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 1hl8_1_A DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP XXXXXXXXXD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YXXXXXXDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QXERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.098 176.300 -0.336 0.000 0.893 7 R CA 0.000 55.943 56.100 -0.262 0.000 0.921 7 R CB 0.000 30.242 30.300 -0.097 0.000 0.687 8 Y N 1.581 121.892 120.300 0.019 0.000 2.308 8 Y HA 0.392 4.943 4.550 0.000 0.000 0.329 8 Y C 0.657 176.562 175.900 0.010 0.000 1.111 8 Y CA -0.275 57.836 58.100 0.019 0.000 1.179 8 Y CB 1.100 39.602 38.460 0.070 0.000 1.201 8 Y HN 0.139 nan 8.280 nan 0.000 0.483 9 K N 4.116 124.588 120.400 0.121 0.000 2.123 9 K HA 0.361 4.682 4.320 0.001 0.000 0.248 9 K C -2.527 174.058 176.600 -0.024 0.000 0.969 9 K CA -2.068 54.243 56.287 0.039 0.000 0.882 9 K CB 1.035 33.534 32.500 -0.002 0.000 1.080 9 K HN 0.308 nan 8.250 nan 0.000 0.441 10 P HA 0.039 nan 4.420 nan 0.000 0.214 10 P C -1.613 175.402 177.300 -0.475 0.000 1.826 10 P CA 0.068 62.991 63.100 -0.295 0.000 0.977 10 P CB -0.193 31.359 31.700 -0.246 0.000 1.930 11 D N -0.616 119.546 120.400 -0.398 0.000 2.661 11 D HA 0.075 4.715 4.640 0.001 0.000 0.228 11 D C 0.146 176.256 176.300 -0.317 0.000 1.210 11 D CA -0.766 52.946 54.000 -0.481 0.000 0.826 11 D CB 0.430 41.069 40.800 -0.268 0.000 1.542 11 D HN 0.029 nan 8.370 nan 0.000 0.447 12 W N 0.911 122.156 121.300 -0.092 0.000 2.358 12 W HA -0.064 4.596 4.660 0.000 0.000 0.303 12 W C 2.390 178.873 176.519 -0.060 0.000 1.208 12 W CA 0.748 58.051 57.345 -0.069 0.000 1.274 12 W CB -0.053 29.386 29.460 -0.035 0.000 1.138 12 W HN 0.594 nan 8.180 nan 0.000 0.515 13 E N 0.468 120.762 120.200 0.156 0.000 2.085 13 E HA -0.219 4.131 4.350 0.001 0.000 0.194 13 E C 2.064 178.690 176.600 0.044 0.000 0.994 13 E CA 1.910 58.358 56.400 0.081 0.000 0.801 13 E CB -0.191 29.539 29.700 0.050 0.000 0.743 13 E HN 0.111 nan 8.360 nan 0.000 0.453 14 S N 0.317 116.027 115.700 0.018 0.000 2.387 14 S HA -0.040 4.430 4.470 0.001 0.000 0.226 14 S C 1.873 176.504 174.600 0.052 0.000 1.026 14 S CA 0.542 58.757 58.200 0.025 0.000 0.972 14 S CB -0.062 63.142 63.200 0.006 0.000 0.814 14 S HN 0.265 nan 8.310 nan 0.000 0.477 15 L N 1.269 122.483 121.223 -0.015 0.000 2.291 15 L HA 0.004 4.344 4.340 0.001 0.000 0.214 15 L C 2.244 178.968 176.870 -0.244 0.000 1.120 15 L CA 0.514 55.251 54.840 -0.172 0.000 0.799 15 L CB -0.311 41.561 42.059 -0.312 0.000 0.925 15 L HN 0.141 nan 8.230 nan 0.000 0.446 16 R N 0.426 120.909 120.500 -0.028 0.000 2.193 16 R HA -0.136 4.204 4.340 0.001 0.000 0.229 16 R C 1.719 178.043 176.300 0.040 0.000 1.110 16 R CA 0.736 56.868 56.100 0.053 0.000 0.988 16 R CB -0.627 29.693 30.300 0.034 0.000 0.871 16 R HN 0.511 nan 8.270 nan 0.000 0.458 17 E N 0.209 120.449 120.200 0.067 0.000 2.160 17 E HA -0.156 4.195 4.350 0.001 0.000 0.195 17 E C 0.603 177.287 176.600 0.139 0.000 0.991 17 E CA 0.597 57.063 56.400 0.112 0.000 0.810 17 E CB -0.171 29.627 29.700 0.162 0.000 0.742 17 E HN 0.360 nan 8.360 nan 0.000 0.466 18 H N 2.105 121.137 119.070 -0.063 0.000 3.157 18 H HA 0.033 4.589 4.556 0.001 0.000 0.260 18 H C -0.337 174.853 175.328 -0.230 0.000 1.232 18 H CA 0.136 55.959 56.048 -0.376 0.000 1.488 18 H CB -0.115 28.871 29.762 -1.295 0.000 1.548 18 H HN 0.025 nan 8.280 nan 0.000 0.487 19 T N 0.851 115.183 114.554 -0.369 0.000 2.816 19 T HA 0.104 4.454 4.350 0.001 0.000 0.282 19 T C 0.694 175.143 174.700 -0.418 0.000 0.993 19 T CA -0.900 61.034 62.100 -0.277 0.000 0.994 19 T CB 1.573 70.345 68.868 -0.160 0.000 1.025 19 T HN 0.314 nan 8.240 nan 0.000 0.529 20 V N 3.074 122.873 119.914 -0.192 0.000 2.540 20 V HA 0.205 4.326 4.120 0.001 0.000 0.297 20 V C -2.054 173.916 176.094 -0.207 0.000 1.024 20 V CA -1.574 60.639 62.300 -0.145 0.000 1.105 20 V CB -0.053 31.782 31.823 0.021 0.000 0.938 20 V HN 0.804 nan 8.190 nan 0.000 0.482 21 P HA 0.115 nan 4.420 nan 0.000 0.266 21 P C 0.458 177.643 177.300 -0.193 0.000 1.195 21 P CA 0.033 63.008 63.100 -0.209 0.000 0.768 21 P CB 0.385 31.979 31.700 -0.177 0.000 0.838 22 K N 2.542 122.915 120.400 -0.045 0.000 2.113 22 K HA -0.166 4.154 4.320 0.001 0.000 0.208 22 K C 1.925 178.551 176.600 0.044 0.000 1.047 22 K CA 1.704 57.998 56.287 0.011 0.000 0.928 22 K CB -0.342 32.197 32.500 0.065 0.000 0.716 22 K HN 0.711 nan 8.250 nan 0.000 0.446 23 W N 0.434 121.777 121.300 0.072 0.000 2.363 23 W HA -0.198 4.463 4.660 0.001 0.000 0.296 23 W C 1.567 178.131 176.519 0.075 0.000 1.212 23 W CA 0.478 57.868 57.345 0.075 0.000 1.260 23 W CB -0.965 28.546 29.460 0.084 0.000 1.131 23 W HN -0.023 nan 8.180 nan 0.000 0.530 24 F N 2.699 121.936 119.950 -1.189 0.000 2.163 24 F HA -0.119 4.408 4.527 0.001 0.000 0.297 24 F C 2.325 177.807 175.800 -0.530 0.000 1.094 24 F CA 2.372 59.591 58.000 -1.302 0.000 1.290 24 F CB -0.708 37.313 39.000 -1.631 0.000 1.017 24 F HN -0.170 nan 8.300 nan 0.000 0.483 25 D N 0.269 120.538 120.400 -0.218 0.000 2.123 25 D HA -0.213 4.427 4.640 0.001 0.000 0.196 25 D C 1.884 178.121 176.300 -0.104 0.000 0.992 25 D CA 1.636 55.566 54.000 -0.117 0.000 0.833 25 D CB -0.109 40.676 40.800 -0.026 0.000 0.954 25 D HN 0.262 nan 8.370 nan 0.000 0.455 26 K N -0.529 119.850 120.400 -0.035 0.000 2.400 26 K HA 0.200 4.520 4.320 0.001 0.000 0.194 26 K C 1.904 178.582 176.600 0.129 0.000 1.033 26 K CA 0.482 56.809 56.287 0.065 0.000 1.021 26 K CB 0.313 32.883 32.500 0.116 0.000 0.808 26 K HN 0.113 nan 8.250 nan 0.000 0.505 27 A N 1.623 124.485 122.820 0.069 0.000 1.872 27 A HA -0.171 4.150 4.320 0.001 0.000 0.214 27 A C 1.078 178.830 177.584 0.280 0.000 1.187 27 A CA 1.815 53.984 52.037 0.222 0.000 0.614 27 A CB -0.077 19.084 19.000 0.267 0.000 0.826 27 A HN 0.192 nan 8.150 nan 0.000 0.442 28 K N -4.474 115.969 120.400 0.072 0.000 3.467 28 K HA -0.192 4.128 4.320 0.001 0.000 0.375 28 K C -0.208 176.480 176.600 0.147 0.000 0.589 28 K CA 1.894 58.211 56.287 0.050 0.000 1.651 28 K CB -1.419 31.114 32.500 0.056 0.000 1.135 28 K HN 0.691 nan 8.250 nan 0.000 0.459 29 F N -0.360 119.610 119.950 0.034 0.000 2.573 29 F HA 0.627 5.154 4.527 0.001 0.000 0.316 29 F C -0.105 175.512 175.800 -0.304 0.000 1.148 29 F CA -0.323 57.625 58.000 -0.086 0.000 0.940 29 F CB 1.794 40.790 39.000 -0.007 0.000 1.214 29 F HN 0.057 nan 8.300 nan 0.000 0.448 30 G N 5.351 113.512 108.800 -1.065 0.000 2.642 30 G HA2 0.616 4.576 3.960 0.001 0.000 0.293 30 G HA3 0.616 4.576 3.960 0.001 0.000 0.293 30 G C -2.030 172.186 174.900 -1.139 0.000 1.341 30 G CA -0.840 43.302 45.100 -1.597 0.000 0.916 30 G HN 0.421 nan 8.290 nan 0.000 0.474 31 I N 1.217 121.237 120.570 -0.917 0.000 2.312 31 I HA 0.357 4.528 4.170 0.001 0.000 0.290 31 I C -0.603 175.270 176.117 -0.407 0.000 1.008 31 I CA -1.112 59.783 61.300 -0.675 0.000 1.226 31 I CB 0.954 38.378 38.000 -0.961 0.000 1.371 31 I HN 0.178 nan 8.210 nan 0.000 0.468 32 F N 6.893 126.644 119.950 -0.331 0.000 2.418 32 F HA 0.427 4.954 4.527 0.001 0.000 0.341 32 F C 0.485 176.172 175.800 -0.188 0.000 1.120 32 F CA -0.815 57.062 58.000 -0.204 0.000 1.232 32 F CB 0.783 39.739 39.000 -0.074 0.000 1.175 32 F HN 0.210 nan 8.300 nan 0.000 0.569 33 I N 4.391 125.061 120.570 0.166 0.000 2.476 33 I HA 0.140 4.311 4.170 0.001 0.000 0.281 33 I C -1.225 174.915 176.117 0.039 0.000 1.040 33 I CA -0.574 60.758 61.300 0.054 0.000 1.094 33 I CB 1.241 39.291 38.000 0.083 0.000 1.219 33 I HN 0.401 nan 8.210 nan 0.000 0.450 34 H N 5.092 124.138 119.070 -0.041 0.000 2.640 34 H HA 0.383 4.939 4.556 0.001 0.000 0.297 34 H C -1.409 174.093 175.328 0.290 0.000 1.073 34 H CA 0.001 56.051 56.048 0.004 0.000 1.305 34 H CB 0.777 30.465 29.762 -0.125 0.000 1.404 34 H HN 0.515 nan 8.280 nan 0.000 0.459 35 W N 3.597 124.955 121.300 0.097 0.000 3.405 35 W HA 0.556 5.216 4.660 0.001 0.000 0.329 35 W C -0.788 175.507 176.519 -0.374 0.000 1.142 35 W CA -0.639 56.673 57.345 -0.055 0.000 1.235 35 W CB 1.400 30.938 29.460 0.130 0.000 1.341 35 W HN 0.728 nan 8.180 nan 0.000 0.481 36 G N 3.579 111.623 108.800 -1.259 0.000 2.490 36 G HA2 0.231 4.191 3.960 0.001 0.000 0.308 36 G HA3 0.231 4.191 3.960 0.001 0.000 0.308 36 G C 0.302 173.986 174.900 -2.027 0.000 1.286 36 G CA -0.161 43.967 45.100 -1.620 0.000 0.825 36 G HN 0.995 nan 8.290 nan 0.000 0.479 37 I N -1.091 118.530 120.570 -1.581 0.000 2.676 37 I HA -0.022 4.149 4.170 0.001 0.000 0.259 37 I C 2.278 177.897 176.117 -0.829 0.000 1.194 37 I CA 1.573 62.150 61.300 -1.204 0.000 1.473 37 I CB -0.521 36.905 38.000 -0.956 0.000 1.096 37 I HN 0.569 nan 8.210 nan 0.000 0.443 38 Y N 1.422 121.491 120.300 -0.385 0.000 2.315 38 Y HA -0.057 4.493 4.550 0.001 0.000 0.288 38 Y C 2.425 178.151 175.900 -0.289 0.000 1.154 38 Y CA 0.956 58.919 58.100 -0.227 0.000 1.229 38 Y CB -1.572 36.919 38.460 0.052 0.000 0.980 38 Y HN 0.088 nan 8.280 nan 0.000 0.540 39 S N 0.304 115.764 115.700 -0.399 0.000 2.447 39 S HA -0.129 4.342 4.470 0.001 0.000 0.233 39 S C 2.070 176.635 174.600 -0.058 0.000 1.006 39 S CA 1.055 59.209 58.200 -0.077 0.000 0.957 39 S CB -0.609 62.562 63.200 -0.047 0.000 0.773 39 S HN 0.380 nan 8.310 nan 0.000 0.507 40 V N 3.175 122.906 119.914 -0.306 0.000 2.223 40 V HA -0.124 3.996 4.120 0.001 0.000 0.244 40 V C -0.190 175.793 176.094 -0.186 0.000 1.045 40 V CA 1.790 63.956 62.300 -0.223 0.000 1.000 40 V CB -1.756 29.881 31.823 -0.310 0.000 0.635 40 V HN 0.369 nan 8.190 nan 0.000 0.445 41 P HA -0.055 nan 4.420 nan 0.000 0.217 41 P C 1.134 178.512 177.300 0.130 0.000 1.150 41 P CA 1.701 64.698 63.100 -0.171 0.000 0.832 41 P CB -0.355 30.910 31.700 -0.725 0.000 0.787 42 G N 0.159 108.976 108.800 0.027 0.000 2.334 42 G HA2 -0.191 3.769 3.960 0.001 0.000 0.279 42 G HA3 -0.191 3.769 3.960 0.001 0.000 0.279 42 G C -0.805 174.154 174.900 0.099 0.000 0.918 42 G CA 0.207 45.372 45.100 0.108 0.000 1.314 42 G HN 0.444 nan 8.290 nan 0.000 0.463 43 W N 0.555 121.862 121.300 0.013 0.000 3.439 43 W HA 0.648 5.309 4.660 0.001 0.000 0.323 43 W C -0.363 176.218 176.519 0.102 0.000 1.174 43 W CA 0.095 57.419 57.345 -0.035 0.000 1.224 43 W CB 1.312 30.677 29.460 -0.158 0.000 1.348 43 W HN 0.923 nan 8.180 nan 0.000 0.498 44 A N 2.108 124.562 122.820 -0.609 0.000 2.588 44 A HA 0.808 5.128 4.320 0.001 0.000 0.290 44 A C -0.434 176.460 177.584 -1.150 0.000 1.136 44 A CA -0.653 51.042 52.037 -0.570 0.000 0.681 44 A CB 1.000 19.865 19.000 -0.225 0.000 1.282 44 A HN 0.503 nan 8.150 nan 0.000 0.421 45 T N 0.964 115.113 114.554 -0.675 0.000 2.849 45 T HA 0.577 4.928 4.350 0.001 0.000 0.284 45 T C -2.249 172.188 174.700 -0.438 0.000 1.004 45 T CA -1.036 60.745 62.100 -0.532 0.000 1.021 45 T CB 0.037 68.793 68.868 -0.187 0.000 1.013 45 T HN 0.457 nan 8.240 nan 0.000 0.527 57 A N 0.529 123.053 122.820 -0.492 0.000 2.988 57 A HA 0.381 4.701 4.320 0.001 0.000 0.288 57 A C 0.772 178.275 177.584 -0.135 0.000 1.385 57 A CA -0.402 51.533 52.037 -0.170 0.000 1.001 57 A CB -1.421 17.444 19.000 -0.225 0.000 1.071 57 A HN 0.419 nan 8.150 nan 0.000 0.608 58 W N -1.202 120.053 121.300 -0.074 0.000 2.402 58 W HA -0.101 4.559 4.660 0.000 0.000 0.286 58 W C 1.147 177.445 176.519 -0.369 0.000 1.221 58 W CA 0.380 57.544 57.345 -0.303 0.000 1.257 58 W CB -0.334 28.795 29.460 -0.552 0.000 1.120 58 W HN 0.553 nan 8.180 nan 0.000 0.551 59 F N -1.861 118.169 119.950 0.133 0.000 2.615 59 F HA 0.058 4.586 4.527 0.000 0.000 0.297 59 F C 1.614 177.330 175.800 -0.141 0.000 1.124 59 F CA 0.595 58.550 58.000 -0.075 0.000 1.451 59 F CB -1.064 37.805 39.000 -0.218 0.000 1.103 59 F HN -0.186 nan 8.300 nan 0.000 0.569 60 F N -0.282 119.699 119.950 0.052 0.000 2.293 60 F HA 0.007 4.535 4.527 0.001 0.000 0.297 60 F C 1.242 177.064 175.800 0.037 0.000 1.089 60 F CA 0.897 58.903 58.000 0.010 0.000 1.377 60 F CB -0.201 38.776 39.000 -0.039 0.000 1.051 60 F HN -0.113 nan 8.300 nan 0.000 0.511 61 Q N 0.696 120.621 119.800 0.209 0.000 2.831 61 Q HA 0.142 4.483 4.340 0.001 0.000 0.366 61 Q C -0.928 175.122 176.000 0.084 0.000 0.899 61 Q CA -0.296 55.587 55.803 0.134 0.000 0.987 61 Q CB 0.357 29.158 28.738 0.104 0.000 1.382 61 Q HN 0.055 nan 8.270 nan 0.000 0.403 62 N N 3.157 121.901 118.700 0.073 0.000 2.420 62 N HA 0.098 4.839 4.740 0.001 0.000 0.262 62 N C -1.753 173.722 175.510 -0.057 0.000 1.144 62 N CA -1.389 51.677 53.050 0.025 0.000 0.952 62 N CB 1.174 39.724 38.487 0.105 0.000 1.081 62 N HN 0.168 nan 8.380 nan 0.000 0.480 63 P HA 0.068 nan 4.420 nan 0.000 0.257 63 P C -0.816 176.190 177.300 -0.490 0.000 1.281 63 P CA 0.251 63.108 63.100 -0.404 0.000 0.826 63 P CB -0.087 31.299 31.700 -0.523 0.000 1.237 64 Y N 0.161 120.431 120.300 -0.049 0.000 2.353 64 Y HA 0.486 5.037 4.550 0.001 0.000 0.340 64 Y C 1.754 177.734 175.900 0.134 0.000 0.972 64 Y CA -0.646 57.473 58.100 0.032 0.000 1.157 64 Y CB 1.012 39.492 38.460 0.034 0.000 1.157 64 Y HN -0.102 nan 8.280 nan 0.000 0.495 65 A N 2.321 125.266 122.820 0.207 0.000 2.014 65 A HA -0.128 4.192 4.320 0.001 0.000 0.218 65 A C 1.814 179.518 177.584 0.200 0.000 1.163 65 A CA 1.248 53.419 52.037 0.224 0.000 0.652 65 A CB -0.248 18.833 19.000 0.136 0.000 0.808 65 A HN 0.839 nan 8.150 nan 0.000 0.449 66 E N -0.782 119.389 120.200 -0.048 0.000 2.130 66 E HA -0.243 4.107 4.350 0.001 0.000 0.196 66 E C 0.953 177.516 176.600 -0.062 0.000 0.998 66 E CA 1.439 57.472 56.400 -0.613 0.000 0.806 66 E CB -0.444 28.755 29.700 -0.835 0.000 0.738 66 E HN 0.855 nan 8.360 nan 0.000 0.459 67 W N 0.140 121.548 121.300 0.181 0.000 3.434 67 W HA 0.142 4.803 4.660 0.000 0.000 0.297 67 W C 1.227 177.934 176.519 0.312 0.000 1.295 67 W CA -0.442 57.148 57.345 0.408 0.000 1.731 67 W CB -0.616 29.076 29.460 0.386 0.000 1.070 67 W HN 0.132 nan 8.180 nan 0.000 0.726 68 Y N 1.379 121.885 120.300 0.343 0.000 2.128 68 Y HA -0.336 4.215 4.550 0.001 0.000 0.284 68 Y C 2.452 178.415 175.900 0.106 0.000 1.154 68 Y CA 2.568 60.850 58.100 0.303 0.000 1.149 68 Y CB -0.336 38.369 38.460 0.408 0.000 0.976 68 Y HN 0.143 nan 8.280 nan 0.000 0.505 69 E N -0.304 119.897 120.200 0.001 0.000 2.077 69 E HA -0.283 4.067 4.350 0.001 0.000 0.193 69 E C 2.037 178.381 176.600 -0.427 0.000 0.989 69 E CA 1.482 57.603 56.400 -0.465 0.000 0.800 69 E CB -0.364 28.758 29.700 -0.963 0.000 0.746 69 E HN 0.552 nan 8.360 nan 0.000 0.452 70 N N -0.150 118.199 118.700 -0.586 0.000 2.084 70 N HA -0.137 4.603 4.740 0.001 0.000 0.190 70 N C 1.776 177.126 175.510 -0.267 0.000 1.030 70 N CA 1.937 54.601 53.050 -0.643 0.000 0.849 70 N CB -0.139 37.952 38.487 -0.660 0.000 1.012 70 N HN 0.013 nan 8.380 nan 0.000 0.423 71 S N 0.056 115.710 115.700 -0.077 0.000 2.374 71 S HA -0.144 4.326 4.470 0.001 0.000 0.227 71 S C 1.720 176.269 174.600 -0.086 0.000 1.037 71 S CA 0.962 59.137 58.200 -0.043 0.000 1.024 71 S CB -0.488 62.742 63.200 0.051 0.000 0.861 71 S HN 0.365 nan 8.310 nan 0.000 0.456 72 L N 1.870 123.005 121.223 -0.147 0.000 2.131 72 L HA 0.029 4.370 4.340 0.001 0.000 0.210 72 L C 2.047 178.917 176.870 -0.000 0.000 1.092 72 L CA 1.616 56.413 54.840 -0.070 0.000 0.759 72 L CB -0.416 41.544 42.059 -0.164 0.000 0.903 72 L HN 0.109 nan 8.230 nan 0.000 0.435 73 R N -0.712 119.708 120.500 -0.134 0.000 2.235 73 R HA 0.095 4.436 4.340 0.001 0.000 0.213 73 R C 0.376 176.561 176.300 -0.193 0.000 1.059 73 R CA 0.343 56.346 56.100 -0.161 0.000 0.997 73 R CB -0.229 29.917 30.300 -0.257 0.000 0.884 73 R HN 0.314 nan 8.270 nan 0.000 0.462 74 I N 2.260 122.704 120.570 -0.210 0.000 2.294 74 I HA 0.036 4.207 4.170 0.001 0.000 0.295 74 I C 0.204 176.145 176.117 -0.292 0.000 1.098 74 I CA -0.234 60.906 61.300 -0.266 0.000 1.277 74 I CB 0.622 38.421 38.000 -0.335 0.000 1.434 74 I HN -0.082 nan 8.210 nan 0.000 0.498 75 K N 6.096 126.235 120.400 -0.435 0.000 2.527 75 K HA -0.048 4.272 4.320 0.001 0.000 0.278 75 K C 0.587 176.800 176.600 -0.645 0.000 0.981 75 K CA 0.557 56.326 56.287 -0.863 0.000 1.009 75 K CB 0.289 32.364 32.500 -0.708 0.000 0.895 75 K HN 0.553 nan 8.250 nan 0.000 0.493 76 E N -0.193 119.490 120.200 -0.862 0.000 2.971 76 E HA -0.220 4.131 4.350 0.001 0.000 0.278 76 E C -0.508 176.135 176.600 0.072 0.000 1.009 76 E CA 0.876 57.156 56.400 -0.201 0.000 0.862 76 E CB -1.753 27.837 29.700 -0.183 0.000 1.436 76 E HN 0.725 nan 8.360 nan 0.000 0.434 77 S N -0.855 114.918 115.700 0.121 0.000 2.614 77 S HA 0.349 4.819 4.470 0.001 0.000 0.265 77 S C -1.580 173.189 174.600 0.282 0.000 1.303 77 S CA -1.158 57.157 58.200 0.191 0.000 1.000 77 S CB 1.517 64.794 63.200 0.128 0.000 0.935 77 S HN -0.261 nan 8.310 nan 0.000 0.551 78 P HA -0.041 nan 4.420 nan 0.000 0.218 78 P C 1.339 178.880 177.300 0.400 0.000 1.148 78 P CA 1.274 64.586 63.100 0.353 0.000 0.822 78 P CB -0.318 31.605 31.700 0.372 0.000 0.784 79 T N -2.129 112.663 114.554 0.396 0.000 2.821 79 T HA -0.169 4.181 4.350 0.001 0.000 0.267 79 T C 1.366 176.164 174.700 0.164 0.000 1.046 79 T CA 0.995 63.260 62.100 0.275 0.000 1.139 79 T CB -0.904 68.030 68.868 0.111 0.000 0.871 79 T HN 0.210 nan 8.240 nan 0.000 0.454 80 W N 2.104 123.424 121.300 0.034 0.000 2.425 80 W HA -0.026 4.635 4.660 0.001 0.000 0.277 80 W C 2.071 178.633 176.519 0.071 0.000 1.231 80 W CA 0.577 57.946 57.345 0.040 0.000 1.248 80 W CB 0.059 29.528 29.460 0.016 0.000 1.117 80 W HN 0.137 nan 8.180 nan 0.000 0.568 81 E N -0.667 119.668 120.200 0.224 0.000 2.028 81 E HA -0.279 4.071 4.350 0.001 0.000 0.191 81 E C 1.835 178.382 176.600 -0.088 0.000 0.988 81 E CA 1.534 57.975 56.400 0.069 0.000 0.799 81 E CB -1.352 28.440 29.700 0.153 0.000 0.755 81 E HN 0.448 nan 8.360 nan 0.000 0.447 82 Y N 0.850 120.983 120.300 -0.279 0.000 2.352 82 Y HA -0.211 4.340 4.550 0.001 0.000 0.292 82 Y C 2.289 178.049 175.900 -0.233 0.000 1.136 82 Y CA 1.863 59.673 58.100 -0.483 0.000 1.227 82 Y CB -0.236 37.445 38.460 -1.299 0.000 0.991 82 Y HN 0.173 nan 8.280 nan 0.000 0.545 83 H N -1.318 117.627 119.070 -0.209 0.000 2.372 83 H HA -0.050 4.506 4.556 0.001 0.000 0.301 83 H C 2.108 177.316 175.328 -0.199 0.000 1.065 83 H CA 1.882 57.911 56.048 -0.033 0.000 1.364 83 H CB -0.178 29.659 29.762 0.124 0.000 1.406 83 H HN 0.190 nan 8.280 nan 0.000 0.521 84 V N 1.455 121.195 119.914 -0.290 0.000 2.453 84 V HA -0.197 3.923 4.120 0.001 0.000 0.247 84 V C 2.397 178.294 176.094 -0.327 0.000 1.048 84 V CA 2.068 64.141 62.300 -0.378 0.000 1.049 84 V CB -0.371 31.046 31.823 -0.676 0.000 0.672 84 V HN 0.563 nan 8.190 nan 0.000 0.457 85 K N -0.262 119.934 120.400 -0.340 0.000 2.116 85 K HA -0.108 4.213 4.320 0.001 0.000 0.203 85 K C 1.888 178.240 176.600 -0.413 0.000 1.052 85 K CA 1.867 57.970 56.287 -0.306 0.000 0.952 85 K CB -0.396 31.964 32.500 -0.235 0.000 0.729 85 K HN 0.420 nan 8.250 nan 0.000 0.446 86 T N -0.255 113.919 114.554 -0.634 0.000 2.939 86 T HA 0.018 4.368 4.350 0.001 0.000 0.254 86 T C 0.978 175.077 174.700 -1.002 0.000 1.041 86 T CA 0.915 62.472 62.100 -0.905 0.000 1.142 86 T CB -0.157 67.853 68.868 -1.429 0.000 0.874 86 T HN 0.267 nan 8.240 nan 0.000 0.452 87 Y N 0.774 120.733 120.300 -0.569 0.000 2.483 87 Y HA 0.493 5.043 4.550 0.001 0.000 0.258 87 Y C 1.400 177.014 175.900 -0.476 0.000 1.083 87 Y CA -0.131 57.581 58.100 -0.647 0.000 1.283 87 Y CB 0.408 38.326 38.460 -0.903 0.000 1.178 87 Y HN 0.351 nan 8.280 nan 0.000 0.515 88 G N 0.901 109.555 108.800 -0.243 0.000 2.675 88 G HA2 -0.209 3.751 3.960 0.001 0.000 0.686 88 G HA3 -0.209 3.751 3.960 0.001 0.000 0.686 88 G C 0.241 175.157 174.900 0.027 0.000 1.215 88 G CA -0.088 44.947 45.100 -0.108 0.000 0.777 88 G HN 0.222 nan 8.290 nan 0.000 0.638 89 E N 0.234 120.431 120.200 -0.004 0.000 2.107 89 E HA -0.133 4.218 4.350 0.001 0.000 0.191 89 E C 2.020 178.700 176.600 0.132 0.000 0.982 89 E CA 1.046 57.469 56.400 0.039 0.000 0.809 89 E CB -0.017 29.676 29.700 -0.012 0.000 0.756 89 E HN 0.388 nan 8.360 nan 0.000 0.459 90 N N -0.168 118.599 118.700 0.111 0.000 2.571 90 N HA -0.093 4.647 4.740 0.001 0.000 0.189 90 N C -0.809 174.788 175.510 0.145 0.000 1.154 90 N CA 0.148 53.261 53.050 0.104 0.000 0.907 90 N CB -0.180 38.350 38.487 0.072 0.000 0.977 90 N HN 0.048 nan 8.380 nan 0.000 0.449 91 F N 1.673 121.656 119.950 0.055 0.000 2.350 91 F HA 0.302 4.829 4.527 0.001 0.000 0.365 91 F C 0.261 176.116 175.800 0.090 0.000 1.122 91 F CA -0.891 57.127 58.000 0.030 0.000 1.139 91 F CB 0.342 39.319 39.000 -0.038 0.000 1.220 91 F HN -0.148 nan 8.300 nan 0.000 0.499 92 E N 4.660 124.572 120.200 -0.479 0.000 2.354 92 E HA -0.093 4.257 4.350 0.001 0.000 0.269 92 E C 0.453 176.774 176.600 -0.464 0.000 1.036 92 E CA -0.036 56.168 56.400 -0.327 0.000 0.876 92 E CB 0.944 30.500 29.700 -0.239 0.000 1.009 92 E HN 0.836 nan 8.360 nan 0.000 0.416 93 Y N 3.081 123.249 120.300 -0.219 0.000 2.193 93 Y HA -0.277 4.274 4.550 0.001 0.000 0.285 93 Y C 2.152 178.045 175.900 -0.011 0.000 1.166 93 Y CA 2.221 60.319 58.100 -0.003 0.000 1.181 93 Y CB 0.194 38.777 38.460 0.206 0.000 0.976 93 Y HN 0.657 nan 8.280 nan 0.000 0.520 94 E N 0.279 120.465 120.200 -0.024 0.000 2.130 94 E HA -0.242 4.108 4.350 0.001 0.000 0.196 94 E C 1.579 178.112 176.600 -0.112 0.000 0.998 94 E CA 1.410 57.808 56.400 -0.003 0.000 0.806 94 E CB 0.014 29.662 29.700 -0.087 0.000 0.738 94 E HN 0.389 nan 8.360 nan 0.000 0.459 95 K N -0.056 120.109 120.400 -0.391 0.000 2.439 95 K HA -0.069 4.252 4.320 0.001 0.000 0.197 95 K C 1.674 178.134 176.600 -0.233 0.000 1.041 95 K CA 0.247 56.308 56.287 -0.376 0.000 0.970 95 K CB -0.329 31.781 32.500 -0.650 0.000 0.773 95 K HN 0.173 nan 8.250 nan 0.000 0.479 96 F N 1.590 121.392 119.950 -0.246 0.000 2.307 96 F HA -0.128 4.399 4.527 0.001 0.000 0.301 96 F C 2.266 177.900 175.800 -0.278 0.000 1.076 96 F CA 0.658 58.516 58.000 -0.237 0.000 1.383 96 F CB -0.779 37.946 39.000 -0.459 0.000 1.055 96 F HN 0.019 nan 8.300 nan 0.000 0.526 97 A N -0.392 122.332 122.820 -0.161 0.000 2.019 97 A HA -0.172 4.149 4.320 0.001 0.000 0.219 97 A C 1.924 179.461 177.584 -0.078 0.000 1.164 97 A CA 1.941 53.808 52.037 -0.284 0.000 0.644 97 A CB -0.542 18.297 19.000 -0.268 0.000 0.805 97 A HN 0.278 nan 8.150 nan 0.000 0.449 98 D N -0.696 119.702 120.400 -0.004 0.000 2.305 98 D HA 0.020 4.660 4.640 0.001 0.000 0.206 98 D C 1.204 177.535 176.300 0.051 0.000 0.974 98 D CA 0.476 54.492 54.000 0.027 0.000 0.871 98 D CB 0.007 40.829 40.800 0.037 0.000 0.947 98 D HN 0.294 nan 8.370 nan 0.000 0.516 99 L N 0.130 121.410 121.223 0.095 0.000 2.492 99 L HA 0.059 4.400 4.340 0.001 0.000 0.223 99 L C 0.532 177.484 176.870 0.137 0.000 1.132 99 L CA 0.267 55.183 54.840 0.127 0.000 0.850 99 L CB -0.660 41.522 42.059 0.205 0.000 0.966 99 L HN -0.068 nan 8.230 nan 0.000 0.454 100 F N 0.913 120.791 119.950 -0.120 0.000 2.515 100 F HA 0.240 4.767 4.527 0.001 0.000 0.353 100 F C 1.416 177.128 175.800 -0.146 0.000 1.213 100 F CA -0.673 57.207 58.000 -0.201 0.000 1.194 100 F CB -0.118 38.635 39.000 -0.413 0.000 1.488 100 F HN 0.088 nan 8.300 nan 0.000 0.619 101 T N 1.640 116.103 114.554 -0.151 0.000 3.014 101 T HA 0.356 4.706 4.350 0.001 0.000 0.250 101 T C 1.191 175.758 174.700 -0.223 0.000 1.060 101 T CA 0.316 62.299 62.100 -0.195 0.000 1.040 101 T CB -0.275 68.566 68.868 -0.046 0.000 0.971 101 T HN 1.148 nan 8.240 nan 0.000 0.497 102 A N 1.893 124.611 122.820 -0.169 0.000 2.560 102 A HA -0.230 4.090 4.320 0.001 0.000 0.299 102 A C 1.391 179.044 177.584 0.115 0.000 1.484 102 A CA 1.018 53.078 52.037 0.040 0.000 0.749 102 A CB -2.025 16.901 19.000 -0.123 0.000 1.072 102 A HN 0.593 nan 8.150 nan 0.000 0.426 103 E N 0.055 120.315 120.200 0.100 0.000 2.049 103 E HA -0.208 4.143 4.350 0.001 0.000 0.198 103 E C 1.232 177.891 176.600 0.099 0.000 1.007 103 E CA 1.944 58.393 56.400 0.082 0.000 0.809 103 E CB -0.085 29.659 29.700 0.073 0.000 0.749 103 E HN 0.881 nan 8.360 nan 0.000 0.450 104 K N -0.291 120.184 120.400 0.125 0.000 2.576 104 K HA 0.049 4.369 4.320 0.001 0.000 0.209 104 K C -0.323 176.344 176.600 0.111 0.000 1.049 104 K CA -0.491 55.851 56.287 0.093 0.000 1.140 104 K CB 0.054 32.601 32.500 0.078 0.000 0.871 104 K HN 0.029 nan 8.250 nan 0.000 0.479 105 W N 2.406 123.655 121.300 -0.084 0.000 2.253 105 W HA 0.090 4.750 4.660 0.001 0.000 0.322 105 W C -0.476 175.876 176.519 -0.279 0.000 1.342 105 W CA -0.172 57.030 57.345 -0.238 0.000 1.218 105 W CB 0.545 29.892 29.460 -0.189 0.000 1.205 105 W HN 0.031 nan 8.180 nan 0.000 0.551 106 D N 8.297 128.156 120.400 -0.902 0.000 2.476 106 D HA 0.245 4.886 4.640 0.001 0.000 0.251 106 D C -1.547 174.025 176.300 -1.213 0.000 1.291 106 D CA -2.093 51.379 54.000 -0.880 0.000 0.939 106 D CB 2.144 42.686 40.800 -0.430 0.000 1.221 106 D HN 0.103 nan 8.370 nan 0.000 0.567 107 P HA -0.149 nan 4.420 nan 0.000 0.218 107 P C 1.169 178.190 177.300 -0.465 0.000 1.149 107 P CA 0.982 63.450 63.100 -1.054 0.000 0.817 107 P CB 0.595 31.718 31.700 -0.961 0.000 0.785 108 Q N -0.189 119.376 119.800 -0.392 0.000 2.224 108 Q HA -0.169 4.171 4.340 0.001 0.000 0.203 108 Q C 2.305 178.190 176.000 -0.192 0.000 0.970 108 Q CA 1.115 56.782 55.803 -0.228 0.000 0.865 108 Q CB -0.272 28.350 28.738 -0.193 0.000 0.922 108 Q HN 0.413 nan 8.270 nan 0.000 0.445 109 E N -0.391 119.670 120.200 -0.232 0.000 2.107 109 E HA -0.171 4.179 4.350 0.001 0.000 0.191 109 E C 1.281 177.813 176.600 -0.114 0.000 0.982 109 E CA 0.702 57.012 56.400 -0.150 0.000 0.809 109 E CB 0.124 29.747 29.700 -0.127 0.000 0.756 109 E HN 0.349 nan 8.360 nan 0.000 0.459 110 W N 0.594 121.620 121.300 -0.457 0.000 2.378 110 W HA 0.032 4.692 4.660 0.001 0.000 0.313 110 W C 2.467 178.365 176.519 -1.036 0.000 1.197 110 W CA 1.087 57.951 57.345 -0.802 0.000 1.304 110 W CB -1.196 27.994 29.460 -0.450 0.000 1.148 110 W HN 0.158 nan 8.180 nan 0.000 0.494 111 A N -0.486 122.207 122.820 -0.211 0.000 2.024 111 A HA -0.217 4.103 4.320 0.001 0.000 0.220 111 A C 1.624 179.172 177.584 -0.061 0.000 1.164 111 A CA 2.289 54.309 52.037 -0.028 0.000 0.643 111 A CB -0.753 18.273 19.000 0.044 0.000 0.806 111 A HN 0.272 nan 8.150 nan 0.000 0.451 112 D N -1.156 119.166 120.400 -0.130 0.000 2.240 112 D HA 0.044 4.684 4.640 0.001 0.000 0.206 112 D C 1.812 178.062 176.300 -0.083 0.000 0.963 112 D CA 0.244 54.199 54.000 -0.075 0.000 0.863 112 D CB -0.038 40.720 40.800 -0.069 0.000 0.973 112 D HN 0.339 nan 8.370 nan 0.000 0.501 113 L N -0.076 121.029 121.223 -0.197 0.000 1.990 113 L HA -0.217 4.124 4.340 0.001 0.000 0.213 113 L C 1.679 178.560 176.870 0.018 0.000 1.072 113 L CA 1.355 56.098 54.840 -0.161 0.000 0.755 113 L CB -0.233 41.623 42.059 -0.339 0.000 0.889 113 L HN 0.069 nan 8.230 nan 0.000 0.432 114 F N 0.266 120.228 119.950 0.020 0.000 2.186 114 F HA -0.173 4.354 4.527 0.001 0.000 0.299 114 F C 2.566 178.374 175.800 0.014 0.000 1.090 114 F CA 1.224 59.221 58.000 -0.006 0.000 1.307 114 F CB -1.039 37.950 39.000 -0.018 0.000 1.019 114 F HN 0.098 nan 8.300 nan 0.000 0.489 115 K N 0.907 121.421 120.400 0.191 0.000 2.026 115 K HA -0.187 4.133 4.320 0.001 0.000 0.208 115 K C 1.961 178.635 176.600 0.122 0.000 1.048 115 K CA 1.548 57.909 56.287 0.124 0.000 0.929 115 K CB -0.077 32.467 32.500 0.073 0.000 0.713 115 K HN 0.084 nan 8.250 nan 0.000 0.439 116 K N -0.203 120.260 120.400 0.106 0.000 2.211 116 K HA -0.039 4.282 4.320 0.001 0.000 0.203 116 K C 1.782 178.474 176.600 0.154 0.000 1.050 116 K CA 0.996 57.345 56.287 0.103 0.000 0.945 116 K CB 0.039 32.579 32.500 0.067 0.000 0.732 116 K HN 0.214 nan 8.250 nan 0.000 0.451 117 A N 0.107 123.051 122.820 0.207 0.000 2.167 117 A HA 0.131 4.451 4.320 0.001 0.000 0.214 117 A C 1.583 179.410 177.584 0.406 0.000 1.151 117 A CA 1.089 53.300 52.037 0.291 0.000 0.735 117 A CB -0.393 18.816 19.000 0.349 0.000 0.802 117 A HN 0.411 nan 8.150 nan 0.000 0.467 118 G N -2.111 106.898 108.800 0.349 0.000 2.194 118 G HA2 0.088 4.048 3.960 0.001 0.000 0.236 118 G HA3 0.088 4.048 3.960 0.001 0.000 0.236 118 G C 0.551 175.738 174.900 0.478 0.000 0.987 118 G CA 0.299 45.666 45.100 0.444 0.000 0.635 118 G HN 1.614 nan 8.290 nan 0.000 0.520 119 A N -0.110 122.852 122.820 0.237 0.000 2.507 119 A HA 0.574 4.894 4.320 0.001 0.000 0.235 119 A C 1.316 178.891 177.584 -0.015 0.000 1.070 119 A CA 1.211 53.121 52.037 -0.211 0.000 0.768 119 A CB 0.354 18.998 19.000 -0.593 0.000 1.011 119 A HN 0.197 nan 8.150 nan 0.000 0.502 120 K N -0.193 120.206 120.400 -0.000 0.000 2.380 120 K HA 0.173 4.493 4.320 0.001 0.000 0.198 120 K C -0.763 176.000 176.600 0.272 0.000 1.070 120 K CA 0.593 56.975 56.287 0.158 0.000 1.040 120 K CB 0.380 33.044 32.500 0.274 0.000 0.903 120 K HN 0.810 nan 8.250 nan 0.000 0.549 121 Y N -2.950 117.365 120.300 0.025 0.000 2.625 121 Y HA 0.679 5.229 4.550 0.001 0.000 0.338 121 Y C -0.865 175.009 175.900 -0.043 0.000 1.123 121 Y CA -1.599 56.537 58.100 0.059 0.000 1.046 121 Y CB 1.140 39.752 38.460 0.253 0.000 1.299 121 Y HN -0.324 nan 8.280 nan 0.000 0.464 122 V N 3.189 123.174 119.914 0.119 0.000 2.686 122 V HA 0.524 4.644 4.120 0.001 0.000 0.306 122 V C -0.834 175.250 176.094 -0.017 0.000 1.065 122 V CA -0.812 61.467 62.300 -0.035 0.000 0.894 122 V CB 1.945 33.834 31.823 0.111 0.000 1.004 122 V HN 0.754 nan 8.190 nan 0.000 0.424 123 I N 6.789 127.322 120.570 -0.063 0.000 2.517 123 I HA 0.392 4.563 4.170 0.001 0.000 0.280 123 I C -2.677 173.516 176.117 0.126 0.000 1.061 123 I CA -1.556 59.721 61.300 -0.038 0.000 1.091 123 I CB 2.780 40.749 38.000 -0.052 0.000 1.205 123 I HN 0.432 nan 8.210 nan 0.000 0.459 124 P HA 0.224 nan 4.420 nan 0.000 0.285 124 P C -0.375 177.034 177.300 0.181 0.000 1.269 124 P CA -0.426 62.800 63.100 0.210 0.000 0.844 124 P CB 1.046 32.967 31.700 0.368 0.000 1.094 125 T N -2.107 112.474 114.554 0.044 0.000 2.750 125 T HA 0.132 4.483 4.350 0.001 0.000 0.286 125 T C 1.386 176.250 174.700 0.273 0.000 0.911 125 T CA -0.010 62.113 62.100 0.039 0.000 1.130 125 T CB -0.910 67.775 68.868 -0.305 0.000 0.873 125 T HN 0.528 nan 8.240 nan 0.000 0.536 126 T N 0.043 114.832 114.554 0.391 0.000 2.942 126 T HA 0.075 4.425 4.350 0.001 0.000 0.265 126 T C 0.595 175.625 174.700 0.550 0.000 1.062 126 T CA 0.361 62.737 62.100 0.460 0.000 1.139 126 T CB -0.032 69.048 68.868 0.353 0.000 0.883 126 T HN 0.661 nan 8.240 nan 0.000 0.468 127 K N 0.532 121.195 120.400 0.439 0.000 2.656 127 K HA 0.189 4.509 4.320 0.001 0.000 0.253 127 K C -1.289 175.415 176.600 0.173 0.000 1.002 127 K CA -0.666 55.776 56.287 0.259 0.000 0.880 127 K CB 1.342 33.935 32.500 0.156 0.000 1.232 127 K HN 0.325 nan 8.250 nan 0.000 0.456 128 H N 1.841 120.971 119.070 0.100 0.000 2.417 128 H HA 0.176 4.732 4.556 0.001 0.000 0.325 128 H C 0.774 175.976 175.328 -0.209 0.000 1.549 128 H CA 0.140 56.158 56.048 -0.050 0.000 1.476 128 H CB 0.941 30.620 29.762 -0.139 0.000 1.732 128 H HN 0.674 nan 8.280 nan 0.000 0.695 129 H N 0.147 118.811 119.070 -0.676 0.000 2.457 129 H HA -0.130 4.426 4.556 0.001 0.000 0.297 129 H C 1.423 176.102 175.328 -1.083 0.000 1.092 129 H CA 1.352 56.693 56.048 -1.180 0.000 1.309 129 H CB -0.365 28.150 29.762 -2.078 0.000 1.382 129 H HN 0.578 nan 8.280 nan 0.000 0.535 130 D N -0.635 119.588 120.400 -0.296 0.000 2.371 130 D HA 0.005 4.646 4.640 0.001 0.000 0.221 130 D C 1.755 178.301 176.300 0.410 0.000 0.986 130 D CA 0.896 55.037 54.000 0.236 0.000 0.899 130 D CB -0.415 40.757 40.800 0.620 0.000 0.902 130 D HN 0.414 nan 8.370 nan 0.000 0.530 131 G N -0.232 108.738 108.800 0.283 0.000 2.205 131 G HA2 -0.303 3.658 3.960 0.001 0.000 0.261 131 G HA3 -0.303 3.658 3.960 0.001 0.000 0.261 131 G C 0.009 175.216 174.900 0.512 0.000 0.980 131 G CA 0.093 45.439 45.100 0.410 0.000 0.632 131 G HN 0.437 nan 8.290 nan 0.000 0.533 132 F N 2.357 122.468 119.950 0.268 0.000 2.504 132 F HA 0.533 5.060 4.527 0.001 0.000 0.369 132 F C 0.811 176.576 175.800 -0.059 0.000 1.082 132 F CA -0.603 57.288 58.000 -0.182 0.000 1.216 132 F CB 0.461 39.192 39.000 -0.449 0.000 1.108 132 F HN 0.185 nan 8.300 nan 0.000 0.554 133 C N 7.813 126.620 119.300 -0.820 0.000 2.295 133 C HA 0.311 4.771 4.460 0.001 0.000 0.331 133 C C 1.192 175.795 174.990 -0.646 0.000 1.280 133 C CA -1.008 57.688 59.018 -0.537 0.000 1.746 133 C CB 0.341 27.628 27.740 -0.756 0.000 2.328 133 C HN 0.765 nan 8.230 nan 0.000 0.521 134 L N 2.192 123.387 121.223 -0.047 0.000 2.672 134 L HA 0.175 4.516 4.340 0.001 0.000 0.236 134 L C 0.111 177.126 176.870 0.242 0.000 1.186 134 L CA 0.311 55.176 54.840 0.041 0.000 0.977 134 L CB -0.951 41.205 42.059 0.162 0.000 1.203 134 L HN 0.866 nan 8.230 nan 0.000 0.448 135 W N -2.071 119.209 121.300 -0.033 0.000 3.040 135 W HA 0.654 5.314 4.660 0.001 0.000 0.344 135 W C 0.476 177.012 176.519 0.028 0.000 1.201 135 W CA -1.257 56.126 57.345 0.063 0.000 1.119 135 W CB 0.785 30.384 29.460 0.233 0.000 1.478 135 W HN -0.125 nan 8.180 nan 0.000 0.586 136 G N 1.814 110.656 108.800 0.070 0.000 3.401 136 G HA2 0.243 4.203 3.960 0.001 0.000 0.251 136 G HA3 0.243 4.203 3.960 0.001 0.000 0.251 136 G C 0.071 174.846 174.900 -0.208 0.000 0.960 136 G CA 0.036 45.079 45.100 -0.094 0.000 1.900 136 G HN 0.602 nan 8.290 nan 0.000 0.645 137 T N -0.195 113.943 114.554 -0.694 0.000 2.937 137 T HA 0.065 4.415 4.350 0.001 0.000 0.316 137 T C 1.680 176.207 174.700 -0.288 0.000 1.079 137 T CA 0.256 62.063 62.100 -0.489 0.000 1.131 137 T CB 0.540 68.934 68.868 -0.789 0.000 1.000 137 T HN 0.569 nan 8.240 nan 0.000 0.549 138 K N 2.843 123.033 120.400 -0.351 0.000 2.374 138 K HA 0.029 4.349 4.320 0.001 0.000 0.196 138 K C 0.347 176.702 176.600 -0.408 0.000 1.023 138 K CA 0.419 56.461 56.287 -0.410 0.000 1.103 138 K CB 0.119 32.328 32.500 -0.485 0.000 0.848 138 K HN 0.683 nan 8.250 nan 0.000 0.528 139 Y N 1.061 121.412 120.300 0.086 0.000 2.462 139 Y HA 0.218 4.769 4.550 0.001 0.000 0.261 139 Y C 0.613 176.679 175.900 0.277 0.000 1.146 139 Y CA -0.087 58.136 58.100 0.204 0.000 1.283 139 Y CB 0.887 39.509 38.460 0.270 0.000 1.090 139 Y HN 0.015 nan 8.280 nan 0.000 0.526 140 T N -1.212 113.491 114.554 0.247 0.000 2.932 140 T HA 0.213 4.563 4.350 0.001 0.000 0.318 140 T C -0.386 174.352 174.700 0.064 0.000 1.265 140 T CA -0.597 61.616 62.100 0.188 0.000 1.036 140 T CB 1.202 70.251 68.868 0.302 0.000 1.209 140 T HN -0.109 nan 8.240 nan 0.000 0.484 141 D N 1.596 122.045 120.400 0.082 0.000 2.355 141 D HA 0.113 4.754 4.640 0.001 0.000 0.218 141 D C 0.444 176.825 176.300 0.135 0.000 1.004 141 D CA 0.322 54.361 54.000 0.064 0.000 0.880 141 D CB -0.005 40.836 40.800 0.067 0.000 0.911 141 D HN 0.396 nan 8.370 nan 0.000 0.528 142 F N 2.818 122.764 119.950 -0.007 0.000 2.662 142 F HA 0.155 4.682 4.527 0.001 0.000 0.365 142 F C 0.144 175.845 175.800 -0.165 0.000 1.222 142 F CA -0.713 57.320 58.000 0.055 0.000 1.315 142 F CB -1.129 37.943 39.000 0.119 0.000 1.711 142 F HN -0.120 nan 8.300 nan 0.000 0.651 143 N N -1.850 116.629 118.700 -0.368 0.000 2.732 143 N HA 0.241 4.982 4.740 0.001 0.000 0.259 143 N C 0.151 175.385 175.510 -0.460 0.000 1.402 143 N CA -0.231 52.355 53.050 -0.775 0.000 0.829 143 N CB 0.783 38.946 38.487 -0.540 0.000 1.495 143 N HN -0.123 nan 8.380 nan 0.000 0.511 144 S N -1.101 114.333 115.700 -0.444 0.000 2.522 144 S HA -0.010 4.460 4.470 0.001 0.000 0.227 144 S C 1.229 175.786 174.600 -0.072 0.000 0.986 144 S CA 0.593 58.743 58.200 -0.083 0.000 0.929 144 S CB -0.468 62.677 63.200 -0.091 0.000 0.769 144 S HN 0.357 nan 8.310 nan 0.000 0.529 145 V N 1.770 121.631 119.914 -0.089 0.000 2.446 145 V HA 0.047 4.168 4.120 0.001 0.000 0.244 145 V C 2.529 178.606 176.094 -0.028 0.000 1.039 145 V CA 1.266 63.540 62.300 -0.044 0.000 1.045 145 V CB -0.403 31.400 31.823 -0.033 0.000 0.681 145 V HN 0.416 nan 8.190 nan 0.000 0.459 146 K N -0.473 119.909 120.400 -0.030 0.000 2.305 146 K HA 0.095 4.415 4.320 0.001 0.000 0.199 146 K C 1.502 178.118 176.600 0.027 0.000 1.047 146 K CA 0.418 56.705 56.287 -0.000 0.000 0.976 146 K CB 0.198 32.701 32.500 0.005 0.000 0.765 146 K HN 0.329 nan 8.250 nan 0.000 0.474 147 R N -0.732 119.795 120.500 0.045 0.000 2.471 147 R HA 0.224 4.564 4.340 0.001 0.000 0.113 147 R C 2.042 178.355 176.300 0.022 0.000 1.392 147 R CA 0.254 56.398 56.100 0.073 0.000 1.211 147 R CB -1.280 29.121 30.300 0.168 0.000 1.102 147 R HN 0.077 nan 8.270 nan 0.000 0.430 148 G N 1.994 110.797 108.800 0.006 0.000 2.484 148 G HA2 -0.162 3.798 3.960 0.001 0.000 0.215 148 G HA3 -0.162 3.798 3.960 0.001 0.000 0.215 148 G C -1.190 173.617 174.900 -0.155 0.000 1.219 148 G CA 0.679 45.732 45.100 -0.077 0.000 0.791 148 G HN 0.319 nan 8.290 nan 0.000 0.550 149 P HA 0.050 nan 4.420 nan 0.000 0.223 149 P C 0.293 177.515 177.300 -0.130 0.000 1.151 149 P CA 0.612 63.537 63.100 -0.293 0.000 0.787 149 P CB 0.200 31.612 31.700 -0.479 0.000 0.788 150 K N -0.701 119.649 120.400 -0.083 0.000 3.156 150 K HA -0.210 4.111 4.320 0.001 0.000 0.266 150 K C 0.070 176.657 176.600 -0.022 0.000 0.966 150 K CA 0.823 57.087 56.287 -0.037 0.000 0.719 150 K CB -1.742 30.744 32.500 -0.023 0.000 1.333 150 K HN 0.407 nan 8.250 nan 0.000 0.468 151 R N 0.629 121.110 120.500 -0.032 0.000 2.561 151 R HA 0.118 4.458 4.340 0.001 0.000 0.266 151 R C -1.606 174.709 176.300 0.026 0.000 1.091 151 R CA -0.702 55.406 56.100 0.013 0.000 0.927 151 R CB 1.272 31.588 30.300 0.027 0.000 1.240 151 R HN 0.024 nan 8.270 nan 0.000 0.449 152 D N 4.838 125.294 120.400 0.093 0.000 2.435 152 D HA 0.104 4.744 4.640 0.001 0.000 0.230 152 D C 0.825 177.226 176.300 0.170 0.000 1.215 152 D CA 0.002 54.092 54.000 0.151 0.000 0.947 152 D CB 0.655 41.580 40.800 0.209 0.000 1.048 152 D HN 0.536 nan 8.370 nan 0.000 0.512 153 L N 2.962 124.250 121.223 0.109 0.000 2.072 153 L HA -0.098 4.242 4.340 0.001 0.000 0.205 153 L C 2.432 179.447 176.870 0.241 0.000 1.079 153 L CA 0.366 55.255 54.840 0.082 0.000 0.752 153 L CB -0.276 41.675 42.059 -0.180 0.000 0.906 153 L HN 0.281 nan 8.230 nan 0.000 0.436 154 V N 0.459 120.483 119.914 0.183 0.000 2.295 154 V HA -0.226 3.895 4.120 0.001 0.000 0.246 154 V C 2.630 178.585 176.094 -0.232 0.000 1.049 154 V CA 2.152 64.502 62.300 0.082 0.000 1.024 154 V CB -1.288 30.526 31.823 -0.015 0.000 0.648 154 V HN 0.569 nan 8.190 nan 0.000 0.447 155 G N -0.594 108.051 108.800 -0.259 0.000 2.418 155 G HA2 -0.240 3.721 3.960 0.001 0.000 0.217 155 G HA3 -0.240 3.721 3.960 0.001 0.000 0.217 155 G C 1.209 176.074 174.900 -0.059 0.000 1.158 155 G CA 1.058 46.043 45.100 -0.193 0.000 0.771 155 G HN 0.513 nan 8.290 nan 0.000 0.545 156 D N -0.377 120.071 120.400 0.081 0.000 2.234 156 D HA -0.007 4.634 4.640 0.001 0.000 0.205 156 D C 2.272 178.596 176.300 0.040 0.000 0.962 156 D CA 0.121 54.172 54.000 0.084 0.000 0.855 156 D CB -0.046 40.867 40.800 0.189 0.000 0.951 156 D HN 0.226 nan 8.370 nan 0.000 0.500 157 L N 0.752 122.085 121.223 0.183 0.000 2.072 157 L HA 0.099 4.439 4.340 0.001 0.000 0.205 157 L C 2.055 178.860 176.870 -0.109 0.000 1.079 157 L CA 1.279 56.237 54.840 0.197 0.000 0.752 157 L CB -0.860 41.533 42.059 0.557 0.000 0.906 157 L HN -0.038 nan 8.230 nan 0.000 0.436 158 A N -0.251 122.228 122.820 -0.569 0.000 1.873 158 A HA -0.313 4.007 4.320 0.001 0.000 0.218 158 A C 2.373 179.687 177.584 -0.450 0.000 1.193 158 A CA 2.393 53.728 52.037 -1.171 0.000 0.629 158 A CB -0.629 17.639 19.000 -1.221 0.000 0.826 158 A HN 0.493 nan 8.150 nan 0.000 0.447 159 K N -0.658 119.596 120.400 -0.244 0.000 2.057 159 K HA -0.058 4.263 4.320 0.001 0.000 0.207 159 K C 2.337 178.882 176.600 -0.092 0.000 1.049 159 K CA 1.179 57.393 56.287 -0.123 0.000 0.931 159 K CB -0.330 32.125 32.500 -0.075 0.000 0.714 159 K HN 0.471 nan 8.250 nan 0.000 0.440 160 A N 0.801 123.565 122.820 -0.092 0.000 1.898 160 A HA -0.117 4.203 4.320 0.001 0.000 0.216 160 A C 2.344 179.925 177.584 -0.004 0.000 1.181 160 A CA 1.367 53.363 52.037 -0.069 0.000 0.620 160 A CB -0.659 18.273 19.000 -0.113 0.000 0.819 160 A HN 0.075 nan 8.150 nan 0.000 0.442 161 V N -0.116 119.826 119.914 0.047 0.000 2.332 161 V HA -0.270 3.850 4.120 0.001 0.000 0.248 161 V C 2.640 178.784 176.094 0.083 0.000 1.055 161 V CA 2.366 64.751 62.300 0.142 0.000 1.038 161 V CB -0.764 31.237 31.823 0.297 0.000 0.651 161 V HN 0.527 nan 8.190 nan 0.000 0.450 162 R N -0.486 120.025 120.500 0.019 0.000 2.148 162 R HA -0.079 4.261 4.340 0.001 0.000 0.223 162 R C 2.209 178.509 176.300 -0.000 0.000 1.088 162 R CA 1.009 57.115 56.100 0.011 0.000 0.985 162 R CB -0.125 30.164 30.300 -0.019 0.000 0.880 162 R HN 0.611 nan 8.270 nan 0.000 0.451 163 E N 0.099 120.292 120.200 -0.011 0.000 2.208 163 E HA -0.067 4.283 4.350 0.001 0.000 0.193 163 E C 1.549 178.145 176.600 -0.006 0.000 0.988 163 E CA 0.884 57.275 56.400 -0.016 0.000 0.828 163 E CB 0.132 29.814 29.700 -0.031 0.000 0.763 163 E HN 0.310 nan 8.360 nan 0.000 0.478 164 A N 0.208 123.033 122.820 0.008 0.000 2.208 164 A HA 0.237 4.558 4.320 0.001 0.000 0.209 164 A C 1.676 179.275 177.584 0.024 0.000 1.161 164 A CA 0.814 52.861 52.037 0.017 0.000 0.782 164 A CB -0.233 18.788 19.000 0.035 0.000 0.816 164 A HN 0.317 nan 8.150 nan 0.000 0.477 165 G N -1.419 107.393 108.800 0.021 0.000 2.131 165 G HA2 -0.170 3.790 3.960 0.001 0.000 0.223 165 G HA3 -0.170 3.790 3.960 0.001 0.000 0.223 165 G C -0.017 174.894 174.900 0.018 0.000 0.990 165 G CA 0.215 45.322 45.100 0.012 0.000 0.671 165 G HN 0.405 nan 8.290 nan 0.000 0.521 166 L N 0.132 121.383 121.223 0.047 0.000 2.352 166 L HA 0.654 4.994 4.340 0.001 0.000 0.269 166 L C 1.038 177.941 176.870 0.056 0.000 1.034 166 L CA -1.247 53.632 54.840 0.066 0.000 0.806 166 L CB 0.819 42.952 42.059 0.124 0.000 1.244 166 L HN -0.002 nan 8.230 nan 0.000 0.447 167 R N 0.911 121.418 120.500 0.012 0.000 2.615 167 R HA 0.362 4.702 4.340 0.001 0.000 0.270 167 R C -1.077 175.349 176.300 0.210 0.000 1.081 167 R CA -0.285 55.779 56.100 -0.060 0.000 1.154 167 R CB 0.968 30.937 30.300 -0.553 0.000 1.063 167 R HN 0.378 nan 8.270 nan 0.000 0.519 168 F N 0.114 120.115 119.950 0.086 0.000 2.539 168 F HA 0.491 5.019 4.527 0.001 0.000 0.328 168 F C -0.221 175.726 175.800 0.245 0.000 1.148 168 F CA -0.436 57.669 58.000 0.174 0.000 0.940 168 F CB 1.605 40.688 39.000 0.139 0.000 1.194 168 F HN 0.573 nan 8.300 nan 0.000 0.438 169 G N 3.329 111.953 108.800 -0.293 0.000 2.552 169 G HA2 0.634 4.594 3.960 0.001 0.000 0.324 169 G HA3 0.634 4.594 3.960 0.001 0.000 0.324 169 G C -1.543 173.099 174.900 -0.430 0.000 1.217 169 G CA -0.697 44.318 45.100 -0.142 0.000 0.989 169 G HN 1.010 nan 8.290 nan 0.000 0.490 170 V N -2.083 117.812 119.914 -0.031 0.000 2.588 170 V HA 0.645 4.765 4.120 0.001 0.000 0.304 170 V C -1.046 175.231 176.094 0.305 0.000 1.042 170 V CA -1.346 60.995 62.300 0.068 0.000 0.877 170 V CB 1.118 32.996 31.823 0.090 0.000 0.996 170 V HN 0.751 nan 8.190 nan 0.000 0.425 171 Y N 5.171 125.607 120.300 0.227 0.000 2.304 171 Y HA 0.704 5.255 4.550 0.001 0.000 0.328 171 Y C -1.183 174.907 175.900 0.318 0.000 1.123 171 Y CA -1.041 57.260 58.100 0.334 0.000 1.218 171 Y CB 1.436 40.037 38.460 0.235 0.000 1.207 171 Y HN 0.841 nan 8.280 nan 0.000 0.495 172 Y N 4.308 124.441 120.300 -0.278 0.000 2.396 172 Y HA 0.314 4.864 4.550 0.001 0.000 0.332 172 Y C -0.688 174.963 175.900 -0.415 0.000 1.034 172 Y CA -0.855 57.154 58.100 -0.151 0.000 1.057 172 Y CB 1.712 40.198 38.460 0.042 0.000 1.220 172 Y HN 0.627 nan 8.280 nan 0.000 0.440 173 S N 4.391 119.676 115.700 -0.691 0.000 3.530 173 S HA 0.216 4.686 4.470 0.001 0.000 0.279 173 S C 1.177 175.519 174.600 -0.430 0.000 1.280 173 S CA 0.410 58.327 58.200 -0.471 0.000 0.946 173 S CB -0.608 62.422 63.200 -0.284 0.000 1.501 173 S HN 1.066 nan 8.310 nan 0.000 0.498 174 G N 3.185 111.912 108.800 -0.122 0.000 2.402 174 G HA2 -0.062 3.898 3.960 0.001 0.000 0.216 174 G HA3 -0.062 3.898 3.960 0.001 0.000 0.216 174 G C 1.282 176.097 174.900 -0.143 0.000 1.162 174 G CA 0.559 45.624 45.100 -0.059 0.000 0.777 174 G HN 0.738 nan 8.290 nan 0.000 0.539 175 G N -0.925 107.786 108.800 -0.148 0.000 2.650 175 G HA2 0.305 4.266 3.960 0.001 0.000 0.214 175 G HA3 0.305 4.266 3.960 0.001 0.000 0.214 175 G C -0.007 174.741 174.900 -0.254 0.000 1.136 175 G CA 0.200 45.204 45.100 -0.160 0.000 0.789 175 G HN 0.298 nan 8.290 nan 0.000 0.536 176 L N 0.596 121.622 121.223 -0.328 0.000 2.438 176 L HA 0.549 4.889 4.340 0.001 0.000 0.270 176 L C -1.989 174.597 176.870 -0.475 0.000 0.972 176 L CA -0.997 53.565 54.840 -0.463 0.000 0.831 176 L CB 2.525 44.143 42.059 -0.736 0.000 1.273 176 L HN -0.138 nan 8.230 nan 0.000 0.405 177 D N 3.151 123.290 120.400 -0.435 0.000 2.478 177 D HA 0.165 4.805 4.640 0.001 0.000 0.240 177 D C -0.185 176.142 176.300 0.045 0.000 1.364 177 D CA -0.200 53.675 54.000 -0.208 0.000 0.987 177 D CB 0.990 41.765 40.800 -0.040 0.000 1.328 177 D HN 0.396 nan 8.370 nan 0.000 0.584 178 W N 2.671 123.995 121.300 0.040 0.000 3.180 178 W HA 0.082 4.742 4.660 0.000 0.000 0.254 178 W C 1.605 178.131 176.519 0.013 0.000 1.318 178 W CA -0.258 57.081 57.345 -0.009 0.000 1.608 178 W CB -0.194 29.235 29.460 -0.052 0.000 1.124 178 W HN 0.319 nan 8.180 nan 0.000 0.694 179 R N -0.284 120.364 120.500 0.247 0.000 2.316 179 R HA -0.040 4.301 4.340 0.001 0.000 0.202 179 R C 0.806 176.977 176.300 -0.214 0.000 1.029 179 R CA 0.674 56.767 56.100 -0.012 0.000 1.018 179 R CB -0.831 29.417 30.300 -0.088 0.000 0.888 179 R HN 0.210 nan 8.270 nan 0.000 0.471 180 F N -0.605 119.319 119.950 -0.044 0.000 2.706 180 F HA 0.139 4.666 4.527 0.001 0.000 0.313 180 F C 0.737 176.490 175.800 -0.078 0.000 1.096 180 F CA -0.208 57.739 58.000 -0.088 0.000 1.219 180 F CB 0.605 39.500 39.000 -0.174 0.000 1.051 180 F HN -0.218 nan 8.300 nan 0.000 0.568 181 T N -3.682 110.935 114.554 0.106 0.000 2.900 181 T HA 0.417 4.767 4.350 0.001 0.000 0.295 181 T C 0.706 175.399 174.700 -0.011 0.000 1.044 181 T CA -0.004 62.117 62.100 0.035 0.000 0.995 181 T CB 2.028 70.913 68.868 0.029 0.000 1.072 181 T HN 0.038 nan 8.240 nan 0.000 0.473 182 T N -1.353 113.172 114.554 -0.049 0.000 3.021 182 T HA 0.224 4.575 4.350 0.001 0.000 0.245 182 T C 0.588 175.211 174.700 -0.128 0.000 1.028 182 T CA 0.184 62.237 62.100 -0.079 0.000 1.139 182 T CB -0.317 68.514 68.868 -0.062 0.000 0.884 182 T HN 0.679 nan 8.240 nan 0.000 0.457 183 E N 4.251 124.377 120.200 -0.123 0.000 2.338 183 E HA 0.332 4.683 4.350 0.001 0.000 0.272 183 E C -2.424 174.027 176.600 -0.247 0.000 1.029 183 E CA -2.382 53.926 56.400 -0.153 0.000 0.872 183 E CB 0.720 30.361 29.700 -0.097 0.000 1.015 183 E HN 0.259 nan 8.360 nan 0.000 0.417 184 P HA 0.113 nan 4.420 nan 0.000 0.276 184 P C -0.471 176.597 177.300 -0.387 0.000 1.244 184 P CA -0.369 62.493 63.100 -0.396 0.000 0.801 184 P CB 0.601 32.074 31.700 -0.378 0.000 1.006 185 I N 3.026 123.331 120.570 -0.441 0.000 2.421 185 I HA 0.135 4.305 4.170 0.001 0.000 0.291 185 I C 1.750 177.464 176.117 -0.671 0.000 1.089 185 I CA 0.287 61.259 61.300 -0.547 0.000 1.354 185 I CB -0.174 37.460 38.000 -0.610 0.000 1.413 185 I HN 0.414 nan 8.210 nan 0.000 0.513 186 R N 4.441 124.586 120.500 -0.593 0.000 2.195 186 R HA 0.159 4.499 4.340 0.001 0.000 0.197 186 R C -0.482 175.429 176.300 -0.649 0.000 0.990 186 R CA 0.633 56.267 56.100 -0.776 0.000 1.048 186 R CB 0.436 30.210 30.300 -0.877 0.000 0.997 186 R HN 0.448 nan 8.270 nan 0.000 0.502 187 Y N -1.325 118.964 120.300 -0.017 0.000 2.576 187 Y HA 0.306 4.857 4.550 0.001 0.000 0.346 187 Y C -1.938 174.040 175.900 0.132 0.000 1.018 187 Y CA -2.980 55.246 58.100 0.210 0.000 1.050 187 Y CB 1.168 39.727 38.460 0.165 0.000 1.280 187 Y HN -0.227 nan 8.280 nan 0.000 0.474 188 P HA -0.125 nan 4.420 nan 0.000 0.218 188 P C 0.403 177.816 177.300 0.188 0.000 1.148 188 P CA 1.616 64.946 63.100 0.382 0.000 0.822 188 P CB 0.349 32.271 31.700 0.370 0.000 0.784 189 E N -0.686 119.623 120.200 0.182 0.000 2.274 189 E HA -0.136 4.214 4.350 0.001 0.000 0.194 189 E C 1.451 178.106 176.600 0.092 0.000 0.996 189 E CA 0.792 57.274 56.400 0.137 0.000 0.840 189 E CB -0.774 29.012 29.700 0.143 0.000 0.772 189 E HN 0.274 nan 8.360 nan 0.000 0.491 190 D N 0.468 120.865 120.400 -0.004 0.000 2.218 190 D HA -0.127 4.514 4.640 0.001 0.000 0.204 190 D C 1.633 177.694 176.300 -0.398 0.000 0.976 190 D CA 0.686 54.485 54.000 -0.335 0.000 0.853 190 D CB -0.088 40.514 40.800 -0.329 0.000 0.939 190 D HN 0.222 nan 8.370 nan 0.000 0.481 191 L N 0.872 121.990 121.223 -0.174 0.000 2.265 191 L HA -0.134 4.206 4.340 0.001 0.000 0.215 191 L C 2.247 179.075 176.870 -0.070 0.000 1.117 191 L CA 1.008 55.783 54.840 -0.108 0.000 0.782 191 L CB -0.381 41.676 42.059 -0.002 0.000 0.914 191 L HN 0.060 nan 8.230 nan 0.000 0.441 192 S N -0.866 114.825 115.700 -0.014 0.000 2.522 192 S HA -0.138 4.332 4.470 0.001 0.000 0.227 192 S C 1.403 176.077 174.600 0.125 0.000 0.986 192 S CA 0.751 58.990 58.200 0.066 0.000 0.929 192 S CB -0.200 63.071 63.200 0.119 0.000 0.769 192 S HN 0.691 nan 8.310 nan 0.000 0.529 193 Y N -1.052 119.239 120.300 -0.014 0.000 2.438 193 Y HA 0.541 5.091 4.550 0.001 0.000 0.274 193 Y C 0.396 176.274 175.900 -0.036 0.000 1.085 193 Y CA -0.999 57.087 58.100 -0.024 0.000 1.199 193 Y CB 0.259 38.709 38.460 -0.017 0.000 1.317 193 Y HN 0.114 nan 8.280 nan 0.000 0.545 194 I N 4.779 125.095 120.570 -0.424 0.000 2.213 194 I HA 0.276 4.446 4.170 0.001 0.000 0.295 194 I C -0.400 175.620 176.117 -0.161 0.000 1.172 194 I CA 0.095 61.222 61.300 -0.288 0.000 1.443 194 I CB -0.363 37.387 38.000 -0.417 0.000 1.491 194 I HN 0.174 nan 8.210 nan 0.000 0.652 195 R N 4.058 124.492 120.500 -0.110 0.000 2.867 195 R HA 0.410 4.751 4.340 0.001 0.000 0.268 195 R C -1.970 174.231 176.300 -0.166 0.000 1.014 195 R CA -1.826 54.185 56.100 -0.149 0.000 0.946 195 R CB 0.823 31.042 30.300 -0.134 0.000 1.208 195 R HN -0.064 nan 8.270 nan 0.000 0.477 196 P HA -0.135 nan 4.420 nan 0.000 0.216 196 P C -0.084 177.131 177.300 -0.142 0.000 1.153 196 P CA 1.243 64.147 63.100 -0.328 0.000 0.858 196 P CB 0.290 31.370 31.700 -1.033 0.000 0.789 197 N N -3.728 114.888 118.700 -0.140 0.000 2.951 197 N HA -0.127 4.613 4.740 0.001 0.000 0.218 197 N C 0.135 175.579 175.510 -0.110 0.000 0.858 197 N CA 1.894 54.889 53.050 -0.092 0.000 1.050 197 N CB -2.212 36.243 38.487 -0.053 0.000 1.012 197 N HN 0.367 nan 8.380 nan 0.000 0.611 198 T N -2.755 111.774 114.554 -0.043 0.000 2.874 198 T HA 0.437 4.788 4.350 0.001 0.000 0.281 198 T C 1.289 175.948 174.700 -0.068 0.000 0.994 198 T CA -0.399 61.684 62.100 -0.027 0.000 1.015 198 T CB 0.698 69.632 68.868 0.111 0.000 1.028 198 T HN 0.074 nan 8.240 nan 0.000 0.523 199 Y N -0.222 120.117 120.300 0.065 0.000 2.293 199 Y HA 0.012 4.562 4.550 0.000 0.000 0.291 199 Y C 2.756 178.684 175.900 0.047 0.000 1.137 199 Y CA 1.379 59.505 58.100 0.044 0.000 1.202 199 Y CB -0.406 38.073 38.460 0.032 0.000 0.990 199 Y HN 0.851 nan 8.280 nan 0.000 0.537 200 E N -0.538 119.799 120.200 0.229 0.000 2.058 200 E HA -0.310 4.041 4.350 0.001 0.000 0.194 200 E C 1.942 178.630 176.600 0.147 0.000 0.997 200 E CA 1.558 58.072 56.400 0.189 0.000 0.801 200 E CB -0.381 29.449 29.700 0.217 0.000 0.746 200 E HN 0.564 nan 8.360 nan 0.000 0.450 201 Y N 0.430 120.717 120.300 -0.022 0.000 2.200 201 Y HA -0.130 4.421 4.550 0.000 0.000 0.290 201 Y C 1.971 177.797 175.900 -0.124 0.000 1.137 201 Y CA 1.447 59.401 58.100 -0.243 0.000 1.163 201 Y CB -0.541 37.609 38.460 -0.517 0.000 0.988 201 Y HN 0.118 nan 8.280 nan 0.000 0.518 202 A N 0.139 122.853 122.820 -0.176 0.000 1.908 202 A HA -0.216 4.104 4.320 0.001 0.000 0.218 202 A C 1.952 179.477 177.584 -0.098 0.000 1.181 202 A CA 2.121 54.049 52.037 -0.183 0.000 0.627 202 A CB -0.875 18.118 19.000 -0.012 0.000 0.818 202 A HN 0.512 nan 8.150 nan 0.000 0.445 203 D N -1.828 118.564 120.400 -0.013 0.000 2.117 203 D HA -0.146 4.494 4.640 0.001 0.000 0.197 203 D C 1.689 177.993 176.300 0.008 0.000 0.987 203 D CA 1.532 55.554 54.000 0.036 0.000 0.829 203 D CB -0.468 40.365 40.800 0.055 0.000 0.961 203 D HN 0.588 nan 8.370 nan 0.000 0.460 204 Y N 1.611 121.794 120.300 -0.195 0.000 2.097 204 Y HA -0.210 4.340 4.550 0.001 0.000 0.282 204 Y C 2.231 177.989 175.900 -0.237 0.000 1.152 204 Y CA 1.861 59.834 58.100 -0.211 0.000 1.136 204 Y CB -0.561 37.812 38.460 -0.146 0.000 0.975 204 Y HN -0.049 nan 8.280 nan 0.000 0.498 205 A N -0.475 122.068 122.820 -0.461 0.000 1.877 205 A HA -0.257 4.063 4.320 0.001 0.000 0.216 205 A C 2.210 179.766 177.584 -0.046 0.000 1.186 205 A CA 1.780 53.574 52.037 -0.406 0.000 0.620 205 A CB -1.689 16.844 19.000 -0.778 0.000 0.822 205 A HN 0.738 nan 8.150 nan 0.000 0.443 206 Y N 0.789 121.092 120.300 0.004 0.000 2.145 206 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 206 Y C 2.211 178.034 175.900 -0.129 0.000 1.145 206 Y CA 2.386 60.530 58.100 0.073 0.000 1.148 206 Y CB -0.290 38.205 38.460 0.058 0.000 0.981 206 Y HN 0.272 nan 8.280 nan 0.000 0.507 207 K N -0.095 120.149 120.400 -0.260 0.000 2.097 207 K HA -0.195 4.125 4.320 0.001 0.000 0.206 207 K C 2.196 178.586 176.600 -0.351 0.000 1.049 207 K CA 1.783 57.781 56.287 -0.482 0.000 0.933 207 K CB -0.185 31.821 32.500 -0.823 0.000 0.717 207 K HN 0.498 nan 8.250 nan 0.000 0.442 208 Q N 0.170 119.785 119.800 -0.309 0.000 2.079 208 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 208 Q C 2.176 178.091 176.000 -0.141 0.000 0.974 208 Q CA 1.280 57.062 55.803 -0.035 0.000 0.840 208 Q CB 0.055 28.741 28.738 -0.087 0.000 0.898 208 Q HN 0.140 nan 8.270 nan 0.000 0.430 209 V N 0.835 120.538 119.914 -0.351 0.000 2.548 209 V HA -0.216 3.905 4.120 0.001 0.000 0.249 209 V C 2.242 178.179 176.094 -0.263 0.000 1.055 209 V CA 1.108 63.213 62.300 -0.326 0.000 1.065 209 V CB -0.375 31.312 31.823 -0.227 0.000 0.681 209 V HN 0.396 nan 8.190 nan 0.000 0.462 210 M N -0.273 119.116 119.600 -0.352 0.000 2.213 210 M HA -0.181 4.300 4.480 0.001 0.000 0.263 210 M C 2.181 178.393 176.300 -0.147 0.000 1.062 210 M CA 1.662 56.752 55.300 -0.350 0.000 1.105 210 M CB -0.909 31.328 32.600 -0.605 0.000 1.385 210 M HN 0.526 nan 8.290 nan 0.000 0.417 211 E N 0.593 120.755 120.200 -0.063 0.000 2.072 211 E HA -0.140 4.210 4.350 0.001 0.000 0.191 211 E C 2.097 178.645 176.600 -0.088 0.000 0.985 211 E CA 0.765 57.194 56.400 0.048 0.000 0.801 211 E CB 0.054 29.942 29.700 0.312 0.000 0.750 211 E HN 0.455 nan 8.360 nan 0.000 0.452 212 L N 0.267 121.391 121.223 -0.166 0.000 2.083 212 L HA -0.159 4.181 4.340 0.001 0.000 0.209 212 L C 2.494 179.330 176.870 -0.057 0.000 1.083 212 L CA 0.591 55.313 54.840 -0.197 0.000 0.752 212 L CB -0.290 41.626 42.059 -0.239 0.000 0.899 212 L HN 0.111 nan 8.230 nan 0.000 0.433 213 V N -0.241 119.650 119.914 -0.038 0.000 2.295 213 V HA -0.285 3.835 4.120 0.001 0.000 0.246 213 V C 2.061 178.208 176.094 0.089 0.000 1.049 213 V CA 1.938 64.283 62.300 0.075 0.000 1.024 213 V CB -0.439 31.458 31.823 0.123 0.000 0.648 213 V HN 0.423 nan 8.190 nan 0.000 0.447 214 D N -0.480 119.946 120.400 0.044 0.000 2.183 214 D HA -0.077 4.563 4.640 0.001 0.000 0.203 214 D C 1.894 178.138 176.300 -0.094 0.000 0.969 214 D CA 0.882 54.898 54.000 0.027 0.000 0.842 214 D CB 0.006 40.834 40.800 0.048 0.000 0.957 214 D HN 0.221 nan 8.370 nan 0.000 0.484 215 L N -0.737 120.318 121.223 -0.279 0.000 2.145 215 L HA -0.039 4.301 4.340 0.001 0.000 0.201 215 L C 1.389 177.930 176.870 -0.549 0.000 1.075 215 L CA 1.450 55.937 54.840 -0.590 0.000 0.773 215 L CB -0.679 40.654 42.059 -1.209 0.000 0.936 215 L HN 0.082 nan 8.230 nan 0.000 0.451 216 Y N -2.599 117.727 120.300 0.042 0.000 2.453 216 Y HA 0.364 4.915 4.550 0.001 0.000 0.247 216 Y C 0.666 176.640 175.900 0.124 0.000 1.124 216 Y CA -1.653 56.491 58.100 0.073 0.000 1.243 216 Y CB 0.023 38.556 38.460 0.121 0.000 1.213 216 Y HN -0.206 nan 8.280 nan 0.000 0.523 217 L N 2.236 123.587 121.223 0.214 0.000 4.035 217 L HA -0.212 4.129 4.340 0.001 0.000 0.490 217 L C -2.730 174.356 176.870 0.360 0.000 1.163 217 L CA -0.525 54.458 54.840 0.238 0.000 0.680 217 L CB -1.290 40.809 42.059 0.067 0.000 1.409 217 L HN -0.008 nan 8.230 nan 0.000 0.786 218 P HA 0.117 nan 4.420 nan 0.000 0.272 218 P C 0.487 178.166 177.300 0.631 0.000 1.230 218 P CA -0.105 63.292 63.100 0.495 0.000 0.788 218 P CB 0.498 32.407 31.700 0.347 0.000 0.949 219 D N -0.376 120.346 120.400 0.537 0.000 2.348 219 D HA 0.053 4.693 4.640 0.001 0.000 0.211 219 D C 0.067 176.742 176.300 0.625 0.000 0.998 219 D CA 0.953 55.299 54.000 0.578 0.000 0.873 219 D CB 0.373 41.351 40.800 0.297 0.000 0.925 219 D HN 0.081 nan 8.370 nan 0.000 0.524 220 V N 1.526 121.744 119.914 0.506 0.000 2.733 220 V HA 0.243 4.363 4.120 0.001 0.000 0.306 220 V C -0.840 175.468 176.094 0.357 0.000 1.084 220 V CA -0.867 61.707 62.300 0.457 0.000 0.905 220 V CB 2.737 34.843 31.823 0.472 0.000 1.010 220 V HN -0.176 nan 8.190 nan 0.000 0.424 221 L N 3.801 125.206 121.223 0.304 0.000 2.277 221 L HA 0.454 4.794 4.340 0.001 0.000 0.284 221 L C -0.880 176.236 176.870 0.410 0.000 1.028 221 L CA -0.086 54.918 54.840 0.274 0.000 0.835 221 L CB 0.926 43.061 42.059 0.127 0.000 1.215 221 L HN 0.834 nan 8.230 nan 0.000 0.425 222 W N 4.855 126.261 121.300 0.177 0.000 2.313 222 W HA 0.347 5.007 4.660 0.001 0.000 0.315 222 W C 0.571 176.980 176.519 -0.183 0.000 0.917 222 W CA -0.554 56.853 57.345 0.104 0.000 1.626 222 W CB 0.699 30.322 29.460 0.271 0.000 1.574 222 W HN 0.523 nan 8.180 nan 0.000 0.395 223 N N 2.346 120.744 118.700 -0.503 0.000 2.399 223 N HA 0.104 4.844 4.740 0.001 0.000 0.250 223 N C -0.970 174.241 175.510 -0.498 0.000 1.272 223 N CA 0.728 53.333 53.050 -0.741 0.000 0.928 223 N CB 0.786 38.233 38.487 -1.732 0.000 1.158 223 N HN 0.252 nan 8.380 nan 0.000 0.463 224 D N 0.975 121.159 120.400 -0.360 0.000 2.732 224 D HA 0.353 4.994 4.640 0.001 0.000 0.229 224 D C -0.497 175.739 176.300 -0.108 0.000 1.152 224 D CA -0.149 53.767 54.000 -0.139 0.000 0.854 224 D CB 0.774 41.572 40.800 -0.004 0.000 1.590 224 D HN 0.499 nan 8.370 nan 0.000 0.468 225 M N 1.127 120.702 119.600 -0.042 0.000 2.732 225 M HA -0.093 4.388 4.480 0.001 0.000 0.207 225 M C 0.564 176.838 176.300 -0.043 0.000 0.513 225 M CA 1.069 56.343 55.300 -0.043 0.000 0.652 225 M CB -2.516 30.011 32.600 -0.121 0.000 2.410 225 M HN 0.880 nan 8.290 nan 0.000 0.660 226 G N -0.273 108.511 108.800 -0.026 0.000 2.860 226 G HA2 -0.201 3.759 3.960 0.001 0.000 0.553 226 G HA3 -0.201 3.759 3.960 0.001 0.000 0.553 226 G C -0.665 174.332 174.900 0.161 0.000 1.439 226 G CA -0.097 45.040 45.100 0.062 0.000 0.879 226 G HN 0.720 nan 8.290 nan 0.000 0.545 227 W N 1.547 122.885 121.300 0.062 0.000 2.606 227 W HA 0.543 5.203 4.660 0.000 0.000 0.332 227 W C -1.855 174.733 176.519 0.115 0.000 1.052 227 W CA -1.817 55.607 57.345 0.132 0.000 1.223 227 W CB 2.010 31.627 29.460 0.261 0.000 1.383 227 W HN 0.592 nan 8.180 nan 0.000 0.524 228 P HA -0.111 nan 4.420 nan 0.000 0.262 228 P C 0.362 177.692 177.300 0.050 0.000 1.182 228 P CA 0.744 63.769 63.100 -0.125 0.000 0.761 228 P CB 0.897 32.494 31.700 -0.172 0.000 0.795 229 E N 3.201 123.432 120.200 0.052 0.000 2.085 229 E HA -0.219 4.131 4.350 0.001 0.000 0.194 229 E C 1.487 178.146 176.600 0.098 0.000 0.994 229 E CA 1.769 58.222 56.400 0.088 0.000 0.801 229 E CB -0.270 29.455 29.700 0.042 0.000 0.743 229 E HN 0.400 nan 8.360 nan 0.000 0.453 230 K N -1.465 118.954 120.400 0.032 0.000 2.283 230 K HA -0.004 4.316 4.320 0.001 0.000 0.202 230 K C 1.629 178.309 176.600 0.135 0.000 1.048 230 K CA 0.991 57.305 56.287 0.044 0.000 0.948 230 K CB 0.071 32.488 32.500 -0.139 0.000 0.742 230 K HN 0.180 nan 8.250 nan 0.000 0.458 231 G N 0.257 109.169 108.800 0.187 0.000 3.233 231 G HA2 -0.027 3.933 3.960 0.001 0.000 0.234 231 G HA3 -0.027 3.933 3.960 0.001 0.000 0.234 231 G C 0.845 176.015 174.900 0.450 0.000 1.137 231 G CA -0.266 45.030 45.100 0.327 0.000 0.763 231 G HN 0.095 nan 8.290 nan 0.000 0.549 232 K N 0.473 121.100 120.400 0.377 0.000 2.097 232 K HA -0.041 4.280 4.320 0.001 0.000 0.206 232 K C 1.999 178.712 176.600 0.189 0.000 1.049 232 K CA 0.854 57.325 56.287 0.306 0.000 0.933 232 K CB 0.124 32.782 32.500 0.264 0.000 0.717 232 K HN 0.080 nan 8.250 nan 0.000 0.442 233 E N 1.026 121.317 120.200 0.152 0.000 2.274 233 E HA -0.132 4.218 4.350 0.001 0.000 0.194 233 E C 1.292 177.858 176.600 -0.058 0.000 0.996 233 E CA 0.861 57.295 56.400 0.058 0.000 0.840 233 E CB -0.090 29.654 29.700 0.072 0.000 0.772 233 E HN 0.281 nan 8.360 nan 0.000 0.491 234 D N 0.601 121.002 120.400 0.001 0.000 2.218 234 D HA -0.133 4.507 4.640 0.001 0.000 0.204 234 D C 1.966 178.161 176.300 -0.174 0.000 0.976 234 D CA 0.541 54.523 54.000 -0.030 0.000 0.853 234 D CB -0.201 40.507 40.800 -0.153 0.000 0.939 234 D HN 0.231 nan 8.370 nan 0.000 0.481 235 L N 0.701 121.694 121.223 -0.383 0.000 2.275 235 L HA -0.103 4.238 4.340 0.001 0.000 0.215 235 L C 2.293 178.565 176.870 -0.997 0.000 1.119 235 L CA 0.819 55.131 54.840 -0.880 0.000 0.790 235 L CB -0.345 41.042 42.059 -1.120 0.000 0.919 235 L HN 0.144 nan 8.230 nan 0.000 0.443 236 K N -0.745 119.131 120.400 -0.874 0.000 2.217 236 K HA -0.152 4.169 4.320 0.001 0.000 0.202 236 K C 1.789 177.984 176.600 -0.676 0.000 1.051 236 K CA 1.176 56.843 56.287 -1.033 0.000 0.952 236 K CB -0.399 31.137 32.500 -1.608 0.000 0.736 236 K HN 0.147 nan 8.250 nan 0.000 0.453 237 Y N 1.548 121.645 120.300 -0.338 0.000 2.220 237 Y HA -0.029 4.521 4.550 0.001 0.000 0.291 237 Y C 2.316 178.163 175.900 -0.088 0.000 1.129 237 Y CA 0.500 58.502 58.100 -0.164 0.000 1.161 237 Y CB -0.512 37.873 38.460 -0.125 0.000 0.997 237 Y HN -0.026 nan 8.280 nan 0.000 0.522 238 L N -1.356 119.848 121.223 -0.031 0.000 2.093 238 L HA -0.197 4.143 4.340 0.001 0.000 0.208 238 L C 1.918 178.784 176.870 -0.007 0.000 1.085 238 L CA 1.283 56.075 54.840 -0.081 0.000 0.755 238 L CB -0.337 41.564 42.059 -0.264 0.000 0.904 238 L HN 0.058 nan 8.230 nan 0.000 0.435 239 F N 0.151 119.932 119.950 -0.283 0.000 2.146 239 F HA -0.065 4.462 4.527 0.000 0.000 0.298 239 F C 2.662 178.223 175.800 -0.399 0.000 1.096 239 F CA 0.659 58.373 58.000 -0.476 0.000 1.275 239 F CB -1.583 37.148 39.000 -0.449 0.000 1.008 239 F HN 0.161 nan 8.300 nan 0.000 0.480 240 A N -0.861 121.978 122.820 0.032 0.000 1.902 240 A HA -0.256 4.065 4.320 0.001 0.000 0.217 240 A C 2.173 179.857 177.584 0.167 0.000 1.181 240 A CA 1.454 53.561 52.037 0.117 0.000 0.623 240 A CB -1.519 17.541 19.000 0.100 0.000 0.818 240 A HN 0.432 nan 8.150 nan 0.000 0.443 241 Y N -1.321 119.008 120.300 0.050 0.000 2.145 241 Y HA -0.276 4.274 4.550 0.001 0.000 0.286 241 Y C 2.292 178.252 175.900 0.099 0.000 1.145 241 Y CA 2.271 60.413 58.100 0.071 0.000 1.148 241 Y CB -0.562 37.930 38.460 0.053 0.000 0.981 241 Y HN 0.431 nan 8.280 nan 0.000 0.507 242 Y N -0.232 120.121 120.300 0.087 0.000 2.097 242 Y HA -0.322 4.229 4.550 0.000 0.000 0.282 242 Y C 1.997 177.878 175.900 -0.031 0.000 1.152 242 Y CA 1.945 60.025 58.100 -0.033 0.000 1.136 242 Y CB -1.241 37.100 38.460 -0.198 0.000 0.975 242 Y HN 0.224 nan 8.280 nan 0.000 0.498 243 Y N 0.267 120.451 120.300 -0.195 0.000 2.293 243 Y HA -0.147 4.403 4.550 0.001 0.000 0.291 243 Y C 2.315 178.210 175.900 -0.009 0.000 1.137 243 Y CA 1.201 59.091 58.100 -0.349 0.000 1.202 243 Y CB -0.941 37.134 38.460 -0.643 0.000 0.990 243 Y HN 0.221 nan 8.280 nan 0.000 0.537 244 N N 0.141 118.964 118.700 0.206 0.000 2.331 244 N HA -0.093 4.647 4.740 0.001 0.000 0.180 244 N C 1.516 177.054 175.510 0.046 0.000 1.019 244 N CA 0.940 54.081 53.050 0.151 0.000 0.881 244 N CB -0.125 38.417 38.487 0.092 0.000 0.972 244 N HN 0.387 nan 8.380 nan 0.000 0.435 245 K N -0.774 119.614 120.400 -0.020 0.000 2.186 245 K HA -0.032 4.289 4.320 0.001 0.000 0.202 245 K C 0.119 176.775 176.600 0.094 0.000 1.052 245 K CA 0.723 56.996 56.287 -0.023 0.000 0.965 245 K CB 0.163 32.605 32.500 -0.097 0.000 0.746 245 K HN 0.108 nan 8.250 nan 0.000 0.457 246 H N -0.479 118.560 119.070 -0.051 0.000 2.596 246 H HA 0.204 4.760 4.556 0.001 0.000 0.240 246 H C -2.600 172.707 175.328 -0.034 0.000 1.406 246 H CA -2.512 53.504 56.048 -0.053 0.000 1.504 246 H CB 0.926 30.633 29.762 -0.092 0.000 1.688 246 H HN -0.142 nan 8.280 nan 0.000 0.546 247 P HA -0.145 nan 4.420 nan 0.000 0.217 247 P C 0.733 178.058 177.300 0.043 0.000 1.148 247 P CA 1.331 64.516 63.100 0.141 0.000 0.828 247 P CB 0.410 32.232 31.700 0.203 0.000 0.783 248 E N -0.502 119.643 120.200 -0.093 0.000 2.512 248 E HA 0.096 4.446 4.350 0.001 0.000 0.195 248 E C 1.231 177.754 176.600 -0.129 0.000 1.083 248 E CA -0.277 56.111 56.400 -0.020 0.000 0.873 248 E CB -0.335 29.464 29.700 0.164 0.000 0.897 248 E HN 0.220 nan 8.360 nan 0.000 0.514 249 G N 1.173 109.648 108.800 -0.541 0.000 2.606 249 G HA2 0.239 4.199 3.960 0.001 0.000 0.252 249 G HA3 0.239 4.199 3.960 0.001 0.000 0.252 249 G C -0.128 174.903 174.900 0.218 0.000 1.206 249 G CA -0.239 44.707 45.100 -0.256 0.000 0.861 249 G HN 0.150 nan 8.290 nan 0.000 0.561 250 S N -1.681 114.270 115.700 0.418 0.000 2.618 250 S HA 0.745 5.215 4.470 0.001 0.000 0.277 250 S C -1.287 173.503 174.600 0.316 0.000 1.138 250 S CA -0.853 57.541 58.200 0.324 0.000 0.844 250 S CB 2.315 65.542 63.200 0.045 0.000 1.127 250 S HN 0.827 nan 8.310 nan 0.000 0.474 251 V N 2.593 122.570 119.914 0.104 0.000 2.733 251 V HA 0.471 4.592 4.120 0.001 0.000 0.306 251 V C -0.557 175.307 176.094 -0.385 0.000 1.084 251 V CA -0.764 61.493 62.300 -0.071 0.000 0.905 251 V CB 2.060 33.609 31.823 -0.457 0.000 1.010 251 V HN 1.134 nan 8.190 nan 0.000 0.424 252 N N 3.557 121.988 118.700 -0.449 0.000 2.385 252 N HA 0.177 4.917 4.740 0.001 0.000 0.291 252 N C 0.051 175.341 175.510 -0.368 0.000 1.298 252 N CA 0.189 52.600 53.050 -1.064 0.000 0.955 252 N CB 0.292 38.024 38.487 -1.258 0.000 1.096 252 N HN 0.690 nan 8.380 nan 0.000 0.543 253 D N -2.552 117.568 120.400 -0.467 0.000 2.623 253 D HA 0.131 4.772 4.640 0.001 0.000 0.252 253 D C -0.227 175.948 176.300 -0.207 0.000 1.294 253 D CA -0.256 53.578 54.000 -0.277 0.000 0.824 253 D CB -0.230 40.151 40.800 -0.699 0.000 1.070 253 D HN 0.471 nan 8.370 nan 0.000 0.487 254 R N 0.214 120.534 120.500 -0.299 0.000 2.791 254 R HA 0.239 4.579 4.340 0.001 0.000 0.357 254 R C -0.260 175.895 176.300 -0.241 0.000 1.173 254 R CA -0.273 55.642 56.100 -0.308 0.000 1.060 254 R CB -0.016 30.022 30.300 -0.436 0.000 1.406 254 R HN 0.156 nan 8.270 nan 0.000 0.580 255 W N -0.671 120.634 121.300 0.007 0.000 2.993 255 W HA 0.281 4.941 4.660 0.001 0.000 0.290 255 W C 1.283 177.871 176.519 0.115 0.000 1.203 255 W CA 0.254 57.673 57.345 0.123 0.000 1.582 255 W CB 0.500 30.010 29.460 0.084 0.000 1.033 255 W HN 0.293 nan 8.180 nan 0.000 0.594 256 G N 1.406 110.346 108.800 0.234 0.000 2.160 256 G HA2 -0.121 3.840 3.960 0.001 0.000 0.244 256 G HA3 -0.121 3.840 3.960 0.001 0.000 0.244 256 G C -0.178 174.757 174.900 0.058 0.000 1.022 256 G CA 0.199 45.374 45.100 0.126 0.000 0.741 256 G HN 0.519 nan 8.290 nan 0.000 0.508 257 V N -4.392 115.525 119.914 0.005 0.000 3.074 257 V HA 0.878 4.999 4.120 0.001 0.000 0.314 257 V C -0.665 175.203 176.094 -0.377 0.000 1.117 257 V CA -1.404 60.715 62.300 -0.301 0.000 1.014 257 V CB 1.402 32.926 31.823 -0.497 0.000 1.057 257 V HN -0.046 nan 8.190 nan 0.000 0.438 258 P HA -0.071 nan 4.420 nan 0.000 0.216 258 P C 0.211 177.348 177.300 -0.272 0.000 1.150 258 P CA 1.449 64.269 63.100 -0.467 0.000 0.837 258 P CB -0.155 31.151 31.700 -0.657 0.000 0.786 259 H N 0.011 118.862 119.070 -0.365 0.000 2.502 259 H HA 0.353 4.909 4.556 0.000 0.000 0.327 259 H C -0.546 174.733 175.328 -0.081 0.000 1.099 259 H CA -0.577 55.363 56.048 -0.180 0.000 1.323 259 H CB 0.287 30.130 29.762 0.135 0.000 1.450 259 H HN 0.088 nan 8.280 nan 0.000 0.502 260 W N 4.050 124.818 121.300 -0.886 0.000 3.146 260 W HA 0.256 4.916 4.660 0.000 0.000 0.319 260 W C -1.182 174.936 176.519 -0.668 0.000 1.258 260 W CA -0.673 56.243 57.345 -0.715 0.000 1.189 260 W CB 0.836 30.063 29.460 -0.388 0.000 1.412 260 W HN 0.430 nan 8.180 nan 0.000 0.567 261 D N 0.990 121.332 120.400 -0.096 0.000 2.324 261 D HA 0.105 4.746 4.640 0.001 0.000 0.212 261 D C 0.162 176.731 176.300 0.447 0.000 0.984 261 D CA 1.250 55.286 54.000 0.061 0.000 0.885 261 D CB 0.722 41.572 40.800 0.083 0.000 0.996 261 D HN 0.240 nan 8.370 nan 0.000 0.505 262 F N -0.640 119.521 119.950 0.351 0.000 2.631 262 F HA 0.548 5.075 4.527 0.001 0.000 0.308 262 F C -0.432 175.399 175.800 0.051 0.000 1.097 262 F CA -1.353 56.848 58.000 0.336 0.000 0.952 262 F CB 1.319 40.447 39.000 0.213 0.000 1.307 262 F HN -0.519 nan 8.300 nan 0.000 0.450 263 K N 0.748 121.186 120.400 0.064 0.000 2.109 263 K HA 0.703 5.023 4.320 0.001 0.000 0.243 263 K C -0.493 176.252 176.600 0.243 0.000 1.006 263 K CA -0.569 55.590 56.287 -0.213 0.000 0.917 263 K CB 1.881 34.193 32.500 -0.313 0.000 1.081 263 K HN 0.942 nan 8.250 nan 0.000 0.468 264 T N -2.443 112.185 114.554 0.123 0.000 2.901 264 T HA 0.823 5.174 4.350 0.001 0.000 0.293 264 T C -1.046 173.847 174.700 0.322 0.000 1.084 264 T CA -1.014 61.279 62.100 0.320 0.000 1.008 264 T CB 1.968 70.936 68.868 0.167 0.000 1.170 264 T HN 0.641 nan 8.240 nan 0.000 0.509 265 A N 0.579 123.669 122.820 0.449 0.000 2.594 265 A HA 0.675 4.995 4.320 0.001 0.000 0.296 265 A C -0.339 177.480 177.584 0.391 0.000 1.061 265 A CA -0.890 51.395 52.037 0.413 0.000 0.689 265 A CB 1.062 20.331 19.000 0.449 0.000 1.280 265 A HN 0.888 nan 8.150 nan 0.000 0.406 266 E N 0.005 120.400 120.200 0.324 0.000 2.630 266 E HA 0.263 4.614 4.350 0.001 0.000 0.218 266 E C -0.820 176.018 176.600 0.396 0.000 0.977 266 E CA 0.160 56.661 56.400 0.169 0.000 1.038 266 E CB 0.939 30.728 29.700 0.148 0.000 1.051 266 E HN 0.598 nan 8.360 nan 0.000 0.487 275 L N -0.349 120.869 121.223 -0.008 0.000 2.453 275 L HA 0.599 4.939 4.340 0.001 0.000 0.261 275 L C -1.817 175.040 176.870 -0.023 0.000 1.179 275 L CA -1.353 53.487 54.840 -0.000 0.000 0.813 275 L CB -0.416 41.663 42.059 0.034 0.000 1.110 275 L HN 0.367 nan 8.230 nan 0.000 0.466 276 P HA 0.204 nan 4.420 nan 0.000 0.278 276 P C 0.412 177.649 177.300 -0.104 0.000 1.238 276 P CA -0.419 62.561 63.100 -0.199 0.000 0.794 276 P CB 0.913 32.180 31.700 -0.721 0.000 0.955 277 G N 0.682 109.501 108.800 0.031 0.000 3.141 277 G HA2 0.168 4.128 3.960 0.001 0.000 0.218 277 G HA3 0.168 4.128 3.960 0.001 0.000 0.218 277 G C -0.235 174.783 174.900 0.197 0.000 1.170 277 G CA 0.010 45.175 45.100 0.108 0.000 0.769 277 G HN 0.589 nan 8.290 nan 0.000 0.546 278 Y N -1.736 118.705 120.300 0.236 0.000 2.549 278 Y HA 0.808 5.358 4.550 0.001 0.000 0.339 278 Y C -0.085 176.057 175.900 0.404 0.000 1.053 278 Y CA -2.535 55.754 58.100 0.315 0.000 1.105 278 Y CB 1.180 39.899 38.460 0.432 0.000 1.258 278 Y HN -0.187 nan 8.280 nan 0.000 0.478 279 K N 3.571 124.299 120.400 0.547 0.000 2.298 279 K HA 0.286 4.606 4.320 0.001 0.000 0.280 279 K C -1.096 175.929 176.600 0.709 0.000 1.032 279 K CA -0.378 56.193 56.287 0.473 0.000 0.958 279 K CB 0.285 33.030 32.500 0.409 0.000 0.978 279 K HN 0.820 nan 8.250 nan 0.000 0.472 280 W N 2.034 123.532 121.300 0.330 0.000 3.038 280 W HA 0.589 5.250 4.660 0.001 0.000 0.347 280 W C -1.375 175.359 176.519 0.358 0.000 1.219 280 W CA -0.836 56.741 57.345 0.387 0.000 1.142 280 W CB 0.745 30.377 29.460 0.287 0.000 1.484 280 W HN 0.608 nan 8.180 nan 0.000 0.586 281 E N 1.148 121.679 120.200 0.552 0.000 2.278 281 E HA 0.394 4.744 4.350 0.001 0.000 0.272 281 E C -2.200 174.743 176.600 0.572 0.000 0.890 281 E CA -0.701 55.897 56.400 0.329 0.000 0.770 281 E CB 2.553 32.552 29.700 0.498 0.000 1.212 281 E HN 0.287 nan 8.360 nan 0.000 0.415 282 F N 3.068 123.152 119.950 0.223 0.000 2.408 282 F HA 0.447 4.974 4.527 0.001 0.000 0.344 282 F C -0.296 175.693 175.800 0.315 0.000 1.112 282 F CA -0.050 58.176 58.000 0.378 0.000 1.096 282 F CB 1.741 40.926 39.000 0.309 0.000 1.129 282 F HN 0.279 nan 8.300 nan 0.000 0.486 283 T N 6.631 120.998 114.554 -0.311 0.000 2.861 283 T HA 0.777 5.128 4.350 0.001 0.000 0.287 283 T C -1.109 173.354 174.700 -0.395 0.000 1.003 283 T CA -0.585 61.438 62.100 -0.128 0.000 0.977 283 T CB 0.778 69.860 68.868 0.357 0.000 0.996 283 T HN 0.969 nan 8.240 nan 0.000 0.448 284 R N 1.763 122.134 120.500 -0.215 0.000 2.690 284 R HA 0.689 5.030 4.340 0.001 0.000 0.269 284 R C -0.219 175.817 176.300 -0.440 0.000 1.037 284 R CA -1.167 54.780 56.100 -0.255 0.000 0.877 284 R CB 0.328 30.512 30.300 -0.194 0.000 1.255 284 R HN 0.761 nan 8.270 nan 0.000 0.467 285 G N 0.619 109.003 108.800 -0.693 0.000 2.572 285 G HA2 0.329 4.289 3.960 0.001 0.000 0.261 285 G HA3 0.329 4.289 3.960 0.001 0.000 0.261 285 G C 0.678 175.417 174.900 -0.269 0.000 1.197 285 G CA -1.024 43.713 45.100 -0.605 0.000 0.870 285 G HN 0.585 nan 8.290 nan 0.000 0.548 286 I N 0.679 121.132 120.570 -0.195 0.000 2.394 286 I HA -0.000 4.170 4.170 0.001 0.000 0.251 286 I C 1.943 178.001 176.117 -0.100 0.000 1.136 286 I CA 1.118 62.351 61.300 -0.111 0.000 1.425 286 I CB -0.285 37.668 38.000 -0.077 0.000 1.079 286 I HN 0.503 nan 8.210 nan 0.000 0.425 287 G N -0.398 108.329 108.800 -0.121 0.000 2.857 287 G HA2 0.349 4.309 3.960 0.001 0.000 0.217 287 G HA3 0.349 4.309 3.960 0.001 0.000 0.217 287 G C 0.237 175.060 174.900 -0.129 0.000 1.357 287 G CA -0.420 44.626 45.100 -0.090 0.000 1.033 287 G HN -0.021 nan 8.290 nan 0.000 0.571 288 L N 0.087 121.239 121.223 -0.119 0.000 2.034 288 L HA 0.263 4.604 4.340 0.001 0.000 0.203 288 L C 1.756 178.558 176.870 -0.114 0.000 1.074 288 L CA 1.511 56.264 54.840 -0.145 0.000 0.748 288 L CB -0.811 41.108 42.059 -0.233 0.000 0.905 288 L HN 0.447 nan 8.230 nan 0.000 0.439 289 S N -1.507 114.099 115.700 -0.157 0.000 2.579 289 S HA 0.099 4.569 4.470 0.001 0.000 0.275 289 S C 0.958 175.597 174.600 0.065 0.000 1.345 289 S CA -0.280 57.922 58.200 0.004 0.000 1.031 289 S CB 0.205 63.346 63.200 -0.097 0.000 0.892 289 S HN 0.245 nan 8.310 nan 0.000 0.529 290 F N 2.442 122.390 119.950 -0.003 0.000 2.243 290 F HA 0.304 4.831 4.527 0.001 0.000 0.287 290 F C 1.896 177.617 175.800 -0.131 0.000 1.067 290 F CA 0.705 58.567 58.000 -0.230 0.000 1.304 290 F CB -0.943 37.653 39.000 -0.674 0.000 1.087 290 F HN 0.684 nan 8.300 nan 0.000 0.513 291 G N -1.421 107.450 108.800 0.118 0.000 2.507 291 G HA2 0.151 4.111 3.960 0.001 0.000 0.271 291 G HA3 0.151 4.111 3.960 0.001 0.000 0.271 291 G C -1.323 173.709 174.900 0.220 0.000 1.189 291 G CA -0.341 44.895 45.100 0.226 0.000 0.859 291 G HN 0.113 nan 8.290 nan 0.000 0.542 292 Y N 1.547 121.945 120.300 0.164 0.000 2.620 292 Y HA 0.184 4.734 4.550 0.001 0.000 0.330 292 Y C 0.051 175.997 175.900 0.077 0.000 1.186 292 Y CA -0.414 57.744 58.100 0.096 0.000 1.467 292 Y CB 0.616 39.142 38.460 0.111 0.000 1.262 292 Y HN 0.430 nan 8.280 nan 0.000 0.550 293 N N 5.628 123.940 118.700 -0.647 0.000 2.491 293 N HA 0.269 5.009 4.740 0.001 0.000 0.274 293 N C 0.332 175.334 175.510 -0.847 0.000 1.023 293 N CA -0.536 52.130 53.050 -0.640 0.000 0.902 293 N CB 0.855 39.113 38.487 -0.383 0.000 1.267 293 N HN 0.812 nan 8.380 nan 0.000 0.503 294 R N 1.752 121.789 120.500 -0.771 0.000 2.105 294 R HA -0.067 4.273 4.340 0.001 0.000 0.239 294 R C 0.265 176.432 176.300 -0.221 0.000 1.135 294 R CA 1.067 56.949 56.100 -0.364 0.000 0.967 294 R CB -0.063 30.209 30.300 -0.048 0.000 0.861 294 R HN 0.411 nan 8.270 nan 0.000 0.442 295 N N 1.414 119.904 118.700 -0.349 0.000 3.091 295 N HA -0.002 4.739 4.740 0.001 0.000 0.301 295 N C -1.385 173.939 175.510 -0.310 0.000 1.325 295 N CA 0.316 53.162 53.050 -0.339 0.000 1.143 295 N CB 0.155 38.248 38.487 -0.657 0.000 1.450 295 N HN 0.139 nan 8.380 nan 0.000 0.542 296 E N -0.663 119.429 120.200 -0.180 0.000 2.551 296 E HA 0.301 4.651 4.350 0.001 0.000 0.321 296 E C -0.428 176.218 176.600 0.076 0.000 0.975 296 E CA -0.557 55.800 56.400 -0.072 0.000 0.784 296 E CB 0.605 30.183 29.700 -0.204 0.000 1.493 296 E HN 0.410 nan 8.360 nan 0.000 0.385 297 G N 2.312 111.206 108.800 0.157 0.000 2.543 297 G HA2 0.266 4.226 3.960 0.001 0.000 0.290 297 G HA3 0.266 4.226 3.960 0.001 0.000 0.290 297 G C -1.498 173.407 174.900 0.010 0.000 1.310 297 G CA -0.932 44.201 45.100 0.055 0.000 1.025 297 G HN 0.334 nan 8.290 nan 0.000 0.502 298 P HA -0.063 nan 4.420 nan 0.000 0.231 298 P C 1.011 178.238 177.300 -0.122 0.000 1.158 298 P CA 1.013 64.079 63.100 -0.056 0.000 0.763 298 P CB 0.070 31.743 31.700 -0.045 0.000 0.805 299 E N -0.711 119.348 120.200 -0.234 0.000 2.347 299 E HA -0.164 4.187 4.350 0.001 0.000 0.196 299 E C 1.175 177.514 176.600 -0.436 0.000 1.008 299 E CA 0.853 57.040 56.400 -0.355 0.000 0.852 299 E CB -0.814 28.613 29.700 -0.454 0.000 0.783 299 E HN 0.434 nan 8.360 nan 0.000 0.505 300 H N -0.026 119.001 119.070 -0.070 0.000 2.549 300 H HA 0.266 4.823 4.556 0.001 0.000 0.279 300 H C 0.137 175.414 175.328 -0.084 0.000 1.018 300 H CA 0.041 56.038 56.048 -0.085 0.000 1.175 300 H CB 0.192 29.888 29.762 -0.110 0.000 1.485 300 H HN 0.180 nan 8.280 nan 0.000 0.543 301 M N 1.312 120.902 119.600 -0.015 0.000 2.508 301 M HA 0.325 4.805 4.480 0.001 0.000 0.327 301 M C -0.037 176.230 176.300 -0.054 0.000 1.160 301 M CA -0.752 54.528 55.300 -0.032 0.000 0.980 301 M CB 2.514 35.096 32.600 -0.030 0.000 1.693 301 M HN -0.058 nan 8.290 nan 0.000 0.452 302 L N 1.712 122.898 121.223 -0.061 0.000 2.371 302 L HA 0.331 4.671 4.340 0.001 0.000 0.272 302 L C 1.098 177.913 176.870 -0.092 0.000 1.124 302 L CA -0.494 54.299 54.840 -0.077 0.000 0.816 302 L CB 0.864 42.875 42.059 -0.080 0.000 1.129 302 L HN 0.893 nan 8.230 nan 0.000 0.448 303 S N 1.665 117.299 115.700 -0.109 0.000 2.617 303 S HA 0.151 4.621 4.470 0.001 0.000 0.259 303 S C 1.165 175.667 174.600 -0.163 0.000 1.301 303 S CA -0.805 57.321 58.200 -0.122 0.000 0.984 303 S CB 1.222 64.345 63.200 -0.128 0.000 0.954 303 S HN 0.339 nan 8.310 nan 0.000 0.572 304 V N 1.039 120.856 119.914 -0.161 0.000 2.407 304 V HA -0.147 3.974 4.120 0.001 0.000 0.248 304 V C 2.809 178.705 176.094 -0.329 0.000 1.055 304 V CA 2.295 64.477 62.300 -0.197 0.000 1.049 304 V CB -1.228 30.513 31.823 -0.136 0.000 0.662 304 V HN 0.956 nan 8.190 nan 0.000 0.455 305 E N -0.219 119.754 120.200 -0.377 0.000 2.038 305 E HA -0.288 4.062 4.350 0.001 0.000 0.195 305 E C 2.351 178.434 176.600 -0.862 0.000 1.000 305 E CA 1.680 57.677 56.400 -0.672 0.000 0.803 305 E CB -0.095 29.260 29.700 -0.576 0.000 0.750 305 E HN 0.672 nan 8.360 nan 0.000 0.448 306 Q N -0.042 119.463 119.800 -0.492 0.000 2.226 306 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 306 Q C 2.312 178.164 176.000 -0.247 0.000 0.975 306 Q CA 0.848 56.473 55.803 -0.296 0.000 0.866 306 Q CB 0.025 28.673 28.738 -0.151 0.000 0.915 306 Q HN 0.344 nan 8.270 nan 0.000 0.440 307 L N -0.529 120.522 121.223 -0.287 0.000 2.072 307 L HA -0.133 4.208 4.340 0.001 0.000 0.205 307 L C 2.247 178.897 176.870 -0.368 0.000 1.079 307 L CA 0.548 55.230 54.840 -0.264 0.000 0.752 307 L CB -0.211 41.703 42.059 -0.242 0.000 0.906 307 L HN 0.075 nan 8.230 nan 0.000 0.436 308 V N -1.037 118.566 119.914 -0.519 0.000 2.358 308 V HA -0.296 3.825 4.120 0.001 0.000 0.246 308 V C 2.332 178.145 176.094 -0.469 0.000 1.047 308 V CA 1.564 63.424 62.300 -0.733 0.000 1.035 308 V CB -0.611 30.542 31.823 -1.118 0.000 0.658 308 V HN 0.322 nan 8.190 nan 0.000 0.452 309 Y N 0.836 120.889 120.300 -0.412 0.000 2.242 309 Y HA -0.154 4.396 4.550 0.001 0.000 0.291 309 Y C 2.800 178.550 175.900 -0.251 0.000 1.137 309 Y CA 1.313 59.232 58.100 -0.302 0.000 1.181 309 Y CB -1.599 36.731 38.460 -0.218 0.000 0.989 309 Y HN 0.266 nan 8.280 nan 0.000 0.527 310 T N 0.847 115.358 114.554 -0.073 0.000 2.812 310 T HA -0.128 4.223 4.350 0.001 0.000 0.264 310 T C 2.221 176.846 174.700 -0.125 0.000 1.042 310 T CA 0.867 62.912 62.100 -0.090 0.000 1.140 310 T CB -0.579 68.261 68.868 -0.046 0.000 0.870 310 T HN 0.239 nan 8.240 nan 0.000 0.445 311 L N 1.196 122.301 121.223 -0.197 0.000 2.017 311 L HA -0.114 4.227 4.340 0.001 0.000 0.208 311 L C 2.484 179.239 176.870 -0.192 0.000 1.073 311 L CA 1.539 56.244 54.840 -0.226 0.000 0.745 311 L CB -0.457 41.378 42.059 -0.372 0.000 0.894 311 L HN 0.133 nan 8.230 nan 0.000 0.432 312 V N 0.278 120.063 119.914 -0.215 0.000 2.343 312 V HA -0.329 3.791 4.120 0.001 0.000 0.247 312 V C 2.219 178.242 176.094 -0.118 0.000 1.051 312 V CA 2.210 64.415 62.300 -0.158 0.000 1.036 312 V CB -0.572 31.148 31.823 -0.171 0.000 0.654 312 V HN 0.582 nan 8.190 nan 0.000 0.451 313 D N -0.241 120.089 120.400 -0.118 0.000 2.097 313 D HA -0.155 4.485 4.640 0.001 0.000 0.195 313 D C 2.048 178.324 176.300 -0.040 0.000 0.989 313 D CA 1.557 55.505 54.000 -0.087 0.000 0.827 313 D CB -0.094 40.645 40.800 -0.103 0.000 0.966 313 D HN 0.171 nan 8.370 nan 0.000 0.456 314 V N -0.129 119.742 119.914 -0.072 0.000 2.295 314 V HA -0.210 3.910 4.120 0.001 0.000 0.246 314 V C 2.568 178.583 176.094 -0.132 0.000 1.049 314 V CA 1.409 63.659 62.300 -0.083 0.000 1.024 314 V CB -0.327 31.409 31.823 -0.146 0.000 0.648 314 V HN 0.193 nan 8.190 nan 0.000 0.447 315 V N 0.834 120.672 119.914 -0.128 0.000 2.515 315 V HA -0.186 3.934 4.120 0.001 0.000 0.250 315 V C 2.619 178.693 176.094 -0.033 0.000 1.058 315 V CA 2.033 64.264 62.300 -0.115 0.000 1.064 315 V CB -0.613 31.145 31.823 -0.109 0.000 0.675 315 V HN 0.779 nan 8.190 nan 0.000 0.461 316 S N -0.095 115.607 115.700 0.003 0.000 2.447 316 S HA -0.135 4.336 4.470 0.001 0.000 0.233 316 S C 1.664 176.337 174.600 0.122 0.000 1.006 316 S CA 0.971 59.213 58.200 0.071 0.000 0.957 316 S CB -0.313 62.918 63.200 0.052 0.000 0.773 316 S HN 0.643 nan 8.310 nan 0.000 0.507 317 K N 0.502 120.989 120.400 0.145 0.000 2.387 317 K HA 0.354 4.674 4.320 0.001 0.000 0.198 317 K C 0.979 177.796 176.600 0.362 0.000 1.022 317 K CA 0.344 56.789 56.287 0.265 0.000 1.128 317 K CB 0.334 33.072 32.500 0.396 0.000 0.853 317 K HN 0.493 nan 8.250 nan 0.000 0.523 318 G N 0.735 109.619 108.800 0.139 0.000 2.131 318 G HA2 -0.196 3.764 3.960 0.001 0.000 0.223 318 G HA3 -0.196 3.764 3.960 0.001 0.000 0.223 318 G C 0.199 174.923 174.900 -0.293 0.000 0.990 318 G CA -0.297 44.829 45.100 0.044 0.000 0.671 318 G HN 0.464 nan 8.290 nan 0.000 0.521 319 G N -0.681 107.697 108.800 -0.703 0.000 2.489 319 G HA2 0.610 4.570 3.960 0.001 0.000 0.327 319 G HA3 0.610 4.570 3.960 0.001 0.000 0.327 319 G C -0.399 174.137 174.900 -0.607 0.000 1.189 319 G CA -0.676 43.698 45.100 -1.209 0.000 0.962 319 G HN 0.218 nan 8.290 nan 0.000 0.486 320 N N -0.923 117.483 118.700 -0.490 0.000 2.495 320 N HA 0.436 5.176 4.740 0.001 0.000 0.280 320 N C -0.794 174.634 175.510 -0.136 0.000 1.168 320 N CA -0.594 52.291 53.050 -0.273 0.000 0.978 320 N CB 1.996 40.291 38.487 -0.320 0.000 1.191 320 N HN 0.343 nan 8.380 nan 0.000 0.497 321 L N 1.099 122.332 121.223 0.017 0.000 2.282 321 L HA 0.448 4.789 4.340 0.001 0.000 0.288 321 L C -0.894 176.061 176.870 0.142 0.000 1.033 321 L CA -0.193 54.734 54.840 0.144 0.000 0.807 321 L CB 0.558 42.711 42.059 0.157 0.000 1.209 321 L HN 0.394 nan 8.230 nan 0.000 0.423 322 L N 6.426 127.701 121.223 0.087 0.000 2.297 322 L HA 0.369 4.709 4.340 0.001 0.000 0.277 322 L C -1.077 175.796 176.870 0.004 0.000 1.040 322 L CA -0.795 54.001 54.840 -0.073 0.000 0.867 322 L CB 1.266 43.248 42.059 -0.130 0.000 1.244 322 L HN 0.588 nan 8.230 nan 0.000 0.433 323 L N 4.932 126.168 121.223 0.021 0.000 2.265 323 L HA 0.336 4.676 4.340 0.001 0.000 0.288 323 L C -0.036 176.821 176.870 -0.023 0.000 1.058 323 L CA 0.098 54.971 54.840 0.055 0.000 0.809 323 L CB 1.228 43.425 42.059 0.230 0.000 1.179 323 L HN 0.529 nan 8.230 nan 0.000 0.429 324 N N 3.435 122.097 118.700 -0.063 0.000 2.499 324 N HA 0.467 5.208 4.740 0.001 0.000 0.281 324 N C -1.379 174.044 175.510 -0.145 0.000 1.098 324 N CA -0.385 52.617 53.050 -0.080 0.000 0.979 324 N CB 1.148 39.460 38.487 -0.293 0.000 1.121 324 N HN 0.405 nan 8.380 nan 0.000 0.466 325 V N 1.858 121.702 119.914 -0.116 0.000 2.448 325 V HA 0.621 4.742 4.120 0.001 0.000 0.295 325 V C 0.497 176.540 176.094 -0.086 0.000 1.025 325 V CA -0.822 61.401 62.300 -0.129 0.000 0.859 325 V CB 1.530 33.241 31.823 -0.187 0.000 0.988 325 V HN 0.838 nan 8.190 nan 0.000 0.431 326 G N 5.996 114.774 108.800 -0.036 0.000 2.716 326 G HA2 0.654 4.614 3.960 0.001 0.000 0.333 326 G HA3 0.654 4.614 3.960 0.001 0.000 0.333 326 G C -2.919 172.008 174.900 0.045 0.000 1.168 326 G CA -1.303 43.844 45.100 0.077 0.000 1.064 326 G HN 0.501 nan 8.290 nan 0.000 0.479 327 P HA 0.260 nan 4.420 nan 0.000 0.276 327 P C 0.080 177.377 177.300 -0.004 0.000 1.252 327 P CA -0.551 62.452 63.100 -0.162 0.000 0.802 327 P CB 1.339 32.771 31.700 -0.446 0.000 1.035 328 K N 0.203 120.525 120.400 -0.130 0.000 2.120 328 K HA 0.241 4.561 4.320 0.001 0.000 0.245 328 K C 1.840 178.626 176.600 0.310 0.000 1.024 328 K CA -0.133 56.098 56.287 -0.094 0.000 0.906 328 K CB -0.130 32.224 32.500 -0.244 0.000 1.051 328 K HN 0.529 nan 8.250 nan 0.000 0.491 329 G N 1.319 110.295 108.800 0.294 0.000 2.462 329 G HA2 -0.260 3.700 3.960 0.001 0.000 0.220 329 G HA3 -0.260 3.700 3.960 0.001 0.000 0.220 329 G C 0.951 176.144 174.900 0.488 0.000 1.121 329 G CA 1.123 46.462 45.100 0.398 0.000 0.758 329 G HN 0.827 nan 8.290 nan 0.000 0.559 330 D N -0.597 119.999 120.400 0.326 0.000 2.349 330 D HA 0.188 4.828 4.640 0.001 0.000 0.224 330 D C 1.689 178.180 176.300 0.319 0.000 1.029 330 D CA 0.902 55.061 54.000 0.265 0.000 0.879 330 D CB -0.435 40.464 40.800 0.164 0.000 0.906 330 D HN 0.544 nan 8.370 nan 0.000 0.528 331 G N 0.029 109.074 108.800 0.408 0.000 2.179 331 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 331 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 331 G C 0.393 175.527 174.900 0.390 0.000 0.990 331 G CA 0.284 45.589 45.100 0.342 0.000 0.646 331 G HN 0.749 nan 8.290 nan 0.000 0.517 332 T N -0.626 114.078 114.554 0.251 0.000 2.909 332 T HA 0.732 5.083 4.350 0.001 0.000 0.286 332 T C 0.276 175.018 174.700 0.071 0.000 1.002 332 T CA -0.699 61.521 62.100 0.201 0.000 1.074 332 T CB 2.287 71.211 68.868 0.093 0.000 0.984 332 T HN 0.415 nan 8.240 nan 0.000 0.495 333 I N 3.377 123.960 120.570 0.021 0.000 2.315 333 I HA 0.318 4.488 4.170 0.001 0.000 0.291 333 I C -2.047 174.023 176.117 -0.079 0.000 1.006 333 I CA -2.545 58.685 61.300 -0.117 0.000 1.265 333 I CB 1.240 39.116 38.000 -0.206 0.000 1.387 333 I HN 0.484 nan 8.210 nan 0.000 0.475 334 P HA 0.010 nan 4.420 nan 0.000 0.264 334 P C 0.058 177.345 177.300 -0.022 0.000 1.183 334 P CA -0.020 63.048 63.100 -0.053 0.000 0.763 334 P CB 0.537 32.221 31.700 -0.027 0.000 0.807 335 D N 1.559 121.955 120.400 -0.007 0.000 2.170 335 D HA -0.187 4.453 4.640 0.001 0.000 0.193 335 D C 1.842 178.141 176.300 -0.001 0.000 1.004 335 D CA 1.390 55.389 54.000 -0.002 0.000 0.860 335 D CB -0.368 40.435 40.800 0.005 0.000 0.931 335 D HN 0.352 nan 8.370 nan 0.000 0.448 336 L N 0.205 121.431 121.223 0.006 0.000 1.989 336 L HA -0.193 4.148 4.340 0.001 0.000 0.211 336 L C 1.531 178.399 176.870 -0.005 0.000 1.071 336 L CA 1.268 56.110 54.840 0.003 0.000 0.749 336 L CB -0.578 41.489 42.059 0.014 0.000 0.890 336 L HN 0.144 nan 8.230 nan 0.000 0.431 340 R N 1.136 121.632 120.500 -0.007 0.000 2.096 340 R HA 0.053 4.393 4.340 0.001 0.000 0.235 340 R C 2.508 178.809 176.300 0.001 0.000 1.127 340 R CA 1.503 57.590 56.100 -0.020 0.000 0.968 340 R CB -0.130 30.149 30.300 -0.036 0.000 0.861 340 R HN 0.192 nan 8.270 nan 0.000 0.440 341 L N 0.161 121.407 121.223 0.038 0.000 2.017 341 L HA -0.199 4.141 4.340 0.001 0.000 0.208 341 L C 2.168 179.097 176.870 0.098 0.000 1.073 341 L CA 1.292 56.189 54.840 0.096 0.000 0.745 341 L CB -0.406 41.733 42.059 0.133 0.000 0.894 341 L HN 0.186 nan 8.230 nan 0.000 0.432 342 L N -0.671 120.594 121.223 0.070 0.000 2.156 342 L HA -0.073 4.267 4.340 0.001 0.000 0.208 342 L C 2.652 179.561 176.870 0.065 0.000 1.095 342 L CA 1.120 56.001 54.840 0.068 0.000 0.770 342 L CB -0.990 41.096 42.059 0.045 0.000 0.914 342 L HN 0.281 nan 8.230 nan 0.000 0.439 343 G N -0.019 108.806 108.800 0.041 0.000 2.418 343 G HA2 -0.247 3.713 3.960 0.001 0.000 0.217 343 G HA3 -0.247 3.713 3.960 0.001 0.000 0.217 343 G C 1.653 176.589 174.900 0.060 0.000 1.158 343 G CA 0.543 45.666 45.100 0.037 0.000 0.771 343 G HN 0.242 nan 8.290 nan 0.000 0.545 344 L N 0.628 121.865 121.223 0.024 0.000 2.012 344 L HA -0.016 4.325 4.340 0.001 0.000 0.210 344 L C 2.975 179.926 176.870 0.136 0.000 1.073 344 L CA 1.585 56.427 54.840 0.003 0.000 0.748 344 L CB -0.487 41.508 42.059 -0.105 0.000 0.891 344 L HN 0.310 nan 8.230 nan 0.000 0.431 345 G N -1.162 107.725 108.800 0.146 0.000 2.432 345 G HA2 -0.323 3.637 3.960 0.001 0.000 0.219 345 G HA3 -0.323 3.637 3.960 0.001 0.000 0.219 345 G C 1.381 176.381 174.900 0.167 0.000 1.135 345 G CA 0.863 46.072 45.100 0.183 0.000 0.767 345 G HN 0.396 nan 8.290 nan 0.000 0.550 346 E N -0.115 120.174 120.200 0.148 0.000 2.072 346 E HA -0.118 4.233 4.350 0.001 0.000 0.190 346 E C 1.986 178.676 176.600 0.150 0.000 0.982 346 E CA 0.875 57.346 56.400 0.119 0.000 0.803 346 E CB -0.559 29.200 29.700 0.099 0.000 0.755 346 E HN 0.543 nan 8.360 nan 0.000 0.453 347 W N 0.390 121.716 121.300 0.044 0.000 2.363 347 W HA -0.076 4.584 4.660 0.001 0.000 0.296 347 W C 1.610 178.193 176.519 0.107 0.000 1.212 347 W CA 1.476 58.884 57.345 0.106 0.000 1.260 347 W CB -0.092 29.409 29.460 0.069 0.000 1.131 347 W HN 0.114 nan 8.180 nan 0.000 0.530 348 L N 0.205 121.602 121.223 0.289 0.000 2.313 348 L HA -0.039 4.302 4.340 0.001 0.000 0.214 348 L C 2.719 179.626 176.870 0.062 0.000 1.119 348 L CA 0.822 55.744 54.840 0.136 0.000 0.809 348 L CB -0.689 41.521 42.059 0.252 0.000 0.933 348 L HN -0.067 nan 8.230 nan 0.000 0.449 349 R N 0.344 120.879 120.500 0.058 0.000 2.115 349 R HA -0.163 4.177 4.340 0.001 0.000 0.230 349 R C 2.145 178.388 176.300 -0.095 0.000 1.111 349 R CA 1.323 57.436 56.100 0.022 0.000 0.976 349 R CB 0.139 30.452 30.300 0.022 0.000 0.870 349 R HN 0.272 nan 8.270 nan 0.000 0.445 350 K N -0.919 119.333 120.400 -0.245 0.000 2.063 350 K HA -0.060 4.261 4.320 0.001 0.000 0.204 350 K C 0.850 177.099 176.600 -0.585 0.000 1.039 350 K CA 0.969 56.963 56.287 -0.489 0.000 0.957 350 K CB 0.172 32.226 32.500 -0.744 0.000 0.764 350 K HN 0.141 nan 8.250 nan 0.000 0.447 351 Y N -0.188 119.792 120.300 -0.532 0.000 2.571 351 Y HA 0.192 4.743 4.550 0.001 0.000 0.275 351 Y C 1.610 177.156 175.900 -0.591 0.000 1.179 351 Y CA -0.211 57.489 58.100 -0.666 0.000 1.242 351 Y CB 0.242 37.838 38.460 -1.440 0.000 1.126 351 Y HN 0.165 nan 8.280 nan 0.000 0.524 352 G N -0.176 108.490 108.800 -0.222 0.000 2.448 352 G HA2 -0.285 3.675 3.960 0.001 0.000 0.219 352 G HA3 -0.285 3.675 3.960 0.001 0.000 0.219 352 G C 1.403 176.251 174.900 -0.086 0.000 1.127 352 G CA 1.123 46.137 45.100 -0.142 0.000 0.766 352 G HN 0.300 nan 8.290 nan 0.000 0.552 353 D N 0.556 120.944 120.400 -0.020 0.000 2.312 353 D HA 0.121 4.761 4.640 0.001 0.000 0.211 353 D C 2.384 178.415 176.300 -0.448 0.000 0.964 353 D CA 0.803 54.801 54.000 -0.004 0.000 0.877 353 D CB -0.121 40.813 40.800 0.223 0.000 0.924 353 D HN 0.252 nan 8.370 nan 0.000 0.515 354 A N -0.436 121.845 122.820 -0.899 0.000 2.307 354 A HA 0.173 4.494 4.320 0.001 0.000 0.218 354 A C 1.466 178.597 177.584 -0.755 0.000 1.228 354 A CA 0.088 51.169 52.037 -1.593 0.000 0.857 354 A CB 0.070 18.081 19.000 -1.649 0.000 0.897 354 A HN 0.182 nan 8.150 nan 0.000 0.495 355 I N -2.512 117.774 120.570 -0.474 0.000 3.664 355 I HA 0.162 4.332 4.170 0.001 0.000 0.251 355 I C -0.110 175.883 176.117 -0.206 0.000 1.134 355 I CA -0.039 61.059 61.300 -0.337 0.000 1.520 355 I CB -1.377 36.367 38.000 -0.425 0.000 1.638 355 I HN 0.190 nan 8.210 nan 0.000 0.431 356 Y N 2.778 123.055 120.300 -0.039 0.000 2.717 356 Y HA 0.341 4.891 4.550 0.001 0.000 0.330 356 Y C 1.658 177.563 175.900 0.009 0.000 1.217 356 Y CA 0.822 58.926 58.100 0.007 0.000 1.506 356 Y CB -0.618 37.862 38.460 0.032 0.000 1.268 356 Y HN 0.517 nan 8.280 nan 0.000 0.561 357 G N 1.683 110.595 108.800 0.187 0.000 2.153 357 G HA2 -0.293 3.667 3.960 0.001 0.000 0.252 357 G HA3 -0.293 3.667 3.960 0.001 0.000 0.252 357 G C 0.269 175.234 174.900 0.108 0.000 0.994 357 G CA 0.349 45.528 45.100 0.132 0.000 0.698 357 G HN 0.945 nan 8.290 nan 0.000 0.521 358 T N -2.044 112.560 114.554 0.084 0.000 2.862 358 T HA 0.789 5.139 4.350 0.001 0.000 0.276 358 T C 0.444 175.196 174.700 0.087 0.000 0.974 358 T CA 0.307 62.466 62.100 0.099 0.000 0.966 358 T CB 2.149 71.062 68.868 0.075 0.000 1.072 358 T HN 0.526 nan 8.240 nan 0.000 0.538 359 S N -0.430 115.338 115.700 0.113 0.000 2.745 359 S HA 0.685 5.155 4.470 0.001 0.000 0.306 359 S C 0.126 174.806 174.600 0.135 0.000 1.137 359 S CA -0.738 57.525 58.200 0.105 0.000 0.900 359 S CB 1.336 64.600 63.200 0.107 0.000 1.176 359 S HN 1.060 nan 8.310 nan 0.000 0.520 360 V N 0.022 120.015 119.914 0.132 0.000 2.811 360 V HA 0.435 4.555 4.120 0.001 0.000 0.302 360 V C -0.089 176.148 176.094 0.238 0.000 1.063 360 V CA -0.441 61.960 62.300 0.168 0.000 1.088 360 V CB 0.112 32.010 31.823 0.125 0.000 0.982 360 V HN 0.847 nan 8.190 nan 0.000 0.485 361 W N 2.224 123.553 121.300 0.047 0.000 2.154 361 W HA 0.452 5.113 4.660 0.001 0.000 0.486 361 W C 1.523 178.021 176.519 -0.034 0.000 1.940 361 W CA -0.376 56.964 57.345 -0.007 0.000 2.166 361 W CB 1.083 30.518 29.460 -0.041 0.000 1.738 361 W HN 0.731 nan 8.180 nan 0.000 0.741 362 E N 0.227 119.940 120.200 -0.812 0.000 2.265 362 E HA -0.113 4.237 4.350 0.001 0.000 0.196 362 E C 0.123 176.445 176.600 -0.464 0.000 0.996 362 E CA 1.222 57.196 56.400 -0.710 0.000 0.832 362 E CB 0.009 29.088 29.700 -1.034 0.000 0.756 362 E HN 0.294 nan 8.360 nan 0.000 0.491 363 R N -1.909 118.355 120.500 -0.393 0.000 2.710 363 R HA 0.314 4.655 4.340 0.001 0.000 0.270 363 R C 0.852 177.272 176.300 0.200 0.000 1.021 363 R CA -0.083 55.953 56.100 -0.106 0.000 0.889 363 R CB 0.212 30.413 30.300 -0.167 0.000 1.243 363 R HN 0.082 nan 8.270 nan 0.000 0.464 364 C N -1.190 118.237 119.300 0.212 0.000 2.505 364 C HA 0.419 4.880 4.460 0.001 0.000 0.279 364 C C 0.660 175.867 174.990 0.363 0.000 1.316 364 C CA 0.194 59.375 59.018 0.271 0.000 1.720 364 C CB -0.704 27.120 27.740 0.140 0.000 2.050 364 C HN 0.633 nan 8.230 nan 0.000 0.493 365 C N 0.558 120.049 119.300 0.319 0.000 3.080 365 C HA 0.942 5.402 4.460 0.001 0.000 0.307 365 C C 0.270 175.390 174.990 0.216 0.000 1.311 365 C CA 0.273 59.382 59.018 0.152 0.000 1.533 365 C CB 1.031 28.794 27.740 0.038 0.000 1.970 365 C HN 0.967 nan 8.230 nan 0.000 0.467 366 A N 1.118 123.950 122.820 0.021 0.000 2.493 366 A HA 0.991 5.311 4.320 0.001 0.000 0.300 366 A C -1.917 175.614 177.584 -0.088 0.000 1.152 366 A CA -0.716 51.337 52.037 0.026 0.000 0.643 366 A CB 1.357 20.429 19.000 0.121 0.000 1.316 366 A HN 1.015 nan 8.150 nan 0.000 0.469 367 K N -0.790 119.576 120.400 -0.058 0.000 2.551 367 K HA 0.695 5.015 4.320 0.001 0.000 0.269 367 K C -0.354 176.233 176.600 -0.022 0.000 0.949 367 K CA -0.167 56.077 56.287 -0.071 0.000 0.849 367 K CB 1.450 33.921 32.500 -0.048 0.000 1.411 367 K HN 0.958 nan 8.250 nan 0.000 0.432 368 T N -2.485 112.073 114.554 0.006 0.000 2.816 368 T HA 0.111 4.461 4.350 0.001 0.000 0.282 368 T C 0.964 175.689 174.700 0.041 0.000 0.993 368 T CA -0.308 61.828 62.100 0.060 0.000 0.994 368 T CB 1.260 70.204 68.868 0.127 0.000 1.025 368 T HN 0.840 nan 8.240 nan 0.000 0.529 369 E N 0.031 120.261 120.200 0.049 0.000 2.110 369 E HA -0.235 4.115 4.350 0.001 0.000 0.193 369 E C 1.730 178.348 176.600 0.029 0.000 0.988 369 E CA 1.363 57.784 56.400 0.035 0.000 0.804 369 E CB -0.171 29.552 29.700 0.038 0.000 0.745 369 E HN 0.854 nan 8.360 nan 0.000 0.458 370 D N -0.610 119.811 120.400 0.035 0.000 2.123 370 D HA -0.179 4.462 4.640 0.001 0.000 0.196 370 D C 1.267 177.578 176.300 0.019 0.000 0.992 370 D CA 2.020 56.036 54.000 0.028 0.000 0.833 370 D CB 0.064 40.885 40.800 0.035 0.000 0.954 370 D HN 0.388 nan 8.370 nan 0.000 0.455 371 G N -0.589 108.222 108.800 0.018 0.000 2.198 371 G HA2 -0.161 3.800 3.960 0.001 0.000 0.156 371 G HA3 -0.161 3.800 3.960 0.001 0.000 0.156 371 G C 0.133 175.025 174.900 -0.015 0.000 1.012 371 G CA 0.226 45.325 45.100 -0.000 0.000 0.692 371 G HN 0.366 nan 8.290 nan 0.000 0.492 372 T N 2.842 117.399 114.554 0.005 0.000 2.779 372 T HA 0.424 4.774 4.350 0.001 0.000 0.296 372 T C 0.398 175.056 174.700 -0.070 0.000 0.938 372 T CA -0.096 61.999 62.100 -0.009 0.000 1.119 372 T CB 1.344 70.267 68.868 0.092 0.000 0.891 372 T HN 0.248 nan 8.240 nan 0.000 0.526 373 E N 2.566 122.675 120.200 -0.150 0.000 2.404 373 E HA 0.293 4.644 4.350 0.001 0.000 0.261 373 E C -0.017 176.402 176.600 -0.303 0.000 1.074 373 E CA 0.123 56.398 56.400 -0.208 0.000 0.917 373 E CB 0.969 30.530 29.700 -0.232 0.000 0.965 373 E HN 0.523 nan 8.360 nan 0.000 0.433 374 I N 1.764 122.111 120.570 -0.372 0.000 2.686 374 I HA 0.344 4.514 4.170 0.001 0.000 0.295 374 I C -0.152 175.628 176.117 -0.562 0.000 1.114 374 I CA -0.850 60.093 61.300 -0.595 0.000 1.038 374 I CB 1.787 39.294 38.000 -0.821 0.000 1.238 374 I HN 0.088 nan 8.210 nan 0.000 0.420 375 R N 3.977 124.100 120.500 -0.629 0.000 2.795 375 R HA 0.658 4.998 4.340 0.001 0.000 0.275 375 R C -1.650 174.287 176.300 -0.605 0.000 0.981 375 R CA -0.901 54.913 56.100 -0.478 0.000 0.917 375 R CB 2.103 32.259 30.300 -0.241 0.000 1.202 375 R HN 0.330 nan 8.270 nan 0.000 0.469 376 F N -0.241 119.708 119.950 -0.002 0.000 2.532 376 F HA 0.553 5.081 4.527 0.001 0.000 0.321 376 F C 0.841 176.679 175.800 0.063 0.000 1.089 376 F CA -0.414 57.595 58.000 0.016 0.000 0.926 376 F CB 2.282 41.381 39.000 0.165 0.000 1.168 376 F HN 0.527 nan 8.300 nan 0.000 0.459 377 T N -0.386 114.317 114.554 0.249 0.000 2.804 377 T HA 0.705 5.056 4.350 0.001 0.000 0.290 377 T C -1.205 173.645 174.700 0.249 0.000 1.099 377 T CA -1.080 61.160 62.100 0.233 0.000 1.011 377 T CB 2.495 71.449 68.868 0.143 0.000 1.291 377 T HN 0.679 nan 8.240 nan 0.000 0.523 378 R N 0.437 121.090 120.500 0.256 0.000 2.508 378 R HA 0.467 4.808 4.340 0.001 0.000 0.283 378 R C -1.900 174.528 176.300 0.213 0.000 1.120 378 R CA -0.619 55.584 56.100 0.173 0.000 0.958 378 R CB 1.855 32.260 30.300 0.176 0.000 1.215 378 R HN 0.779 nan 8.270 nan 0.000 0.427 379 K N 3.868 124.391 120.400 0.205 0.000 2.521 379 K HA 0.346 4.667 4.320 0.001 0.000 0.248 379 K C -0.079 176.574 176.600 0.088 0.000 0.978 379 K CA -0.235 56.167 56.287 0.192 0.000 0.947 379 K CB 0.399 33.092 32.500 0.322 0.000 1.165 379 K HN 0.840 nan 8.250 nan 0.000 0.445 380 C N 1.046 120.393 119.300 0.078 0.000 0.178 380 C HA -0.323 4.137 4.460 0.001 0.000 0.017 380 C C 1.757 176.763 174.990 0.027 0.000 0.173 380 C CA 0.859 59.909 59.018 0.052 0.000 0.499 380 C CB -1.557 26.211 27.740 0.047 0.000 3.212 380 C HN 1.021 nan 8.230 nan 0.000 1.118 381 N N 2.644 121.346 118.700 0.003 0.000 2.463 381 N HA -0.008 4.733 4.740 0.001 0.000 0.181 381 N C 0.344 175.799 175.510 -0.091 0.000 1.078 381 N CA 0.775 53.814 53.050 -0.019 0.000 0.902 381 N CB -0.369 38.114 38.487 -0.007 0.000 0.970 381 N HN 0.776 nan 8.380 nan 0.000 0.451 382 R N 0.434 120.849 120.500 -0.143 0.000 2.539 382 R HA 0.484 4.824 4.340 0.001 0.000 0.275 382 R C -0.322 175.702 176.300 -0.459 0.000 1.077 382 R CA -0.089 55.819 56.100 -0.321 0.000 1.097 382 R CB 0.994 31.060 30.300 -0.390 0.000 1.018 382 R HN 0.100 nan 8.270 nan 0.000 0.483 383 I N 2.882 123.084 120.570 -0.615 0.000 2.500 383 I HA 0.237 4.408 4.170 0.001 0.000 0.286 383 I C -0.976 174.769 176.117 -0.619 0.000 1.063 383 I CA -0.524 60.393 61.300 -0.638 0.000 1.062 383 I CB 1.326 38.849 38.000 -0.795 0.000 1.223 383 I HN 0.379 nan 8.210 nan 0.000 0.435 384 F N 5.773 125.610 119.950 -0.189 0.000 2.411 384 F HA 0.395 4.922 4.527 0.001 0.000 0.350 384 F C 0.321 176.024 175.800 -0.162 0.000 1.114 384 F CA -0.818 57.077 58.000 -0.175 0.000 1.135 384 F CB 1.160 40.025 39.000 -0.226 0.000 1.120 384 F HN 0.015 nan 8.300 nan 0.000 0.495 385 V N 5.903 125.807 119.914 -0.017 0.000 2.288 385 V HA 0.276 4.396 4.120 0.001 0.000 0.266 385 V C 0.115 176.110 176.094 -0.166 0.000 1.048 385 V CA -0.515 61.677 62.300 -0.180 0.000 0.842 385 V CB 0.246 32.007 31.823 -0.103 0.000 1.064 385 V HN 0.535 nan 8.190 nan 0.000 0.472 386 I N 5.334 125.736 120.570 -0.279 0.000 2.297 386 I HA 0.360 4.530 4.170 0.001 0.000 0.291 386 I C -0.267 175.703 176.117 -0.245 0.000 1.033 386 I CA -0.162 61.035 61.300 -0.173 0.000 1.253 386 I CB 0.632 38.540 38.000 -0.153 0.000 1.396 386 I HN 0.339 nan 8.210 nan 0.000 0.476 387 F N 6.281 126.111 119.950 -0.200 0.000 2.427 387 F HA 0.182 4.710 4.527 0.001 0.000 0.352 387 F C 0.310 175.980 175.800 -0.217 0.000 1.100 387 F CA -0.484 57.399 58.000 -0.195 0.000 1.191 387 F CB 0.635 39.561 39.000 -0.124 0.000 1.128 387 F HN 0.255 nan 8.300 nan 0.000 0.533 388 L N 4.126 125.221 121.223 -0.214 0.000 2.384 388 L HA 0.478 4.818 4.340 0.001 0.000 0.258 388 L C 0.523 177.127 176.870 -0.443 0.000 1.266 388 L CA -0.072 54.416 54.840 -0.586 0.000 1.162 388 L CB -0.985 40.509 42.059 -0.941 0.000 1.375 388 L HN 0.779 nan 8.230 nan 0.000 0.420 389 G N 2.151 110.948 108.800 -0.006 0.000 2.355 389 G HA2 0.041 4.002 3.960 0.001 0.000 0.619 389 G HA3 0.041 4.002 3.960 0.001 0.000 0.619 389 G C -1.234 173.718 174.900 0.087 0.000 1.337 389 G CA -1.057 44.113 45.100 0.116 0.000 0.993 389 G HN 0.127 nan 8.290 nan 0.000 0.599 390 I N 1.811 122.411 120.570 0.051 0.000 2.410 390 I HA 0.340 4.510 4.170 0.001 0.000 0.286 390 I C -1.986 174.103 176.117 -0.045 0.000 1.009 390 I CA -1.893 59.395 61.300 -0.020 0.000 1.111 390 I CB 2.143 40.152 38.000 0.015 0.000 1.262 390 I HN 0.257 nan 8.210 nan 0.000 0.443 391 P HA 0.046 nan 4.420 nan 0.000 0.267 391 P C 0.606 177.872 177.300 -0.056 0.000 1.200 391 P CA -0.097 62.951 63.100 -0.086 0.000 0.772 391 P CB 0.462 32.068 31.700 -0.157 0.000 0.855 392 T N -1.513 113.024 114.554 -0.029 0.000 3.223 392 T HA 0.464 4.815 4.350 0.001 0.000 0.259 392 T C 0.512 175.201 174.700 -0.017 0.000 1.015 392 T CA -0.298 61.791 62.100 -0.018 0.000 0.908 392 T CB -0.593 68.271 68.868 -0.006 0.000 1.054 392 T HN 0.491 nan 8.240 nan 0.000 0.567 393 G N -0.209 108.576 108.800 -0.025 0.000 2.667 393 G HA2 0.482 4.443 3.960 0.001 0.000 0.298 393 G HA3 0.482 4.443 3.960 0.001 0.000 0.298 393 G C 0.039 174.924 174.900 -0.025 0.000 1.377 393 G CA -0.758 44.331 45.100 -0.017 0.000 0.964 393 G HN 0.150 nan 8.290 nan 0.000 0.493 394 E N -0.030 120.160 120.200 -0.017 0.000 2.072 394 E HA -0.074 4.276 4.350 0.001 0.000 0.191 394 E C 0.756 177.356 176.600 -0.001 0.000 0.985 394 E CA 0.669 57.060 56.400 -0.016 0.000 0.801 394 E CB 0.130 29.824 29.700 -0.010 0.000 0.750 394 E HN 0.302 nan 8.360 nan 0.000 0.452 395 K N 1.564 121.970 120.400 0.010 0.000 2.378 395 K HA 0.162 4.482 4.320 0.001 0.000 0.288 395 K C -0.951 175.669 176.600 0.033 0.000 1.057 395 K CA 0.272 56.575 56.287 0.027 0.000 0.971 395 K CB 0.175 32.691 32.500 0.027 0.000 0.975 395 K HN -0.055 nan 8.250 nan 0.000 0.475 396 I N 4.660 125.263 120.570 0.054 0.000 2.433 396 I HA 0.276 4.447 4.170 0.001 0.000 0.292 396 I C -0.940 175.245 176.117 0.113 0.000 1.001 396 I CA -1.247 60.100 61.300 0.079 0.000 1.119 396 I CB 2.080 40.127 38.000 0.078 0.000 1.289 396 I HN 0.202 nan 8.210 nan 0.000 0.438 397 V N 7.300 127.281 119.914 0.112 0.000 2.326 397 V HA 0.407 4.527 4.120 0.001 0.000 0.281 397 V C 0.030 176.193 176.094 0.115 0.000 1.015 397 V CA -0.476 61.888 62.300 0.106 0.000 0.823 397 V CB 1.346 33.215 31.823 0.077 0.000 1.009 397 V HN 0.472 nan 8.190 nan 0.000 0.436 398 I N 3.965 124.610 120.570 0.125 0.000 2.352 398 I HA 0.264 4.435 4.170 0.001 0.000 0.290 398 I C 0.765 176.933 176.117 0.084 0.000 1.036 398 I CA -0.089 61.270 61.300 0.098 0.000 1.336 398 I CB 0.757 38.818 38.000 0.101 0.000 1.407 398 I HN 0.606 nan 8.210 nan 0.000 0.497 399 E N 5.606 125.843 120.200 0.063 0.000 2.383 399 E HA 0.016 4.366 4.350 0.001 0.000 0.264 399 E C -0.377 176.261 176.600 0.062 0.000 1.050 399 E CA -0.141 56.292 56.400 0.055 0.000 0.896 399 E CB 0.364 30.087 29.700 0.038 0.000 0.982 399 E HN 0.525 nan 8.360 nan 0.000 0.424 400 D N 0.970 121.403 120.400 0.055 0.000 2.708 400 D HA -0.221 4.419 4.640 0.001 0.000 0.236 400 D C -0.838 175.502 176.300 0.066 0.000 1.146 400 D CA 0.774 54.803 54.000 0.049 0.000 0.662 400 D CB -1.059 39.763 40.800 0.036 0.000 1.059 400 D HN 0.092 nan 8.370 nan 0.000 0.428 401 L N 0.198 121.473 121.223 0.087 0.000 2.455 401 L HA 0.461 4.801 4.340 0.001 0.000 0.264 401 L C -0.990 175.946 176.870 0.111 0.000 0.968 401 L CA -0.410 54.496 54.840 0.110 0.000 0.827 401 L CB 1.955 44.121 42.059 0.178 0.000 1.317 401 L HN -0.034 nan 8.230 nan 0.000 0.407 402 N N 4.066 122.827 118.700 0.102 0.000 2.292 402 N HA 0.718 5.458 4.740 0.001 0.000 0.303 402 N C -1.592 174.005 175.510 0.145 0.000 1.140 402 N CA -0.808 52.314 53.050 0.120 0.000 0.788 402 N CB 2.175 40.714 38.487 0.088 0.000 1.361 402 N HN 0.426 nan 8.380 nan 0.000 0.489 403 L N 0.550 121.878 121.223 0.175 0.000 2.342 403 L HA 0.337 4.677 4.340 0.001 0.000 0.271 403 L C 1.140 178.114 176.870 0.174 0.000 1.008 403 L CA -0.304 54.634 54.840 0.162 0.000 0.818 403 L CB 1.932 44.030 42.059 0.066 0.000 1.296 403 L HN 0.582 nan 8.230 nan 0.000 0.427 404 S N 1.177 116.965 115.700 0.147 0.000 2.469 404 S HA 0.015 4.486 4.470 0.001 0.000 0.238 404 S C 0.846 175.530 174.600 0.141 0.000 0.998 404 S CA 0.997 59.272 58.200 0.124 0.000 0.957 404 S CB -0.242 63.024 63.200 0.110 0.000 0.764 404 S HN 0.861 nan 8.310 nan 0.000 0.514 405 A N -0.972 121.960 122.820 0.187 0.000 5.654 405 A HA 0.216 4.536 4.320 0.001 0.000 0.254 405 A C 1.489 179.193 177.584 0.201 0.000 2.251 405 A CA 0.534 52.772 52.037 0.336 0.000 0.710 405 A CB -1.868 17.333 19.000 0.334 0.000 1.019 405 A HN 1.860 nan 8.150 nan 0.000 0.342 406 G N -2.842 106.076 108.800 0.197 0.000 3.226 406 G HA2 0.367 4.327 3.960 0.001 0.000 0.270 406 G HA3 0.367 4.327 3.960 0.001 0.000 0.270 406 G C 1.276 176.290 174.900 0.190 0.000 1.592 406 G CA 1.797 46.977 45.100 0.132 0.000 1.055 406 G HN 3.358 nan 8.290 nan 0.000 0.582 407 T N -2.357 112.285 114.554 0.147 0.000 2.893 407 T HA 0.707 5.058 4.350 0.001 0.000 0.293 407 T C -0.900 173.816 174.700 0.026 0.000 1.027 407 T CA -0.044 62.153 62.100 0.161 0.000 0.988 407 T CB 2.457 71.377 68.868 0.088 0.000 1.043 407 T HN 1.301 nan 8.240 nan 0.000 0.461 408 V N 4.049 123.958 119.914 -0.008 0.000 2.448 408 V HA 0.711 4.831 4.120 0.001 0.000 0.295 408 V C 0.038 176.125 176.094 -0.013 0.000 1.025 408 V CA -0.916 61.273 62.300 -0.185 0.000 0.859 408 V CB 1.437 32.923 31.823 -0.562 0.000 0.988 408 V HN 1.070 nan 8.190 nan 0.000 0.431 409 R N 2.898 123.400 120.500 0.003 0.000 2.854 409 R HA 0.518 4.858 4.340 0.001 0.000 0.271 409 R C -0.486 175.887 176.300 0.123 0.000 0.994 409 R CA -0.854 55.289 56.100 0.073 0.000 0.945 409 R CB 1.583 31.921 30.300 0.062 0.000 1.194 409 R HN 0.777 nan 8.270 nan 0.000 0.476 410 H N 2.100 121.211 119.070 0.067 0.000 2.975 410 H HA -0.027 4.529 4.556 0.001 0.000 0.303 410 H C 0.158 175.573 175.328 0.144 0.000 1.023 410 H CA 0.179 56.290 56.048 0.105 0.000 1.473 410 H CB 0.579 30.381 29.762 0.067 0.000 1.498 410 H HN 0.652 nan 8.280 nan 0.000 0.549 411 F N 5.565 125.354 119.950 -0.267 0.000 2.102 411 F HA -0.225 4.303 4.527 0.001 0.000 0.298 411 F C 1.567 177.319 175.800 -0.080 0.000 1.105 411 F CA 1.040 58.985 58.000 -0.091 0.000 1.239 411 F CB -0.168 38.842 39.000 0.017 0.000 0.991 411 F HN 0.494 nan 8.300 nan 0.000 0.474 412 L N 0.603 121.630 121.223 -0.325 0.000 2.056 412 L HA -0.118 4.222 4.340 0.001 0.000 0.207 412 L C 2.641 179.422 176.870 -0.148 0.000 1.078 412 L CA 2.542 57.210 54.840 -0.287 0.000 0.749 412 L CB -1.219 40.860 42.059 0.034 0.000 0.901 412 L HN 0.492 nan 8.230 nan 0.000 0.433 413 T N -5.220 109.402 114.554 0.114 0.000 3.051 413 T HA 0.304 4.654 4.350 0.001 0.000 0.255 413 T C 1.529 176.238 174.700 0.014 0.000 1.085 413 T CA 0.513 62.657 62.100 0.073 0.000 1.109 413 T CB 0.155 69.099 68.868 0.127 0.000 0.921 413 T HN 0.444 nan 8.240 nan 0.000 0.488 414 G N 1.276 110.089 108.800 0.021 0.000 2.176 414 G HA2 -0.260 3.701 3.960 0.001 0.000 0.253 414 G HA3 -0.260 3.701 3.960 0.001 0.000 0.253 414 G C -0.136 174.794 174.900 0.049 0.000 0.979 414 G CA 0.174 45.277 45.100 0.006 0.000 0.641 414 G HN 0.772 nan 8.290 nan 0.000 0.530 415 E N 0.932 121.183 120.200 0.084 0.000 2.366 415 E HA 0.287 4.638 4.350 0.001 0.000 0.266 415 E C 0.884 177.533 176.600 0.082 0.000 1.015 415 E CA -0.637 55.802 56.400 0.065 0.000 0.906 415 E CB 0.315 30.040 29.700 0.042 0.000 0.979 415 E HN 0.375 nan 8.360 nan 0.000 0.443 416 R N 4.596 125.134 120.500 0.065 0.000 2.537 416 R HA 0.166 4.506 4.340 0.001 0.000 0.280 416 R C -0.588 175.766 176.300 0.090 0.000 1.058 416 R CA -0.048 56.100 56.100 0.079 0.000 1.057 416 R CB 0.339 30.682 30.300 0.072 0.000 0.973 416 R HN 0.503 nan 8.270 nan 0.000 0.438 417 L N 1.701 122.998 121.223 0.122 0.000 2.322 417 L HA 0.323 4.663 4.340 0.001 0.000 0.269 417 L C 0.296 177.282 176.870 0.193 0.000 1.012 417 L CA -0.802 54.118 54.840 0.133 0.000 0.815 417 L CB 1.841 43.980 42.059 0.132 0.000 1.295 417 L HN 0.580 nan 8.230 nan 0.000 0.438 418 S N 1.505 117.296 115.700 0.152 0.000 2.548 418 S HA 0.574 5.044 4.470 0.001 0.000 0.277 418 S C -0.773 173.975 174.600 0.247 0.000 1.315 418 S CA -0.333 57.952 58.200 0.142 0.000 1.050 418 S CB -0.012 63.228 63.200 0.067 0.000 0.918 418 S HN 0.414 nan 8.310 nan 0.000 0.497 419 F N 2.051 122.022 119.950 0.036 0.000 2.654 419 F HA 0.767 5.294 4.527 0.001 0.000 0.308 419 F C -1.171 174.652 175.800 0.038 0.000 1.108 419 F CA -1.058 56.968 58.000 0.043 0.000 0.957 419 F CB 1.298 40.330 39.000 0.054 0.000 1.309 419 F HN 0.543 nan 8.300 nan 0.000 0.446 420 K N 2.288 122.678 120.400 -0.017 0.000 2.501 420 K HA 0.379 4.699 4.320 0.001 0.000 0.252 420 K C -1.441 175.206 176.600 0.078 0.000 0.934 420 K CA -0.876 55.346 56.287 -0.109 0.000 0.797 420 K CB 1.559 34.015 32.500 -0.073 0.000 1.270 420 K HN 0.793 nan 8.250 nan 0.000 0.431 421 N N 1.951 120.691 118.700 0.066 0.000 2.497 421 N HA 0.108 4.848 4.740 0.001 0.000 0.268 421 N C -0.980 174.563 175.510 0.055 0.000 1.171 421 N CA 0.079 53.187 53.050 0.098 0.000 0.948 421 N CB 1.289 39.831 38.487 0.092 0.000 1.069 421 N HN 0.177 nan 8.380 nan 0.000 0.460 422 V N 1.877 121.829 119.914 0.063 0.000 2.327 422 V HA 0.410 4.530 4.120 0.001 0.000 0.272 422 V C 1.023 177.143 176.094 0.042 0.000 1.019 422 V CA -0.276 62.051 62.300 0.044 0.000 0.814 422 V CB 0.387 32.237 31.823 0.046 0.000 1.040 422 V HN 0.991 nan 8.190 nan 0.000 0.440 423 G N 5.284 114.104 108.800 0.034 0.000 2.591 423 G HA2 -0.349 3.612 3.960 0.001 0.000 0.298 423 G HA3 -0.349 3.612 3.960 0.001 0.000 0.298 423 G C 0.948 175.870 174.900 0.037 0.000 1.195 423 G CA 0.811 45.929 45.100 0.030 0.000 0.989 423 G HN 0.890 nan 8.290 nan 0.000 0.551 424 K N 1.011 121.432 120.400 0.035 0.000 2.366 424 K HA 0.120 4.440 4.320 0.001 0.000 0.198 424 K C 0.786 177.417 176.600 0.052 0.000 1.044 424 K CA 0.971 57.281 56.287 0.038 0.000 0.973 424 K CB -0.050 32.467 32.500 0.028 0.000 0.767 424 K HN 0.405 nan 8.250 nan 0.000 0.475 425 N N 1.078 119.813 118.700 0.058 0.000 2.448 425 N HA 0.290 5.030 4.740 0.001 0.000 0.274 425 N C -1.123 174.445 175.510 0.097 0.000 1.239 425 N CA -0.636 52.458 53.050 0.074 0.000 0.982 425 N CB 1.052 39.579 38.487 0.067 0.000 1.199 425 N HN 0.042 nan 8.380 nan 0.000 0.576 426 L N -0.052 121.242 121.223 0.118 0.000 2.385 426 L HA 0.415 4.755 4.340 0.001 0.000 0.273 426 L C -0.529 176.435 176.870 0.157 0.000 0.990 426 L CA -0.287 54.647 54.840 0.156 0.000 0.821 426 L CB 1.445 43.606 42.059 0.171 0.000 1.279 426 L HN 0.445 nan 8.230 nan 0.000 0.412 427 E N 3.859 124.163 120.200 0.173 0.000 2.195 427 E HA 0.643 4.994 4.350 0.001 0.000 0.271 427 E C -1.533 175.187 176.600 0.200 0.000 0.923 427 E CA -0.753 55.739 56.400 0.152 0.000 0.790 427 E CB 2.578 32.342 29.700 0.107 0.000 1.155 427 E HN 0.522 nan 8.360 nan 0.000 0.402 428 I N 1.070 121.740 120.570 0.167 0.000 2.680 428 I HA 0.192 4.362 4.170 0.001 0.000 0.291 428 I C -1.436 174.749 176.117 0.115 0.000 1.244 428 I CA -0.070 61.337 61.300 0.179 0.000 1.042 428 I CB 2.283 40.392 38.000 0.181 0.000 1.277 428 I HN 0.315 nan 8.210 nan 0.000 0.423 429 T N 6.971 121.588 114.554 0.105 0.000 2.753 429 T HA 0.589 4.940 4.350 0.001 0.000 0.297 429 T C -0.622 174.108 174.700 0.050 0.000 0.981 429 T CA -0.404 61.734 62.100 0.063 0.000 0.956 429 T CB 0.706 69.606 68.868 0.054 0.000 0.936 429 T HN 0.366 nan 8.240 nan 0.000 0.463 430 V N 5.849 125.775 119.914 0.020 0.000 2.334 430 V HA 0.362 4.482 4.120 0.001 0.000 0.281 430 V C -2.310 173.766 176.094 -0.030 0.000 1.016 430 V CA -2.654 59.644 62.300 -0.003 0.000 0.832 430 V CB 0.881 32.693 31.823 -0.017 0.000 0.999 430 V HN 0.591 nan 8.190 nan 0.000 0.439 431 P HA 0.048 nan 4.420 nan 0.000 0.267 431 P C 0.831 178.095 177.300 -0.060 0.000 1.201 431 P CA -0.052 63.021 63.100 -0.045 0.000 0.775 431 P CB 0.882 32.551 31.700 -0.051 0.000 0.854 432 K N 2.553 122.926 120.400 -0.045 0.000 2.147 432 K HA -0.208 4.113 4.320 0.001 0.000 0.205 432 K C 1.773 178.343 176.600 -0.051 0.000 1.049 432 K CA 1.533 57.794 56.287 -0.042 0.000 0.936 432 K CB -0.088 32.395 32.500 -0.028 0.000 0.722 432 K HN 0.274 nan 8.250 nan 0.000 0.446 433 K N 0.646 121.011 120.400 -0.058 0.000 2.103 433 K HA -0.118 4.202 4.320 0.001 0.000 0.207 433 K C 1.899 178.437 176.600 -0.103 0.000 1.048 433 K CA 1.226 57.474 56.287 -0.065 0.000 0.930 433 K CB 0.033 32.496 32.500 -0.061 0.000 0.716 433 K HN 0.151 nan 8.250 nan 0.000 0.444 434 L N 0.371 121.490 121.223 -0.173 0.000 2.375 434 L HA -0.013 4.327 4.340 0.001 0.000 0.215 434 L C 1.951 178.692 176.870 -0.215 0.000 1.108 434 L CA 0.161 54.789 54.840 -0.354 0.000 0.830 434 L CB -0.078 41.595 42.059 -0.643 0.000 0.959 434 L HN 0.149 nan 8.230 nan 0.000 0.457 435 L N -0.348 120.818 121.223 -0.096 0.000 2.156 435 L HA -0.129 4.212 4.340 0.001 0.000 0.208 435 L C 2.149 179.030 176.870 0.018 0.000 1.095 435 L CA 1.100 55.928 54.840 -0.019 0.000 0.770 435 L CB -0.264 41.770 42.059 -0.042 0.000 0.914 435 L HN 0.238 nan 8.230 nan 0.000 0.439 436 E N -0.676 119.523 120.200 -0.002 0.000 2.427 436 E HA -0.119 4.232 4.350 0.001 0.000 0.196 436 E C 1.930 178.555 176.600 0.041 0.000 1.028 436 E CA 1.233 57.643 56.400 0.017 0.000 0.864 436 E CB 0.072 29.771 29.700 -0.001 0.000 0.813 436 E HN 0.538 nan 8.360 nan 0.000 0.514 437 T N -1.344 113.240 114.554 0.051 0.000 3.088 437 T HA -0.013 4.337 4.350 0.001 0.000 0.259 437 T C 0.596 175.400 174.700 0.174 0.000 1.122 437 T CA 0.098 62.253 62.100 0.092 0.000 1.095 437 T CB 0.145 69.065 68.868 0.088 0.000 0.930 437 T HN -0.152 nan 8.240 nan 0.000 0.508 438 D N 1.708 122.240 120.400 0.221 0.000 2.253 438 D HA 0.480 5.121 4.640 0.001 0.000 0.249 438 D C -0.667 175.785 176.300 0.253 0.000 1.049 438 D CA -0.178 54.008 54.000 0.309 0.000 0.929 438 D CB 1.830 42.809 40.800 0.297 0.000 1.176 438 D HN 0.152 nan 8.370 nan 0.000 0.437 439 S N 0.992 116.905 115.700 0.355 0.000 2.530 439 S HA 0.390 4.860 4.470 0.001 0.000 0.322 439 S C 1.258 176.070 174.600 0.354 0.000 1.085 439 S CA -0.552 57.834 58.200 0.309 0.000 1.096 439 S CB 1.114 64.512 63.200 0.329 0.000 0.988 439 S HN 0.585 nan 8.310 nan 0.000 0.466 440 I N 0.456 121.152 120.570 0.209 0.000 4.205 440 I HA -0.302 3.868 4.170 0.001 0.000 0.094 440 I C 0.553 176.786 176.117 0.195 0.000 0.521 440 I CA 1.640 63.029 61.300 0.148 0.000 1.179 440 I CB -1.410 36.610 38.000 0.033 0.000 1.046 440 I HN 0.679 nan 8.210 nan 0.000 0.179 441 T N -0.118 114.549 114.554 0.188 0.000 2.937 441 T HA 0.649 4.999 4.350 0.001 0.000 0.297 441 T C -0.743 173.962 174.700 0.008 0.000 0.991 441 T CA -0.761 61.402 62.100 0.105 0.000 0.990 441 T CB 2.324 71.250 68.868 0.097 0.000 0.991 441 T HN 0.300 nan 8.240 nan 0.000 0.440 442 L N 4.061 125.304 121.223 0.032 0.000 2.455 442 L HA 0.625 4.965 4.340 0.001 0.000 0.272 442 L C -0.825 176.091 176.870 0.076 0.000 1.174 442 L CA 0.231 55.062 54.840 -0.016 0.000 0.869 442 L CB 0.411 42.268 42.059 -0.335 0.000 1.130 442 L HN 0.663 nan 8.230 nan 0.000 0.474 443 V N 6.364 126.295 119.914 0.028 0.000 2.588 443 V HA 0.505 4.626 4.120 0.001 0.000 0.304 443 V C -0.120 176.014 176.094 0.065 0.000 1.042 443 V CA -0.596 61.718 62.300 0.024 0.000 0.877 443 V CB 1.489 33.220 31.823 -0.154 0.000 0.996 443 V HN 0.690 nan 8.190 nan 0.000 0.425 444 L N 2.667 123.964 121.223 0.122 0.000 2.293 444 L HA 0.770 5.110 4.340 0.001 0.000 0.264 444 L C -0.164 176.757 176.870 0.085 0.000 1.029 444 L CA -0.460 54.447 54.840 0.112 0.000 0.897 444 L CB 1.441 43.576 42.059 0.126 0.000 1.497 444 L HN 0.819 nan 8.230 nan 0.000 0.495 445 E N -0.293 119.907 120.200 -0.000 0.000 2.406 445 E HA 0.622 4.972 4.350 0.001 0.000 0.297 445 E C -1.971 174.520 176.600 -0.183 0.000 0.917 445 E CA -0.499 55.830 56.400 -0.118 0.000 0.795 445 E CB 1.443 31.142 29.700 -0.002 0.000 1.285 445 E HN 0.663 nan 8.360 nan 0.000 0.400 446 A N 3.480 126.131 122.820 -0.280 0.000 2.304 446 A HA 0.741 5.061 4.320 0.001 0.000 0.323 446 A C -0.621 176.831 177.584 -0.221 0.000 1.195 446 A CA -0.462 51.421 52.037 -0.257 0.000 0.826 446 A CB 1.124 19.939 19.000 -0.308 0.000 1.184 446 A HN 0.324 nan 8.150 nan 0.000 0.496 447 V N 0.000 119.835 119.914 -0.131 0.000 2.409 447 V HA 0.000 4.120 4.120 0.001 0.000 0.244 447 V CA 0.000 62.248 62.300 -0.087 0.000 1.235 447 V CB 0.000 31.790 31.823 -0.055 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556