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 3ihv_1_B DATA FIRST_RESID 0 DATA SEQUENCE GXXXXXXXXX XXXXXXXXXX XXXXEETRTE VEKKNYXNNA EEAKDVLLGV DATA SEQUENCE YRTNTLDAXY GYYLSILFNL GTDISQVEGS GNENFRIIPT NSFPTTQSEV DATA SEQUENCE QQTWAALYTG IYRANDFLER ISNKIGSYTT TDKKLATLYI AEARALRGXF DATA SEQUENCE YFELVRRFGN VVLXTSTQXS NQNPATYVQS APEKVYEYIE DDLLYACDIL DATA SEQUENCE PYATDDQYRE SNDYRFSKGA ALGLLTKVYA TWAGYPVKDE SKWEAAAKTA DATA SEQUENCE RILVESGKHG LLKDYEQLWK NTCNGTWDPT ESLIEISFYS PTVSGNSDPV DATA SEQUENCE GRIGKWNGVK TTAIAGVRGS CAANVKVVHT FVLDWREDVS DIRRDLSIAN DATA SEQUENCE YQYTDTKKSL WVAGASDTDE SAAEKDADPT KAQKNKQNYT PAKWDIQKYV DATA SEQUENCE TTNSFINNDK SNVNWYFLRY ADVLLLYAEA LNEWKHGPDA EAYNAINAVR DATA SEQUENCE RRGYGNPSNT SACDLPQGLD ETSFREAVRK ERSYELSFEG HRRQDLIRWG DATA SEQUENCE IYYKTVQATA KELGYWWEGT GSPNYSVATY TEEGKHELFP IPQRDXDLCI DATA SEQUENCE QFNQNPKW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 0 G C 0.000 174.914 174.900 0.023 0.000 0.946 0 G CA 0.000 45.100 45.100 0.001 0.000 0.502 25 E N 1.268 121.538 120.200 0.115 0.000 2.267 25 E HA -0.157 4.194 4.350 0.001 0.000 0.197 25 E C 1.557 178.102 176.600 -0.090 0.000 0.998 25 E CA 1.981 58.299 56.400 -0.136 0.000 0.830 25 E CB -0.689 28.696 29.700 -0.524 0.000 0.751 25 E HN 0.341 nan 8.360 nan 0.000 0.491 26 T N -0.193 114.336 114.554 -0.041 0.000 3.081 26 T HA 0.207 4.557 4.350 0.001 0.000 0.255 26 T C 1.431 176.123 174.700 -0.012 0.000 1.113 26 T CA 0.827 62.904 62.100 -0.038 0.000 1.082 26 T CB -0.383 68.461 68.868 -0.041 0.000 0.939 26 T HN 0.385 nan 8.240 nan 0.000 0.506 27 R N 1.890 122.397 120.500 0.013 0.000 2.459 27 R HA 0.628 4.968 4.340 0.001 0.000 0.281 27 R C 0.799 177.117 176.300 0.030 0.000 1.050 27 R CA 0.047 56.156 56.100 0.015 0.000 1.055 27 R CB -0.659 29.651 30.300 0.015 0.000 1.045 27 R HN 0.562 nan 8.270 nan 0.000 0.495 28 T N -1.730 112.835 114.554 0.019 0.000 2.788 28 T HA 0.426 4.777 4.350 0.001 0.000 0.287 28 T C 1.625 176.346 174.700 0.035 0.000 1.007 28 T CA 0.405 62.519 62.100 0.024 0.000 1.005 28 T CB 0.956 69.833 68.868 0.014 0.000 1.012 28 T HN 0.893 nan 8.240 nan 0.000 0.530 29 E N 0.636 120.857 120.200 0.034 0.000 2.077 29 E HA 0.033 4.383 4.350 0.001 0.000 0.193 29 E C 2.516 179.135 176.600 0.032 0.000 0.989 29 E CA 1.835 58.256 56.400 0.034 0.000 0.800 29 E CB -1.642 28.075 29.700 0.028 0.000 0.746 29 E HN 1.031 nan 8.360 nan 0.000 0.452 30 V N 1.137 121.067 119.914 0.026 0.000 2.295 30 V HA -0.285 3.835 4.120 0.001 0.000 0.246 30 V C 2.298 178.413 176.094 0.035 0.000 1.049 30 V CA 2.796 65.112 62.300 0.027 0.000 1.024 30 V CB -0.670 31.165 31.823 0.020 0.000 0.648 30 V HN 0.547 nan 8.190 nan 0.000 0.447 31 E N 0.032 120.249 120.200 0.030 0.000 2.085 31 E HA -0.247 4.103 4.350 0.001 0.000 0.194 31 E C 2.304 178.937 176.600 0.055 0.000 0.994 31 E CA 1.622 58.039 56.400 0.028 0.000 0.801 31 E CB -0.153 29.550 29.700 0.004 0.000 0.743 31 E HN 0.746 nan 8.360 nan 0.000 0.453 32 K N 0.518 120.954 120.400 0.060 0.000 2.057 32 K HA -0.132 4.188 4.320 0.001 0.000 0.206 32 K C 2.507 179.167 176.600 0.101 0.000 1.050 32 K CA 1.599 57.940 56.287 0.089 0.000 0.935 32 K CB -0.184 32.360 32.500 0.072 0.000 0.715 32 K HN 0.013 nan 8.250 nan 0.000 0.439 33 K N 1.583 122.024 120.400 0.069 0.000 2.152 33 K HA -0.112 4.209 4.320 0.001 0.000 0.206 33 K C 1.439 178.085 176.600 0.077 0.000 1.048 33 K CA 1.707 58.028 56.287 0.057 0.000 0.933 33 K CB -0.737 31.786 32.500 0.037 0.000 0.721 33 K HN 0.188 nan 8.250 nan 0.000 0.447 34 N N -0.853 117.906 118.700 0.099 0.000 2.370 34 N HA 0.094 4.834 4.740 0.001 0.000 0.198 34 N C -0.649 174.985 175.510 0.207 0.000 1.156 34 N CA 0.207 53.328 53.050 0.119 0.000 0.839 34 N CB 0.037 38.584 38.487 0.099 0.000 0.989 34 N HN 0.597 nan 8.380 nan 0.000 0.468 38 N N -0.872 117.614 118.700 -0.356 0.000 3.039 38 N HA 0.617 5.358 4.740 0.001 0.000 0.257 38 N C 0.531 175.608 175.510 -0.722 0.000 1.497 38 N CA -0.139 52.480 53.050 -0.718 0.000 0.861 38 N CB 0.217 38.489 38.487 -0.357 0.000 1.479 38 N HN -0.151 nan 8.380 nan 0.000 0.547 39 A N -0.504 121.950 122.820 -0.611 0.000 1.969 39 A HA -0.114 4.206 4.320 0.001 0.000 0.218 39 A C 1.823 179.450 177.584 0.071 0.000 1.169 39 A CA 1.888 53.825 52.037 -0.167 0.000 0.635 39 A CB -0.978 17.974 19.000 -0.081 0.000 0.810 39 A HN 0.780 nan 8.150 nan 0.000 0.445 40 E N 0.440 120.617 120.200 -0.037 0.000 2.072 40 E HA -0.158 4.192 4.350 0.001 0.000 0.191 40 E C 1.881 178.465 176.600 -0.027 0.000 0.985 40 E CA 1.705 58.106 56.400 0.002 0.000 0.801 40 E CB -0.234 29.455 29.700 -0.019 0.000 0.750 40 E HN 0.729 nan 8.360 nan 0.000 0.452 41 E N -0.292 119.817 120.200 -0.151 0.000 2.106 41 E HA -0.130 4.220 4.350 0.001 0.000 0.192 41 E C 2.035 178.581 176.600 -0.090 0.000 0.984 41 E CA 0.796 56.994 56.400 -0.337 0.000 0.806 41 E CB -0.176 29.014 29.700 -0.850 0.000 0.750 41 E HN 0.336 nan 8.360 nan 0.000 0.458 42 A N 2.038 124.890 122.820 0.054 0.000 1.908 42 A HA -0.262 4.059 4.320 0.001 0.000 0.218 42 A C 2.094 179.857 177.584 0.299 0.000 1.181 42 A CA 1.749 53.976 52.037 0.317 0.000 0.627 42 A CB -0.441 18.856 19.000 0.495 0.000 0.818 42 A HN 0.083 nan 8.150 nan 0.000 0.445 43 K N -0.556 119.891 120.400 0.078 0.000 2.063 43 K HA -0.232 4.089 4.320 0.001 0.000 0.208 43 K C 1.383 177.933 176.600 -0.084 0.000 1.048 43 K CA 1.809 57.940 56.287 -0.260 0.000 0.928 43 K CB -0.270 32.083 32.500 -0.245 0.000 0.713 43 K HN 0.386 nan 8.250 nan 0.000 0.442 44 D N 0.267 120.702 120.400 0.059 0.000 2.123 44 D HA -0.148 4.493 4.640 0.001 0.000 0.196 44 D C 1.935 178.322 176.300 0.144 0.000 0.992 44 D CA 1.144 55.214 54.000 0.117 0.000 0.833 44 D CB -0.160 40.773 40.800 0.222 0.000 0.954 44 D HN 0.068 nan 8.370 nan 0.000 0.455 45 V N 1.034 121.096 119.914 0.247 0.000 2.358 45 V HA -0.197 3.923 4.120 0.001 0.000 0.246 45 V C 2.477 178.636 176.094 0.108 0.000 1.047 45 V CA 0.952 63.412 62.300 0.268 0.000 1.035 45 V CB -0.480 31.615 31.823 0.453 0.000 0.658 45 V HN 0.135 nan 8.190 nan 0.000 0.452 46 L N -0.082 121.089 121.223 -0.087 0.000 2.042 46 L HA -0.166 4.175 4.340 0.001 0.000 0.210 46 L C 2.177 178.995 176.870 -0.085 0.000 1.076 46 L CA 1.926 56.502 54.840 -0.439 0.000 0.749 46 L CB -0.547 41.136 42.059 -0.626 0.000 0.893 46 L HN 0.216 nan 8.230 nan 0.000 0.432 47 L N -0.775 120.444 121.223 -0.006 0.000 2.201 47 L HA -0.101 4.240 4.340 0.001 0.000 0.212 47 L C 2.479 179.404 176.870 0.091 0.000 1.105 47 L CA 0.952 55.838 54.840 0.078 0.000 0.775 47 L CB -1.282 40.764 42.059 -0.021 0.000 0.913 47 L HN 0.488 nan 8.230 nan 0.000 0.440 48 G N -0.333 108.501 108.800 0.057 0.000 2.432 48 G HA2 -0.168 3.792 3.960 0.001 0.000 0.219 48 G HA3 -0.168 3.792 3.960 0.001 0.000 0.219 48 G C 1.556 176.491 174.900 0.057 0.000 1.135 48 G CA 0.851 45.984 45.100 0.055 0.000 0.767 48 G HN 0.217 nan 8.290 nan 0.000 0.550 49 V N -0.234 119.699 119.914 0.033 0.000 2.307 49 V HA -0.170 3.950 4.120 0.001 0.000 0.245 49 V C 2.343 178.474 176.094 0.062 0.000 1.045 49 V CA 1.397 63.709 62.300 0.020 0.000 1.024 49 V CB -0.874 30.884 31.823 -0.107 0.000 0.651 49 V HN 0.387 nan 8.190 nan 0.000 0.449 50 Y N 0.469 120.781 120.300 0.020 0.000 2.207 50 Y HA -0.236 4.314 4.550 0.001 0.000 0.287 50 Y C 2.744 178.650 175.900 0.011 0.000 1.156 50 Y CA 2.041 60.157 58.100 0.026 0.000 1.182 50 Y CB -0.416 38.018 38.460 -0.043 0.000 0.979 50 Y HN 0.086 nan 8.280 nan 0.000 0.521 51 R N -0.053 120.530 120.500 0.139 0.000 2.159 51 R HA -0.162 4.179 4.340 0.001 0.000 0.237 51 R C 1.799 178.108 176.300 0.015 0.000 1.131 51 R CA 1.731 57.857 56.100 0.042 0.000 0.982 51 R CB -0.349 29.963 30.300 0.019 0.000 0.868 51 R HN 0.277 nan 8.270 nan 0.000 0.453 52 T N 1.161 115.728 114.554 0.021 0.000 2.737 52 T HA -0.137 4.213 4.350 0.001 0.000 0.269 52 T C 1.379 176.059 174.700 -0.034 0.000 1.040 52 T CA 1.553 63.617 62.100 -0.060 0.000 1.142 52 T CB -0.337 68.432 68.868 -0.164 0.000 0.861 52 T HN 0.368 nan 8.240 nan 0.000 0.456 53 N N 1.191 119.945 118.700 0.090 0.000 2.364 53 N HA -0.079 4.662 4.740 0.001 0.000 0.183 53 N C 2.066 177.648 175.510 0.120 0.000 1.022 53 N CA 1.604 54.775 53.050 0.201 0.000 0.883 53 N CB -0.518 38.112 38.487 0.238 0.000 0.965 53 N HN 0.685 nan 8.380 nan 0.000 0.438 54 T N -1.907 112.643 114.554 -0.007 0.000 3.113 54 T HA 0.166 4.516 4.350 0.001 0.000 0.256 54 T C 1.010 175.801 174.700 0.153 0.000 1.131 54 T CA -0.164 61.955 62.100 0.032 0.000 1.074 54 T CB -0.145 68.665 68.868 -0.098 0.000 0.944 54 T HN -0.003 nan 8.240 nan 0.000 0.516 55 L N 2.019 123.241 121.223 -0.002 0.000 2.506 55 L HA 0.109 4.449 4.340 0.001 0.000 0.281 55 L C 1.871 178.640 176.870 -0.168 0.000 1.228 55 L CA -0.072 54.709 54.840 -0.098 0.000 0.850 55 L CB 0.268 42.227 42.059 -0.167 0.000 1.110 55 L HN 0.112 nan 8.230 nan 0.000 0.496 56 D N 1.342 121.596 120.400 -0.245 0.000 2.123 56 D HA -0.098 4.542 4.640 0.001 0.000 0.196 56 D C 0.976 176.802 176.300 -0.790 0.000 0.992 56 D CA 1.351 55.114 54.000 -0.396 0.000 0.833 56 D CB 0.272 40.866 40.800 -0.344 0.000 0.954 56 D HN 0.650 nan 8.370 nan 0.000 0.455 60 G N -0.230 108.613 108.800 0.072 0.000 2.443 60 G HA2 -0.161 3.799 3.960 0.001 0.000 0.219 60 G HA3 -0.161 3.799 3.960 0.001 0.000 0.219 60 G C 0.967 175.677 174.900 -0.316 0.000 1.131 60 G CA 2.304 47.290 45.100 -0.190 0.000 0.775 60 G HN 0.417 nan 8.290 nan 0.000 0.547 61 Y N -2.557 117.434 120.300 -0.515 0.000 3.215 61 Y HA 0.192 4.742 4.550 0.001 0.000 0.206 61 Y C 1.921 177.518 175.900 -0.505 0.000 1.054 61 Y CA -0.660 57.115 58.100 -0.541 0.000 1.550 61 Y CB -0.372 37.782 38.460 -0.511 0.000 1.434 61 Y HN 0.015 nan 8.280 nan 0.000 0.391 62 Y N 1.217 121.008 120.300 -0.848 0.000 2.153 62 Y HA 0.010 4.560 4.550 0.001 0.000 0.289 62 Y C 2.498 177.696 175.900 -1.170 0.000 1.127 62 Y CA 1.428 58.712 58.100 -1.361 0.000 1.131 62 Y CB -1.101 36.372 38.460 -1.645 0.000 0.995 62 Y HN 0.128 nan 8.280 nan 0.000 0.505 63 L N -0.182 120.617 121.223 -0.707 0.000 2.313 63 L HA -0.104 4.236 4.340 0.001 0.000 0.214 63 L C 2.275 178.996 176.870 -0.247 0.000 1.119 63 L CA 1.200 55.741 54.840 -0.498 0.000 0.809 63 L CB -0.524 41.094 42.059 -0.736 0.000 0.933 63 L HN 0.254 nan 8.230 nan 0.000 0.449 64 S N -0.453 114.991 115.700 -0.426 0.000 2.371 64 S HA 0.059 4.530 4.470 0.001 0.000 0.221 64 S C 1.721 176.021 174.600 -0.501 0.000 1.036 64 S CA 0.513 58.283 58.200 -0.718 0.000 0.965 64 S CB -0.070 62.173 63.200 -1.595 0.000 0.845 64 S HN 0.316 nan 8.310 nan 0.000 0.475 65 I N -0.327 119.987 120.570 -0.426 0.000 3.518 65 I HA 0.240 4.410 4.170 0.001 0.000 0.260 65 I C 2.043 178.077 176.117 -0.138 0.000 1.148 65 I CA 0.087 61.265 61.300 -0.203 0.000 1.440 65 I CB -0.185 37.723 38.000 -0.153 0.000 1.485 65 I HN 0.164 nan 8.210 nan 0.000 0.456 66 L N 0.808 121.799 121.223 -0.386 0.000 2.083 66 L HA -0.071 4.270 4.340 0.001 0.000 0.209 66 L C 1.806 178.709 176.870 0.054 0.000 1.083 66 L CA 2.063 56.682 54.840 -0.367 0.000 0.752 66 L CB -0.427 41.111 42.059 -0.868 0.000 0.899 66 L HN 0.095 nan 8.230 nan 0.000 0.433 67 F N -0.657 119.167 119.950 -0.211 0.000 2.797 67 F HA 0.161 4.688 4.527 0.001 0.000 0.302 67 F C 1.421 177.171 175.800 -0.084 0.000 1.130 67 F CA -0.011 57.907 58.000 -0.136 0.000 1.387 67 F CB -0.860 37.949 39.000 -0.317 0.000 1.107 67 F HN 0.263 nan 8.300 nan 0.000 0.577 68 N N 0.071 118.860 118.700 0.148 0.000 2.200 68 N HA 0.170 4.911 4.740 0.001 0.000 0.224 68 N C 0.281 175.901 175.510 0.183 0.000 1.179 68 N CA 0.165 53.293 53.050 0.130 0.000 0.877 68 N CB 1.142 39.711 38.487 0.137 0.000 1.072 68 N HN 0.194 nan 8.380 nan 0.000 0.519 69 L N -0.486 120.865 121.223 0.212 0.000 2.416 69 L HA 0.534 4.874 4.340 0.001 0.000 0.262 69 L C 1.003 178.019 176.870 0.244 0.000 1.093 69 L CA -0.410 54.579 54.840 0.248 0.000 0.801 69 L CB 0.889 43.111 42.059 0.273 0.000 1.191 69 L HN 0.199 nan 8.230 nan 0.000 0.459 70 G N 0.431 109.376 108.800 0.242 0.000 2.638 70 G HA2 -0.121 3.840 3.960 0.001 0.000 0.269 70 G HA3 -0.121 3.840 3.960 0.001 0.000 0.269 70 G C -0.183 174.900 174.900 0.304 0.000 1.141 70 G CA 0.051 45.276 45.100 0.207 0.000 1.081 70 G HN 0.913 nan 8.290 nan 0.000 0.527 71 T N -3.292 111.444 114.554 0.304 0.000 2.604 71 T HA 0.672 5.023 4.350 0.001 0.000 0.267 71 T C 1.080 175.930 174.700 0.251 0.000 0.923 71 T CA 0.576 62.855 62.100 0.298 0.000 1.077 71 T CB 1.311 70.324 68.868 0.242 0.000 1.392 71 T HN 0.264 nan 8.240 nan 0.000 0.531 72 D N 0.165 120.638 120.400 0.122 0.000 2.363 72 D HA -0.001 4.640 4.640 0.001 0.000 0.220 72 D C 1.618 177.890 176.300 -0.046 0.000 0.994 72 D CA 0.768 54.783 54.000 0.024 0.000 0.890 72 D CB -0.395 40.393 40.800 -0.019 0.000 0.906 72 D HN 0.766 nan 8.370 nan 0.000 0.530 73 I N -2.801 117.725 120.570 -0.072 0.000 4.244 73 I HA 0.250 4.420 4.170 0.001 0.000 0.318 73 I C 0.066 176.346 176.117 0.272 0.000 1.282 73 I CA -0.187 61.005 61.300 -0.179 0.000 1.276 73 I CB 0.552 38.075 38.000 -0.796 0.000 1.183 73 I HN 0.004 nan 8.210 nan 0.000 0.431 74 S N 1.124 117.007 115.700 0.304 0.000 2.570 74 S HA 0.691 5.162 4.470 0.001 0.000 0.270 74 S C -1.012 173.777 174.600 0.314 0.000 1.149 74 S CA -0.596 57.836 58.200 0.386 0.000 0.837 74 S CB 2.050 65.564 63.200 0.523 0.000 1.124 74 S HN 0.561 nan 8.310 nan 0.000 0.465 75 Q N 0.156 120.121 119.800 0.275 0.000 2.534 75 Q HA 0.755 5.095 4.340 0.001 0.000 0.290 75 Q C -1.490 174.637 176.000 0.211 0.000 0.991 75 Q CA -1.174 54.766 55.803 0.228 0.000 0.783 75 Q CB 1.611 30.475 28.738 0.210 0.000 1.470 75 Q HN 0.708 nan 8.270 nan 0.000 0.406 76 V N 1.038 121.079 119.914 0.211 0.000 2.924 76 V HA 0.088 4.209 4.120 0.001 0.000 0.305 76 V C 0.273 176.449 176.094 0.137 0.000 1.073 76 V CA -0.026 62.415 62.300 0.233 0.000 1.098 76 V CB 1.387 33.405 31.823 0.324 0.000 1.000 76 V HN 0.858 nan 8.190 nan 0.000 0.484 77 E N 3.281 123.548 120.200 0.111 0.000 2.437 77 E HA 0.389 4.740 4.350 0.001 0.000 0.263 77 E C 0.173 176.800 176.600 0.045 0.000 1.030 77 E CA 1.114 57.547 56.400 0.055 0.000 0.934 77 E CB 0.684 30.413 29.700 0.048 0.000 0.943 77 E HN 1.355 nan 8.360 nan 0.000 0.444 78 G N 2.219 111.025 108.800 0.010 0.000 2.655 78 G HA2 -0.216 3.745 3.960 0.001 0.000 0.680 78 G HA3 -0.216 3.745 3.960 0.001 0.000 0.680 78 G C 0.372 175.264 174.900 -0.013 0.000 1.302 78 G CA 0.192 45.287 45.100 -0.008 0.000 0.872 78 G HN 0.736 nan 8.290 nan 0.000 0.540 79 S N -0.966 114.721 115.700 -0.021 0.000 2.503 79 S HA 0.544 5.015 4.470 0.001 0.000 0.215 79 S C 1.338 175.928 174.600 -0.017 0.000 1.003 79 S CA 1.313 59.497 58.200 -0.027 0.000 0.910 79 S CB 0.604 63.784 63.200 -0.034 0.000 0.790 79 S HN 2.073 nan 8.310 nan 0.000 0.514 80 G N 1.937 110.727 108.800 -0.016 0.000 3.217 80 G HA2 0.459 4.420 3.960 0.001 0.000 0.213 80 G HA3 0.459 4.420 3.960 0.001 0.000 0.213 80 G C -0.267 174.629 174.900 -0.007 0.000 1.294 80 G CA -0.331 44.774 45.100 0.007 0.000 0.987 80 G HN 0.323 nan 8.290 nan 0.000 0.584 81 N N -0.290 118.402 118.700 -0.014 0.000 2.282 81 N HA 0.155 4.895 4.740 0.001 0.000 0.240 81 N C -0.457 174.973 175.510 -0.134 0.000 1.182 81 N CA -0.248 52.751 53.050 -0.086 0.000 0.874 81 N CB 0.572 38.952 38.487 -0.178 0.000 1.126 81 N HN 0.358 nan 8.380 nan 0.000 0.516 82 E N 1.101 121.214 120.200 -0.145 0.000 2.390 82 E HA 0.266 4.616 4.350 0.001 0.000 0.261 82 E C 0.648 177.101 176.600 -0.244 0.000 1.076 82 E CA -0.432 55.875 56.400 -0.154 0.000 0.905 82 E CB 0.569 30.194 29.700 -0.126 0.000 0.984 82 E HN 0.087 nan 8.360 nan 0.000 0.427 83 N N 0.465 119.073 118.700 -0.152 0.000 1.241 83 N HA -0.328 4.412 4.740 0.001 0.000 0.135 83 N C 1.003 176.468 175.510 -0.073 0.000 0.723 83 N CA 2.104 55.092 53.050 -0.105 0.000 0.950 83 N CB -1.298 37.130 38.487 -0.097 0.000 1.215 83 N HN 0.622 nan 8.380 nan 0.000 0.520 84 F N 0.986 121.014 119.950 0.131 0.000 2.722 84 F HA 0.247 4.774 4.527 0.001 0.000 0.298 84 F C 2.043 177.957 175.800 0.190 0.000 1.175 84 F CA 0.614 58.734 58.000 0.199 0.000 1.462 84 F CB -0.406 38.837 39.000 0.405 0.000 1.111 84 F HN 0.144 nan 8.300 nan 0.000 0.592 85 R N 0.541 120.929 120.500 -0.186 0.000 2.299 85 R HA 0.149 4.489 4.340 0.001 0.000 0.197 85 R C 2.168 178.458 176.300 -0.017 0.000 0.971 85 R CA 0.519 56.587 56.100 -0.053 0.000 1.030 85 R CB -0.309 29.871 30.300 -0.200 0.000 0.932 85 R HN 0.467 nan 8.270 nan 0.000 0.477 86 I N 0.964 121.509 120.570 -0.043 0.000 2.226 86 I HA -0.294 3.877 4.170 0.001 0.000 0.245 86 I C 1.832 177.947 176.117 -0.003 0.000 1.100 86 I CA 1.584 62.852 61.300 -0.053 0.000 1.374 86 I CB 0.130 38.101 38.000 -0.048 0.000 1.057 86 I HN 0.139 nan 8.210 nan 0.000 0.413 87 I N 1.101 121.612 120.570 -0.098 0.000 2.233 87 I HA -0.134 4.037 4.170 0.001 0.000 0.243 87 I C -0.602 175.511 176.117 -0.007 0.000 1.093 87 I CA 1.026 62.155 61.300 -0.285 0.000 1.380 87 I CB -1.662 36.000 38.000 -0.564 0.000 1.067 87 I HN 0.173 nan 8.210 nan 0.000 0.413 88 P HA -0.117 nan 4.420 nan 0.000 0.225 88 P C 1.201 178.568 177.300 0.111 0.000 1.148 88 P CA 1.342 64.531 63.100 0.149 0.000 0.779 88 P CB -0.219 31.617 31.700 0.227 0.000 0.780 89 T N -6.143 108.450 114.554 0.064 0.000 3.086 89 T HA 0.125 4.476 4.350 0.001 0.000 0.250 89 T C 0.588 175.279 174.700 -0.015 0.000 1.074 89 T CA -0.345 61.769 62.100 0.024 0.000 0.988 89 T CB -0.905 67.969 68.868 0.011 0.000 0.988 89 T HN -0.099 nan 8.240 nan 0.000 0.530 90 N N 1.454 120.160 118.700 0.010 0.000 2.740 90 N HA -0.144 4.597 4.740 0.001 0.000 0.248 90 N C 0.396 175.729 175.510 -0.295 0.000 1.062 90 N CA 1.136 54.051 53.050 -0.225 0.000 0.704 90 N CB -1.775 36.291 38.487 -0.702 0.000 0.968 90 N HN 0.821 nan 8.380 nan 0.000 0.547 91 S N -1.673 113.918 115.700 -0.182 0.000 2.741 91 S HA 0.342 4.812 4.470 0.001 0.000 0.247 91 S C 0.090 174.597 174.600 -0.155 0.000 1.050 91 S CA -0.879 57.087 58.200 -0.390 0.000 1.025 91 S CB -0.408 62.157 63.200 -1.058 0.000 0.897 91 S HN 0.314 nan 8.310 nan 0.000 0.508 92 F N 1.022 120.911 119.950 -0.102 0.000 2.432 92 F HA 0.926 5.454 4.527 0.001 0.000 0.329 92 F C -2.595 173.251 175.800 0.077 0.000 1.076 92 F CA -2.873 55.089 58.000 -0.064 0.000 1.018 92 F CB 0.065 38.983 39.000 -0.137 0.000 1.201 92 F HN -0.132 nan 8.300 nan 0.000 0.489 93 P HA 0.175 nan 4.420 nan 0.000 0.281 93 P C 0.448 177.841 177.300 0.156 0.000 1.281 93 P CA -0.282 62.898 63.100 0.134 0.000 0.811 93 P CB 1.209 32.951 31.700 0.071 0.000 1.154 94 T N -4.115 110.502 114.554 0.106 0.000 2.977 94 T HA -0.113 4.237 4.350 0.001 0.000 0.271 94 T C 1.352 176.031 174.700 -0.034 0.000 1.105 94 T CA 1.782 63.876 62.100 -0.010 0.000 1.116 94 T CB -1.607 67.263 68.868 0.004 0.000 0.878 94 T HN 0.558 nan 8.240 nan 0.000 0.509 95 T N -1.807 112.748 114.554 0.002 0.000 3.129 95 T HA 0.198 4.548 4.350 0.001 0.000 0.251 95 T C 0.667 175.362 174.700 -0.008 0.000 1.117 95 T CA -0.383 61.709 62.100 -0.012 0.000 1.034 95 T CB -0.284 68.582 68.868 -0.003 0.000 0.968 95 T HN 0.326 nan 8.240 nan 0.000 0.526 96 Q N 1.774 121.580 119.800 0.010 0.000 2.247 96 Q HA 0.224 4.565 4.340 0.001 0.000 0.288 96 Q C 1.205 177.174 176.000 -0.052 0.000 1.079 96 Q CA 0.174 55.963 55.803 -0.023 0.000 0.932 96 Q CB 0.496 29.209 28.738 -0.043 0.000 1.133 96 Q HN 0.274 nan 8.270 nan 0.000 0.377 97 S N 3.441 119.118 115.700 -0.037 0.000 2.370 97 S HA -0.207 4.264 4.470 0.001 0.000 0.226 97 S C 1.102 175.711 174.600 0.014 0.000 1.033 97 S CA 1.630 59.827 58.200 -0.005 0.000 1.011 97 S CB -0.113 63.095 63.200 0.012 0.000 0.852 97 S HN 0.717 nan 8.310 nan 0.000 0.457 98 E N 0.880 121.041 120.200 -0.066 0.000 2.118 98 E HA -0.100 4.250 4.350 0.001 0.000 0.195 98 E C 2.060 178.746 176.600 0.143 0.000 0.992 98 E CA 0.911 57.247 56.400 -0.107 0.000 0.804 98 E CB -0.472 28.851 29.700 -0.628 0.000 0.741 98 E HN 0.291 nan 8.360 nan 0.000 0.458 99 V N 0.814 120.760 119.914 0.052 0.000 2.295 99 V HA -0.309 3.811 4.120 0.001 0.000 0.246 99 V C 2.485 178.745 176.094 0.277 0.000 1.049 99 V CA 2.128 64.537 62.300 0.181 0.000 1.024 99 V CB -0.568 31.245 31.823 -0.017 0.000 0.648 99 V HN 0.313 nan 8.190 nan 0.000 0.447 100 Q N -0.326 119.551 119.800 0.128 0.000 2.084 100 Q HA -0.284 4.056 4.340 0.001 0.000 0.202 100 Q C 2.358 178.474 176.000 0.193 0.000 0.978 100 Q CA 2.028 57.893 55.803 0.103 0.000 0.844 100 Q CB -0.092 28.662 28.738 0.028 0.000 0.898 100 Q HN 0.708 nan 8.270 nan 0.000 0.426 101 Q N -0.791 119.127 119.800 0.198 0.000 2.124 101 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 101 Q C 2.019 178.131 176.000 0.186 0.000 0.977 101 Q CA 1.889 57.802 55.803 0.184 0.000 0.850 101 Q CB 0.048 28.923 28.738 0.228 0.000 0.901 101 Q HN 0.362 nan 8.270 nan 0.000 0.429 102 T N 0.298 115.040 114.554 0.314 0.000 2.812 102 T HA -0.160 4.191 4.350 0.001 0.000 0.264 102 T C 1.060 175.887 174.700 0.212 0.000 1.042 102 T CA 0.770 63.025 62.100 0.259 0.000 1.140 102 T CB -0.317 68.832 68.868 0.468 0.000 0.870 102 T HN 0.489 nan 8.240 nan 0.000 0.445 103 W N 2.240 123.574 121.300 0.055 0.000 2.318 103 W HA -0.206 4.455 4.660 0.001 0.000 0.313 103 W C 2.442 178.938 176.519 -0.039 0.000 1.221 103 W CA 1.593 58.848 57.345 -0.150 0.000 1.266 103 W CB -0.597 28.698 29.460 -0.276 0.000 1.150 103 W HN 0.294 nan 8.180 nan 0.000 0.496 104 A N 0.778 123.736 122.820 0.229 0.000 1.933 104 A HA -0.042 4.278 4.320 0.001 0.000 0.218 104 A C 2.176 179.725 177.584 -0.058 0.000 1.175 104 A CA 2.594 54.690 52.037 0.099 0.000 0.628 104 A CB -1.278 17.783 19.000 0.101 0.000 0.814 104 A HN 0.335 nan 8.150 nan 0.000 0.444 105 A N -0.310 122.452 122.820 -0.097 0.000 1.898 105 A HA 0.011 4.331 4.320 0.001 0.000 0.216 105 A C 2.166 179.525 177.584 -0.374 0.000 1.181 105 A CA 1.393 53.303 52.037 -0.211 0.000 0.620 105 A CB -0.550 18.323 19.000 -0.211 0.000 0.819 105 A HN 0.459 nan 8.150 nan 0.000 0.442 106 L N -2.170 118.801 121.223 -0.420 0.000 2.017 106 L HA -0.202 4.138 4.340 0.001 0.000 0.208 106 L C 2.547 178.971 176.870 -0.744 0.000 1.073 106 L CA 1.448 55.893 54.840 -0.659 0.000 0.745 106 L CB -0.648 41.048 42.059 -0.606 0.000 0.894 106 L HN 0.443 nan 8.230 nan 0.000 0.432 107 Y N -0.104 119.881 120.300 -0.525 0.000 2.274 107 Y HA -0.222 4.328 4.550 0.001 0.000 0.290 107 Y C 2.794 178.524 175.900 -0.284 0.000 1.145 107 Y CA 1.532 59.363 58.100 -0.448 0.000 1.203 107 Y CB -0.882 37.292 38.460 -0.477 0.000 0.984 107 Y HN 0.138 nan 8.280 nan 0.000 0.533 108 T N -0.945 113.511 114.554 -0.163 0.000 2.777 108 T HA -0.141 4.210 4.350 0.001 0.000 0.266 108 T C 2.285 176.892 174.700 -0.154 0.000 1.040 108 T CA 1.379 63.400 62.100 -0.132 0.000 1.141 108 T CB -0.852 67.918 68.868 -0.164 0.000 0.868 108 T HN 0.559 nan 8.240 nan 0.000 0.444 109 G N 1.296 109.839 108.800 -0.428 0.000 2.418 109 G HA2 -0.152 3.808 3.960 0.001 0.000 0.217 109 G HA3 -0.152 3.808 3.960 0.001 0.000 0.217 109 G C 1.529 176.358 174.900 -0.118 0.000 1.158 109 G CA 0.550 45.298 45.100 -0.586 0.000 0.771 109 G HN 0.486 nan 8.290 nan 0.000 0.545 110 I N -0.751 119.720 120.570 -0.166 0.000 2.226 110 I HA -0.173 3.997 4.170 0.001 0.000 0.245 110 I C 2.437 178.603 176.117 0.082 0.000 1.100 110 I CA 1.201 62.503 61.300 0.003 0.000 1.374 110 I CB -0.280 37.564 38.000 -0.261 0.000 1.057 110 I HN 0.248 nan 8.210 nan 0.000 0.413 111 Y N 1.943 122.225 120.300 -0.029 0.000 2.128 111 Y HA -0.279 4.271 4.550 0.001 0.000 0.284 111 Y C 2.688 178.610 175.900 0.036 0.000 1.154 111 Y CA 1.647 59.752 58.100 0.008 0.000 1.149 111 Y CB -0.235 38.217 38.460 -0.014 0.000 0.976 111 Y HN -0.030 nan 8.280 nan 0.000 0.505 112 R N -0.115 120.526 120.500 0.235 0.000 2.081 112 R HA -0.140 4.201 4.340 0.001 0.000 0.235 112 R C 2.556 178.925 176.300 0.116 0.000 1.131 112 R CA 1.197 57.404 56.100 0.179 0.000 0.960 112 R CB -0.646 29.745 30.300 0.153 0.000 0.856 112 R HN 0.450 nan 8.270 nan 0.000 0.436 113 A N 1.600 124.491 122.820 0.118 0.000 1.877 113 A HA -0.188 4.133 4.320 0.001 0.000 0.216 113 A C 1.757 179.401 177.584 0.100 0.000 1.186 113 A CA 1.523 53.624 52.037 0.107 0.000 0.620 113 A CB -0.508 18.547 19.000 0.092 0.000 0.822 113 A HN 0.235 nan 8.150 nan 0.000 0.443 114 N N 0.251 118.970 118.700 0.031 0.000 2.061 114 N HA -0.197 4.543 4.740 0.001 0.000 0.193 114 N C 1.492 176.950 175.510 -0.088 0.000 1.030 114 N CA 1.858 54.890 53.050 -0.031 0.000 0.856 114 N CB -0.626 37.808 38.487 -0.088 0.000 1.023 114 N HN 0.684 nan 8.380 nan 0.000 0.424 115 D N -0.326 119.968 120.400 -0.176 0.000 2.097 115 D HA -0.153 4.488 4.640 0.001 0.000 0.195 115 D C 1.879 178.168 176.300 -0.018 0.000 0.989 115 D CA 0.743 54.644 54.000 -0.165 0.000 0.827 115 D CB -0.244 40.440 40.800 -0.194 0.000 0.966 115 D HN 0.210 nan 8.370 nan 0.000 0.456 116 F N 0.647 120.570 119.950 -0.045 0.000 2.095 116 F HA -0.119 4.409 4.527 0.001 0.000 0.298 116 F C 1.910 177.703 175.800 -0.011 0.000 1.104 116 F CA 1.391 59.392 58.000 0.002 0.000 1.232 116 F CB -0.303 38.708 39.000 0.018 0.000 0.987 116 F HN 0.008 nan 8.300 nan 0.000 0.475 117 L N 0.091 121.320 121.223 0.010 0.000 2.046 117 L HA -0.205 4.135 4.340 0.001 0.000 0.208 117 L C 2.408 179.178 176.870 -0.167 0.000 1.077 117 L CA 1.767 56.555 54.840 -0.087 0.000 0.747 117 L CB -0.837 41.224 42.059 0.003 0.000 0.896 117 L HN 0.171 nan 8.230 nan 0.000 0.432 118 E N -0.106 120.019 120.200 -0.126 0.000 2.058 118 E HA -0.228 4.123 4.350 0.001 0.000 0.194 118 E C 2.375 178.888 176.600 -0.144 0.000 0.997 118 E CA 1.218 57.547 56.400 -0.118 0.000 0.801 118 E CB -0.042 29.600 29.700 -0.097 0.000 0.746 118 E HN 0.396 nan 8.360 nan 0.000 0.450 119 R N 0.372 120.769 120.500 -0.172 0.000 2.062 119 R HA -0.011 4.329 4.340 0.001 0.000 0.229 119 R C 2.490 178.652 176.300 -0.230 0.000 1.128 119 R CA 0.896 56.898 56.100 -0.163 0.000 0.960 119 R CB -0.301 29.928 30.300 -0.119 0.000 0.855 119 R HN 0.177 nan 8.270 nan 0.000 0.432 120 I N 0.543 120.882 120.570 -0.384 0.000 2.361 120 I HA -0.274 3.896 4.170 0.001 0.000 0.251 120 I C 2.272 178.208 176.117 -0.301 0.000 1.133 120 I CA 1.060 62.125 61.300 -0.392 0.000 1.413 120 I CB -0.050 37.601 38.000 -0.581 0.000 1.073 120 I HN 0.159 nan 8.210 nan 0.000 0.424 121 S N 1.088 116.644 115.700 -0.240 0.000 2.400 121 S HA -0.192 4.279 4.470 0.001 0.000 0.232 121 S C 1.641 176.137 174.600 -0.173 0.000 1.025 121 S CA 1.793 59.883 58.200 -0.183 0.000 0.993 121 S CB -0.312 62.803 63.200 -0.142 0.000 0.808 121 S HN 0.542 nan 8.310 nan 0.000 0.478 122 N N 0.328 118.929 118.700 -0.165 0.000 2.412 122 N HA 0.128 4.869 4.740 0.001 0.000 0.184 122 N C 1.244 176.657 175.510 -0.162 0.000 1.101 122 N CA 0.394 53.363 53.050 -0.135 0.000 0.881 122 N CB 0.153 38.583 38.487 -0.096 0.000 0.969 122 N HN 0.381 nan 8.380 nan 0.000 0.459 123 K N 0.510 120.762 120.400 -0.247 0.000 2.350 123 K HA 0.230 4.550 4.320 0.001 0.000 0.196 123 K C 1.828 178.009 176.600 -0.697 0.000 1.084 123 K CA -0.196 55.896 56.287 -0.324 0.000 0.967 123 K CB 0.261 32.623 32.500 -0.230 0.000 0.950 123 K HN 0.093 nan 8.250 nan 0.000 0.512 124 I N 1.467 121.583 120.570 -0.758 0.000 2.264 124 I HA -0.226 3.944 4.170 0.001 0.000 0.248 124 I C 1.894 177.731 176.117 -0.467 0.000 1.111 124 I CA 1.569 62.352 61.300 -0.862 0.000 1.382 124 I CB -0.267 37.464 38.000 -0.448 0.000 1.060 124 I HN 0.181 nan 8.210 nan 0.000 0.418 125 G N -0.189 108.444 108.800 -0.279 0.000 2.450 125 G HA2 -0.323 3.637 3.960 0.001 0.000 0.220 125 G HA3 -0.323 3.637 3.960 0.001 0.000 0.220 125 G C 1.640 176.489 174.900 -0.085 0.000 1.130 125 G CA 1.005 46.021 45.100 -0.141 0.000 0.760 125 G HN 0.573 nan 8.290 nan 0.000 0.557 126 S N -1.137 114.509 115.700 -0.090 0.000 2.528 126 S HA 0.228 4.699 4.470 0.001 0.000 0.219 126 S C 0.662 175.370 174.600 0.180 0.000 0.985 126 S CA -0.480 57.741 58.200 0.035 0.000 0.914 126 S CB -0.162 63.071 63.200 0.054 0.000 0.776 126 S HN 0.157 nan 8.310 nan 0.000 0.526 127 Y N 3.833 124.114 120.300 -0.031 0.000 2.314 127 Y HA 0.378 4.928 4.550 0.001 0.000 0.334 127 Y C 1.600 177.485 175.900 -0.025 0.000 1.266 127 Y CA -1.426 56.657 58.100 -0.029 0.000 1.391 127 Y CB -0.052 38.386 38.460 -0.036 0.000 1.306 127 Y HN 0.245 nan 8.280 nan 0.000 0.558 128 T N -2.533 112.094 114.554 0.122 0.000 2.802 128 T HA 0.029 4.380 4.350 0.001 0.000 0.305 128 T C 1.258 175.994 174.700 0.059 0.000 1.053 128 T CA -0.037 62.098 62.100 0.058 0.000 1.058 128 T CB 0.414 69.292 68.868 0.016 0.000 0.988 128 T HN 0.647 nan 8.240 nan 0.000 0.539 129 T N 1.623 116.198 114.554 0.035 0.000 2.665 129 T HA -0.163 4.188 4.350 0.001 0.000 0.268 129 T C 2.170 176.881 174.700 0.019 0.000 1.035 129 T CA 2.214 64.328 62.100 0.024 0.000 1.151 129 T CB -1.016 67.863 68.868 0.019 0.000 0.862 129 T HN 0.826 nan 8.240 nan 0.000 0.438 130 T N 1.706 116.272 114.554 0.020 0.000 2.746 130 T HA -0.114 4.237 4.350 0.001 0.000 0.267 130 T C 1.687 176.384 174.700 -0.006 0.000 1.039 130 T CA 1.417 63.528 62.100 0.018 0.000 1.142 130 T CB -0.452 68.430 68.868 0.024 0.000 0.866 130 T HN 0.338 nan 8.240 nan 0.000 0.444 131 D N 0.737 121.133 120.400 -0.007 0.000 2.183 131 D HA 0.021 4.661 4.640 0.001 0.000 0.203 131 D C 2.161 178.510 176.300 0.082 0.000 0.969 131 D CA 0.766 54.749 54.000 -0.029 0.000 0.842 131 D CB -0.118 40.589 40.800 -0.156 0.000 0.957 131 D HN 0.343 nan 8.370 nan 0.000 0.484 132 K N 0.354 120.820 120.400 0.111 0.000 2.097 132 K HA -0.160 4.160 4.320 0.001 0.000 0.206 132 K C 1.948 178.525 176.600 -0.039 0.000 1.049 132 K CA 0.967 57.297 56.287 0.073 0.000 0.933 132 K CB 0.053 32.569 32.500 0.026 0.000 0.717 132 K HN -0.088 nan 8.250 nan 0.000 0.442 133 K N 1.711 122.056 120.400 -0.091 0.000 2.002 133 K HA -0.088 4.232 4.320 0.001 0.000 0.209 133 K C 1.842 178.276 176.600 -0.276 0.000 1.048 133 K CA 1.302 57.466 56.287 -0.205 0.000 0.930 133 K CB -0.462 31.887 32.500 -0.252 0.000 0.714 133 K HN 0.033 nan 8.250 nan 0.000 0.438 134 L N 0.281 121.338 121.223 -0.276 0.000 2.042 134 L HA -0.200 4.141 4.340 0.001 0.000 0.210 134 L C 2.488 178.913 176.870 -0.743 0.000 1.076 134 L CA 1.473 56.005 54.840 -0.513 0.000 0.749 134 L CB -0.719 41.056 42.059 -0.473 0.000 0.893 134 L HN 0.322 nan 8.230 nan 0.000 0.432 135 A N 0.117 122.731 122.820 -0.344 0.000 1.908 135 A HA -0.270 4.051 4.320 0.001 0.000 0.218 135 A C 2.456 180.030 177.584 -0.017 0.000 1.181 135 A CA 2.513 54.502 52.037 -0.080 0.000 0.627 135 A CB -1.084 17.995 19.000 0.131 0.000 0.818 135 A HN 0.566 nan 8.150 nan 0.000 0.445 136 T N -1.575 112.944 114.554 -0.057 0.000 2.821 136 T HA -0.053 4.298 4.350 0.001 0.000 0.267 136 T C 1.831 176.569 174.700 0.063 0.000 1.046 136 T CA 1.354 63.471 62.100 0.029 0.000 1.139 136 T CB -0.571 68.281 68.868 -0.026 0.000 0.871 136 T HN 0.321 nan 8.240 nan 0.000 0.454 137 L N -0.742 120.449 121.223 -0.054 0.000 2.046 137 L HA -0.040 4.301 4.340 0.001 0.000 0.208 137 L C 2.854 179.868 176.870 0.241 0.000 1.077 137 L CA 1.527 56.393 54.840 0.043 0.000 0.747 137 L CB -0.808 41.248 42.059 -0.006 0.000 0.896 137 L HN 0.220 nan 8.230 nan 0.000 0.432 138 Y N 0.049 120.446 120.300 0.161 0.000 2.224 138 Y HA -0.179 4.372 4.550 0.001 0.000 0.289 138 Y C 2.504 178.536 175.900 0.220 0.000 1.146 138 Y CA 0.356 58.565 58.100 0.182 0.000 1.182 138 Y CB -1.005 37.645 38.460 0.316 0.000 0.983 138 Y HN 0.096 nan 8.280 nan 0.000 0.524 139 I N -0.092 120.741 120.570 0.438 0.000 2.163 139 I HA -0.357 3.814 4.170 0.001 0.000 0.243 139 I C 2.591 178.805 176.117 0.162 0.000 1.085 139 I CA 1.471 62.951 61.300 0.300 0.000 1.347 139 I CB -0.622 37.475 38.000 0.162 0.000 1.044 139 I HN 0.153 nan 8.210 nan 0.000 0.408 140 A N 0.222 123.204 122.820 0.269 0.000 1.933 140 A HA -0.228 4.092 4.320 0.001 0.000 0.218 140 A C 2.202 179.800 177.584 0.023 0.000 1.175 140 A CA 1.732 53.911 52.037 0.237 0.000 0.628 140 A CB -0.575 18.559 19.000 0.223 0.000 0.814 140 A HN 0.474 nan 8.150 nan 0.000 0.444 141 E N -0.275 119.959 120.200 0.058 0.000 2.047 141 E HA -0.102 4.248 4.350 0.001 0.000 0.191 141 E C 2.350 178.798 176.600 -0.252 0.000 0.987 141 E CA 0.933 57.319 56.400 -0.024 0.000 0.799 141 E CB -0.299 29.500 29.700 0.164 0.000 0.752 141 E HN 0.614 nan 8.360 nan 0.000 0.449 142 A N 1.557 124.249 122.820 -0.214 0.000 1.933 142 A HA -0.187 4.133 4.320 0.001 0.000 0.218 142 A C 2.074 179.511 177.584 -0.244 0.000 1.175 142 A CA 1.231 53.109 52.037 -0.264 0.000 0.628 142 A CB -0.357 18.571 19.000 -0.121 0.000 0.814 142 A HN 0.072 nan 8.150 nan 0.000 0.444 143 R N -0.656 119.719 120.500 -0.208 0.000 2.075 143 R HA -0.035 4.306 4.340 0.001 0.000 0.232 143 R C 2.508 178.601 176.300 -0.345 0.000 1.126 143 R CA 1.108 57.062 56.100 -0.242 0.000 0.963 143 R CB -0.449 29.700 30.300 -0.251 0.000 0.858 143 R HN 0.509 nan 8.270 nan 0.000 0.435 144 A N 1.346 123.870 122.820 -0.492 0.000 1.902 144 A HA -0.136 4.184 4.320 0.001 0.000 0.217 144 A C 2.187 179.255 177.584 -0.860 0.000 1.181 144 A CA 1.161 52.700 52.037 -0.830 0.000 0.623 144 A CB -0.526 17.569 19.000 -1.507 0.000 0.818 144 A HN 0.166 nan 8.150 nan 0.000 0.443 145 L N -1.237 119.509 121.223 -0.795 0.000 2.046 145 L HA -0.177 4.163 4.340 0.001 0.000 0.208 145 L C 2.794 179.036 176.870 -1.046 0.000 1.077 145 L CA 1.764 56.093 54.840 -0.852 0.000 0.747 145 L CB -0.417 41.151 42.059 -0.818 0.000 0.896 145 L HN 0.432 nan 8.230 nan 0.000 0.432 146 R N 0.257 120.422 120.500 -0.558 0.000 2.091 146 R HA -0.087 4.254 4.340 0.001 0.000 0.238 146 R C 1.307 177.584 176.300 -0.039 0.000 1.136 146 R CA 0.969 56.952 56.100 -0.195 0.000 0.959 146 R CB -0.440 29.872 30.300 0.021 0.000 0.856 146 R HN 0.380 nan 8.270 nan 0.000 0.437 150 Y N 0.275 120.604 120.300 0.049 0.000 2.293 150 Y HA -0.160 4.390 4.550 0.001 0.000 0.291 150 Y C 2.498 178.381 175.900 -0.028 0.000 1.137 150 Y CA 1.927 59.987 58.100 -0.066 0.000 1.202 150 Y CB -0.580 37.844 38.460 -0.059 0.000 0.990 150 Y HN 0.145 nan 8.280 nan 0.000 0.537 151 F N 1.257 121.231 119.950 0.039 0.000 2.134 151 F HA -0.189 4.338 4.527 0.001 0.000 0.299 151 F C 2.135 177.962 175.800 0.045 0.000 1.097 151 F CA 1.567 59.563 58.000 -0.007 0.000 1.264 151 F CB -0.372 38.681 39.000 0.088 0.000 1.001 151 F HN -0.029 nan 8.300 nan 0.000 0.479 152 E N 0.663 120.849 120.200 -0.022 0.000 2.058 152 E HA -0.216 4.134 4.350 0.001 0.000 0.194 152 E C 2.518 179.077 176.600 -0.069 0.000 0.997 152 E CA 1.492 57.832 56.400 -0.101 0.000 0.801 152 E CB -0.782 28.936 29.700 0.029 0.000 0.746 152 E HN 0.453 nan 8.360 nan 0.000 0.450 153 L N 0.244 121.440 121.223 -0.044 0.000 1.994 153 L HA -0.170 4.171 4.340 0.001 0.000 0.208 153 L C 2.671 179.586 176.870 0.076 0.000 1.071 153 L CA 0.939 55.794 54.840 0.026 0.000 0.745 153 L CB -0.537 41.370 42.059 -0.253 0.000 0.892 153 L HN 0.033 nan 8.230 nan 0.000 0.431 154 V N 0.810 120.695 119.914 -0.049 0.000 2.358 154 V HA -0.265 3.855 4.120 0.001 0.000 0.246 154 V C 2.817 178.872 176.094 -0.066 0.000 1.047 154 V CA 2.160 64.405 62.300 -0.092 0.000 1.035 154 V CB -0.447 31.185 31.823 -0.319 0.000 0.658 154 V HN 0.582 nan 8.190 nan 0.000 0.452 155 R N -0.348 120.057 120.500 -0.158 0.000 2.115 155 R HA -0.062 4.279 4.340 0.001 0.000 0.226 155 R C 2.220 178.429 176.300 -0.152 0.000 1.100 155 R CA 1.374 57.388 56.100 -0.143 0.000 0.980 155 R CB -0.502 29.604 30.300 -0.324 0.000 0.875 155 R HN 0.392 nan 8.270 nan 0.000 0.445 156 R N -0.810 119.565 120.500 -0.208 0.000 2.140 156 R HA 0.131 4.471 4.340 0.001 0.000 0.213 156 R C 1.082 177.119 176.300 -0.438 0.000 1.059 156 R CA 0.937 56.790 56.100 -0.412 0.000 1.000 156 R CB 0.112 30.047 30.300 -0.609 0.000 0.910 156 R HN 0.227 nan 8.270 nan 0.000 0.455 157 F N -1.327 118.619 119.950 -0.005 0.000 2.727 157 F HA 0.322 4.849 4.527 0.001 0.000 0.302 157 F C 1.762 177.596 175.800 0.057 0.000 1.107 157 F CA 0.502 58.546 58.000 0.073 0.000 1.277 157 F CB 0.799 39.955 39.000 0.259 0.000 1.079 157 F HN 0.172 nan 8.300 nan 0.000 0.594 158 G N 0.489 109.396 108.800 0.179 0.000 2.779 158 G HA2 -0.310 3.651 3.960 0.001 0.000 0.230 158 G HA3 -0.310 3.651 3.960 0.001 0.000 0.230 158 G C 0.355 175.314 174.900 0.099 0.000 1.243 158 G CA 0.375 45.548 45.100 0.120 0.000 0.769 158 G HN 0.312 nan 8.290 nan 0.000 0.516 159 N N 0.750 119.518 118.700 0.113 0.000 2.664 159 N HA 0.506 5.246 4.740 0.001 0.000 0.257 159 N C -0.210 175.319 175.510 0.032 0.000 1.108 159 N CA 0.534 53.611 53.050 0.044 0.000 0.822 159 N CB 2.116 40.612 38.487 0.016 0.000 1.199 159 N HN 1.027 nan 8.380 nan 0.000 0.529 160 V N -1.263 118.672 119.914 0.034 0.000 3.113 160 V HA 0.664 4.784 4.120 0.001 0.000 0.316 160 V C 0.020 176.117 176.094 0.006 0.000 1.125 160 V CA -0.729 61.605 62.300 0.057 0.000 1.026 160 V CB 1.785 33.633 31.823 0.041 0.000 1.080 160 V HN 0.018 nan 8.190 nan 0.000 0.444 161 V N 2.703 122.643 119.914 0.043 0.000 2.465 161 V HA 0.404 4.524 4.120 0.001 0.000 0.279 161 V C 0.450 176.601 176.094 0.094 0.000 1.045 161 V CA -0.253 62.054 62.300 0.012 0.000 0.938 161 V CB 0.951 32.703 31.823 -0.118 0.000 0.986 161 V HN 0.778 nan 8.190 nan 0.000 0.467 165 S N 0.218 115.933 115.700 0.025 0.000 2.596 165 S HA 0.583 5.054 4.470 0.001 0.000 0.270 165 S C 1.047 175.633 174.600 -0.023 0.000 1.155 165 S CA 0.133 58.330 58.200 -0.004 0.000 0.827 165 S CB 1.297 64.498 63.200 0.001 0.000 1.130 165 S HN 0.518 nan 8.310 nan 0.000 0.467 166 T N -1.068 113.421 114.554 -0.110 0.000 2.788 166 T HA -0.026 4.324 4.350 0.001 0.000 0.268 166 T C 0.827 175.567 174.700 0.067 0.000 1.044 166 T CA 1.221 63.236 62.100 -0.141 0.000 1.139 166 T CB -0.626 68.033 68.868 -0.348 0.000 0.867 166 T HN 0.643 nan 8.240 nan 0.000 0.454 170 N N 1.609 120.406 118.700 0.161 0.000 2.236 170 N HA 0.253 4.993 4.740 0.001 0.000 0.196 170 N C 0.074 175.612 175.510 0.047 0.000 1.114 170 N CA 0.035 53.141 53.050 0.093 0.000 0.859 170 N CB 0.334 38.869 38.487 0.080 0.000 0.982 170 N HN 0.655 nan 8.380 nan 0.000 0.493 171 Q N 0.680 120.517 119.800 0.061 0.000 2.443 171 Q HA 0.096 4.437 4.340 0.001 0.000 0.232 171 Q C 0.308 176.183 176.000 -0.208 0.000 1.026 171 Q CA -0.355 55.417 55.803 -0.051 0.000 0.924 171 Q CB 0.765 29.487 28.738 -0.027 0.000 1.256 171 Q HN 0.077 nan 8.270 nan 0.000 0.519 172 N N 2.198 120.761 118.700 -0.229 0.000 2.447 172 N HA -0.024 4.716 4.740 0.001 0.000 0.263 172 N C -1.840 173.347 175.510 -0.539 0.000 1.226 172 N CA -1.029 51.854 53.050 -0.278 0.000 0.906 172 N CB 0.811 39.185 38.487 -0.189 0.000 1.060 172 N HN 0.335 nan 8.380 nan 0.000 0.468 173 P HA -0.073 nan 4.420 nan 0.000 0.228 173 P C 0.641 177.625 177.300 -0.527 0.000 1.151 173 P CA 0.646 63.265 63.100 -0.803 0.000 0.770 173 P CB 0.068 31.544 31.700 -0.375 0.000 0.786 174 A N 0.483 123.096 122.820 -0.345 0.000 2.121 174 A HA -0.114 4.207 4.320 0.001 0.000 0.218 174 A C 2.146 179.620 177.584 -0.183 0.000 1.154 174 A CA 1.995 53.899 52.037 -0.222 0.000 0.679 174 A CB -1.621 17.288 19.000 -0.152 0.000 0.795 174 A HN 0.381 nan 8.150 nan 0.000 0.458 175 T N -3.900 110.499 114.554 -0.258 0.000 3.088 175 T HA 0.106 4.456 4.350 0.001 0.000 0.259 175 T C 0.307 175.020 174.700 0.022 0.000 1.122 175 T CA -0.060 61.962 62.100 -0.130 0.000 1.095 175 T CB -0.464 68.325 68.868 -0.132 0.000 0.930 175 T HN 0.242 nan 8.240 nan 0.000 0.508 176 Y N 2.778 123.071 120.300 -0.011 0.000 2.359 176 Y HA 0.500 5.050 4.550 0.001 0.000 0.330 176 Y C 0.527 176.557 175.900 0.217 0.000 1.143 176 Y CA -2.192 55.956 58.100 0.080 0.000 1.318 176 Y CB 0.547 39.048 38.460 0.069 0.000 1.234 176 Y HN 0.168 nan 8.280 nan 0.000 0.522 177 V N 0.704 120.857 119.914 0.400 0.000 2.876 177 V HA 0.587 4.707 4.120 0.001 0.000 0.312 177 V C -0.701 175.510 176.094 0.196 0.000 1.085 177 V CA -1.438 61.052 62.300 0.316 0.000 0.945 177 V CB 1.849 33.776 31.823 0.173 0.000 1.017 177 V HN 0.689 nan 8.190 nan 0.000 0.428 178 Q N 1.752 121.594 119.800 0.070 0.000 2.314 178 Q HA 0.518 4.858 4.340 0.001 0.000 0.258 178 Q C -0.037 175.959 176.000 -0.007 0.000 0.954 178 Q CA -0.040 55.725 55.803 -0.064 0.000 0.890 178 Q CB 1.429 30.064 28.738 -0.172 0.000 1.210 178 Q HN 0.901 nan 8.270 nan 0.000 0.410 179 S N 1.068 116.756 115.700 -0.021 0.000 2.617 179 S HA 0.519 4.990 4.470 0.001 0.000 0.283 179 S C -0.382 174.211 174.600 -0.011 0.000 1.189 179 S CA -0.809 57.380 58.200 -0.020 0.000 1.036 179 S CB 1.274 64.439 63.200 -0.059 0.000 1.014 179 S HN 0.725 nan 8.310 nan 0.000 0.522 180 A N 3.950 126.774 122.820 0.007 0.000 2.561 180 A HA 0.219 4.539 4.320 0.001 0.000 0.234 180 A C -1.048 176.544 177.584 0.013 0.000 1.055 180 A CA -0.751 51.301 52.037 0.026 0.000 0.756 180 A CB -0.275 18.752 19.000 0.045 0.000 0.986 180 A HN 0.621 nan 8.150 nan 0.000 0.505 181 P HA -0.150 nan 4.420 nan 0.000 0.220 181 P C 0.696 178.010 177.300 0.023 0.000 1.148 181 P CA 1.315 64.427 63.100 0.021 0.000 0.803 181 P CB 0.209 31.966 31.700 0.095 0.000 0.782 182 E N 0.545 120.789 120.200 0.073 0.000 2.118 182 E HA -0.176 4.174 4.350 0.001 0.000 0.195 182 E C 2.149 178.773 176.600 0.039 0.000 0.992 182 E CA 1.296 57.756 56.400 0.101 0.000 0.804 182 E CB -0.582 29.248 29.700 0.217 0.000 0.741 182 E HN 0.283 nan 8.360 nan 0.000 0.458 183 K N 0.178 120.589 120.400 0.019 0.000 2.103 183 K HA -0.074 4.246 4.320 0.001 0.000 0.204 183 K C 1.810 178.360 176.600 -0.083 0.000 1.052 183 K CA 0.800 57.087 56.287 -0.002 0.000 0.945 183 K CB 0.157 32.653 32.500 -0.006 0.000 0.722 183 K HN -0.016 nan 8.250 nan 0.000 0.443 184 V N 0.455 120.271 119.914 -0.163 0.000 2.379 184 V HA -0.218 3.903 4.120 0.001 0.000 0.245 184 V C 1.838 177.735 176.094 -0.328 0.000 1.044 184 V CA 1.499 63.633 62.300 -0.277 0.000 1.036 184 V CB -0.603 31.049 31.823 -0.285 0.000 0.664 184 V HN 0.275 nan 8.190 nan 0.000 0.453 185 Y N 0.778 120.807 120.300 -0.451 0.000 2.165 185 Y HA -0.252 4.299 4.550 0.001 0.000 0.286 185 Y C 2.684 178.242 175.900 -0.569 0.000 1.155 185 Y CA 2.012 59.614 58.100 -0.830 0.000 1.164 185 Y CB -0.337 36.879 38.460 -2.073 0.000 0.978 185 Y HN 0.323 nan 8.280 nan 0.000 0.513 186 E N -0.953 119.170 120.200 -0.127 0.000 2.118 186 E HA -0.307 4.043 4.350 0.001 0.000 0.195 186 E C 1.989 178.626 176.600 0.062 0.000 0.992 186 E CA 1.438 57.921 56.400 0.138 0.000 0.804 186 E CB -0.408 29.395 29.700 0.172 0.000 0.741 186 E HN 0.601 nan 8.360 nan 0.000 0.458 187 Y N 0.791 121.002 120.300 -0.148 0.000 2.163 187 Y HA -0.143 4.408 4.550 0.001 0.000 0.288 187 Y C 2.053 177.836 175.900 -0.195 0.000 1.136 187 Y CA 1.758 59.736 58.100 -0.204 0.000 1.147 187 Y CB -0.098 38.147 38.460 -0.359 0.000 0.987 187 Y HN 0.011 nan 8.280 nan 0.000 0.509 188 I N 0.283 120.805 120.570 -0.080 0.000 2.208 188 I HA -0.330 3.841 4.170 0.001 0.000 0.245 188 I C 2.522 178.560 176.117 -0.131 0.000 1.097 188 I CA 1.974 63.211 61.300 -0.106 0.000 1.363 188 I CB -0.495 37.445 38.000 -0.099 0.000 1.051 188 I HN 0.338 nan 8.210 nan 0.000 0.413 189 E N 1.084 121.246 120.200 -0.062 0.000 2.058 189 E HA -0.277 4.073 4.350 0.001 0.000 0.194 189 E C 1.700 178.271 176.600 -0.048 0.000 0.997 189 E CA 1.750 58.140 56.400 -0.017 0.000 0.801 189 E CB 0.034 29.864 29.700 0.217 0.000 0.746 189 E HN 0.413 nan 8.360 nan 0.000 0.450 190 D N 0.700 121.053 120.400 -0.078 0.000 2.117 190 D HA -0.159 4.482 4.640 0.001 0.000 0.197 190 D C 1.636 177.850 176.300 -0.143 0.000 0.987 190 D CA 1.079 55.017 54.000 -0.104 0.000 0.829 190 D CB -0.382 40.324 40.800 -0.156 0.000 0.961 190 D HN 0.229 nan 8.370 nan 0.000 0.460 191 D N 0.243 120.492 120.400 -0.251 0.000 2.104 191 D HA -0.090 4.550 4.640 0.001 0.000 0.194 191 D C 2.358 178.576 176.300 -0.138 0.000 0.994 191 D CA 0.477 54.334 54.000 -0.237 0.000 0.830 191 D CB -0.253 40.373 40.800 -0.289 0.000 0.959 191 D HN 0.228 nan 8.370 nan 0.000 0.452 192 L N 0.103 121.240 121.223 -0.144 0.000 2.109 192 L HA -0.067 4.273 4.340 0.001 0.000 0.207 192 L C 2.536 179.365 176.870 -0.068 0.000 1.086 192 L CA 0.372 55.132 54.840 -0.133 0.000 0.760 192 L CB -0.233 41.729 42.059 -0.162 0.000 0.910 192 L HN 0.029 nan 8.230 nan 0.000 0.437 193 L N -1.440 119.761 121.223 -0.038 0.000 2.083 193 L HA -0.271 4.070 4.340 0.001 0.000 0.209 193 L C 2.613 179.489 176.870 0.009 0.000 1.083 193 L CA 1.355 56.193 54.840 -0.003 0.000 0.752 193 L CB -0.619 41.454 42.059 0.022 0.000 0.899 193 L HN 0.216 nan 8.230 nan 0.000 0.433 194 Y N 0.656 120.897 120.300 -0.097 0.000 2.181 194 Y HA -0.283 4.267 4.550 0.001 0.000 0.288 194 Y C 2.476 178.320 175.900 -0.093 0.000 1.146 194 Y CA 1.391 59.436 58.100 -0.091 0.000 1.164 194 Y CB -0.212 38.185 38.460 -0.106 0.000 0.982 194 Y HN 0.106 nan 8.280 nan 0.000 0.515 195 A N -0.974 121.904 122.820 0.098 0.000 1.930 195 A HA -0.193 4.127 4.320 0.001 0.000 0.217 195 A C 2.306 179.848 177.584 -0.072 0.000 1.175 195 A CA 1.640 53.679 52.037 0.003 0.000 0.627 195 A CB -1.547 17.403 19.000 -0.085 0.000 0.815 195 A HN 0.636 nan 8.150 nan 0.000 0.443 196 C N -0.350 118.906 119.300 -0.074 0.000 2.425 196 C HA -0.078 4.383 4.460 0.001 0.000 0.277 196 C C 2.285 177.199 174.990 -0.126 0.000 1.280 196 C CA 1.052 60.017 59.018 -0.088 0.000 1.744 196 C CB -1.079 26.630 27.740 -0.051 0.000 1.989 196 C HN 0.590 nan 8.230 nan 0.000 0.491 197 D N 0.547 120.853 120.400 -0.156 0.000 2.123 197 D HA -0.022 4.619 4.640 0.001 0.000 0.200 197 D C 1.845 178.008 176.300 -0.230 0.000 0.976 197 D CA 1.142 55.028 54.000 -0.189 0.000 0.831 197 D CB -0.174 40.481 40.800 -0.242 0.000 0.974 197 D HN 0.321 nan 8.370 nan 0.000 0.469 198 I N 0.320 120.705 120.570 -0.309 0.000 2.731 198 I HA 0.006 4.177 4.170 0.001 0.000 0.260 198 I C 0.824 176.856 176.117 -0.142 0.000 1.138 198 I CA 0.248 61.380 61.300 -0.280 0.000 1.461 198 I CB -0.011 37.729 38.000 -0.433 0.000 1.128 198 I HN -0.138 nan 8.210 nan 0.000 0.438 199 L N 3.324 124.490 121.223 -0.096 0.000 2.426 199 L HA 0.203 4.543 4.340 0.001 0.000 0.271 199 L C -2.000 174.847 176.870 -0.039 0.000 1.169 199 L CA -1.643 53.184 54.840 -0.023 0.000 0.836 199 L CB -0.080 41.994 42.059 0.024 0.000 1.112 199 L HN -0.014 nan 8.230 nan 0.000 0.465 200 P HA 0.060 nan 4.420 nan 0.000 0.276 200 P C -1.030 176.300 177.300 0.049 0.000 1.252 200 P CA -0.404 62.743 63.100 0.079 0.000 0.802 200 P CB 0.469 32.291 31.700 0.203 0.000 1.035 201 Y N -0.085 120.290 120.300 0.125 0.000 2.578 201 Y HA 0.102 4.653 4.550 0.001 0.000 0.339 201 Y C 2.169 178.150 175.900 0.134 0.000 1.231 201 Y CA 0.548 58.735 58.100 0.146 0.000 1.461 201 Y CB -0.171 38.337 38.460 0.079 0.000 1.323 201 Y HN 0.463 nan 8.280 nan 0.000 0.590 202 A N 1.292 124.323 122.820 0.352 0.000 1.948 202 A HA -0.235 4.085 4.320 0.001 0.000 0.220 202 A C 2.096 179.781 177.584 0.168 0.000 1.177 202 A CA 2.326 54.525 52.037 0.271 0.000 0.636 202 A CB -1.293 17.929 19.000 0.370 0.000 0.815 202 A HN 0.875 nan 8.150 nan 0.000 0.449 203 T N -3.825 110.780 114.554 0.085 0.000 3.113 203 T HA 0.040 4.390 4.350 0.001 0.000 0.256 203 T C 0.836 175.545 174.700 0.015 0.000 1.131 203 T CA 1.068 63.171 62.100 0.006 0.000 1.074 203 T CB -0.008 68.798 68.868 -0.103 0.000 0.944 203 T HN 0.309 nan 8.240 nan 0.000 0.516 204 D N 1.168 121.610 120.400 0.069 0.000 2.367 204 D HA 0.095 4.736 4.640 0.001 0.000 0.207 204 D C 0.206 176.527 176.300 0.035 0.000 1.034 204 D CA 0.162 54.195 54.000 0.056 0.000 0.861 204 D CB -0.155 40.721 40.800 0.127 0.000 0.943 204 D HN 0.376 nan 8.370 nan 0.000 0.515 205 D N 1.304 121.745 120.400 0.069 0.000 2.363 205 D HA -0.005 4.636 4.640 0.001 0.000 0.263 205 D C 0.325 176.598 176.300 -0.045 0.000 1.258 205 D CA 0.416 54.452 54.000 0.059 0.000 0.907 205 D CB 0.477 41.356 40.800 0.132 0.000 1.107 205 D HN 0.026 nan 8.370 nan 0.000 0.495 206 Q N 2.905 122.562 119.800 -0.238 0.000 2.155 206 Q HA 0.057 4.397 4.340 0.001 0.000 0.220 206 Q C 0.137 175.938 176.000 -0.332 0.000 0.819 206 Q CA -0.246 55.397 55.803 -0.266 0.000 1.032 206 Q CB 0.591 29.157 28.738 -0.286 0.000 1.151 206 Q HN 0.590 nan 8.270 nan 0.000 0.487 207 Y N 0.189 120.506 120.300 0.027 0.000 2.353 207 Y HA 0.168 4.718 4.550 0.001 0.000 0.294 207 Y C 0.828 176.749 175.900 0.035 0.000 1.135 207 Y CA 0.119 58.231 58.100 0.020 0.000 1.176 207 Y CB 0.430 38.895 38.460 0.009 0.000 1.124 207 Y HN -0.116 nan 8.280 nan 0.000 0.537 208 R N 0.834 121.467 120.500 0.222 0.000 2.410 208 R HA 0.304 4.644 4.340 0.001 0.000 0.288 208 R C 1.473 177.832 176.300 0.098 0.000 1.051 208 R CA 0.576 56.779 56.100 0.171 0.000 1.021 208 R CB 0.800 31.212 30.300 0.188 0.000 1.032 208 R HN 0.372 nan 8.270 nan 0.000 0.481 209 E N 1.592 121.839 120.200 0.080 0.000 2.085 209 E HA -0.129 4.221 4.350 0.001 0.000 0.194 209 E C 0.730 177.344 176.600 0.023 0.000 0.994 209 E CA 1.789 58.214 56.400 0.042 0.000 0.801 209 E CB 0.128 29.848 29.700 0.034 0.000 0.743 209 E HN 0.490 nan 8.360 nan 0.000 0.453 210 S N -0.511 115.196 115.700 0.011 0.000 2.548 210 S HA 0.416 4.886 4.470 0.001 0.000 0.276 210 S C -0.685 173.877 174.600 -0.063 0.000 1.129 210 S CA -0.099 58.082 58.200 -0.031 0.000 0.931 210 S CB 1.210 64.373 63.200 -0.063 0.000 1.068 210 S HN 0.469 nan 8.310 nan 0.000 0.480 211 N N 1.862 120.506 118.700 -0.094 0.000 2.200 211 N HA 0.209 4.950 4.740 0.001 0.000 0.224 211 N C -1.106 174.120 175.510 -0.473 0.000 1.179 211 N CA -0.426 52.535 53.050 -0.148 0.000 0.877 211 N CB 0.012 38.505 38.487 0.011 0.000 1.072 211 N HN 0.388 nan 8.380 nan 0.000 0.519 212 D N 1.175 121.159 120.400 -0.692 0.000 2.531 212 D HA -0.056 4.585 4.640 0.001 0.000 0.239 212 D C -0.012 175.476 176.300 -1.353 0.000 1.144 212 D CA 0.605 53.642 54.000 -1.605 0.000 0.869 212 D CB -0.076 40.182 40.800 -0.902 0.000 1.160 212 D HN 0.221 nan 8.370 nan 0.000 0.484 213 Y N -0.938 118.214 120.300 -1.913 0.000 4.604 213 Y HA -0.338 4.212 4.550 0.001 0.000 0.230 213 Y C 0.623 176.124 175.900 -0.665 0.000 1.066 213 Y CA 0.666 58.184 58.100 -0.971 0.000 1.990 213 Y CB -1.922 36.206 38.460 -0.553 0.000 1.619 213 Y HN 0.369 nan 8.280 nan 0.000 0.649 214 R N -0.871 119.309 120.500 -0.534 0.000 2.832 214 R HA 0.582 4.922 4.340 0.001 0.000 0.271 214 R C -0.442 175.841 176.300 -0.028 0.000 0.996 214 R CA -1.230 54.705 56.100 -0.275 0.000 0.977 214 R CB 0.945 31.072 30.300 -0.289 0.000 1.168 214 R HN -0.067 nan 8.270 nan 0.000 0.482 215 F N 0.790 120.858 119.950 0.198 0.000 2.578 215 F HA 0.050 4.577 4.527 0.001 0.000 0.376 215 F C 0.665 176.541 175.800 0.127 0.000 1.085 215 F CA 1.212 59.307 58.000 0.158 0.000 1.260 215 F CB 0.755 39.832 39.000 0.128 0.000 1.095 215 F HN 0.335 nan 8.300 nan 0.000 0.573 216 S N 2.289 118.183 115.700 0.323 0.000 2.740 216 S HA 0.282 4.753 4.470 0.001 0.000 0.300 216 S C 0.874 175.582 174.600 0.181 0.000 1.147 216 S CA -1.051 57.290 58.200 0.235 0.000 0.871 216 S CB 2.033 65.382 63.200 0.248 0.000 1.173 216 S HN 0.637 nan 8.310 nan 0.000 0.510 217 K N 0.663 121.076 120.400 0.022 0.000 2.063 217 K HA -0.121 4.200 4.320 0.001 0.000 0.208 217 K C 1.934 178.500 176.600 -0.057 0.000 1.048 217 K CA 1.598 57.783 56.287 -0.170 0.000 0.928 217 K CB -0.874 31.229 32.500 -0.662 0.000 0.713 217 K HN 0.739 nan 8.250 nan 0.000 0.442 218 G N 0.454 109.321 108.800 0.112 0.000 2.440 218 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 218 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 218 G C 1.533 176.467 174.900 0.057 0.000 1.154 218 G CA 1.055 46.241 45.100 0.144 0.000 0.767 218 G HN 0.439 nan 8.290 nan 0.000 0.552 219 A N 1.021 123.906 122.820 0.109 0.000 1.930 219 A HA 0.342 4.662 4.320 0.001 0.000 0.217 219 A C 2.810 180.569 177.584 0.292 0.000 1.175 219 A CA 2.110 54.252 52.037 0.174 0.000 0.627 219 A CB -0.718 18.356 19.000 0.123 0.000 0.815 219 A HN 0.760 nan 8.150 nan 0.000 0.443 220 A N -0.227 122.761 122.820 0.281 0.000 1.902 220 A HA -0.028 4.292 4.320 0.001 0.000 0.217 220 A C 2.170 179.796 177.584 0.070 0.000 1.181 220 A CA 1.492 53.620 52.037 0.151 0.000 0.623 220 A CB -0.597 18.428 19.000 0.042 0.000 0.818 220 A HN 0.456 nan 8.150 nan 0.000 0.443 221 L N -0.736 120.524 121.223 0.062 0.000 2.056 221 L HA -0.097 4.243 4.340 0.001 0.000 0.207 221 L C 2.845 179.749 176.870 0.057 0.000 1.078 221 L CA 1.072 55.944 54.840 0.054 0.000 0.749 221 L CB -0.727 41.379 42.059 0.079 0.000 0.901 221 L HN 0.490 nan 8.230 nan 0.000 0.433 222 G N -0.015 108.828 108.800 0.072 0.000 2.421 222 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 222 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 222 G C 1.545 176.469 174.900 0.041 0.000 1.171 222 G CA 0.724 45.856 45.100 0.053 0.000 0.775 222 G HN 0.197 nan 8.290 nan 0.000 0.543 223 L N 0.158 121.428 121.223 0.078 0.000 2.056 223 L HA 0.108 4.449 4.340 0.001 0.000 0.207 223 L C 2.514 179.326 176.870 -0.097 0.000 1.078 223 L CA 1.411 56.281 54.840 0.050 0.000 0.749 223 L CB -0.647 41.524 42.059 0.186 0.000 0.901 223 L HN 0.189 nan 8.230 nan 0.000 0.433 224 L N -0.911 120.253 121.223 -0.098 0.000 2.083 224 L HA -0.183 4.158 4.340 0.001 0.000 0.209 224 L C 2.308 179.074 176.870 -0.174 0.000 1.083 224 L CA 2.354 57.055 54.840 -0.231 0.000 0.752 224 L CB -1.153 40.787 42.059 -0.198 0.000 0.899 224 L HN 0.327 nan 8.230 nan 0.000 0.433 225 T N -0.449 114.104 114.554 -0.003 0.000 2.684 225 T HA -0.272 4.079 4.350 0.001 0.000 0.267 225 T C 1.902 176.649 174.700 0.080 0.000 1.036 225 T CA 1.944 64.108 62.100 0.106 0.000 1.148 225 T CB -0.219 68.704 68.868 0.091 0.000 0.863 225 T HN 0.366 nan 8.240 nan 0.000 0.436 226 K N 0.623 121.024 120.400 0.001 0.000 2.097 226 K HA -0.059 4.262 4.320 0.001 0.000 0.205 226 K C 2.225 178.786 176.600 -0.065 0.000 1.050 226 K CA 0.853 57.146 56.287 0.009 0.000 0.938 226 K CB -0.258 32.247 32.500 0.009 0.000 0.718 226 K HN 0.129 nan 8.250 nan 0.000 0.442 227 V N 0.839 120.552 119.914 -0.335 0.000 2.287 227 V HA -0.270 3.851 4.120 0.001 0.000 0.248 227 V C 2.066 178.179 176.094 0.033 0.000 1.053 227 V CA 1.768 63.840 62.300 -0.380 0.000 1.027 227 V CB -0.645 30.881 31.823 -0.495 0.000 0.646 227 V HN 0.306 nan 8.190 nan 0.000 0.447 228 Y N 0.620 120.939 120.300 0.033 0.000 2.181 228 Y HA -0.168 4.382 4.550 0.001 0.000 0.288 228 Y C 2.527 178.333 175.900 -0.156 0.000 1.146 228 Y CA 1.069 59.158 58.100 -0.018 0.000 1.164 228 Y CB -1.240 37.170 38.460 -0.084 0.000 0.982 228 Y HN 0.201 nan 8.280 nan 0.000 0.515 229 A N -0.703 122.155 122.820 0.064 0.000 1.933 229 A HA -0.178 4.143 4.320 0.001 0.000 0.218 229 A C 2.305 179.779 177.584 -0.183 0.000 1.175 229 A CA 2.236 54.210 52.037 -0.105 0.000 0.628 229 A CB -1.149 17.962 19.000 0.186 0.000 0.814 229 A HN 0.432 nan 8.150 nan 0.000 0.444 230 T N -1.700 112.884 114.554 0.049 0.000 2.777 230 T HA -0.158 4.193 4.350 0.001 0.000 0.266 230 T C 1.581 176.294 174.700 0.021 0.000 1.040 230 T CA 1.140 63.322 62.100 0.136 0.000 1.141 230 T CB -0.312 68.816 68.868 0.434 0.000 0.868 230 T HN 0.687 nan 8.240 nan 0.000 0.444 231 W N 2.340 123.391 121.300 -0.416 0.000 2.350 231 W HA 0.034 4.695 4.660 0.001 0.000 0.289 231 W C 2.494 178.726 176.519 -0.479 0.000 1.215 231 W CA 0.631 57.557 57.345 -0.698 0.000 1.236 231 W CB -0.873 28.091 29.460 -0.828 0.000 1.130 231 W HN 0.297 nan 8.180 nan 0.000 0.541 232 A N 0.046 122.617 122.820 -0.414 0.000 2.066 232 A HA 0.220 4.541 4.320 0.001 0.000 0.218 232 A C 1.660 178.952 177.584 -0.486 0.000 1.157 232 A CA 1.281 52.859 52.037 -0.765 0.000 0.670 232 A CB -1.087 16.798 19.000 -1.858 0.000 0.804 232 A HN 0.169 nan 8.150 nan 0.000 0.453 233 G N -2.099 106.536 108.800 -0.276 0.000 2.510 233 G HA2 0.448 4.408 3.960 0.001 0.000 0.280 233 G HA3 0.448 4.408 3.960 0.001 0.000 0.280 233 G C -0.581 174.320 174.900 0.002 0.000 1.386 233 G CA -0.695 44.413 45.100 0.013 0.000 1.047 233 G HN 0.190 nan 8.290 nan 0.000 0.527 234 Y N 0.548 120.947 120.300 0.165 0.000 2.411 234 Y HA 0.235 4.785 4.550 0.001 0.000 0.333 234 Y C -0.792 175.188 175.900 0.133 0.000 1.186 234 Y CA -1.205 56.985 58.100 0.151 0.000 1.381 234 Y CB 1.496 40.058 38.460 0.170 0.000 1.273 234 Y HN 0.275 nan 8.280 nan 0.000 0.546 235 P HA -0.010 nan 4.420 nan 0.000 0.245 235 P C 1.032 178.431 177.300 0.165 0.000 1.199 235 P CA 0.567 63.836 63.100 0.283 0.000 0.807 235 P CB 0.447 32.287 31.700 0.234 0.000 1.002 236 V N 0.801 120.798 119.914 0.139 0.000 2.358 236 V HA -0.127 3.993 4.120 0.001 0.000 0.246 236 V C 1.447 177.574 176.094 0.056 0.000 1.047 236 V CA 1.287 63.663 62.300 0.127 0.000 1.035 236 V CB -1.343 30.588 31.823 0.181 0.000 0.658 236 V HN 0.220 nan 8.190 nan 0.000 0.452 237 K N 0.595 120.976 120.400 -0.033 0.000 3.150 237 K HA -0.222 4.099 4.320 0.001 0.000 0.267 237 K C -0.187 176.357 176.600 -0.093 0.000 1.028 237 K CA 0.619 56.823 56.287 -0.139 0.000 0.753 237 K CB -1.147 31.200 32.500 -0.255 0.000 1.288 237 K HN 0.554 nan 8.250 nan 0.000 0.473 238 D N 1.383 121.718 120.400 -0.109 0.000 2.453 238 D HA 0.058 4.698 4.640 0.001 0.000 0.223 238 D C 0.838 176.960 176.300 -0.297 0.000 1.183 238 D CA -0.031 53.855 54.000 -0.190 0.000 0.933 238 D CB 0.632 41.260 40.800 -0.288 0.000 1.038 238 D HN 0.285 nan 8.370 nan 0.000 0.513 239 E N 1.085 121.196 120.200 -0.147 0.000 2.338 239 E HA -0.141 4.209 4.350 0.001 0.000 0.197 239 E C 1.705 178.269 176.600 -0.060 0.000 1.007 239 E CA 0.556 56.934 56.400 -0.036 0.000 0.849 239 E CB 0.156 29.950 29.700 0.157 0.000 0.774 239 E HN 0.502 nan 8.360 nan 0.000 0.506 240 S N 0.969 116.558 115.700 -0.185 0.000 2.474 240 S HA -0.063 4.408 4.470 0.001 0.000 0.235 240 S C 1.671 176.028 174.600 -0.405 0.000 0.997 240 S CA 0.540 58.594 58.200 -0.243 0.000 0.949 240 S CB 0.055 63.103 63.200 -0.253 0.000 0.766 240 S HN 0.024 nan 8.310 nan 0.000 0.517 241 K N 0.533 120.616 120.400 -0.529 0.000 2.432 241 K HA 0.083 4.404 4.320 0.001 0.000 0.196 241 K C 1.245 177.562 176.600 -0.472 0.000 1.038 241 K CA 0.362 56.259 56.287 -0.651 0.000 0.986 241 K CB -0.508 31.529 32.500 -0.770 0.000 0.782 241 K HN 0.646 nan 8.250 nan 0.000 0.485 242 W N 1.961 123.098 121.300 -0.271 0.000 2.355 242 W HA -0.158 4.503 4.660 0.001 0.000 0.309 242 W C 2.317 178.626 176.519 -0.350 0.000 1.206 242 W CA 0.988 58.227 57.345 -0.176 0.000 1.284 242 W CB -0.199 29.227 29.460 -0.057 0.000 1.145 242 W HN 0.260 nan 8.180 nan 0.000 0.502 243 E N 0.677 120.586 120.200 -0.484 0.000 2.085 243 E HA -0.269 4.082 4.350 0.001 0.000 0.194 243 E C 2.225 178.354 176.600 -0.785 0.000 0.994 243 E CA 1.671 57.327 56.400 -1.242 0.000 0.801 243 E CB -0.302 28.432 29.700 -1.610 0.000 0.743 243 E HN 0.185 nan 8.360 nan 0.000 0.453 244 A N 1.189 123.597 122.820 -0.687 0.000 1.902 244 A HA -0.097 4.224 4.320 0.001 0.000 0.217 244 A C 2.427 179.722 177.584 -0.481 0.000 1.181 244 A CA 1.873 53.432 52.037 -0.796 0.000 0.623 244 A CB -0.842 17.254 19.000 -1.506 0.000 0.818 244 A HN 0.445 nan 8.150 nan 0.000 0.443 245 A N -0.088 122.587 122.820 -0.242 0.000 1.877 245 A HA 0.130 4.450 4.320 0.001 0.000 0.216 245 A C 2.529 180.204 177.584 0.152 0.000 1.186 245 A CA 2.253 54.361 52.037 0.119 0.000 0.620 245 A CB -1.085 18.042 19.000 0.211 0.000 0.822 245 A HN 1.079 nan 8.150 nan 0.000 0.443 246 A N -0.349 122.561 122.820 0.150 0.000 1.902 246 A HA -0.162 4.159 4.320 0.001 0.000 0.217 246 A C 2.130 179.864 177.584 0.250 0.000 1.181 246 A CA 1.841 54.079 52.037 0.335 0.000 0.623 246 A CB -0.426 18.831 19.000 0.428 0.000 0.818 246 A HN 0.542 nan 8.150 nan 0.000 0.443 247 K N -0.932 119.487 120.400 0.032 0.000 2.097 247 K HA -0.073 4.247 4.320 0.001 0.000 0.205 247 K C 2.088 178.703 176.600 0.026 0.000 1.050 247 K CA 1.651 57.951 56.287 0.022 0.000 0.938 247 K CB -0.306 32.131 32.500 -0.105 0.000 0.718 247 K HN 0.495 nan 8.250 nan 0.000 0.442 248 T N 1.043 115.618 114.554 0.036 0.000 2.737 248 T HA -0.121 4.230 4.350 0.001 0.000 0.265 248 T C 2.025 176.738 174.700 0.021 0.000 1.038 248 T CA 1.355 63.501 62.100 0.075 0.000 1.144 248 T CB -0.233 68.751 68.868 0.192 0.000 0.866 248 T HN 0.292 nan 8.240 nan 0.000 0.434 249 A N 1.704 124.515 122.820 -0.014 0.000 1.933 249 A HA -0.106 4.215 4.320 0.001 0.000 0.218 249 A C 2.293 179.613 177.584 -0.440 0.000 1.175 249 A CA 1.736 53.665 52.037 -0.180 0.000 0.628 249 A CB -0.630 18.278 19.000 -0.153 0.000 0.814 249 A HN 0.420 nan 8.150 nan 0.000 0.444 250 R N -0.162 120.074 120.500 -0.441 0.000 2.091 250 R HA -0.141 4.199 4.340 0.001 0.000 0.238 250 R C 1.881 178.111 176.300 -0.118 0.000 1.136 250 R CA 1.888 57.776 56.100 -0.354 0.000 0.959 250 R CB -0.439 29.874 30.300 0.021 0.000 0.856 250 R HN 0.571 nan 8.270 nan 0.000 0.437 251 I N 0.656 121.210 120.570 -0.027 0.000 2.179 251 I HA -0.298 3.872 4.170 0.001 0.000 0.242 251 I C 2.330 178.509 176.117 0.103 0.000 1.088 251 I CA 0.807 62.140 61.300 0.056 0.000 1.357 251 I CB -0.295 37.754 38.000 0.082 0.000 1.051 251 I HN 0.262 nan 8.210 nan 0.000 0.409 252 L N 0.398 121.680 121.223 0.099 0.000 2.027 252 L HA -0.104 4.236 4.340 0.001 0.000 0.206 252 L C 2.352 179.330 176.870 0.181 0.000 1.074 252 L CA 1.753 56.718 54.840 0.209 0.000 0.745 252 L CB -0.515 41.665 42.059 0.201 0.000 0.898 252 L HN -0.035 nan 8.230 nan 0.000 0.433 253 V N -0.066 119.876 119.914 0.046 0.000 2.343 253 V HA -0.245 3.875 4.120 0.001 0.000 0.247 253 V C 2.349 178.497 176.094 0.090 0.000 1.051 253 V CA 2.007 64.359 62.300 0.087 0.000 1.036 253 V CB -0.669 31.074 31.823 -0.133 0.000 0.654 253 V HN 0.507 nan 8.190 nan 0.000 0.451 254 E N 0.343 120.567 120.200 0.040 0.000 2.481 254 E HA -0.078 4.273 4.350 0.001 0.000 0.195 254 E C 2.207 178.816 176.600 0.016 0.000 1.047 254 E CA 0.885 57.311 56.400 0.044 0.000 0.867 254 E CB -0.048 29.681 29.700 0.049 0.000 0.858 254 E HN 0.764 nan 8.360 nan 0.000 0.513 255 S N -0.090 115.610 115.700 -0.000 0.000 2.423 255 S HA -0.046 4.424 4.470 0.001 0.000 0.231 255 S C 1.856 176.354 174.600 -0.170 0.000 1.014 255 S CA 0.679 58.818 58.200 -0.102 0.000 0.965 255 S CB -0.274 62.783 63.200 -0.239 0.000 0.785 255 S HN 0.337 nan 8.310 nan 0.000 0.495 256 G N 1.357 110.083 108.800 -0.124 0.000 2.160 256 G HA2 -0.245 3.716 3.960 0.001 0.000 0.251 256 G HA3 -0.245 3.716 3.960 0.001 0.000 0.251 256 G C 0.733 175.479 174.900 -0.256 0.000 1.008 256 G CA 0.571 45.585 45.100 -0.143 0.000 0.724 256 G HN 0.503 nan 8.290 nan 0.000 0.514 257 K N -0.406 119.764 120.400 -0.382 0.000 2.354 257 K HA 0.180 4.501 4.320 0.001 0.000 0.194 257 K C 0.673 176.822 176.600 -0.752 0.000 1.038 257 K CA 0.437 56.380 56.287 -0.573 0.000 1.052 257 K CB 0.508 32.462 32.500 -0.910 0.000 0.861 257 K HN 0.651 nan 8.250 nan 0.000 0.535 258 H N -1.057 117.788 119.070 -0.375 0.000 2.907 258 H HA 0.621 5.177 4.556 0.001 0.000 0.361 258 H C -0.037 174.788 175.328 -0.838 0.000 1.194 258 H CA -0.560 55.135 56.048 -0.589 0.000 1.152 258 H CB 2.434 31.804 29.762 -0.653 0.000 1.867 258 H HN 0.156 nan 8.280 nan 0.000 0.561 259 G N -0.013 108.320 108.800 -0.779 0.000 2.488 259 G HA2 0.395 4.356 3.960 0.001 0.000 0.301 259 G HA3 0.395 4.356 3.960 0.001 0.000 0.301 259 G C -1.710 173.093 174.900 -0.161 0.000 1.339 259 G CA -0.852 43.985 45.100 -0.439 0.000 0.803 259 G HN 0.363 nan 8.290 nan 0.000 0.482 260 L N 0.726 121.980 121.223 0.051 0.000 2.334 260 L HA 0.472 4.813 4.340 0.001 0.000 0.277 260 L C 0.419 177.288 176.870 -0.002 0.000 1.075 260 L CA -0.773 54.114 54.840 0.079 0.000 0.804 260 L CB 1.373 43.520 42.059 0.146 0.000 1.174 260 L HN 0.302 nan 8.230 nan 0.000 0.438 261 L N 2.837 124.035 121.223 -0.043 0.000 2.456 261 L HA 0.023 4.364 4.340 0.001 0.000 0.272 261 L C 1.603 178.472 176.870 -0.003 0.000 1.189 261 L CA 0.131 54.934 54.840 -0.061 0.000 0.846 261 L CB 0.429 42.416 42.059 -0.120 0.000 1.111 261 L HN 0.726 nan 8.230 nan 0.000 0.475 262 K N 1.388 121.787 120.400 -0.002 0.000 2.044 262 K HA -0.138 4.183 4.320 0.001 0.000 0.210 262 K C -0.047 176.589 176.600 0.059 0.000 1.049 262 K CA 1.323 57.627 56.287 0.029 0.000 0.927 262 K CB 0.228 32.737 32.500 0.015 0.000 0.713 262 K HN 0.597 nan 8.250 nan 0.000 0.443 263 D N -0.165 120.264 120.400 0.047 0.000 2.349 263 D HA 0.022 4.663 4.640 0.001 0.000 0.232 263 D C 0.093 176.458 176.300 0.108 0.000 1.071 263 D CA -0.322 53.729 54.000 0.086 0.000 0.832 263 D CB 1.217 42.054 40.800 0.062 0.000 1.086 263 D HN 0.121 nan 8.370 nan 0.000 0.504 264 Y N 2.441 122.772 120.300 0.052 0.000 2.193 264 Y HA -0.259 4.291 4.550 0.001 0.000 0.285 264 Y C 2.084 178.044 175.900 0.100 0.000 1.166 264 Y CA 1.923 60.073 58.100 0.085 0.000 1.181 264 Y CB 0.307 38.871 38.460 0.173 0.000 0.976 264 Y HN 0.498 nan 8.280 nan 0.000 0.520 265 E N -0.533 119.814 120.200 0.245 0.000 2.153 265 E HA -0.324 4.026 4.350 0.001 0.000 0.194 265 E C 2.102 178.692 176.600 -0.016 0.000 0.988 265 E CA 1.173 57.716 56.400 0.238 0.000 0.811 265 E CB -0.107 29.756 29.700 0.271 0.000 0.746 265 E HN 0.475 nan 8.360 nan 0.000 0.466 266 Q N 0.509 120.257 119.800 -0.087 0.000 2.170 266 Q HA -0.118 4.223 4.340 0.001 0.000 0.203 266 Q C 2.021 177.815 176.000 -0.343 0.000 0.976 266 Q CA 1.150 56.859 55.803 -0.157 0.000 0.858 266 Q CB -0.165 28.509 28.738 -0.107 0.000 0.907 266 Q HN 0.392 nan 8.270 nan 0.000 0.433 267 L N -1.441 119.409 121.223 -0.622 0.000 2.042 267 L HA -0.197 4.144 4.340 0.001 0.000 0.210 267 L C 1.850 178.139 176.870 -0.968 0.000 1.076 267 L CA 1.547 55.826 54.840 -0.934 0.000 0.749 267 L CB -0.459 40.636 42.059 -1.606 0.000 0.893 267 L HN 0.393 nan 8.230 nan 0.000 0.432 268 W N -0.176 120.952 121.300 -0.288 0.000 2.494 268 W HA -0.027 4.634 4.660 0.001 0.000 0.286 268 W C 2.550 178.651 176.519 -0.697 0.000 1.218 268 W CA -0.057 56.974 57.345 -0.524 0.000 1.313 268 W CB -0.190 28.840 29.460 -0.717 0.000 1.105 268 W HN -0.113 nan 8.180 nan 0.000 0.561 269 K N 0.604 120.674 120.400 -0.550 0.000 2.032 269 K HA -0.180 4.140 4.320 0.001 0.000 0.209 269 K C 1.717 178.257 176.600 -0.101 0.000 1.048 269 K CA 1.696 57.831 56.287 -0.253 0.000 0.927 269 K CB -0.454 32.017 32.500 -0.047 0.000 0.712 269 K HN 0.076 nan 8.250 nan 0.000 0.441 270 N N 0.202 118.830 118.700 -0.119 0.000 2.084 270 N HA -0.141 4.600 4.740 0.001 0.000 0.190 270 N C 1.875 177.391 175.510 0.010 0.000 1.030 270 N CA 1.466 54.491 53.050 -0.041 0.000 0.849 270 N CB -0.719 37.731 38.487 -0.062 0.000 1.012 270 N HN 0.105 nan 8.380 nan 0.000 0.423 271 T N -0.219 114.316 114.554 -0.032 0.000 2.951 271 T HA -0.024 4.327 4.350 0.001 0.000 0.268 271 T C 1.839 176.634 174.700 0.158 0.000 1.073 271 T CA 0.689 62.781 62.100 -0.014 0.000 1.134 271 T CB -0.289 68.440 68.868 -0.231 0.000 0.884 271 T HN 0.293 nan 8.240 nan 0.000 0.479 272 C N 1.741 121.144 119.300 0.173 0.000 2.539 272 C HA 0.243 4.704 4.460 0.001 0.000 0.268 272 C C 1.888 176.988 174.990 0.182 0.000 1.395 272 C CA -0.092 59.070 59.018 0.239 0.000 1.757 272 C CB -0.957 26.958 27.740 0.292 0.000 1.851 272 C HN 0.565 nan 8.230 nan 0.000 0.545 273 N N 0.018 118.799 118.700 0.136 0.000 2.235 273 N HA 0.139 4.879 4.740 0.001 0.000 0.231 273 N C 1.128 176.704 175.510 0.111 0.000 1.177 273 N CA 0.743 53.862 53.050 0.116 0.000 0.874 273 N CB 0.687 39.231 38.487 0.095 0.000 1.097 273 N HN 0.514 nan 8.380 nan 0.000 0.518 274 G N 1.455 110.341 108.800 0.144 0.000 2.249 274 G HA2 -0.246 3.714 3.960 0.001 0.000 0.273 274 G HA3 -0.246 3.714 3.960 0.001 0.000 0.273 274 G C -0.118 174.917 174.900 0.224 0.000 1.036 274 G CA 0.443 45.648 45.100 0.174 0.000 0.824 274 G HN 0.232 nan 8.290 nan 0.000 0.504 275 T N 0.973 115.645 114.554 0.196 0.000 2.753 275 T HA 0.369 4.720 4.350 0.001 0.000 0.297 275 T C 0.096 174.905 174.700 0.182 0.000 0.981 275 T CA -0.439 61.753 62.100 0.153 0.000 0.956 275 T CB 0.884 69.789 68.868 0.063 0.000 0.936 275 T HN 0.397 nan 8.240 nan 0.000 0.463 276 W N 4.801 126.067 121.300 -0.056 0.000 2.287 276 W HA 0.374 5.035 4.660 0.001 0.000 0.313 276 W C -1.017 175.404 176.519 -0.164 0.000 1.267 276 W CA -0.257 56.924 57.345 -0.274 0.000 1.201 276 W CB 0.657 29.763 29.460 -0.590 0.000 1.196 276 W HN 0.458 nan 8.180 nan 0.000 0.536 277 D N 8.430 128.267 120.400 -0.939 0.000 2.575 277 D HA 0.193 4.834 4.640 0.001 0.000 0.250 277 D C -1.663 173.939 176.300 -1.164 0.000 1.279 277 D CA -2.066 51.447 54.000 -0.811 0.000 0.925 277 D CB 2.277 42.836 40.800 -0.402 0.000 1.261 277 D HN 0.140 nan 8.370 nan 0.000 0.567 278 P HA -0.036 nan 4.420 nan 0.000 0.242 278 P C 1.096 178.250 177.300 -0.243 0.000 1.197 278 P CA 0.358 63.057 63.100 -0.667 0.000 0.765 278 P CB 0.394 32.019 31.700 -0.126 0.000 0.936 279 T N 0.535 114.920 114.554 -0.283 0.000 2.580 279 T HA -0.199 4.151 4.350 0.001 0.000 0.265 279 T C 1.776 176.417 174.700 -0.098 0.000 1.063 279 T CA 1.912 63.904 62.100 -0.179 0.000 1.170 279 T CB -0.317 68.426 68.868 -0.209 0.000 0.863 279 T HN 0.345 nan 8.240 nan 0.000 0.418 280 E N -0.137 119.961 120.200 -0.170 0.000 2.330 280 E HA 0.158 4.509 4.350 0.001 0.000 0.200 280 E C 0.738 177.254 176.600 -0.139 0.000 0.922 280 E CA -0.110 56.215 56.400 -0.124 0.000 0.935 280 E CB 0.368 29.980 29.700 -0.147 0.000 0.917 280 E HN 0.197 nan 8.360 nan 0.000 0.491 281 S N 0.882 116.452 115.700 -0.217 0.000 2.443 281 S HA 0.143 4.613 4.470 0.001 0.000 0.284 281 S C 0.923 175.493 174.600 -0.050 0.000 1.206 281 S CA -0.298 57.838 58.200 -0.107 0.000 1.074 281 S CB 0.243 63.386 63.200 -0.095 0.000 0.963 281 S HN 0.295 nan 8.310 nan 0.000 0.501 282 L N 5.048 126.305 121.223 0.056 0.000 2.262 282 L HA 0.415 4.755 4.340 0.001 0.000 0.197 282 L C 0.214 177.173 176.870 0.149 0.000 1.073 282 L CA 0.541 55.427 54.840 0.077 0.000 0.800 282 L CB -0.023 42.043 42.059 0.011 0.000 0.987 282 L HN 0.548 nan 8.230 nan 0.000 0.470 283 I N 0.382 121.050 120.570 0.165 0.000 2.439 283 I HA 0.270 4.441 4.170 0.001 0.000 0.283 283 I C -0.701 175.579 176.117 0.272 0.000 1.023 283 I CA -0.158 61.215 61.300 0.122 0.000 1.100 283 I CB 1.940 40.038 38.000 0.164 0.000 1.238 283 I HN 0.104 nan 8.210 nan 0.000 0.445 284 E N 6.933 127.309 120.200 0.293 0.000 2.263 284 E HA 0.434 4.784 4.350 0.001 0.000 0.268 284 E C -1.265 175.472 176.600 0.229 0.000 0.884 284 E CA -0.761 55.842 56.400 0.338 0.000 0.766 284 E CB 1.959 31.961 29.700 0.504 0.000 1.196 284 E HN 0.374 nan 8.360 nan 0.000 0.416 285 I N 3.047 123.688 120.570 0.117 0.000 2.352 285 I HA 0.135 4.306 4.170 0.001 0.000 0.290 285 I C 0.459 176.405 176.117 -0.286 0.000 1.036 285 I CA -0.212 61.031 61.300 -0.095 0.000 1.336 285 I CB 0.702 38.665 38.000 -0.061 0.000 1.407 285 I HN 0.346 nan 8.210 nan 0.000 0.497 286 S N 6.962 122.315 115.700 -0.578 0.000 2.452 286 S HA 0.560 5.031 4.470 0.001 0.000 0.284 286 S C -0.790 173.466 174.600 -0.573 0.000 1.171 286 S CA -0.329 57.444 58.200 -0.713 0.000 1.064 286 S CB -0.070 62.433 63.200 -1.162 0.000 0.967 286 S HN 0.263 nan 8.310 nan 0.000 0.484 287 F N 5.096 124.998 119.950 -0.080 0.000 2.444 287 F HA 0.581 5.108 4.527 0.001 0.000 0.342 287 F C -0.324 175.544 175.800 0.113 0.000 1.121 287 F CA -0.661 57.349 58.000 0.017 0.000 0.997 287 F CB 1.453 40.481 39.000 0.046 0.000 1.130 287 F HN 0.623 nan 8.300 nan 0.000 0.454 288 Y N 2.147 122.530 120.300 0.138 0.000 2.357 288 Y HA 0.500 5.051 4.550 0.001 0.000 0.319 288 Y C -1.314 174.659 175.900 0.123 0.000 1.225 288 Y CA -0.702 57.474 58.100 0.126 0.000 1.095 288 Y CB 1.540 40.030 38.460 0.050 0.000 1.302 288 Y HN 0.539 nan 8.280 nan 0.000 0.429 289 S N 6.976 122.156 115.700 -0.867 0.000 2.533 289 S HA 0.515 4.985 4.470 0.001 0.000 0.271 289 S C -2.620 171.569 174.600 -0.685 0.000 1.143 289 S CA -1.283 56.479 58.200 -0.730 0.000 0.891 289 S CB 2.037 65.062 63.200 -0.291 0.000 1.105 289 S HN 0.495 nan 8.310 nan 0.000 0.468 290 P HA 0.113 nan 4.420 nan 0.000 0.227 290 P C 0.428 177.777 177.300 0.082 0.000 1.161 290 P CA 0.684 63.753 63.100 -0.051 0.000 0.788 290 P CB -0.140 31.586 31.700 0.043 0.000 0.822 291 T N -2.865 111.629 114.554 -0.099 0.000 2.906 291 T HA 0.484 4.835 4.350 0.001 0.000 0.295 291 T C 0.203 174.616 174.700 -0.478 0.000 1.075 291 T CA -0.694 61.283 62.100 -0.205 0.000 1.005 291 T CB 2.060 70.855 68.868 -0.122 0.000 1.136 291 T HN -0.146 nan 8.240 nan 0.000 0.498 292 V N -0.999 118.587 119.914 -0.547 0.000 2.915 292 V HA 0.403 4.524 4.120 0.001 0.000 0.364 292 V C 1.123 177.048 176.094 -0.282 0.000 1.354 292 V CA 0.182 62.162 62.300 -0.533 0.000 1.213 292 V CB -0.622 30.738 31.823 -0.773 0.000 1.268 292 V HN 0.990 nan 8.190 nan 0.000 0.557 293 S N -0.535 115.045 115.700 -0.200 0.000 2.548 293 S HA 0.402 4.872 4.470 0.001 0.000 0.215 293 S C 1.115 175.652 174.600 -0.105 0.000 0.976 293 S CA 0.423 58.546 58.200 -0.128 0.000 0.908 293 S CB 0.308 63.452 63.200 -0.093 0.000 0.781 293 S HN 0.927 nan 8.310 nan 0.000 0.519 294 G N 1.266 109.997 108.800 -0.115 0.000 2.543 294 G HA2 0.375 4.335 3.960 0.001 0.000 0.290 294 G HA3 0.375 4.335 3.960 0.001 0.000 0.290 294 G C 0.307 175.154 174.900 -0.087 0.000 1.310 294 G CA -0.614 44.432 45.100 -0.090 0.000 1.025 294 G HN 0.259 nan 8.290 nan 0.000 0.502 295 N N -1.419 117.238 118.700 -0.072 0.000 2.356 295 N HA 0.118 4.859 4.740 0.001 0.000 0.178 295 N C 1.494 176.962 175.510 -0.070 0.000 1.075 295 N CA 1.031 54.041 53.050 -0.068 0.000 0.889 295 N CB 0.376 38.830 38.487 -0.056 0.000 0.999 295 N HN 0.504 nan 8.380 nan 0.000 0.464 296 S N -0.262 115.397 115.700 -0.069 0.000 2.809 296 S HA 0.248 4.718 4.470 0.001 0.000 0.248 296 S C -0.496 174.066 174.600 -0.063 0.000 1.071 296 S CA -0.650 57.513 58.200 -0.062 0.000 1.059 296 S CB 0.022 63.191 63.200 -0.052 0.000 0.923 296 S HN 0.018 nan 8.310 nan 0.000 0.516 297 D N 3.877 124.227 120.400 -0.084 0.000 2.425 297 D HA 0.192 4.833 4.640 0.001 0.000 0.247 297 D C -2.312 173.959 176.300 -0.048 0.000 1.147 297 D CA -0.780 53.163 54.000 -0.095 0.000 0.879 297 D CB 1.426 42.127 40.800 -0.164 0.000 1.179 297 D HN 0.194 nan 8.370 nan 0.000 0.456 298 P HA 0.031 nan 4.420 nan 0.000 0.225 298 P C -0.262 177.174 177.300 0.226 0.000 1.813 298 P CA -0.252 62.894 63.100 0.077 0.000 1.013 298 P CB 0.012 31.722 31.700 0.015 0.000 1.961 299 V N -0.654 119.364 119.914 0.172 0.000 2.769 299 V HA 1.002 5.122 4.120 0.001 0.000 0.312 299 V C 0.199 176.258 176.094 -0.058 0.000 1.058 299 V CA -0.707 61.680 62.300 0.146 0.000 0.952 299 V CB 1.886 33.725 31.823 0.027 0.000 1.019 299 V HN 0.318 nan 8.190 nan 0.000 0.445 300 G N 1.953 110.457 108.800 -0.493 0.000 3.140 300 G HA2 0.578 4.538 3.960 0.001 0.000 0.271 300 G HA3 0.578 4.538 3.960 0.001 0.000 0.271 300 G C -0.222 174.371 174.900 -0.512 0.000 1.370 300 G CA -1.048 43.520 45.100 -0.887 0.000 1.014 300 G HN 0.702 nan 8.290 nan 0.000 0.541 301 R N -0.471 119.726 120.500 -0.504 0.000 2.507 301 R HA 0.213 4.554 4.340 0.001 0.000 0.298 301 R C 0.061 176.214 176.300 -0.244 0.000 0.999 301 R CA -0.386 55.515 56.100 -0.332 0.000 1.082 301 R CB 0.200 30.241 30.300 -0.432 0.000 1.246 301 R HN 0.236 nan 8.270 nan 0.000 0.553 302 I N 0.903 121.292 120.570 -0.303 0.000 2.556 302 I HA 0.082 4.253 4.170 0.001 0.000 0.284 302 I C 1.556 177.667 176.117 -0.009 0.000 1.114 302 I CA 0.698 61.871 61.300 -0.211 0.000 1.418 302 I CB 0.115 38.009 38.000 -0.177 0.000 1.394 302 I HN 0.504 nan 8.210 nan 0.000 0.552 303 G N 5.160 114.028 108.800 0.113 0.000 2.189 303 G HA2 -0.273 3.688 3.960 0.001 0.000 0.267 303 G HA3 -0.273 3.688 3.960 0.001 0.000 0.267 303 G C 1.086 176.084 174.900 0.164 0.000 0.975 303 G CA 0.391 45.657 45.100 0.276 0.000 0.644 303 G HN 0.565 nan 8.290 nan 0.000 0.537 304 K N -1.479 118.974 120.400 0.088 0.000 2.344 304 K HA 0.223 4.543 4.320 0.001 0.000 0.229 304 K C 1.761 178.399 176.600 0.063 0.000 1.112 304 K CA 0.653 56.974 56.287 0.057 0.000 0.850 304 K CB -0.666 31.840 32.500 0.011 0.000 1.311 304 K HN 0.296 nan 8.250 nan 0.000 0.448 305 W N 4.169 125.380 121.300 -0.149 0.000 2.436 305 W HA -0.101 4.560 4.660 0.001 0.000 0.284 305 W C 1.057 177.539 176.519 -0.062 0.000 1.225 305 W CA 1.692 58.935 57.345 -0.170 0.000 1.271 305 W CB 0.221 29.503 29.460 -0.298 0.000 1.114 305 W HN 0.294 nan 8.180 nan 0.000 0.559 306 N N -0.844 118.009 118.700 0.254 0.000 2.328 306 N HA 0.188 4.929 4.740 0.001 0.000 0.247 306 N C 0.332 175.996 175.510 0.257 0.000 1.165 306 N CA 0.395 53.588 53.050 0.239 0.000 0.873 306 N CB -0.612 38.015 38.487 0.233 0.000 1.125 306 N HN -0.011 nan 8.380 nan 0.000 0.513 307 G N -0.073 108.846 108.800 0.198 0.000 2.510 307 G HA2 0.433 4.394 3.960 0.001 0.000 0.280 307 G HA3 0.433 4.394 3.960 0.001 0.000 0.280 307 G C -0.693 174.307 174.900 0.167 0.000 1.386 307 G CA -0.477 44.765 45.100 0.237 0.000 1.047 307 G HN 0.051 nan 8.290 nan 0.000 0.527 308 V N 0.394 120.411 119.914 0.172 0.000 2.546 308 V HA 0.219 4.339 4.120 0.001 0.000 0.284 308 V C 0.533 176.715 176.094 0.147 0.000 1.050 308 V CA -0.666 61.697 62.300 0.105 0.000 0.981 308 V CB 1.354 33.249 31.823 0.121 0.000 0.990 308 V HN 0.664 nan 8.190 nan 0.000 0.474 309 K N 3.539 124.023 120.400 0.140 0.000 2.453 309 K HA 0.183 4.504 4.320 0.001 0.000 0.280 309 K C -0.279 176.393 176.600 0.120 0.000 1.045 309 K CA 0.726 57.100 56.287 0.144 0.000 1.059 309 K CB 0.004 32.664 32.500 0.266 0.000 0.901 309 K HN 0.867 nan 8.250 nan 0.000 0.475 310 T N 3.363 117.993 114.554 0.127 0.000 2.971 310 T HA 0.251 4.601 4.350 0.001 0.000 0.304 310 T C -0.959 173.788 174.700 0.079 0.000 1.038 310 T CA -0.929 61.262 62.100 0.152 0.000 1.007 310 T CB 1.270 70.235 68.868 0.162 0.000 1.055 310 T HN 0.673 nan 8.240 nan 0.000 0.451 311 T N 0.538 115.131 114.554 0.064 0.000 2.913 311 T HA 0.654 5.005 4.350 0.001 0.000 0.297 311 T C 0.488 175.203 174.700 0.026 0.000 1.029 311 T CA -0.861 61.261 62.100 0.036 0.000 1.104 311 T CB 0.828 69.711 68.868 0.026 0.000 0.964 311 T HN 0.772 nan 8.240 nan 0.000 0.532 312 A N 2.819 125.651 122.820 0.020 0.000 2.363 312 A HA 0.622 4.942 4.320 0.001 0.000 0.270 312 A C 0.086 177.676 177.584 0.010 0.000 1.121 312 A CA -0.873 51.172 52.037 0.014 0.000 0.800 312 A CB -0.243 18.766 19.000 0.016 0.000 1.052 312 A HN 0.892 nan 8.150 nan 0.000 0.493 313 I N 2.419 122.992 120.570 0.004 0.000 2.382 313 I HA 0.361 4.532 4.170 0.001 0.000 0.286 313 I C 0.813 176.932 176.117 0.004 0.000 1.002 313 I CA -0.400 60.901 61.300 0.002 0.000 1.135 313 I CB 1.626 39.623 38.000 -0.006 0.000 1.288 313 I HN 0.759 nan 8.210 nan 0.000 0.448 314 A N 4.738 127.562 122.820 0.006 0.000 2.573 314 A HA 0.352 4.673 4.320 0.001 0.000 0.250 314 A C 1.416 179.004 177.584 0.007 0.000 1.049 314 A CA 0.981 53.023 52.037 0.008 0.000 0.767 314 A CB -0.544 18.461 19.000 0.008 0.000 0.965 314 A HN 1.309 nan 8.150 nan 0.000 0.514 315 G N 0.918 109.724 108.800 0.010 0.000 2.179 315 G HA2 -0.251 3.710 3.960 0.001 0.000 0.260 315 G HA3 -0.251 3.710 3.960 0.001 0.000 0.260 315 G C 0.678 175.581 174.900 0.005 0.000 0.977 315 G CA 0.822 45.927 45.100 0.009 0.000 0.641 315 G HN 1.434 nan 8.290 nan 0.000 0.533 316 V N 0.004 119.918 119.914 0.000 0.000 3.058 316 V HA 0.423 4.543 4.120 0.001 0.000 0.233 316 V C 0.873 176.958 176.094 -0.015 0.000 1.255 316 V CA 1.716 64.011 62.300 -0.009 0.000 1.267 316 V CB 0.436 32.251 31.823 -0.014 0.000 1.049 316 V HN 0.916 nan 8.190 nan 0.000 0.486 317 R N -0.113 120.379 120.500 -0.012 0.000 2.710 317 R HA 0.665 5.006 4.340 0.001 0.000 0.270 317 R C -0.353 175.946 176.300 -0.002 0.000 1.021 317 R CA -0.278 55.811 56.100 -0.018 0.000 0.889 317 R CB 1.390 31.669 30.300 -0.035 0.000 1.243 317 R HN 0.148 nan 8.270 nan 0.000 0.464 318 G N 0.383 109.184 108.800 0.002 0.000 2.477 318 G HA2 0.407 4.367 3.960 0.001 0.000 0.304 318 G HA3 0.407 4.367 3.960 0.001 0.000 0.304 318 G C -0.339 174.571 174.900 0.017 0.000 1.175 318 G CA -0.657 44.455 45.100 0.019 0.000 0.907 318 G HN 0.724 nan 8.290 nan 0.000 0.509 319 S N -1.530 114.183 115.700 0.021 0.000 2.603 319 S HA 0.441 4.912 4.470 0.001 0.000 0.268 319 S C -0.259 174.356 174.600 0.025 0.000 1.317 319 S CA -0.629 57.586 58.200 0.024 0.000 1.012 319 S CB 1.178 64.390 63.200 0.019 0.000 0.926 319 S HN 0.618 nan 8.310 nan 0.000 0.539 320 C N 1.552 120.872 119.300 0.034 0.000 2.340 320 C HA 0.761 5.222 4.460 0.001 0.000 0.323 320 C C 1.623 176.611 174.990 -0.005 0.000 1.260 320 C CA -0.306 58.730 59.018 0.029 0.000 1.464 320 C CB 0.340 28.125 27.740 0.075 0.000 2.156 320 C HN 1.106 nan 8.230 nan 0.000 0.476 321 A N 2.869 125.641 122.820 -0.079 0.000 1.930 321 A HA 0.346 4.666 4.320 0.001 0.000 0.217 321 A C 1.671 179.138 177.584 -0.194 0.000 1.175 321 A CA 1.435 53.365 52.037 -0.178 0.000 0.627 321 A CB -0.680 18.101 19.000 -0.366 0.000 0.815 321 A HN 2.330 nan 8.150 nan 0.000 0.443 322 A N -0.602 122.114 122.820 -0.174 0.000 2.519 322 A HA -0.168 4.152 4.320 0.001 0.000 0.297 322 A C 0.655 178.107 177.584 -0.220 0.000 1.472 322 A CA 0.848 52.824 52.037 -0.103 0.000 0.739 322 A CB -2.256 16.773 19.000 0.048 0.000 1.096 322 A HN 0.575 nan 8.150 nan 0.000 0.414 323 N N -0.826 117.554 118.700 -0.533 0.000 2.412 323 N HA 0.088 4.829 4.740 0.001 0.000 0.184 323 N C 0.271 175.592 175.510 -0.315 0.000 1.101 323 N CA 0.878 53.539 53.050 -0.648 0.000 0.881 323 N CB 0.288 37.814 38.487 -1.600 0.000 0.969 323 N HN 0.516 nan 8.380 nan 0.000 0.459 324 V N 2.770 122.623 119.914 -0.101 0.000 2.408 324 V HA 0.142 4.263 4.120 0.001 0.000 0.267 324 V C 0.236 176.346 176.094 0.027 0.000 1.047 324 V CA -0.242 62.120 62.300 0.104 0.000 0.937 324 V CB 0.955 32.910 31.823 0.221 0.000 0.999 324 V HN -0.056 nan 8.190 nan 0.000 0.472 325 K N 3.700 124.134 120.400 0.057 0.000 2.203 325 K HA 0.604 4.925 4.320 0.001 0.000 0.251 325 K C -0.752 175.911 176.600 0.105 0.000 0.944 325 K CA -0.798 55.504 56.287 0.025 0.000 0.829 325 K CB 2.371 34.869 32.500 -0.004 0.000 1.125 325 K HN 0.343 nan 8.250 nan 0.000 0.430 326 V N 2.290 122.274 119.914 0.117 0.000 2.461 326 V HA 0.114 4.234 4.120 0.001 0.000 0.275 326 V C 0.344 176.581 176.094 0.240 0.000 1.047 326 V CA -0.988 61.478 62.300 0.276 0.000 0.955 326 V CB 1.334 33.377 31.823 0.367 0.000 0.988 326 V HN 0.387 nan 8.190 nan 0.000 0.471 327 V N 4.932 125.013 119.914 0.278 0.000 2.485 327 V HA -0.026 4.094 4.120 0.001 0.000 0.287 327 V C 1.466 177.615 176.094 0.093 0.000 1.022 327 V CA 0.212 62.609 62.300 0.162 0.000 1.067 327 V CB 0.123 32.031 31.823 0.141 0.000 0.967 327 V HN 0.973 nan 8.190 nan 0.000 0.479 328 H N 4.071 123.016 119.070 -0.209 0.000 2.421 328 H HA -0.132 4.424 4.556 0.001 0.000 0.298 328 H C 2.208 177.293 175.328 -0.405 0.000 1.087 328 H CA 2.138 57.918 56.048 -0.447 0.000 1.330 328 H CB 0.109 29.281 29.762 -0.984 0.000 1.388 328 H HN 0.884 nan 8.280 nan 0.000 0.526 329 T N -2.141 112.216 114.554 -0.328 0.000 2.881 329 T HA -0.209 4.141 4.350 0.001 0.000 0.270 329 T C 1.912 176.599 174.700 -0.021 0.000 1.068 329 T CA 1.147 63.126 62.100 -0.203 0.000 1.131 329 T CB -0.685 68.122 68.868 -0.102 0.000 0.871 329 T HN 0.284 nan 8.240 nan 0.000 0.479 330 F N 2.469 122.363 119.950 -0.094 0.000 2.113 330 F HA 0.068 4.596 4.527 0.001 0.000 0.297 330 F C 2.212 178.072 175.800 0.099 0.000 1.103 330 F CA 0.175 58.196 58.000 0.035 0.000 1.248 330 F CB -0.758 38.306 39.000 0.107 0.000 0.999 330 F HN 0.015 nan 8.300 nan 0.000 0.475 331 V N 1.174 121.024 119.914 -0.105 0.000 2.287 331 V HA -0.335 3.786 4.120 0.001 0.000 0.248 331 V C 2.625 178.580 176.094 -0.233 0.000 1.053 331 V CA 2.141 64.309 62.300 -0.221 0.000 1.027 331 V CB -0.958 30.653 31.823 -0.353 0.000 0.646 331 V HN 0.380 nan 8.190 nan 0.000 0.447 332 L N -0.245 120.780 121.223 -0.330 0.000 2.012 332 L HA -0.206 4.134 4.340 0.001 0.000 0.210 332 L C 2.448 179.298 176.870 -0.034 0.000 1.073 332 L CA 1.726 56.461 54.840 -0.176 0.000 0.748 332 L CB -0.894 41.058 42.059 -0.178 0.000 0.891 332 L HN 0.336 nan 8.230 nan 0.000 0.431 333 D N -0.709 119.700 120.400 0.015 0.000 2.104 333 D HA -0.234 4.406 4.640 0.001 0.000 0.194 333 D C 1.868 178.253 176.300 0.141 0.000 0.994 333 D CA 1.100 55.161 54.000 0.102 0.000 0.830 333 D CB -0.254 40.647 40.800 0.170 0.000 0.959 333 D HN 0.370 nan 8.370 nan 0.000 0.452 334 W N 1.970 123.169 121.300 -0.168 0.000 2.402 334 W HA -0.005 4.656 4.660 0.001 0.000 0.286 334 W C 2.090 178.430 176.519 -0.300 0.000 1.221 334 W CA 0.587 57.708 57.345 -0.373 0.000 1.257 334 W CB -0.371 28.718 29.460 -0.618 0.000 1.120 334 W HN -0.018 nan 8.180 nan 0.000 0.551 335 R N 0.047 120.548 120.500 0.001 0.000 2.193 335 R HA -0.143 4.197 4.340 0.001 0.000 0.229 335 R C 1.773 178.060 176.300 -0.022 0.000 1.110 335 R CA 1.156 57.218 56.100 -0.064 0.000 0.988 335 R CB -0.197 30.073 30.300 -0.050 0.000 0.871 335 R HN 0.060 nan 8.270 nan 0.000 0.458 336 E N 0.684 120.900 120.200 0.027 0.000 2.204 336 E HA -0.105 4.245 4.350 0.001 0.000 0.194 336 E C -0.083 176.546 176.600 0.048 0.000 0.989 336 E CA 0.879 57.305 56.400 0.044 0.000 0.824 336 E CB -0.023 29.718 29.700 0.069 0.000 0.756 336 E HN 0.256 nan 8.360 nan 0.000 0.477 337 D N 1.023 121.455 120.400 0.053 0.000 2.631 337 D HA 0.056 4.697 4.640 0.001 0.000 0.227 337 D C 1.226 177.496 176.300 -0.050 0.000 1.146 337 D CA -0.102 53.939 54.000 0.070 0.000 1.009 337 D CB 0.755 41.633 40.800 0.131 0.000 1.057 337 D HN -0.189 nan 8.370 nan 0.000 0.509 338 V N 0.674 120.565 119.914 -0.038 0.000 2.324 338 V HA -0.262 3.858 4.120 0.001 0.000 0.250 338 V C 2.096 178.093 176.094 -0.162 0.000 1.060 338 V CA 1.702 63.945 62.300 -0.095 0.000 1.042 338 V CB -0.275 31.522 31.823 -0.043 0.000 0.650 338 V HN 0.379 nan 8.190 nan 0.000 0.450 339 S N -1.260 114.367 115.700 -0.122 0.000 2.607 339 S HA -0.034 4.436 4.470 0.001 0.000 0.224 339 S C 0.815 175.026 174.600 -0.648 0.000 0.969 339 S CA 0.078 58.162 58.200 -0.194 0.000 0.927 339 S CB -0.392 62.858 63.200 0.083 0.000 0.772 339 S HN 0.624 nan 8.310 nan 0.000 0.533 340 D N 2.195 122.048 120.400 -0.911 0.000 2.342 340 D HA 0.037 4.677 4.640 0.001 0.000 0.260 340 D C 1.168 177.097 176.300 -0.618 0.000 1.278 340 D CA -0.240 53.102 54.000 -1.098 0.000 0.910 340 D CB 0.297 40.722 40.800 -0.625 0.000 1.079 340 D HN 0.377 nan 8.370 nan 0.000 0.496 341 I N 1.433 121.720 120.570 -0.471 0.000 3.111 341 I HA -0.022 4.149 4.170 0.001 0.000 0.272 341 I C 1.715 177.656 176.117 -0.293 0.000 1.268 341 I CA 0.181 61.303 61.300 -0.297 0.000 1.467 341 I CB 0.081 37.993 38.000 -0.147 0.000 1.087 341 I HN 0.090 nan 8.210 nan 0.000 0.467 342 R N 1.120 121.391 120.500 -0.382 0.000 2.148 342 R HA -0.062 4.279 4.340 0.001 0.000 0.227 342 R C 2.396 178.398 176.300 -0.498 0.000 1.103 342 R CA 1.124 56.990 56.100 -0.391 0.000 0.983 342 R CB -0.412 29.697 30.300 -0.319 0.000 0.874 342 R HN 0.446 nan 8.270 nan 0.000 0.451 343 R N 1.182 121.061 120.500 -1.034 0.000 2.082 343 R HA -0.170 4.170 4.340 0.001 0.000 0.234 343 R C 1.169 177.010 176.300 -0.765 0.000 1.136 343 R CA 2.148 57.220 56.100 -1.712 0.000 0.935 343 R CB -0.152 29.026 30.300 -1.871 0.000 0.842 343 R HN 0.123 nan 8.270 nan 0.000 0.430 344 D N 0.369 120.487 120.400 -0.471 0.000 2.219 344 D HA -0.107 4.533 4.640 0.001 0.000 0.205 344 D C 1.875 178.120 176.300 -0.092 0.000 0.970 344 D CA 0.851 54.713 54.000 -0.230 0.000 0.851 344 D CB 0.031 40.728 40.800 -0.173 0.000 0.943 344 D HN 0.329 nan 8.370 nan 0.000 0.488 345 L N 0.168 121.358 121.223 -0.055 0.000 2.395 345 L HA -0.022 4.319 4.340 0.001 0.000 0.218 345 L C 2.079 178.969 176.870 0.033 0.000 1.130 345 L CA 0.535 55.433 54.840 0.097 0.000 0.826 345 L CB 0.131 42.374 42.059 0.307 0.000 0.941 345 L HN -0.107 nan 8.230 nan 0.000 0.451 346 S N -0.890 114.820 115.700 0.016 0.000 2.475 346 S HA 0.300 4.771 4.470 0.001 0.000 0.224 346 S C 0.756 175.500 174.600 0.240 0.000 1.042 346 S CA 0.144 58.436 58.200 0.154 0.000 0.935 346 S CB 0.514 63.967 63.200 0.422 0.000 0.801 346 S HN 0.092 nan 8.310 nan 0.000 0.509 347 I N 1.396 122.029 120.570 0.106 0.000 2.465 347 I HA 0.532 4.703 4.170 0.001 0.000 0.291 347 I C -0.593 175.478 176.117 -0.077 0.000 1.014 347 I CA -0.853 60.496 61.300 0.081 0.000 1.093 347 I CB 1.833 39.932 38.000 0.165 0.000 1.267 347 I HN 0.029 nan 8.210 nan 0.000 0.431 348 A N 4.504 127.206 122.820 -0.197 0.000 2.249 348 A HA 0.373 4.693 4.320 0.001 0.000 0.314 348 A C 0.438 177.716 177.584 -0.510 0.000 1.290 348 A CA -0.627 51.120 52.037 -0.483 0.000 0.893 348 A CB 0.137 18.588 19.000 -0.915 0.000 1.165 348 A HN 0.801 nan 8.150 nan 0.000 0.530 349 N N 1.417 119.821 118.700 -0.494 0.000 2.313 349 N HA 0.118 4.859 4.740 0.001 0.000 0.207 349 N C -0.430 175.042 175.510 -0.064 0.000 1.141 349 N CA 0.049 52.654 53.050 -0.742 0.000 0.830 349 N CB -0.500 37.568 38.487 -0.697 0.000 1.008 349 N HN 0.659 nan 8.380 nan 0.000 0.481 350 Y N -1.466 118.773 120.300 -0.101 0.000 2.609 350 Y HA 0.629 5.179 4.550 0.001 0.000 0.342 350 Y C -0.531 175.083 175.900 -0.477 0.000 1.058 350 Y CA -1.417 56.498 58.100 -0.310 0.000 1.055 350 Y CB 0.880 39.131 38.460 -0.348 0.000 1.292 350 Y HN 0.119 nan 8.280 nan 0.000 0.476 351 Q N 0.156 119.615 119.800 -0.568 0.000 2.544 351 Q HA 0.593 4.934 4.340 0.001 0.000 0.291 351 Q C -2.248 173.445 176.000 -0.513 0.000 1.068 351 Q CA -1.173 54.269 55.803 -0.603 0.000 0.785 351 Q CB 2.576 30.787 28.738 -0.879 0.000 1.481 351 Q HN 0.736 nan 8.270 nan 0.000 0.430 352 Y N 0.853 121.106 120.300 -0.077 0.000 2.328 352 Y HA 0.404 4.954 4.550 0.001 0.000 0.336 352 Y C 0.355 176.210 175.900 -0.076 0.000 0.960 352 Y CA -0.437 57.633 58.100 -0.049 0.000 1.134 352 Y CB 2.161 40.620 38.460 -0.002 0.000 1.166 352 Y HN 0.802 nan 8.280 nan 0.000 0.464 353 T N -2.451 112.143 114.554 0.066 0.000 2.849 353 T HA 0.183 4.533 4.350 0.001 0.000 0.276 353 T C 0.735 175.457 174.700 0.037 0.000 0.971 353 T CA -0.570 61.539 62.100 0.016 0.000 0.949 353 T CB 0.853 69.706 68.868 -0.024 0.000 1.093 353 T HN 0.460 nan 8.240 nan 0.000 0.545 354 D N 0.709 121.119 120.400 0.016 0.000 2.158 354 D HA -0.058 4.583 4.640 0.001 0.000 0.197 354 D C 2.058 178.363 176.300 0.009 0.000 0.995 354 D CA 2.207 56.214 54.000 0.011 0.000 0.846 354 D CB -0.371 40.432 40.800 0.005 0.000 0.941 354 D HN 0.855 nan 8.370 nan 0.000 0.456 355 T N -4.019 110.541 114.554 0.010 0.000 3.010 355 T HA 0.269 4.619 4.350 0.001 0.000 0.257 355 T C 0.579 175.289 174.700 0.016 0.000 1.020 355 T CA -0.423 61.681 62.100 0.007 0.000 0.938 355 T CB 1.186 70.054 68.868 -0.000 0.000 1.049 355 T HN -0.034 nan 8.240 nan 0.000 0.522 356 K N 0.508 120.930 120.400 0.036 0.000 2.607 356 K HA 0.390 4.711 4.320 0.001 0.000 0.287 356 K C -1.962 174.692 176.600 0.090 0.000 0.996 356 K CA -0.812 55.502 56.287 0.046 0.000 0.876 356 K CB 2.072 34.574 32.500 0.003 0.000 1.496 356 K HN 0.015 nan 8.250 nan 0.000 0.415 357 K N 1.666 122.114 120.400 0.081 0.000 2.276 357 K HA 0.238 4.558 4.320 0.001 0.000 0.285 357 K C -1.281 175.251 176.600 -0.113 0.000 1.062 357 K CA -0.073 56.192 56.287 -0.036 0.000 0.918 357 K CB 1.204 33.664 32.500 -0.067 0.000 1.055 357 K HN 0.455 nan 8.250 nan 0.000 0.477 358 S N 4.704 120.303 115.700 -0.168 0.000 2.538 358 S HA 0.420 4.891 4.470 0.001 0.000 0.288 358 S C -0.580 173.916 174.600 -0.174 0.000 1.108 358 S CA -0.905 57.205 58.200 -0.150 0.000 0.971 358 S CB 0.689 63.794 63.200 -0.158 0.000 1.041 358 S HN 0.593 nan 8.310 nan 0.000 0.483 359 L N 4.294 125.465 121.223 -0.087 0.000 2.456 359 L HA 0.170 4.511 4.340 0.001 0.000 0.272 359 L C 0.849 177.713 176.870 -0.011 0.000 1.189 359 L CA -0.170 54.659 54.840 -0.018 0.000 0.846 359 L CB 0.400 42.488 42.059 0.048 0.000 1.111 359 L HN 0.923 nan 8.230 nan 0.000 0.475 360 W N 1.549 122.889 121.300 0.067 0.000 2.342 360 W HA -0.178 4.483 4.660 0.001 0.000 0.297 360 W C 2.148 178.735 176.519 0.113 0.000 1.213 360 W CA 1.282 58.692 57.345 0.108 0.000 1.251 360 W CB -0.112 29.473 29.460 0.209 0.000 1.136 360 W HN 0.556 nan 8.180 nan 0.000 0.526 361 V N -1.795 118.334 119.914 0.358 0.000 3.217 361 V HA 0.277 4.397 4.120 0.001 0.000 0.264 361 V C 0.977 177.159 176.094 0.146 0.000 1.135 361 V CA 0.405 62.849 62.300 0.240 0.000 1.142 361 V CB -1.759 30.190 31.823 0.209 0.000 0.754 361 V HN 0.056 nan 8.190 nan 0.000 0.484 362 A N 1.094 123.979 122.820 0.109 0.000 2.404 362 A HA 0.677 4.997 4.320 0.001 0.000 0.273 362 A C 0.733 178.345 177.584 0.048 0.000 1.144 362 A CA 0.429 52.499 52.037 0.055 0.000 0.806 362 A CB -0.200 18.811 19.000 0.017 0.000 1.080 362 A HN 0.726 nan 8.150 nan 0.000 0.509 363 G N 0.163 108.989 108.800 0.042 0.000 2.511 363 G HA2 0.510 4.471 3.960 0.001 0.000 0.316 363 G HA3 0.510 4.471 3.960 0.001 0.000 0.316 363 G C 1.096 176.008 174.900 0.019 0.000 1.210 363 G CA 0.040 45.161 45.100 0.035 0.000 0.969 363 G HN 1.245 nan 8.290 nan 0.000 0.492 364 A N -0.043 122.787 122.820 0.016 0.000 1.927 364 A HA -0.084 4.236 4.320 0.001 0.000 0.220 364 A C 2.399 179.988 177.584 0.007 0.000 1.185 364 A CA 2.547 54.589 52.037 0.009 0.000 0.639 364 A CB -0.616 18.391 19.000 0.011 0.000 0.820 364 A HN 0.585 nan 8.150 nan 0.000 0.451 365 S N 0.020 115.726 115.700 0.009 0.000 2.593 365 S HA 0.053 4.523 4.470 0.001 0.000 0.217 365 S C 0.231 174.835 174.600 0.007 0.000 0.966 365 S CA -0.234 57.970 58.200 0.007 0.000 0.914 365 S CB -0.196 63.008 63.200 0.007 0.000 0.776 365 S HN 0.550 nan 8.310 nan 0.000 0.523 366 D N 2.743 123.149 120.400 0.010 0.000 2.357 366 D HA 0.259 4.899 4.640 0.001 0.000 0.242 366 D C 0.691 176.994 176.300 0.005 0.000 1.153 366 D CA 0.491 54.498 54.000 0.011 0.000 0.918 366 D CB 1.232 42.042 40.800 0.018 0.000 1.181 366 D HN 0.312 nan 8.370 nan 0.000 0.435 367 T N -2.329 112.228 114.554 0.005 0.000 2.905 367 T HA 0.282 4.633 4.350 0.001 0.000 0.283 367 T C 0.536 175.236 174.700 -0.000 0.000 1.031 367 T CA -0.691 61.409 62.100 0.000 0.000 1.002 367 T CB 1.048 69.916 68.868 0.000 0.000 1.200 367 T HN 0.026 nan 8.240 nan 0.000 0.560 368 D N 0.351 120.747 120.400 -0.005 0.000 2.178 368 D HA 0.068 4.709 4.640 0.001 0.000 0.202 368 D C 2.421 178.720 176.300 -0.002 0.000 0.974 368 D CA 1.742 55.738 54.000 -0.008 0.000 0.841 368 D CB -0.191 40.599 40.800 -0.016 0.000 0.953 368 D HN 0.819 nan 8.370 nan 0.000 0.478 369 E N 0.747 120.947 120.200 -0.000 0.000 2.028 369 E HA -0.192 4.159 4.350 0.001 0.000 0.191 369 E C 2.085 178.690 176.600 0.010 0.000 0.988 369 E CA 1.664 58.066 56.400 0.003 0.000 0.799 369 E CB -1.186 28.515 29.700 0.001 0.000 0.755 369 E HN 0.397 nan 8.360 nan 0.000 0.447 370 S N 0.352 116.059 115.700 0.011 0.000 2.383 370 S HA 0.183 4.653 4.470 0.001 0.000 0.227 370 S C 2.536 177.151 174.600 0.026 0.000 1.026 370 S CA 1.421 59.631 58.200 0.016 0.000 0.981 370 S CB -0.285 62.923 63.200 0.013 0.000 0.818 370 S HN 0.929 nan 8.310 nan 0.000 0.472 371 A N 2.202 125.038 122.820 0.026 0.000 1.902 371 A HA 0.280 4.600 4.320 0.001 0.000 0.217 371 A C 2.535 180.150 177.584 0.051 0.000 1.181 371 A CA 1.767 53.829 52.037 0.041 0.000 0.623 371 A CB -1.455 17.564 19.000 0.032 0.000 0.818 371 A HN 0.853 nan 8.150 nan 0.000 0.443 372 A N -0.411 122.430 122.820 0.035 0.000 1.930 372 A HA -0.159 4.161 4.320 0.001 0.000 0.217 372 A C 2.039 179.651 177.584 0.047 0.000 1.175 372 A CA 1.744 53.803 52.037 0.037 0.000 0.627 372 A CB -0.506 18.504 19.000 0.016 0.000 0.815 372 A HN 0.685 nan 8.150 nan 0.000 0.443 373 E N 0.116 120.339 120.200 0.039 0.000 2.051 373 E HA -0.222 4.129 4.350 0.001 0.000 0.192 373 E C 1.925 178.558 176.600 0.056 0.000 0.991 373 E CA 1.443 57.867 56.400 0.040 0.000 0.799 373 E CB -0.131 29.586 29.700 0.028 0.000 0.748 373 E HN 0.609 nan 8.360 nan 0.000 0.449 374 K N 0.304 120.739 120.400 0.059 0.000 2.057 374 K HA -0.184 4.137 4.320 0.001 0.000 0.207 374 K C 1.966 178.633 176.600 0.111 0.000 1.049 374 K CA 1.592 57.923 56.287 0.072 0.000 0.931 374 K CB -0.164 32.377 32.500 0.068 0.000 0.714 374 K HN 0.140 nan 8.250 nan 0.000 0.440 375 D N 0.345 120.823 120.400 0.129 0.000 2.144 375 D HA -0.100 4.540 4.640 0.001 0.000 0.200 375 D C 1.695 178.108 176.300 0.188 0.000 0.978 375 D CA 1.176 55.289 54.000 0.189 0.000 0.833 375 D CB 0.086 40.993 40.800 0.178 0.000 0.961 375 D HN 0.213 nan 8.370 nan 0.000 0.470 376 A N -0.331 122.566 122.820 0.128 0.000 2.014 376 A HA -0.049 4.272 4.320 0.001 0.000 0.218 376 A C 1.079 178.738 177.584 0.124 0.000 1.163 376 A CA 0.651 52.755 52.037 0.112 0.000 0.652 376 A CB -0.120 18.921 19.000 0.069 0.000 0.808 376 A HN 0.199 nan 8.150 nan 0.000 0.449 377 D N -0.210 120.263 120.400 0.121 0.000 2.316 377 D HA 0.225 4.866 4.640 0.001 0.000 0.245 377 D C -1.764 174.639 176.300 0.172 0.000 1.171 377 D CA -2.172 51.898 54.000 0.117 0.000 0.856 377 D CB 1.391 42.237 40.800 0.077 0.000 1.090 377 D HN 0.062 nan 8.370 nan 0.000 0.476 378 P HA -0.105 nan 4.420 nan 0.000 0.225 378 P C 1.039 178.546 177.300 0.344 0.000 1.148 378 P CA 0.976 64.303 63.100 0.379 0.000 0.779 378 P CB -0.034 31.887 31.700 0.368 0.000 0.780 379 T N -4.614 110.022 114.554 0.135 0.000 3.100 379 T HA 0.090 4.440 4.350 0.001 0.000 0.253 379 T C 0.713 175.364 174.700 -0.081 0.000 1.118 379 T CA 0.014 62.103 62.100 -0.019 0.000 1.058 379 T CB -0.308 68.543 68.868 -0.029 0.000 0.953 379 T HN -0.118 nan 8.240 nan 0.000 0.515 380 K N 0.742 121.140 120.400 -0.003 0.000 2.156 380 K HA 0.773 5.093 4.320 0.001 0.000 0.254 380 K C 0.738 177.330 176.600 -0.013 0.000 0.950 380 K CA -0.306 55.966 56.287 -0.025 0.000 0.849 380 K CB 0.938 33.448 32.500 0.017 0.000 1.100 380 K HN 0.715 nan 8.250 nan 0.000 0.434 381 A N 1.250 124.044 122.820 -0.044 0.000 2.783 381 A HA -0.305 4.016 4.320 0.001 0.000 0.292 381 A C 1.437 179.011 177.584 -0.018 0.000 1.495 381 A CA 1.736 53.767 52.037 -0.009 0.000 0.787 381 A CB -2.276 16.762 19.000 0.063 0.000 1.017 381 A HN 0.873 nan 8.150 nan 0.000 0.516 382 Q N -0.596 119.121 119.800 -0.138 0.000 2.124 382 Q HA -0.206 4.135 4.340 0.001 0.000 0.202 382 Q C 2.099 178.161 176.000 0.104 0.000 0.977 382 Q CA 1.743 57.475 55.803 -0.118 0.000 0.850 382 Q CB -0.130 28.187 28.738 -0.702 0.000 0.901 382 Q HN 0.875 nan 8.270 nan 0.000 0.429 383 K N 0.841 121.276 120.400 0.058 0.000 2.009 383 K HA -0.184 4.136 4.320 0.001 0.000 0.210 383 K C 1.676 178.366 176.600 0.150 0.000 1.049 383 K CA 1.503 57.942 56.287 0.254 0.000 0.929 383 K CB 0.034 32.646 32.500 0.187 0.000 0.714 383 K HN 0.119 nan 8.250 nan 0.000 0.440 384 N N 0.883 119.648 118.700 0.108 0.000 2.396 384 N HA -0.092 4.649 4.740 0.001 0.000 0.180 384 N C 1.271 176.790 175.510 0.016 0.000 1.028 384 N CA 0.891 54.009 53.050 0.113 0.000 0.893 384 N CB 0.062 38.699 38.487 0.249 0.000 0.967 384 N HN 0.276 nan 8.380 nan 0.000 0.440 385 K N 0.878 121.246 120.400 -0.054 0.000 2.280 385 K HA -0.080 4.241 4.320 0.001 0.000 0.202 385 K C 1.610 177.886 176.600 -0.541 0.000 1.047 385 K CA 0.782 56.800 56.287 -0.448 0.000 0.942 385 K CB 0.017 32.114 32.500 -0.671 0.000 0.739 385 K HN 0.338 nan 8.250 nan 0.000 0.457 386 Q N 0.236 119.920 119.800 -0.193 0.000 2.436 386 Q HA -0.031 4.309 4.340 0.001 0.000 0.209 386 Q C 0.854 176.710 176.000 -0.241 0.000 0.965 386 Q CA 0.532 56.261 55.803 -0.124 0.000 0.910 386 Q CB 0.121 28.871 28.738 0.019 0.000 0.980 386 Q HN 0.267 nan 8.270 nan 0.000 0.491 387 N N -0.510 117.910 118.700 -0.466 0.000 2.336 387 N HA -0.010 4.730 4.740 0.001 0.000 0.189 387 N C -0.486 174.455 175.510 -0.948 0.000 1.113 387 N CA 0.181 52.699 53.050 -0.887 0.000 0.858 387 N CB 0.315 37.814 38.487 -1.647 0.000 0.970 387 N HN 0.141 nan 8.380 nan 0.000 0.471 388 Y N 1.590 121.524 120.300 -0.610 0.000 2.757 388 Y HA -0.001 4.549 4.550 0.001 0.000 0.344 388 Y C 1.730 177.512 175.900 -0.197 0.000 1.263 388 Y CA -0.519 57.413 58.100 -0.279 0.000 1.493 388 Y CB -0.072 38.368 38.460 -0.033 0.000 1.342 388 Y HN -0.065 nan 8.280 nan 0.000 0.627 389 T N -0.054 114.510 114.554 0.017 0.000 2.864 389 T HA 0.634 4.985 4.350 0.001 0.000 0.289 389 T C -3.008 171.574 174.700 -0.196 0.000 1.082 389 T CA -2.749 59.306 62.100 -0.075 0.000 1.009 389 T CB 2.177 71.038 68.868 -0.012 0.000 1.234 389 T HN 0.111 nan 8.240 nan 0.000 0.526 390 P HA 0.392 nan 4.420 nan 0.000 0.269 390 P C -0.055 177.187 177.300 -0.096 0.000 1.215 390 P CA -0.333 62.550 63.100 -0.362 0.000 0.780 390 P CB 0.415 31.998 31.700 -0.195 0.000 0.898 391 A N 2.301 125.069 122.820 -0.086 0.000 2.343 391 A HA 0.069 4.389 4.320 0.001 0.000 0.223 391 A C 1.610 179.151 177.584 -0.072 0.000 1.214 391 A CA 0.239 52.256 52.037 -0.034 0.000 0.900 391 A CB -0.482 18.526 19.000 0.013 0.000 0.942 391 A HN 0.414 nan 8.150 nan 0.000 0.507 392 K N -0.550 119.578 120.400 -0.453 0.000 2.211 392 K HA -0.111 4.210 4.320 0.001 0.000 0.204 392 K C 0.044 176.210 176.600 -0.723 0.000 1.047 392 K CA 0.968 56.579 56.287 -1.126 0.000 0.935 392 K CB -0.054 30.986 32.500 -2.432 0.000 0.728 392 K HN 0.726 nan 8.250 nan 0.000 0.452 393 W N 1.790 123.231 121.300 0.235 0.000 1.903 393 W HA 0.137 4.797 4.660 0.001 0.000 0.349 393 W C -0.343 176.365 176.519 0.314 0.000 0.814 393 W CA -1.184 56.354 57.345 0.322 0.000 2.728 393 W CB -0.154 29.486 29.460 0.300 0.000 1.621 393 W HN -0.053 nan 8.180 nan 0.000 0.644 394 D N 1.773 122.447 120.400 0.456 0.000 2.348 394 D HA 0.078 4.719 4.640 0.001 0.000 0.259 394 D C 1.116 177.610 176.300 0.322 0.000 1.296 394 D CA 0.360 54.570 54.000 0.350 0.000 0.931 394 D CB 0.460 41.420 40.800 0.265 0.000 1.067 394 D HN 0.134 nan 8.370 nan 0.000 0.503 395 I N 2.627 123.356 120.570 0.265 0.000 2.252 395 I HA -0.281 3.889 4.170 0.001 0.000 0.245 395 I C 2.264 178.420 176.117 0.066 0.000 1.102 395 I CA 0.682 62.095 61.300 0.189 0.000 1.385 395 I CB -0.054 38.026 38.000 0.133 0.000 1.064 395 I HN 0.401 nan 8.210 nan 0.000 0.414 396 Q N 1.677 121.448 119.800 -0.048 0.000 2.096 396 Q HA -0.279 4.062 4.340 0.001 0.000 0.204 396 Q C 2.083 177.968 176.000 -0.191 0.000 0.982 396 Q CA 1.985 57.635 55.803 -0.255 0.000 0.850 396 Q CB -0.247 28.015 28.738 -0.794 0.000 0.901 396 Q HN 0.335 nan 8.270 nan 0.000 0.422 397 K N -1.659 118.660 120.400 -0.136 0.000 2.062 397 K HA -0.143 4.177 4.320 0.001 0.000 0.205 397 K C 1.440 177.899 176.600 -0.235 0.000 1.051 397 K CA 1.371 57.511 56.287 -0.244 0.000 0.941 397 K CB -0.079 32.139 32.500 -0.470 0.000 0.719 397 K HN 0.273 nan 8.250 nan 0.000 0.440 398 Y N 0.011 120.371 120.300 0.099 0.000 2.479 398 Y HA 0.137 4.688 4.550 0.001 0.000 0.283 398 Y C 0.537 176.485 175.900 0.080 0.000 1.109 398 Y CA -0.314 57.849 58.100 0.105 0.000 1.239 398 Y CB 0.321 38.876 38.460 0.158 0.000 1.108 398 Y HN -0.280 nan 8.280 nan 0.000 0.548 399 V N 2.284 122.322 119.914 0.207 0.000 2.439 399 V HA 0.026 4.146 4.120 0.001 0.000 0.271 399 V C 1.157 177.297 176.094 0.077 0.000 1.040 399 V CA 0.750 63.130 62.300 0.134 0.000 1.002 399 V CB 0.579 32.462 31.823 0.100 0.000 1.000 399 V HN 0.494 nan 8.190 nan 0.000 0.477 400 T N 0.184 114.784 114.554 0.076 0.000 3.065 400 T HA 0.062 4.413 4.350 0.001 0.000 0.252 400 T C 0.750 175.468 174.700 0.031 0.000 1.099 400 T CA 0.459 62.588 62.100 0.048 0.000 1.063 400 T CB -0.037 68.863 68.868 0.053 0.000 0.948 400 T HN 0.720 nan 8.240 nan 0.000 0.506 401 T N -0.042 114.531 114.554 0.032 0.000 2.938 401 T HA 0.564 4.915 4.350 0.001 0.000 0.285 401 T C -0.856 173.848 174.700 0.007 0.000 1.028 401 T CA -1.073 61.041 62.100 0.023 0.000 1.005 401 T CB 1.160 70.049 68.868 0.035 0.000 1.157 401 T HN 0.190 nan 8.240 nan 0.000 0.550 402 N N 0.450 119.155 118.700 0.009 0.000 2.425 402 N HA 0.584 5.324 4.740 0.001 0.000 0.268 402 N C -0.430 175.082 175.510 0.002 0.000 0.991 402 N CA -0.517 52.530 53.050 -0.005 0.000 0.931 402 N CB 1.801 40.292 38.487 0.006 0.000 1.130 402 N HN 0.632 nan 8.380 nan 0.000 0.493 403 S N 1.466 117.135 115.700 -0.050 0.000 4.163 403 S HA 0.514 4.985 4.470 0.001 0.000 0.246 403 S C -1.088 173.486 174.600 -0.043 0.000 1.069 403 S CA -0.730 57.444 58.200 -0.044 0.000 1.544 403 S CB -0.090 63.033 63.200 -0.129 0.000 1.166 403 S HN 0.407 nan 8.310 nan 0.000 0.747 404 F N 1.578 121.531 119.950 0.006 0.000 2.406 404 F HA 0.676 5.204 4.527 0.001 0.000 0.327 404 F C -0.231 175.567 175.800 -0.003 0.000 1.153 404 F CA -0.770 57.224 58.000 -0.009 0.000 1.218 404 F CB -0.026 38.954 39.000 -0.034 0.000 1.215 404 F HN 0.213 nan 8.300 nan 0.000 0.570 405 I N 2.643 123.340 120.570 0.212 0.000 2.339 405 I HA 0.280 4.451 4.170 0.001 0.000 0.290 405 I C -0.445 175.801 176.117 0.215 0.000 0.994 405 I CA -0.323 61.049 61.300 0.120 0.000 1.191 405 I CB 0.960 38.998 38.000 0.064 0.000 1.343 405 I HN 0.717 nan 8.210 nan 0.000 0.458 406 N N 4.666 123.492 118.700 0.209 0.000 2.331 406 N HA 0.268 5.009 4.740 0.001 0.000 0.280 406 N C -0.490 175.082 175.510 0.103 0.000 1.155 406 N CA -0.474 52.690 53.050 0.190 0.000 0.822 406 N CB 1.910 40.591 38.487 0.322 0.000 1.619 406 N HN 0.438 nan 8.380 nan 0.000 0.476 407 N N 0.821 119.556 118.700 0.058 0.000 2.336 407 N HA 0.089 4.830 4.740 0.001 0.000 0.189 407 N C -0.380 175.139 175.510 0.015 0.000 1.113 407 N CA 0.555 53.623 53.050 0.031 0.000 0.858 407 N CB 0.511 39.008 38.487 0.017 0.000 0.970 407 N HN 0.555 nan 8.380 nan 0.000 0.471 408 D N -0.721 119.689 120.400 0.016 0.000 2.415 408 D HA 0.101 4.741 4.640 0.001 0.000 0.269 408 D C 0.164 176.444 176.300 -0.033 0.000 1.099 408 D CA 0.413 54.400 54.000 -0.022 0.000 0.865 408 D CB 1.245 42.017 40.800 -0.048 0.000 1.359 408 D HN -0.035 nan 8.370 nan 0.000 0.506 409 K N 0.857 121.280 120.400 0.039 0.000 2.350 409 K HA 0.637 4.957 4.320 0.001 0.000 0.241 409 K C -0.012 176.714 176.600 0.211 0.000 0.994 409 K CA -0.554 55.769 56.287 0.059 0.000 0.839 409 K CB 2.573 35.083 32.500 0.017 0.000 1.244 409 K HN 0.065 nan 8.250 nan 0.000 0.443 410 S N -0.677 115.121 115.700 0.163 0.000 2.688 410 S HA 0.401 4.872 4.470 0.001 0.000 0.275 410 S C -0.509 174.185 174.600 0.157 0.000 1.175 410 S CA -0.783 57.482 58.200 0.107 0.000 0.818 410 S CB 1.057 64.272 63.200 0.025 0.000 1.157 410 S HN 0.430 nan 8.310 nan 0.000 0.482 411 N N 0.307 119.070 118.700 0.106 0.000 2.251 411 N HA 0.242 4.982 4.740 0.001 0.000 0.217 411 N C -0.360 175.288 175.510 0.229 0.000 1.124 411 N CA 0.031 53.213 53.050 0.221 0.000 0.843 411 N CB 0.537 39.179 38.487 0.259 0.000 1.024 411 N HN 0.456 nan 8.380 nan 0.000 0.501 412 V N 1.935 121.957 119.914 0.180 0.000 2.637 412 V HA 0.054 4.175 4.120 0.001 0.000 0.296 412 V C 0.648 176.934 176.094 0.320 0.000 1.046 412 V CA -0.403 62.043 62.300 0.243 0.000 1.066 412 V CB 0.503 32.486 31.823 0.266 0.000 0.968 412 V HN 0.180 nan 8.190 nan 0.000 0.483 413 N N 2.561 121.467 118.700 0.343 0.000 2.379 413 N HA 0.319 5.060 4.740 0.001 0.000 0.260 413 N C -0.636 175.151 175.510 0.461 0.000 1.254 413 N CA -0.499 52.780 53.050 0.382 0.000 0.958 413 N CB 0.865 39.447 38.487 0.159 0.000 1.208 413 N HN 0.849 nan 8.380 nan 0.000 0.532 414 W N 1.314 122.740 121.300 0.211 0.000 2.647 414 W HA 0.293 4.954 4.660 0.001 0.000 0.328 414 W C -1.342 175.324 176.519 0.245 0.000 1.018 414 W CA -0.520 56.963 57.345 0.230 0.000 1.245 414 W CB 0.540 30.183 29.460 0.305 0.000 1.356 414 W HN 0.422 nan 8.180 nan 0.000 0.443 415 Y N 6.169 126.320 120.300 -0.248 0.000 2.531 415 Y HA -0.006 4.545 4.550 0.001 0.000 0.347 415 Y C 0.855 176.605 175.900 -0.250 0.000 1.024 415 Y CA 0.184 58.206 58.100 -0.131 0.000 1.306 415 Y CB 0.119 38.564 38.460 -0.025 0.000 1.149 415 Y HN 0.445 nan 8.280 nan 0.000 0.527 416 F N 3.329 123.304 119.950 0.041 0.000 2.270 416 F HA 0.216 4.744 4.527 0.001 0.000 0.295 416 F C -0.244 175.714 175.800 0.262 0.000 1.087 416 F CA 0.530 58.626 58.000 0.160 0.000 1.365 416 F CB 0.438 39.477 39.000 0.065 0.000 1.056 416 F HN 0.332 nan 8.300 nan 0.000 0.506 417 L N 1.297 122.627 121.223 0.177 0.000 2.516 417 L HA 0.422 4.763 4.340 0.001 0.000 0.267 417 L C -1.117 175.777 176.870 0.041 0.000 0.957 417 L CA -0.463 54.389 54.840 0.020 0.000 0.860 417 L CB 1.650 43.726 42.059 0.028 0.000 1.265 417 L HN -0.125 nan 8.230 nan 0.000 0.403 418 R N 2.669 123.144 120.500 -0.041 0.000 2.787 418 R HA 0.281 4.621 4.340 0.001 0.000 0.271 418 R C -0.071 176.225 176.300 -0.007 0.000 0.993 418 R CA -0.752 55.298 56.100 -0.084 0.000 0.993 418 R CB 1.390 31.561 30.300 -0.214 0.000 1.155 418 R HN 0.691 nan 8.270 nan 0.000 0.486 419 Y N 1.709 121.942 120.300 -0.113 0.000 2.256 419 Y HA -0.245 4.306 4.550 0.001 0.000 0.288 419 Y C 1.980 177.870 175.900 -0.017 0.000 1.155 419 Y CA 2.122 60.185 58.100 -0.063 0.000 1.203 419 Y CB -0.071 38.362 38.460 -0.046 0.000 0.980 419 Y HN 0.804 nan 8.280 nan 0.000 0.530 420 A N -0.301 122.535 122.820 0.026 0.000 1.933 420 A HA -0.231 4.090 4.320 0.001 0.000 0.218 420 A C 2.099 179.660 177.584 -0.038 0.000 1.175 420 A CA 1.925 53.965 52.037 0.005 0.000 0.628 420 A CB -0.903 18.154 19.000 0.095 0.000 0.814 420 A HN 0.546 nan 8.150 nan 0.000 0.444 421 D N -0.082 120.286 120.400 -0.054 0.000 2.097 421 D HA -0.120 4.521 4.640 0.001 0.000 0.195 421 D C 1.974 178.230 176.300 -0.075 0.000 0.989 421 D CA 1.680 55.631 54.000 -0.081 0.000 0.827 421 D CB -0.190 40.510 40.800 -0.166 0.000 0.966 421 D HN 0.184 nan 8.370 nan 0.000 0.456 422 V N 1.000 120.842 119.914 -0.120 0.000 2.343 422 V HA -0.215 3.906 4.120 0.001 0.000 0.247 422 V C 2.837 178.859 176.094 -0.121 0.000 1.051 422 V CA 1.062 63.288 62.300 -0.124 0.000 1.036 422 V CB -0.495 31.224 31.823 -0.173 0.000 0.654 422 V HN 0.255 nan 8.190 nan 0.000 0.451 423 L N -0.674 120.406 121.223 -0.239 0.000 2.042 423 L HA -0.218 4.123 4.340 0.001 0.000 0.210 423 L C 2.427 179.336 176.870 0.065 0.000 1.076 423 L CA 1.606 56.395 54.840 -0.086 0.000 0.749 423 L CB -0.537 41.448 42.059 -0.124 0.000 0.893 423 L HN 0.315 nan 8.230 nan 0.000 0.432 424 L N -0.765 120.478 121.223 0.034 0.000 2.093 424 L HA -0.216 4.124 4.340 0.001 0.000 0.208 424 L C 2.493 179.432 176.870 0.115 0.000 1.085 424 L CA 1.057 55.933 54.840 0.061 0.000 0.755 424 L CB -0.413 41.674 42.059 0.046 0.000 0.904 424 L HN 0.281 nan 8.230 nan 0.000 0.435 425 L N -1.655 119.648 121.223 0.132 0.000 2.093 425 L HA -0.253 4.087 4.340 0.001 0.000 0.208 425 L C 2.650 179.682 176.870 0.270 0.000 1.085 425 L CA 1.056 56.018 54.840 0.203 0.000 0.755 425 L CB -0.672 41.487 42.059 0.168 0.000 0.904 425 L HN 0.190 nan 8.230 nan 0.000 0.435 426 Y N 1.027 121.378 120.300 0.084 0.000 2.097 426 Y HA -0.311 4.239 4.550 0.001 0.000 0.282 426 Y C 2.497 178.465 175.900 0.113 0.000 1.152 426 Y CA 1.142 59.298 58.100 0.095 0.000 1.136 426 Y CB -0.665 37.825 38.460 0.049 0.000 0.975 426 Y HN 0.111 nan 8.280 nan 0.000 0.498 427 A N 0.074 122.941 122.820 0.079 0.000 1.883 427 A HA -0.271 4.049 4.320 0.001 0.000 0.217 427 A C 2.320 179.979 177.584 0.125 0.000 1.186 427 A CA 2.015 54.083 52.037 0.050 0.000 0.624 427 A CB -1.051 18.027 19.000 0.129 0.000 0.822 427 A HN 0.641 nan 8.150 nan 0.000 0.444 428 E N -0.256 120.021 120.200 0.128 0.000 2.038 428 E HA -0.154 4.197 4.350 0.001 0.000 0.195 428 E C 2.179 178.781 176.600 0.003 0.000 1.000 428 E CA 1.202 57.653 56.400 0.084 0.000 0.803 428 E CB -0.289 29.514 29.700 0.171 0.000 0.750 428 E HN 0.524 nan 8.360 nan 0.000 0.448 429 A N 1.057 123.979 122.820 0.169 0.000 1.902 429 A HA -0.150 4.171 4.320 0.001 0.000 0.217 429 A C 2.250 179.921 177.584 0.146 0.000 1.181 429 A CA 1.194 53.390 52.037 0.265 0.000 0.623 429 A CB -0.719 18.550 19.000 0.448 0.000 0.818 429 A HN 0.324 nan 8.150 nan 0.000 0.443 430 L N -0.447 120.826 121.223 0.083 0.000 2.042 430 L HA -0.243 4.098 4.340 0.001 0.000 0.210 430 L C 2.560 179.334 176.870 -0.160 0.000 1.076 430 L CA 1.805 56.642 54.840 -0.006 0.000 0.749 430 L CB -0.585 41.336 42.059 -0.229 0.000 0.893 430 L HN 0.549 nan 8.230 nan 0.000 0.432 431 N N -0.346 118.226 118.700 -0.213 0.000 2.166 431 N HA -0.199 4.541 4.740 0.001 0.000 0.186 431 N C 1.795 177.119 175.510 -0.309 0.000 1.019 431 N CA 1.216 54.096 53.050 -0.282 0.000 0.856 431 N CB 0.108 38.507 38.487 -0.146 0.000 0.993 431 N HN 0.205 nan 8.380 nan 0.000 0.426 432 E N -0.613 119.339 120.200 -0.414 0.000 2.046 432 E HA -0.158 4.192 4.350 0.001 0.000 0.190 432 E C 1.614 177.935 176.600 -0.466 0.000 0.982 432 E CA 0.646 56.661 56.400 -0.642 0.000 0.800 432 E CB -0.636 28.095 29.700 -1.615 0.000 0.756 432 E HN 0.553 nan 8.360 nan 0.000 0.449 433 W N 2.629 123.654 121.300 -0.459 0.000 2.354 433 W HA -0.131 4.530 4.660 0.001 0.000 0.315 433 W C 1.504 177.699 176.519 -0.541 0.000 1.206 433 W CA 1.271 58.406 57.345 -0.350 0.000 1.290 433 W CB -0.080 29.302 29.460 -0.130 0.000 1.152 433 W HN -0.144 nan 8.180 nan 0.000 0.489 434 K N -0.055 120.011 120.400 -0.556 0.000 2.426 434 K HA -0.033 4.288 4.320 0.001 0.000 0.193 434 K C -0.139 176.230 176.600 -0.385 0.000 1.028 434 K CA 0.659 56.579 56.287 -0.612 0.000 1.047 434 K CB -0.918 31.252 32.500 -0.551 0.000 0.821 434 K HN 0.326 nan 8.250 nan 0.000 0.513 435 H N -0.402 118.558 119.070 -0.184 0.000 2.748 435 H HA -0.134 4.422 4.556 0.001 0.000 0.322 435 H C 0.572 175.800 175.328 -0.167 0.000 1.208 435 H CA 1.043 57.001 56.048 -0.150 0.000 1.151 435 H CB -1.912 27.786 29.762 -0.107 0.000 1.505 435 H HN 0.454 nan 8.280 nan 0.000 0.429 436 G N -0.372 108.332 108.800 -0.160 0.000 2.312 436 G HA2 0.177 4.137 3.960 0.001 0.000 0.347 436 G HA3 0.177 4.137 3.960 0.001 0.000 0.347 436 G C -3.279 171.396 174.900 -0.374 0.000 1.564 436 G CA -0.693 44.283 45.100 -0.207 0.000 0.981 436 G HN 0.103 nan 8.290 nan 0.000 0.678 437 P HA 0.395 nan 4.420 nan 0.000 0.284 437 P C -0.894 176.156 177.300 -0.416 0.000 1.253 437 P CA 0.023 62.605 63.100 -0.864 0.000 0.800 437 P CB 1.698 32.350 31.700 -1.746 0.000 0.961 438 D N 1.191 121.380 120.400 -0.352 0.000 2.592 438 D HA 0.407 5.048 4.640 0.001 0.000 0.259 438 D C 1.295 177.564 176.300 -0.052 0.000 1.144 438 D CA -0.985 52.914 54.000 -0.168 0.000 1.080 438 D CB -0.046 40.635 40.800 -0.200 0.000 1.225 438 D HN 0.203 nan 8.370 nan 0.000 0.619 439 A N -0.342 122.463 122.820 -0.026 0.000 1.908 439 A HA -0.202 4.118 4.320 0.001 0.000 0.218 439 A C 1.845 179.447 177.584 0.029 0.000 1.181 439 A CA 1.814 53.864 52.037 0.023 0.000 0.627 439 A CB -0.930 18.065 19.000 -0.009 0.000 0.818 439 A HN 0.595 nan 8.150 nan 0.000 0.445 440 E N 0.026 120.202 120.200 -0.038 0.000 2.072 440 E HA 0.018 4.369 4.350 0.001 0.000 0.191 440 E C 2.252 178.754 176.600 -0.164 0.000 0.985 440 E CA 1.251 57.617 56.400 -0.058 0.000 0.801 440 E CB -0.497 29.160 29.700 -0.072 0.000 0.750 440 E HN 0.577 nan 8.360 nan 0.000 0.452 441 A N 0.048 122.717 122.820 -0.252 0.000 1.877 441 A HA -0.216 4.104 4.320 0.001 0.000 0.216 441 A C 1.954 179.534 177.584 -0.006 0.000 1.186 441 A CA 1.439 53.324 52.037 -0.253 0.000 0.620 441 A CB -0.991 17.727 19.000 -0.471 0.000 0.822 441 A HN 0.295 nan 8.150 nan 0.000 0.443 442 Y N 0.779 121.067 120.300 -0.020 0.000 2.128 442 Y HA -0.231 4.319 4.550 0.001 0.000 0.284 442 Y C 2.539 178.486 175.900 0.079 0.000 1.154 442 Y CA 1.945 60.107 58.100 0.103 0.000 1.149 442 Y CB -0.349 38.132 38.460 0.035 0.000 0.976 442 Y HN 0.331 nan 8.280 nan 0.000 0.505 443 N N -0.260 118.562 118.700 0.204 0.000 2.149 443 N HA -0.176 4.565 4.740 0.001 0.000 0.188 443 N C 1.939 177.536 175.510 0.144 0.000 1.019 443 N CA 1.338 54.477 53.050 0.149 0.000 0.857 443 N CB -0.696 37.863 38.487 0.119 0.000 0.997 443 N HN 0.400 nan 8.380 nan 0.000 0.426 444 A N 1.086 123.988 122.820 0.136 0.000 1.873 444 A HA -0.040 4.281 4.320 0.001 0.000 0.215 444 A C 2.312 179.963 177.584 0.111 0.000 1.186 444 A CA 0.927 53.051 52.037 0.146 0.000 0.616 444 A CB -0.703 18.401 19.000 0.174 0.000 0.823 444 A HN 0.298 nan 8.150 nan 0.000 0.442 445 I N -0.401 120.229 120.570 0.102 0.000 2.315 445 I HA -0.216 3.955 4.170 0.001 0.000 0.248 445 I C 1.684 177.846 176.117 0.075 0.000 1.117 445 I CA 1.418 62.751 61.300 0.054 0.000 1.404 445 I CB -0.173 37.801 38.000 -0.043 0.000 1.071 445 I HN 0.244 nan 8.210 nan 0.000 0.419 446 N N 1.361 120.129 118.700 0.113 0.000 2.309 446 N HA -0.081 4.660 4.740 0.001 0.000 0.182 446 N C 1.816 177.380 175.510 0.089 0.000 1.018 446 N CA 1.257 54.366 53.050 0.098 0.000 0.876 446 N CB -0.346 38.212 38.487 0.119 0.000 0.972 446 N HN 0.473 nan 8.380 nan 0.000 0.434 447 A N 0.628 123.510 122.820 0.105 0.000 1.902 447 A HA -0.088 4.232 4.320 0.001 0.000 0.217 447 A C 2.445 180.099 177.584 0.117 0.000 1.181 447 A CA 1.312 53.415 52.037 0.111 0.000 0.623 447 A CB -0.711 18.367 19.000 0.131 0.000 0.818 447 A HN 0.097 nan 8.150 nan 0.000 0.443 448 V N -0.062 119.920 119.914 0.113 0.000 2.307 448 V HA -0.249 3.872 4.120 0.001 0.000 0.245 448 V C 2.627 178.807 176.094 0.143 0.000 1.045 448 V CA 2.182 64.559 62.300 0.128 0.000 1.024 448 V CB -0.832 31.056 31.823 0.108 0.000 0.651 448 V HN 0.512 nan 8.190 nan 0.000 0.449 449 R N -0.227 120.345 120.500 0.120 0.000 2.081 449 R HA -0.113 4.227 4.340 0.001 0.000 0.235 449 R C 2.565 178.953 176.300 0.146 0.000 1.131 449 R CA 1.421 57.602 56.100 0.135 0.000 0.960 449 R CB -0.341 29.977 30.300 0.030 0.000 0.856 449 R HN 0.477 nan 8.270 nan 0.000 0.436 450 R N 0.101 120.656 120.500 0.091 0.000 2.083 450 R HA -0.092 4.248 4.340 0.001 0.000 0.237 450 R C 2.449 178.839 176.300 0.150 0.000 1.137 450 R CA 1.097 57.254 56.100 0.095 0.000 0.951 450 R CB -0.296 30.046 30.300 0.069 0.000 0.851 450 R HN 0.069 nan 8.270 nan 0.000 0.434 451 R N 0.680 121.268 120.500 0.146 0.000 2.096 451 R HA -0.083 4.257 4.340 0.001 0.000 0.235 451 R C 2.056 178.451 176.300 0.158 0.000 1.127 451 R CA 1.770 57.961 56.100 0.151 0.000 0.968 451 R CB -0.663 29.733 30.300 0.160 0.000 0.861 451 R HN 0.367 nan 8.270 nan 0.000 0.440 452 G N -1.098 107.804 108.800 0.169 0.000 2.509 452 G HA2 -0.226 3.735 3.960 0.001 0.000 0.218 452 G HA3 -0.226 3.735 3.960 0.001 0.000 0.218 452 G C 0.631 175.578 174.900 0.079 0.000 1.124 452 G CA 0.309 45.460 45.100 0.086 0.000 0.776 452 G HN 0.344 nan 8.290 nan 0.000 0.547 453 Y N 0.138 120.444 120.300 0.009 0.000 2.524 453 Y HA 0.372 4.922 4.550 0.001 0.000 0.266 453 Y C 1.793 177.701 175.900 0.013 0.000 1.180 453 Y CA -0.674 57.429 58.100 0.006 0.000 1.244 453 Y CB 0.326 38.797 38.460 0.018 0.000 1.125 453 Y HN 0.220 nan 8.280 nan 0.000 0.524 454 G N 1.145 110.018 108.800 0.122 0.000 2.198 454 G HA2 -0.333 3.628 3.960 0.001 0.000 0.257 454 G HA3 -0.333 3.628 3.960 0.001 0.000 0.257 454 G C 0.020 174.978 174.900 0.095 0.000 1.042 454 G CA 0.168 45.323 45.100 0.092 0.000 0.791 454 G HN 0.492 nan 8.290 nan 0.000 0.502 455 N N -1.615 117.152 118.700 0.111 0.000 2.708 455 N HA -0.121 4.619 4.740 0.001 0.000 0.255 455 N C -1.707 173.846 175.510 0.072 0.000 1.046 455 N CA 1.325 54.426 53.050 0.085 0.000 0.715 455 N CB -1.160 37.368 38.487 0.068 0.000 0.895 455 N HN 0.673 nan 8.380 nan 0.000 0.545 456 P HA 0.167 nan 4.420 nan 0.000 0.272 456 P C 0.719 178.043 177.300 0.041 0.000 1.223 456 P CA -0.222 62.917 63.100 0.064 0.000 0.784 456 P CB 0.870 32.617 31.700 0.079 0.000 0.923 457 S N 0.623 116.342 115.700 0.032 0.000 2.368 457 S HA -0.127 4.343 4.470 0.001 0.000 0.224 457 S C 1.050 175.660 174.600 0.016 0.000 1.029 457 S CA 1.107 59.321 58.200 0.022 0.000 0.988 457 S CB -0.671 62.540 63.200 0.018 0.000 0.838 457 S HN 0.691 nan 8.310 nan 0.000 0.462 458 N N 1.649 120.358 118.700 0.016 0.000 2.420 458 N HA 0.134 4.875 4.740 0.001 0.000 0.249 458 N C 0.601 176.111 175.510 -0.000 0.000 1.033 458 N CA 0.065 53.119 53.050 0.007 0.000 0.944 458 N CB 1.127 39.619 38.487 0.007 0.000 1.113 458 N HN 0.113 nan 8.380 nan 0.000 0.502 459 T N -0.432 114.116 114.554 -0.011 0.000 3.107 459 T HA 0.055 4.405 4.350 0.001 0.000 0.249 459 T C 1.443 176.114 174.700 -0.049 0.000 1.096 459 T CA 0.120 62.202 62.100 -0.030 0.000 1.012 459 T CB -0.170 68.686 68.868 -0.020 0.000 0.977 459 T HN 0.296 nan 8.240 nan 0.000 0.527 460 S N 1.534 117.214 115.700 -0.034 0.000 2.419 460 S HA 0.032 4.503 4.470 0.001 0.000 0.235 460 S C 2.421 176.993 174.600 -0.047 0.000 1.019 460 S CA 1.049 59.227 58.200 -0.035 0.000 0.982 460 S CB -0.555 62.632 63.200 -0.023 0.000 0.789 460 S HN 0.802 nan 8.310 nan 0.000 0.490 461 A N 0.690 123.480 122.820 -0.051 0.000 1.874 461 A HA -0.098 4.222 4.320 0.001 0.000 0.214 461 A C 2.499 179.974 177.584 -0.180 0.000 1.189 461 A CA 1.394 53.395 52.037 -0.060 0.000 0.615 461 A CB -1.081 17.917 19.000 -0.004 0.000 0.830 461 A HN 0.782 nan 8.150 nan 0.000 0.443 462 C N -1.146 117.963 119.300 -0.319 0.000 2.485 462 C HA 0.168 4.629 4.460 0.001 0.000 0.278 462 C C 0.451 175.203 174.990 -0.396 0.000 1.356 462 C CA -0.760 57.826 59.018 -0.719 0.000 1.747 462 C CB -1.178 26.041 27.740 -0.868 0.000 2.001 462 C HN 0.408 nan 8.230 nan 0.000 0.501 463 D N 1.662 121.950 120.400 -0.186 0.000 2.414 463 D HA 0.340 4.981 4.640 0.001 0.000 0.242 463 D C -0.159 176.132 176.300 -0.016 0.000 1.129 463 D CA 0.126 54.084 54.000 -0.070 0.000 0.885 463 D CB 0.537 41.323 40.800 -0.024 0.000 1.198 463 D HN 0.144 nan 8.370 nan 0.000 0.437 464 L N 4.632 125.892 121.223 0.063 0.000 2.513 464 L HA 0.157 4.497 4.340 0.001 0.000 0.272 464 L C -1.798 175.199 176.870 0.213 0.000 1.187 464 L CA -0.888 54.034 54.840 0.136 0.000 0.895 464 L CB -0.108 42.056 42.059 0.175 0.000 1.147 464 L HN 0.241 nan 8.230 nan 0.000 0.483 465 P HA 0.091 nan 4.420 nan 0.000 0.278 465 P C -0.842 176.523 177.300 0.108 0.000 1.238 465 P CA -0.682 62.467 63.100 0.083 0.000 0.794 465 P CB 0.615 32.346 31.700 0.051 0.000 0.955 466 Q N 0.560 120.276 119.800 -0.140 0.000 2.474 466 Q HA 0.286 4.626 4.340 0.001 0.000 0.256 466 Q C 1.423 177.419 176.000 -0.006 0.000 1.048 466 Q CA 1.255 56.909 55.803 -0.247 0.000 0.922 466 Q CB -0.069 28.497 28.738 -0.286 0.000 1.288 466 Q HN 0.941 nan 8.270 nan 0.000 0.484 467 G N 0.317 109.146 108.800 0.049 0.000 2.184 467 G HA2 -0.199 3.761 3.960 0.001 0.000 0.206 467 G HA3 -0.199 3.761 3.960 0.001 0.000 0.206 467 G C 0.014 174.975 174.900 0.102 0.000 0.995 467 G CA -0.217 44.917 45.100 0.057 0.000 0.651 467 G HN 0.377 nan 8.290 nan 0.000 0.511 468 L N 1.612 122.955 121.223 0.200 0.000 2.453 468 L HA 0.557 4.898 4.340 0.001 0.000 0.261 468 L C 0.776 177.708 176.870 0.105 0.000 1.179 468 L CA -0.366 54.576 54.840 0.170 0.000 0.813 468 L CB 0.546 42.764 42.059 0.265 0.000 1.110 468 L HN 0.439 nan 8.230 nan 0.000 0.466 469 D N -0.769 119.669 120.400 0.063 0.000 2.616 469 D HA 0.088 4.728 4.640 0.001 0.000 0.260 469 D C 0.628 176.935 176.300 0.011 0.000 1.158 469 D CA -0.690 53.319 54.000 0.016 0.000 1.085 469 D CB 0.549 41.352 40.800 0.005 0.000 1.222 469 D HN 0.580 nan 8.370 nan 0.000 0.626 470 E N -0.723 119.465 120.200 -0.021 0.000 2.070 470 E HA -0.232 4.119 4.350 0.001 0.000 0.197 470 E C 1.451 178.049 176.600 -0.003 0.000 1.004 470 E CA 2.081 58.465 56.400 -0.026 0.000 0.805 470 E CB -0.120 29.567 29.700 -0.021 0.000 0.744 470 E HN 0.537 nan 8.360 nan 0.000 0.451 471 T N 0.090 114.640 114.554 -0.007 0.000 2.701 471 T HA -0.162 4.188 4.350 0.001 0.000 0.263 471 T C 2.113 176.798 174.700 -0.025 0.000 1.040 471 T CA 1.746 63.834 62.100 -0.021 0.000 1.147 471 T CB -0.365 68.493 68.868 -0.015 0.000 0.865 471 T HN 0.345 nan 8.240 nan 0.000 0.426 472 S N 1.021 116.722 115.700 0.000 0.000 2.402 472 S HA -0.029 4.441 4.470 0.001 0.000 0.229 472 S C 1.843 176.434 174.600 -0.014 0.000 1.021 472 S CA 0.503 58.699 58.200 -0.007 0.000 0.974 472 S CB -0.850 62.360 63.200 0.017 0.000 0.800 472 S HN 0.435 nan 8.310 nan 0.000 0.484 473 F N 2.835 122.705 119.950 -0.135 0.000 2.146 473 F HA 0.120 4.648 4.527 0.001 0.000 0.298 473 F C 2.698 178.371 175.800 -0.212 0.000 1.096 473 F CA 1.282 59.165 58.000 -0.196 0.000 1.275 473 F CB -0.240 38.607 39.000 -0.255 0.000 1.008 473 F HN 0.104 nan 8.300 nan 0.000 0.480 474 R N 0.391 120.864 120.500 -0.045 0.000 2.083 474 R HA -0.213 4.128 4.340 0.001 0.000 0.237 474 R C 2.450 178.571 176.300 -0.299 0.000 1.137 474 R CA 1.991 57.980 56.100 -0.184 0.000 0.951 474 R CB -0.781 29.417 30.300 -0.171 0.000 0.851 474 R HN 0.337 nan 8.270 nan 0.000 0.434 475 E N -0.121 119.938 120.200 -0.236 0.000 2.085 475 E HA -0.185 4.166 4.350 0.001 0.000 0.194 475 E C 1.797 178.226 176.600 -0.286 0.000 0.994 475 E CA 1.194 57.446 56.400 -0.246 0.000 0.801 475 E CB -0.438 29.168 29.700 -0.157 0.000 0.743 475 E HN 0.623 nan 8.360 nan 0.000 0.453 476 A N 0.608 123.242 122.820 -0.311 0.000 1.902 476 A HA -0.104 4.217 4.320 0.001 0.000 0.217 476 A C 2.655 179.995 177.584 -0.406 0.000 1.181 476 A CA 2.416 54.243 52.037 -0.350 0.000 0.623 476 A CB -1.057 17.699 19.000 -0.407 0.000 0.818 476 A HN 0.807 nan 8.150 nan 0.000 0.443 477 V N -1.955 117.653 119.914 -0.509 0.000 2.358 477 V HA -0.211 3.910 4.120 0.001 0.000 0.246 477 V C 2.248 178.185 176.094 -0.262 0.000 1.047 477 V CA 1.901 63.967 62.300 -0.391 0.000 1.035 477 V CB -1.083 30.527 31.823 -0.355 0.000 0.658 477 V HN 0.495 nan 8.190 nan 0.000 0.452 478 R N 0.744 121.024 120.500 -0.367 0.000 2.096 478 R HA -0.140 4.200 4.340 0.001 0.000 0.235 478 R C 2.543 178.700 176.300 -0.238 0.000 1.127 478 R CA 1.965 57.803 56.100 -0.437 0.000 0.968 478 R CB -0.428 29.325 30.300 -0.912 0.000 0.861 478 R HN 0.626 nan 8.270 nan 0.000 0.440 479 K N 0.985 121.200 120.400 -0.308 0.000 2.057 479 K HA -0.200 4.120 4.320 0.001 0.000 0.206 479 K C 1.966 178.270 176.600 -0.493 0.000 1.050 479 K CA 1.543 57.590 56.287 -0.399 0.000 0.935 479 K CB 0.069 32.325 32.500 -0.408 0.000 0.715 479 K HN -0.093 nan 8.250 nan 0.000 0.439 480 E N 1.015 121.021 120.200 -0.322 0.000 2.118 480 E HA -0.171 4.180 4.350 0.001 0.000 0.195 480 E C 1.841 178.381 176.600 -0.099 0.000 0.992 480 E CA 1.474 57.762 56.400 -0.187 0.000 0.804 480 E CB 0.051 29.688 29.700 -0.105 0.000 0.741 480 E HN 0.258 nan 8.360 nan 0.000 0.458 481 R N -0.181 120.288 120.500 -0.053 0.000 2.127 481 R HA -0.127 4.214 4.340 0.001 0.000 0.238 481 R C 2.605 178.905 176.300 -0.001 0.000 1.134 481 R CA 1.474 57.598 56.100 0.041 0.000 0.975 481 R CB -0.452 29.947 30.300 0.165 0.000 0.865 481 R HN 0.317 nan 8.270 nan 0.000 0.447 482 S N 0.032 115.654 115.700 -0.129 0.000 2.368 482 S HA -0.142 4.329 4.470 0.001 0.000 0.224 482 S C 1.814 176.347 174.600 -0.113 0.000 1.029 482 S CA 0.805 58.879 58.200 -0.211 0.000 0.988 482 S CB -0.463 62.507 63.200 -0.383 0.000 0.838 482 S HN 0.244 nan 8.310 nan 0.000 0.462 483 Y N 1.923 122.051 120.300 -0.287 0.000 2.293 483 Y HA 0.184 4.735 4.550 0.001 0.000 0.291 483 Y C 2.706 178.606 175.900 -0.001 0.000 1.137 483 Y CA 0.766 58.560 58.100 -0.509 0.000 1.202 483 Y CB -0.923 37.258 38.460 -0.467 0.000 0.990 483 Y HN 0.403 nan 8.280 nan 0.000 0.537 484 E N 0.224 120.552 120.200 0.214 0.000 2.086 484 E HA 0.024 4.375 4.350 0.001 0.000 0.190 484 E C 1.198 178.018 176.600 0.367 0.000 0.975 484 E CA 0.978 57.553 56.400 0.292 0.000 0.813 484 E CB -0.205 29.625 29.700 0.217 0.000 0.768 484 E HN 0.420 nan 8.360 nan 0.000 0.457 485 L N 0.964 122.335 121.223 0.247 0.000 2.857 485 L HA 0.307 4.648 4.340 0.001 0.000 0.249 485 L C 0.280 177.272 176.870 0.203 0.000 1.172 485 L CA -0.136 54.872 54.840 0.279 0.000 0.980 485 L CB 0.239 42.460 42.059 0.269 0.000 1.299 485 L HN -0.019 nan 8.230 nan 0.000 0.535 486 S N 0.086 115.813 115.700 0.044 0.000 2.593 486 S HA -0.039 4.431 4.470 0.001 0.000 0.300 486 S C 0.608 175.027 174.600 -0.303 0.000 1.267 486 S CA -0.153 57.800 58.200 -0.412 0.000 1.065 486 S CB -0.164 62.622 63.200 -0.689 0.000 0.807 486 S HN 0.367 nan 8.310 nan 0.000 0.499 487 F N -0.943 119.223 119.950 0.361 0.000 2.748 487 F HA -0.199 4.329 4.527 0.001 0.000 0.370 487 F C 1.041 177.226 175.800 0.640 0.000 0.620 487 F CA 1.084 59.376 58.000 0.487 0.000 1.233 487 F CB -2.427 36.918 39.000 0.575 0.000 1.708 487 F HN 0.716 nan 8.300 nan 0.000 0.298 488 E N 0.390 120.940 120.200 0.583 0.000 2.502 488 E HA 0.379 4.729 4.350 0.001 0.000 0.194 488 E C 1.944 178.634 176.600 0.151 0.000 1.062 488 E CA 0.535 57.182 56.400 0.411 0.000 0.867 488 E CB -0.255 29.670 29.700 0.375 0.000 0.888 488 E HN 0.656 nan 8.360 nan 0.000 0.510 489 G N 1.208 110.104 108.800 0.161 0.000 2.144 489 G HA2 -0.219 3.741 3.960 0.001 0.000 0.218 489 G HA3 -0.219 3.741 3.960 0.001 0.000 0.218 489 G C 0.502 175.278 174.900 -0.206 0.000 0.988 489 G CA -0.005 45.138 45.100 0.072 0.000 0.659 489 G HN 0.368 nan 8.290 nan 0.000 0.522 490 H N -1.002 118.175 119.070 0.179 0.000 2.750 490 H HA 0.222 4.779 4.556 0.001 0.000 0.263 490 H C 2.393 177.718 175.328 -0.006 0.000 0.964 490 H CA 0.847 56.934 56.048 0.065 0.000 1.205 490 H CB 0.309 30.095 29.762 0.040 0.000 1.454 490 H HN 0.346 nan 8.280 nan 0.000 0.503 491 R N 2.130 122.686 120.500 0.092 0.000 2.073 491 R HA -0.082 4.259 4.340 0.001 0.000 0.234 491 R C 2.424 178.723 176.300 -0.002 0.000 1.134 491 R CA 1.551 57.669 56.100 0.031 0.000 0.952 491 R CB -0.253 30.061 30.300 0.023 0.000 0.850 491 R HN 0.181 nan 8.270 nan 0.000 0.433 492 R N -0.372 120.136 120.500 0.015 0.000 2.081 492 R HA -0.102 4.238 4.340 0.001 0.000 0.235 492 R C 1.975 178.178 176.300 -0.161 0.000 1.131 492 R CA 1.589 57.652 56.100 -0.061 0.000 0.960 492 R CB -0.078 30.174 30.300 -0.080 0.000 0.856 492 R HN 0.251 nan 8.270 nan 0.000 0.436 493 Q N 0.508 120.233 119.800 -0.125 0.000 2.167 493 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 493 Q C 1.476 177.347 176.000 -0.215 0.000 0.970 493 Q CA 1.234 56.953 55.803 -0.140 0.000 0.855 493 Q CB -0.117 28.574 28.738 -0.077 0.000 0.911 493 Q HN 0.431 nan 8.270 nan 0.000 0.438 494 D N 0.527 120.727 120.400 -0.332 0.000 2.084 494 D HA -0.083 4.558 4.640 0.001 0.000 0.196 494 D C 2.162 177.870 176.300 -0.987 0.000 0.985 494 D CA 0.705 54.193 54.000 -0.855 0.000 0.826 494 D CB -0.182 40.042 40.800 -0.958 0.000 0.978 494 D HN 0.187 nan 8.370 nan 0.000 0.456 495 L N 0.485 121.492 121.223 -0.359 0.000 2.079 495 L HA -0.159 4.181 4.340 0.001 0.000 0.210 495 L C 2.528 179.482 176.870 0.140 0.000 1.081 495 L CA 0.709 55.611 54.840 0.103 0.000 0.752 495 L CB -0.338 41.914 42.059 0.322 0.000 0.896 495 L HN 0.036 nan 8.230 nan 0.000 0.433 496 I N 0.026 120.604 120.570 0.015 0.000 2.163 496 I HA -0.289 3.881 4.170 0.001 0.000 0.240 496 I C 2.844 179.028 176.117 0.112 0.000 1.081 496 I CA 1.440 62.775 61.300 0.058 0.000 1.353 496 I CB -0.342 37.630 38.000 -0.047 0.000 1.054 496 I HN 0.324 nan 8.210 nan 0.000 0.407 497 R N 0.328 120.837 120.500 0.014 0.000 2.148 497 R HA -0.168 4.172 4.340 0.001 0.000 0.227 497 R C 1.583 178.112 176.300 0.382 0.000 1.103 497 R CA 1.103 57.288 56.100 0.142 0.000 0.983 497 R CB -0.598 29.721 30.300 0.031 0.000 0.874 497 R HN 0.362 nan 8.270 nan 0.000 0.451 498 W N 0.922 122.414 121.300 0.320 0.000 2.800 498 W HA 0.308 4.969 4.660 0.001 0.000 0.249 498 W C 1.112 177.805 176.519 0.290 0.000 1.294 498 W CA 0.740 58.285 57.345 0.333 0.000 1.402 498 W CB -0.506 29.087 29.460 0.222 0.000 1.126 498 W HN 0.509 nan 8.180 nan 0.000 0.652 499 G N 1.635 110.613 108.800 0.296 0.000 2.147 499 G HA2 -0.313 3.648 3.960 0.001 0.000 0.244 499 G HA3 -0.313 3.648 3.960 0.001 0.000 0.244 499 G C 0.492 175.383 174.900 -0.014 0.000 1.005 499 G CA 0.335 45.294 45.100 -0.235 0.000 0.713 499 G HN 0.523 nan 8.290 nan 0.000 0.515 500 I N -3.884 116.802 120.570 0.194 0.000 3.833 500 I HA 0.489 4.659 4.170 0.001 0.000 0.328 500 I C 1.545 177.800 176.117 0.231 0.000 1.554 500 I CA -0.785 60.634 61.300 0.198 0.000 1.116 500 I CB -0.140 37.991 38.000 0.219 0.000 1.182 500 I HN 0.018 nan 8.210 nan 0.000 0.459 501 Y N 1.992 122.375 120.300 0.138 0.000 2.089 501 Y HA -0.281 4.270 4.550 0.001 0.000 0.282 501 Y C 2.433 178.427 175.900 0.157 0.000 1.139 501 Y CA 2.155 60.342 58.100 0.144 0.000 1.123 501 Y CB -0.659 37.886 38.460 0.141 0.000 0.980 501 Y HN 0.354 nan 8.280 nan 0.000 0.493 502 Y N 1.474 121.711 120.300 -0.106 0.000 2.128 502 Y HA -0.293 4.258 4.550 0.001 0.000 0.284 502 Y C 2.693 178.522 175.900 -0.119 0.000 1.154 502 Y CA 2.638 60.638 58.100 -0.168 0.000 1.149 502 Y CB -0.648 37.788 38.460 -0.040 0.000 0.976 502 Y HN 0.202 nan 8.280 nan 0.000 0.505 503 K N -0.813 119.576 120.400 -0.019 0.000 2.074 503 K HA -0.197 4.124 4.320 0.001 0.000 0.209 503 K C 1.844 178.363 176.600 -0.136 0.000 1.048 503 K CA 2.131 58.371 56.287 -0.079 0.000 0.926 503 K CB -0.345 32.183 32.500 0.045 0.000 0.713 503 K HN 0.374 nan 8.250 nan 0.000 0.444 504 T N 0.542 115.043 114.554 -0.088 0.000 2.821 504 T HA -0.074 4.276 4.350 0.001 0.000 0.267 504 T C 1.873 176.508 174.700 -0.108 0.000 1.046 504 T CA 1.221 63.287 62.100 -0.057 0.000 1.139 504 T CB -0.050 68.845 68.868 0.046 0.000 0.871 504 T HN 0.014 nan 8.240 nan 0.000 0.454 505 V N 1.686 121.465 119.914 -0.225 0.000 2.295 505 V HA -0.165 3.956 4.120 0.001 0.000 0.246 505 V C 2.811 178.836 176.094 -0.116 0.000 1.049 505 V CA 1.458 63.674 62.300 -0.140 0.000 1.024 505 V CB -0.574 31.038 31.823 -0.353 0.000 0.648 505 V HN 0.411 nan 8.190 nan 0.000 0.447 506 Q N -0.060 119.536 119.800 -0.340 0.000 2.061 506 Q HA -0.186 4.155 4.340 0.001 0.000 0.204 506 Q C 2.449 178.339 176.000 -0.183 0.000 0.984 506 Q CA 2.061 57.677 55.803 -0.312 0.000 0.846 506 Q CB -0.641 27.806 28.738 -0.485 0.000 0.902 506 Q HN 0.654 nan 8.270 nan 0.000 0.421 507 A N 0.378 123.104 122.820 -0.156 0.000 1.930 507 A HA -0.130 4.191 4.320 0.001 0.000 0.217 507 A C 2.330 179.825 177.584 -0.147 0.000 1.175 507 A CA 1.840 53.807 52.037 -0.116 0.000 0.627 507 A CB -0.686 18.274 19.000 -0.067 0.000 0.815 507 A HN 0.373 nan 8.150 nan 0.000 0.443 508 T N 0.370 114.826 114.554 -0.163 0.000 2.746 508 T HA -0.015 4.336 4.350 0.001 0.000 0.267 508 T C 2.255 176.694 174.700 -0.435 0.000 1.039 508 T CA 1.503 63.428 62.100 -0.291 0.000 1.142 508 T CB -0.480 68.189 68.868 -0.332 0.000 0.866 508 T HN 0.598 nan 8.240 nan 0.000 0.444 509 A N 2.037 124.668 122.820 -0.315 0.000 1.892 509 A HA -0.213 4.108 4.320 0.001 0.000 0.218 509 A C 2.262 179.701 177.584 -0.242 0.000 1.188 509 A CA 1.845 53.763 52.037 -0.200 0.000 0.631 509 A CB -0.508 18.498 19.000 0.010 0.000 0.822 509 A HN 0.484 nan 8.150 nan 0.000 0.447 510 K N -0.686 119.547 120.400 -0.277 0.000 2.026 510 K HA -0.140 4.180 4.320 0.001 0.000 0.208 510 K C 2.020 178.181 176.600 -0.731 0.000 1.048 510 K CA 1.382 57.390 56.287 -0.466 0.000 0.929 510 K CB -0.205 32.055 32.500 -0.400 0.000 0.713 510 K HN 0.417 nan 8.250 nan 0.000 0.439 511 E N 1.104 121.048 120.200 -0.427 0.000 2.077 511 E HA -0.161 4.189 4.350 0.001 0.000 0.193 511 E C 2.158 178.742 176.600 -0.026 0.000 0.989 511 E CA 0.992 57.279 56.400 -0.189 0.000 0.800 511 E CB -0.222 29.456 29.700 -0.036 0.000 0.746 511 E HN 0.301 nan 8.360 nan 0.000 0.452 512 L N 0.187 121.367 121.223 -0.072 0.000 2.083 512 L HA -0.113 4.228 4.340 0.001 0.000 0.209 512 L C 2.495 179.500 176.870 0.226 0.000 1.083 512 L CA 1.258 56.181 54.840 0.137 0.000 0.752 512 L CB -0.656 41.376 42.059 -0.046 0.000 0.899 512 L HN 0.190 nan 8.230 nan 0.000 0.433 513 G N -1.005 107.792 108.800 -0.006 0.000 2.418 513 G HA2 -0.279 3.681 3.960 0.001 0.000 0.217 513 G HA3 -0.279 3.681 3.960 0.001 0.000 0.217 513 G C 1.254 176.261 174.900 0.178 0.000 1.158 513 G CA 0.526 45.641 45.100 0.026 0.000 0.771 513 G HN 0.233 nan 8.290 nan 0.000 0.545 514 Y N -0.774 119.627 120.300 0.168 0.000 2.181 514 Y HA -0.034 4.517 4.550 0.001 0.000 0.288 514 Y C 2.425 178.459 175.900 0.223 0.000 1.146 514 Y CA 0.210 58.406 58.100 0.159 0.000 1.164 514 Y CB -1.061 37.481 38.460 0.136 0.000 0.982 514 Y HN 0.435 nan 8.280 nan 0.000 0.515 515 W N 0.042 121.504 121.300 0.270 0.000 2.358 515 W HA -0.160 4.500 4.660 0.001 0.000 0.303 515 W C 1.138 177.798 176.519 0.234 0.000 1.208 515 W CA 0.255 57.734 57.345 0.224 0.000 1.274 515 W CB -0.482 29.108 29.460 0.217 0.000 1.138 515 W HN 0.023 nan 8.180 nan 0.000 0.515 516 W N 3.188 124.318 121.300 -0.284 0.000 2.322 516 W HA 0.022 4.682 4.660 0.001 0.000 0.328 516 W C 0.343 176.660 176.519 -0.337 0.000 1.395 516 W CA 0.319 57.326 57.345 -0.563 0.000 1.267 516 W CB 0.616 29.906 29.460 -0.283 0.000 1.259 516 W HN 0.150 nan 8.180 nan 0.000 0.560 517 E N 3.132 122.873 120.200 -0.765 0.000 2.562 517 E HA 0.122 4.473 4.350 0.001 0.000 0.214 517 E C 1.117 177.361 176.600 -0.593 0.000 0.979 517 E CA -0.230 55.869 56.400 -0.502 0.000 1.002 517 E CB 0.821 30.290 29.700 -0.386 0.000 1.048 517 E HN 0.483 nan 8.360 nan 0.000 0.488 518 G N 1.431 109.558 108.800 -1.120 0.000 2.563 518 G HA2 0.203 4.164 3.960 0.001 0.000 0.283 518 G HA3 0.203 4.164 3.960 0.001 0.000 0.283 518 G C 0.334 175.113 174.900 -0.202 0.000 1.309 518 G CA -0.311 44.361 45.100 -0.712 0.000 1.022 518 G HN 0.078 nan 8.290 nan 0.000 0.501 519 T N -2.427 112.117 114.554 -0.017 0.000 2.860 519 T HA 0.516 4.867 4.350 0.001 0.000 0.299 519 T C 1.161 176.043 174.700 0.303 0.000 1.045 519 T CA 0.683 62.847 62.100 0.107 0.000 1.071 519 T CB 0.735 69.637 68.868 0.056 0.000 0.985 519 T HN 2.335 nan 8.240 nan 0.000 0.537 520 G N 0.823 109.747 108.800 0.207 0.000 2.569 520 G HA2 -0.078 3.882 3.960 0.001 0.000 0.259 520 G HA3 -0.078 3.882 3.960 0.001 0.000 0.259 520 G C -0.018 174.969 174.900 0.144 0.000 1.263 520 G CA -0.006 45.190 45.100 0.160 0.000 0.928 520 G HN 1.564 nan 8.290 nan 0.000 0.572 521 S N 1.113 116.738 115.700 -0.125 0.000 2.566 521 S HA 0.822 5.293 4.470 0.001 0.000 0.298 521 S C -2.385 171.580 174.600 -1.058 0.000 1.083 521 S CA -0.332 57.593 58.200 -0.458 0.000 0.978 521 S CB 2.049 65.103 63.200 -0.243 0.000 1.073 521 S HN 0.756 nan 8.310 nan 0.000 0.491 522 P HA 0.258 nan 4.420 nan 0.000 0.274 522 P C -1.083 175.901 177.300 -0.527 0.000 1.246 522 P CA -0.619 61.672 63.100 -1.350 0.000 0.795 522 P CB 0.242 31.508 31.700 -0.723 0.000 1.006 523 N N 0.957 119.462 118.700 -0.326 0.000 2.452 523 N HA 0.049 4.790 4.740 0.001 0.000 0.266 523 N C -0.567 174.993 175.510 0.083 0.000 1.209 523 N CA 0.487 53.478 53.050 -0.098 0.000 0.929 523 N CB -0.521 37.941 38.487 -0.041 0.000 1.063 523 N HN 0.489 nan 8.380 nan 0.000 0.472 524 Y N 0.901 121.141 120.300 -0.100 0.000 2.882 524 Y HA 0.065 4.616 4.550 0.001 0.000 0.251 524 Y C 1.093 176.964 175.900 -0.047 0.000 0.961 524 Y CA -0.485 57.581 58.100 -0.057 0.000 1.175 524 Y CB -0.231 38.188 38.460 -0.067 0.000 1.155 524 Y HN 0.496 nan 8.280 nan 0.000 0.568 525 S N -0.139 115.491 115.700 -0.117 0.000 2.383 525 S HA -0.172 4.298 4.470 0.001 0.000 0.229 525 S C 2.090 176.623 174.600 -0.112 0.000 1.030 525 S CA 1.963 60.116 58.200 -0.077 0.000 1.002 525 S CB -0.187 63.027 63.200 0.024 0.000 0.829 525 S HN 0.578 nan 8.310 nan 0.000 0.467 526 V N 1.747 121.494 119.914 -0.279 0.000 2.453 526 V HA -0.143 3.977 4.120 0.001 0.000 0.252 526 V C 2.444 178.373 176.094 -0.275 0.000 1.068 526 V CA 2.141 64.288 62.300 -0.254 0.000 1.070 526 V CB -1.074 30.543 31.823 -0.343 0.000 0.664 526 V HN 0.596 nan 8.190 nan 0.000 0.461 527 A N -1.141 121.438 122.820 -0.401 0.000 2.015 527 A HA -0.151 4.169 4.320 0.001 0.000 0.219 527 A C 2.267 179.739 177.584 -0.187 0.000 1.163 527 A CA 2.108 54.022 52.037 -0.205 0.000 0.646 527 A CB -0.871 18.113 19.000 -0.027 0.000 0.806 527 A HN 0.562 nan 8.150 nan 0.000 0.448 528 T N -1.358 113.026 114.554 -0.283 0.000 2.833 528 T HA -0.111 4.240 4.350 0.001 0.000 0.269 528 T C 1.262 175.617 174.700 -0.575 0.000 1.054 528 T CA 1.794 63.594 62.100 -0.499 0.000 1.135 528 T CB -0.331 68.063 68.868 -0.790 0.000 0.869 528 T HN 0.680 nan 8.240 nan 0.000 0.466 529 Y N 0.347 120.589 120.300 -0.096 0.000 2.483 529 Y HA 0.293 4.843 4.550 0.001 0.000 0.258 529 Y C 1.343 177.193 175.900 -0.084 0.000 1.083 529 Y CA -0.505 57.538 58.100 -0.095 0.000 1.283 529 Y CB -0.323 38.057 38.460 -0.134 0.000 1.178 529 Y HN -0.064 nan 8.280 nan 0.000 0.515 530 T N 2.630 117.199 114.554 0.025 0.000 2.829 530 T HA 0.040 4.390 4.350 0.001 0.000 0.293 530 T C -0.069 174.809 174.700 0.297 0.000 0.970 530 T CA 0.051 62.197 62.100 0.076 0.000 1.168 530 T CB 0.314 69.186 68.868 0.008 0.000 0.911 530 T HN 0.207 nan 8.240 nan 0.000 0.535 531 E N 2.770 123.227 120.200 0.428 0.000 2.176 531 E HA 0.204 4.554 4.350 0.001 0.000 0.267 531 E C -0.376 176.184 176.600 -0.067 0.000 0.893 531 E CA -0.657 55.793 56.400 0.084 0.000 0.761 531 E CB 1.087 30.735 29.700 -0.086 0.000 1.133 531 E HN 0.630 nan 8.360 nan 0.000 0.409 532 E N 2.605 122.530 120.200 -0.458 0.000 2.376 532 E HA 0.146 4.496 4.350 0.001 0.000 0.266 532 E C 0.564 177.000 176.600 -0.273 0.000 1.009 532 E CA 1.090 57.171 56.400 -0.533 0.000 0.902 532 E CB 0.367 29.415 29.700 -1.088 0.000 0.972 532 E HN 0.852 nan 8.360 nan 0.000 0.439 533 G N 3.986 112.705 108.800 -0.135 0.000 2.179 533 G HA2 -0.345 3.616 3.960 0.001 0.000 0.260 533 G HA3 -0.345 3.616 3.960 0.001 0.000 0.260 533 G C 0.737 175.560 174.900 -0.129 0.000 0.977 533 G CA 0.822 45.864 45.100 -0.097 0.000 0.641 533 G HN 0.628 nan 8.290 nan 0.000 0.533 534 K N -1.013 119.261 120.400 -0.210 0.000 2.378 534 K HA 0.257 4.578 4.320 0.001 0.000 0.222 534 K C 1.661 178.112 176.600 -0.248 0.000 1.178 534 K CA 0.354 56.365 56.287 -0.459 0.000 0.827 534 K CB 0.181 32.121 32.500 -0.934 0.000 1.412 534 K HN 0.363 nan 8.250 nan 0.000 0.443 535 H N 0.916 120.020 119.070 0.057 0.000 2.553 535 H HA 0.053 4.609 4.556 0.001 0.000 0.269 535 H C 0.483 175.994 175.328 0.305 0.000 1.011 535 H CA 0.438 56.645 56.048 0.264 0.000 1.150 535 H CB 0.404 30.336 29.762 0.283 0.000 1.339 535 H HN 0.316 nan 8.280 nan 0.000 0.604 536 E N 0.238 120.620 120.200 0.303 0.000 2.482 536 E HA 0.098 4.449 4.350 0.001 0.000 0.196 536 E C -0.254 176.442 176.600 0.159 0.000 1.047 536 E CA 0.357 56.876 56.400 0.198 0.000 0.869 536 E CB 0.519 30.324 29.700 0.174 0.000 0.836 536 E HN 0.394 nan 8.360 nan 0.000 0.520 537 L N -0.144 121.237 121.223 0.264 0.000 2.409 537 L HA 0.394 4.735 4.340 0.001 0.000 0.262 537 L C -0.561 176.511 176.870 0.336 0.000 0.992 537 L CA -1.173 53.790 54.840 0.206 0.000 0.817 537 L CB 1.369 43.531 42.059 0.172 0.000 1.350 537 L HN -0.131 nan 8.230 nan 0.000 0.411 538 F N 2.501 122.277 119.950 -0.292 0.000 2.406 538 F HA 0.333 4.860 4.527 0.001 0.000 0.327 538 F C -1.735 173.575 175.800 -0.817 0.000 1.153 538 F CA -2.212 55.455 58.000 -0.555 0.000 1.218 538 F CB 0.107 38.628 39.000 -0.798 0.000 1.215 538 F HN 0.168 nan 8.300 nan 0.000 0.570 539 P HA 0.075 nan 4.420 nan 0.000 0.274 539 P C -0.355 176.772 177.300 -0.288 0.000 1.231 539 P CA -0.224 62.248 63.100 -1.048 0.000 0.790 539 P CB 0.683 31.677 31.700 -1.176 0.000 0.951 540 I N 3.002 123.424 120.570 -0.246 0.000 2.618 540 I HA 0.066 4.237 4.170 0.001 0.000 0.284 540 I C -1.917 173.949 176.117 -0.419 0.000 1.146 540 I CA -2.261 58.799 61.300 -0.400 0.000 1.425 540 I CB -0.847 36.950 38.000 -0.339 0.000 1.383 540 I HN 0.172 nan 8.210 nan 0.000 0.562 541 P HA 0.004 nan 4.420 nan 0.000 0.265 541 P C 0.563 177.704 177.300 -0.265 0.000 1.193 541 P CA 0.018 62.891 63.100 -0.378 0.000 0.765 541 P CB 0.552 31.977 31.700 -0.459 0.000 0.823 542 Q N 4.102 123.809 119.800 -0.156 0.000 2.135 542 Q HA -0.232 4.108 4.340 0.001 0.000 0.204 542 Q C 2.107 178.049 176.000 -0.096 0.000 0.981 542 Q CA 1.810 57.554 55.803 -0.098 0.000 0.856 542 Q CB -0.445 28.258 28.738 -0.058 0.000 0.902 542 Q HN 0.303 nan 8.270 nan 0.000 0.425 543 R N 0.388 120.826 120.500 -0.103 0.000 2.083 543 R HA -0.098 4.242 4.340 0.001 0.000 0.237 543 R C 0.126 176.366 176.300 -0.100 0.000 1.137 543 R CA 1.342 57.392 56.100 -0.084 0.000 0.951 543 R CB -0.221 30.039 30.300 -0.066 0.000 0.851 543 R HN 0.364 nan 8.270 nan 0.000 0.434 547 L N 0.528 121.666 121.223 -0.142 0.000 2.446 547 L HA 0.215 4.555 4.340 0.001 0.000 0.219 547 L C 0.186 176.909 176.870 -0.245 0.000 1.116 547 L CA 0.797 55.540 54.840 -0.161 0.000 0.844 547 L CB 0.429 42.411 42.059 -0.127 0.000 0.970 547 L HN 0.013 nan 8.230 nan 0.000 0.457 548 C N 0.096 119.172 119.300 -0.375 0.000 2.409 548 C HA 0.243 4.704 4.460 0.001 0.000 0.297 548 C C 1.820 176.577 174.990 -0.388 0.000 1.083 548 C CA -1.045 57.626 59.018 -0.578 0.000 1.515 548 C CB 0.096 26.975 27.740 -1.435 0.000 1.869 548 C HN 0.365 nan 8.230 nan 0.000 0.413 549 I N 1.884 122.327 120.570 -0.212 0.000 2.530 549 I HA -0.232 3.938 4.170 0.001 0.000 0.257 549 I C 2.082 178.184 176.117 -0.026 0.000 1.179 549 I CA 1.661 62.902 61.300 -0.099 0.000 1.440 549 I CB 0.163 38.116 38.000 -0.078 0.000 1.087 549 I HN 0.750 nan 8.210 nan 0.000 0.440 550 Q N -0.224 119.575 119.800 -0.002 0.000 2.425 550 Q HA 0.034 4.374 4.340 0.001 0.000 0.204 550 Q C -0.023 176.149 176.000 0.287 0.000 0.933 550 Q CA -0.059 55.817 55.803 0.121 0.000 0.939 550 Q CB 0.223 29.042 28.738 0.135 0.000 1.044 550 Q HN 0.249 nan 8.270 nan 0.000 0.513 551 F N 1.668 121.635 119.950 0.028 0.000 2.450 551 F HA 0.151 4.678 4.527 0.001 0.000 0.339 551 F C 0.777 176.587 175.800 0.017 0.000 1.146 551 F CA -0.888 57.129 58.000 0.028 0.000 1.267 551 F CB 0.366 39.371 39.000 0.009 0.000 1.178 551 F HN -0.081 nan 8.300 nan 0.000 0.585 552 N N 1.192 119.994 118.700 0.170 0.000 2.321 552 N HA 0.180 4.920 4.740 0.001 0.000 0.299 552 N C -0.686 174.857 175.510 0.055 0.000 1.048 552 N CA -0.682 52.424 53.050 0.093 0.000 0.836 552 N CB 1.662 40.187 38.487 0.063 0.000 1.269 552 N HN 0.419 nan 8.380 nan 0.000 0.486 553 Q N 1.213 121.050 119.800 0.061 0.000 2.354 553 Q HA 0.221 4.562 4.340 0.001 0.000 0.244 553 Q C -0.359 175.685 176.000 0.073 0.000 0.969 553 Q CA -0.017 55.817 55.803 0.051 0.000 0.885 553 Q CB 0.488 29.268 28.738 0.070 0.000 1.241 553 Q HN 0.367 nan 8.270 nan 0.000 0.461 554 N N 2.768 121.523 118.700 0.092 0.000 2.415 554 N HA 0.195 4.935 4.740 0.001 0.000 0.248 554 N C -2.409 173.232 175.510 0.219 0.000 1.271 554 N CA -1.077 52.067 53.050 0.157 0.000 0.913 554 N CB -0.266 38.321 38.487 0.166 0.000 1.129 554 N HN 0.484 nan 8.380 nan 0.000 0.444 555 P HA 0.005 nan 4.420 nan 0.000 0.262 555 P C -0.047 177.258 177.300 0.008 0.000 1.182 555 P CA 0.589 63.736 63.100 0.079 0.000 0.761 555 P CB 0.273 32.005 31.700 0.054 0.000 0.795 556 K N -1.028 119.327 120.400 -0.075 0.000 3.529 556 K HA -0.212 4.108 4.320 0.001 0.000 0.313 556 K C -0.042 176.340 176.600 -0.364 0.000 1.316 556 K CA 0.989 57.135 56.287 -0.236 0.000 0.988 556 K CB -1.603 30.691 32.500 -0.344 0.000 1.252 556 K HN 0.433 nan 8.250 nan 0.000 0.438 557 W N 0.000 121.217 121.300 -0.138 0.000 2.388 557 W HA 0.000 4.661 4.660 0.001 0.000 0.303 557 W CA 0.000 57.254 57.345 -0.152 0.000 1.226 557 W CB 0.000 29.375 29.460 -0.141 0.000 1.126 557 W HN 0.000 nan 8.180 nan 0.000 0.535