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 3bwo_1_B DATA FIRST_RESID 17 DATA SEQUENCE NIPMSDFVVN LDHGDPTAYE EYWRKMGDRC TVTIRGCDLM SYFSDMTNLC DATA SEQUENCE WFLEPELEDA IKDLHGVVGN AATEDRYIVV GTGSTQLCQA AVHALSSLAR DATA SEQUENCE SQPVSVVAAA PFYSTYVEET TYVRSGMYKW EGDAWGFDKK GPYIELVTSP DATA SEQUENCE NNPDGTIRET VVXXXXXXXA KVIHDFAYYW PHYTPITRRQ DHDIMLFTFS DATA SEQUENCE XITGHAGSRI GWALVKDKEV AKKMVEYIIV NSIGVSKESQ VRTAKILNVL DATA SEQUENCE KETCKSESES ENFFKYGREM MKNRWEKLRE VVKESDAFTL PKYPEAFCNY DATA SEQUENCE FGKSLESYPA FAWLGTKEET DLVSELRRHK VMSRAGERCG SDKKHVRVSM DATA SEQUENCE LSREDVFNVF LERLANMKLI K 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 17 N HA 0.000 nan 4.740 nan 0.000 0.220 17 N C 0.000 175.511 175.510 0.002 0.000 1.280 17 N CA 0.000 53.049 53.050 -0.001 0.000 0.885 17 N CB 0.000 38.488 38.487 0.002 0.000 1.341 18 I N 1.529 122.103 120.570 0.006 0.000 3.269 18 I HA 0.075 4.246 4.170 0.001 0.000 0.290 18 I C -1.818 174.307 176.117 0.012 0.000 1.217 18 I CA -0.897 60.414 61.300 0.019 0.000 1.384 18 I CB -0.694 37.325 38.000 0.033 0.000 1.476 18 I HN -0.089 nan 8.210 nan 0.000 0.566 19 P HA -0.049 nan 4.420 nan 0.000 0.262 19 P C 0.363 177.683 177.300 0.033 0.000 1.199 19 P CA -0.213 62.896 63.100 0.016 0.000 0.763 19 P CB 1.057 32.768 31.700 0.019 0.000 0.790 20 M N 3.797 123.403 119.600 0.009 0.000 2.706 20 M HA -0.123 4.358 4.480 0.001 0.000 0.251 20 M C 1.530 177.885 176.300 0.092 0.000 1.070 20 M CA 1.283 56.593 55.300 0.015 0.000 1.073 20 M CB -1.001 31.573 32.600 -0.043 0.000 1.449 20 M HN 0.388 nan 8.290 nan 0.000 0.531 21 S N -2.573 113.171 115.700 0.073 0.000 2.558 21 S HA 0.040 4.511 4.470 0.001 0.000 0.217 21 S C 0.989 175.640 174.600 0.086 0.000 0.975 21 S CA 0.462 58.706 58.200 0.073 0.000 0.912 21 S CB -0.214 63.006 63.200 0.034 0.000 0.776 21 S HN 0.434 nan 8.310 nan 0.000 0.526 22 D N 0.533 120.999 120.400 0.110 0.000 2.342 22 D HA 0.311 4.952 4.640 0.001 0.000 0.221 22 D C -0.858 175.531 176.300 0.148 0.000 1.101 22 D CA -0.117 53.941 54.000 0.097 0.000 0.837 22 D CB -0.049 40.798 40.800 0.078 0.000 0.938 22 D HN 0.417 nan 8.370 nan 0.000 0.508 23 F N 1.283 121.242 119.950 0.014 0.000 2.371 23 F HA 0.291 4.819 4.527 0.001 0.000 0.363 23 F C -0.093 175.723 175.800 0.027 0.000 1.122 23 F CA -1.014 56.998 58.000 0.020 0.000 1.129 23 F CB 0.714 39.727 39.000 0.021 0.000 1.173 23 F HN -0.357 nan 8.300 nan 0.000 0.489 24 V N 7.223 126.818 119.914 -0.531 0.000 2.470 24 V HA 0.102 4.223 4.120 0.001 0.000 0.276 24 V C -0.105 175.726 176.094 -0.438 0.000 1.040 24 V CA -0.434 61.655 62.300 -0.353 0.000 1.008 24 V CB 1.044 32.721 31.823 -0.243 0.000 0.990 24 V HN 0.459 nan 8.190 nan 0.000 0.477 25 V N 5.774 125.587 119.914 -0.167 0.000 2.353 25 V HA 0.218 4.339 4.120 0.001 0.000 0.264 25 V C 0.480 176.505 176.094 -0.114 0.000 1.049 25 V CA -0.431 61.822 62.300 -0.079 0.000 0.896 25 V CB 1.068 32.931 31.823 0.067 0.000 1.025 25 V HN 0.858 nan 8.190 nan 0.000 0.475 26 N N 5.970 124.586 118.700 -0.139 0.000 2.558 26 N HA 0.311 5.052 4.740 0.001 0.000 0.233 26 N C -0.189 175.129 175.510 -0.320 0.000 1.038 26 N CA -0.165 52.769 53.050 -0.193 0.000 0.934 26 N CB 0.803 39.206 38.487 -0.139 0.000 1.175 26 N HN 0.641 nan 8.380 nan 0.000 0.512 27 L N 2.264 123.302 121.223 -0.307 0.000 3.141 27 L HA 0.238 4.579 4.340 0.001 0.000 0.267 27 L C 0.990 177.716 176.870 -0.240 0.000 1.281 27 L CA -0.160 54.490 54.840 -0.316 0.000 1.037 27 L CB 0.481 42.328 42.059 -0.353 0.000 1.407 27 L HN 0.366 nan 8.230 nan 0.000 0.566 28 D N -0.295 119.927 120.400 -0.297 0.000 2.162 28 D HA -0.105 4.536 4.640 0.001 0.000 0.205 28 D C 1.175 177.465 176.300 -0.017 0.000 0.964 28 D CA 0.937 54.861 54.000 -0.126 0.000 0.847 28 D CB 0.327 41.068 40.800 -0.099 0.000 0.988 28 D HN 0.525 nan 8.370 nan 0.000 0.480 29 H N -2.270 116.861 119.070 0.102 0.000 2.423 29 H HA 0.604 5.161 4.556 0.002 0.000 0.309 29 H C 0.760 176.237 175.328 0.248 0.000 1.584 29 H CA -0.460 55.675 56.048 0.147 0.000 1.504 29 H CB 0.328 30.145 29.762 0.091 0.000 1.740 29 H HN -0.059 nan 8.280 nan 0.000 0.744 30 G N -0.770 108.359 108.800 0.549 0.000 4.432 30 G HA2 0.081 4.042 3.960 0.001 0.000 0.294 30 G HA3 0.081 4.042 3.960 0.001 0.000 0.294 30 G C -0.733 174.326 174.900 0.264 0.000 1.141 30 G CA -0.342 45.013 45.100 0.425 0.000 0.895 30 G HN 0.680 nan 8.290 nan 0.000 0.548 31 D N 2.427 122.987 120.400 0.267 0.000 2.349 31 D HA 0.150 4.791 4.640 0.001 0.000 0.266 31 D C -1.531 174.837 176.300 0.114 0.000 1.293 31 D CA -1.697 52.344 54.000 0.069 0.000 0.926 31 D CB 1.348 42.059 40.800 -0.148 0.000 1.090 31 D HN 0.122 nan 8.370 nan 0.000 0.502 32 P HA 0.020 nan 4.420 nan 0.000 0.231 32 P C 0.463 177.864 177.300 0.169 0.000 1.756 32 P CA -0.055 63.156 63.100 0.185 0.000 0.990 32 P CB -0.463 31.439 31.700 0.336 0.000 1.973 33 T N -2.859 111.751 114.554 0.093 0.000 3.118 33 T HA 0.050 4.401 4.350 0.001 0.000 0.260 33 T C 1.809 176.549 174.700 0.066 0.000 1.139 33 T CA 0.637 62.787 62.100 0.085 0.000 1.085 33 T CB -0.289 68.622 68.868 0.072 0.000 0.934 33 T HN 0.127 nan 8.240 nan 0.000 0.518 34 A N 0.830 123.628 122.820 -0.036 0.000 2.076 34 A HA -0.003 4.318 4.320 0.001 0.000 0.220 34 A C 1.658 179.173 177.584 -0.115 0.000 1.160 34 A CA 0.874 52.812 52.037 -0.164 0.000 0.653 34 A CB -0.949 17.821 19.000 -0.382 0.000 0.801 34 A HN 0.650 nan 8.150 nan 0.000 0.455 35 Y N -0.576 119.846 120.300 0.203 0.000 2.490 35 Y HA 0.121 4.672 4.550 0.001 0.000 0.281 35 Y C 2.036 178.135 175.900 0.332 0.000 1.174 35 Y CA 0.387 58.666 58.100 0.297 0.000 1.295 35 Y CB -0.212 38.495 38.460 0.412 0.000 1.062 35 Y HN 0.488 nan 8.280 nan 0.000 0.522 36 E N 0.938 121.338 120.200 0.333 0.000 2.051 36 E HA -0.233 4.118 4.350 0.001 0.000 0.192 36 E C 1.703 178.438 176.600 0.225 0.000 0.991 36 E CA 1.388 57.941 56.400 0.254 0.000 0.799 36 E CB 0.099 29.884 29.700 0.141 0.000 0.748 36 E HN 0.554 nan 8.360 nan 0.000 0.449 37 E N -0.370 119.936 120.200 0.176 0.000 2.033 37 E HA -0.261 4.090 4.350 0.001 0.000 0.199 37 E C 1.945 178.581 176.600 0.060 0.000 1.011 37 E CA 1.558 58.028 56.400 0.117 0.000 0.815 37 E CB -0.356 29.420 29.700 0.127 0.000 0.755 37 E HN 0.350 nan 8.360 nan 0.000 0.451 38 Y N 0.104 120.346 120.300 -0.095 0.000 2.040 38 Y HA -0.312 4.239 4.550 0.001 0.000 0.275 38 Y C 1.876 177.586 175.900 -0.316 0.000 1.171 38 Y CA 2.217 60.069 58.100 -0.413 0.000 1.123 38 Y CB -0.718 37.330 38.460 -0.688 0.000 0.963 38 Y HN 0.137 nan 8.280 nan 0.000 0.493 39 W N 0.354 121.696 121.300 0.071 0.000 2.392 39 W HA -0.102 4.559 4.660 0.002 0.000 0.279 39 W C 2.791 179.255 176.519 -0.092 0.000 1.225 39 W CA 1.313 58.645 57.345 -0.021 0.000 1.233 39 W CB -0.317 29.224 29.460 0.134 0.000 1.122 39 W HN -0.017 nan 8.180 nan 0.000 0.561 40 R N 1.331 121.910 120.500 0.132 0.000 2.081 40 R HA -0.160 4.181 4.340 0.001 0.000 0.235 40 R C 1.877 178.160 176.300 -0.028 0.000 1.131 40 R CA 1.535 57.671 56.100 0.060 0.000 0.960 40 R CB -0.226 30.104 30.300 0.049 0.000 0.856 40 R HN 0.122 nan 8.270 nan 0.000 0.436 41 K N -0.243 120.082 120.400 -0.126 0.000 2.148 41 K HA -0.079 4.242 4.320 0.001 0.000 0.204 41 K C 2.062 178.540 176.600 -0.202 0.000 1.050 41 K CA 1.148 57.330 56.287 -0.175 0.000 0.942 41 K CB -0.049 32.303 32.500 -0.248 0.000 0.724 41 K HN 0.151 nan 8.250 nan 0.000 0.446 42 M N 0.473 119.904 119.600 -0.281 0.000 2.255 42 M HA -0.113 4.368 4.480 0.001 0.000 0.259 42 M C 1.353 177.610 176.300 -0.071 0.000 1.071 42 M CA 1.663 56.838 55.300 -0.208 0.000 1.074 42 M CB -1.637 30.892 32.600 -0.117 0.000 1.384 42 M HN 0.417 nan 8.290 nan 0.000 0.415 43 G N 0.747 109.527 108.800 -0.033 0.000 2.601 43 G HA2 -0.312 3.649 3.960 0.001 0.000 0.252 43 G HA3 -0.312 3.649 3.960 0.001 0.000 0.252 43 G C 0.135 175.040 174.900 0.009 0.000 1.294 43 G CA 0.261 45.354 45.100 -0.011 0.000 0.912 43 G HN 0.371 nan 8.290 nan 0.000 0.574 44 D N 0.743 121.144 120.400 0.001 0.000 2.354 44 D HA -0.063 4.578 4.640 0.001 0.000 0.216 44 D C 2.437 178.739 176.300 0.004 0.000 0.970 44 D CA 1.436 55.438 54.000 0.003 0.000 0.905 44 D CB -0.148 40.651 40.800 -0.003 0.000 0.903 44 D HN 0.703 nan 8.370 nan 0.000 0.508 45 R N -0.156 120.347 120.500 0.006 0.000 2.237 45 R HA 0.017 4.358 4.340 0.001 0.000 0.219 45 R C 1.006 177.315 176.300 0.016 0.000 1.080 45 R CA 0.835 56.939 56.100 0.007 0.000 0.995 45 R CB -0.658 29.645 30.300 0.006 0.000 0.875 45 R HN 0.206 nan 8.270 nan 0.000 0.462 46 C N 0.776 120.095 119.300 0.032 0.000 2.799 46 C HA 0.181 4.642 4.460 0.001 0.000 0.267 46 C C 0.671 175.652 174.990 -0.014 0.000 1.257 46 C CA -0.323 58.709 59.018 0.023 0.000 1.702 46 C CB -0.385 27.407 27.740 0.087 0.000 1.934 46 C HN 0.397 nan 8.230 nan 0.000 0.594 47 T N 1.863 116.414 114.554 -0.006 0.000 2.934 47 T HA 0.250 4.601 4.350 0.001 0.000 0.306 47 T C -0.089 174.594 174.700 -0.028 0.000 1.042 47 T CA 0.763 62.855 62.100 -0.013 0.000 1.145 47 T CB 0.692 69.555 68.868 -0.007 0.000 0.982 47 T HN 0.096 nan 8.240 nan 0.000 0.544 48 V N 3.691 123.587 119.914 -0.029 0.000 2.540 48 V HA 0.471 4.592 4.120 0.001 0.000 0.302 48 V C 0.169 176.248 176.094 -0.025 0.000 1.035 48 V CA -0.677 61.601 62.300 -0.036 0.000 0.873 48 V CB 2.262 34.056 31.823 -0.047 0.000 0.992 48 V HN 0.985 nan 8.190 nan 0.000 0.428 49 T N 6.347 120.886 114.554 -0.025 0.000 2.812 49 T HA 0.690 5.041 4.350 0.001 0.000 0.282 49 T C -0.540 174.149 174.700 -0.020 0.000 0.990 49 T CA -0.161 61.928 62.100 -0.019 0.000 0.960 49 T CB 1.029 69.887 68.868 -0.016 0.000 0.948 49 T HN 0.398 nan 8.240 nan 0.000 0.438 50 I N 3.244 123.804 120.570 -0.017 0.000 2.439 50 I HA 0.400 4.571 4.170 0.001 0.000 0.285 50 I C 0.570 176.679 176.117 -0.014 0.000 1.021 50 I CA -0.976 60.314 61.300 -0.017 0.000 1.091 50 I CB 1.439 39.428 38.000 -0.018 0.000 1.242 50 I HN 0.312 nan 8.210 nan 0.000 0.439 51 R N 3.167 123.659 120.500 -0.013 0.000 2.801 51 R HA 0.181 4.521 4.340 0.001 0.000 0.273 51 R C 1.339 177.631 176.300 -0.013 0.000 1.080 51 R CA 0.196 56.289 56.100 -0.012 0.000 1.197 51 R CB 0.489 30.783 30.300 -0.010 0.000 1.109 51 R HN 0.875 nan 8.270 nan 0.000 0.535 52 G N 0.120 108.913 108.800 -0.012 0.000 2.443 52 G HA2 -0.230 3.731 3.960 0.001 0.000 0.219 52 G HA3 -0.230 3.731 3.960 0.001 0.000 0.219 52 G C 1.244 176.135 174.900 -0.015 0.000 1.131 52 G CA 0.933 46.025 45.100 -0.014 0.000 0.775 52 G HN 0.750 nan 8.290 nan 0.000 0.547 53 C N -0.378 118.915 119.300 -0.012 0.000 2.906 53 C HA 0.361 4.822 4.460 0.001 0.000 0.274 53 C C -0.030 174.954 174.990 -0.011 0.000 1.257 53 C CA -1.491 57.520 59.018 -0.012 0.000 1.695 53 C CB -0.558 27.177 27.740 -0.008 0.000 1.958 53 C HN 0.109 nan 8.230 nan 0.000 0.619 54 D N 1.329 121.722 120.400 -0.012 0.000 2.339 54 D HA 0.347 4.988 4.640 0.001 0.000 0.245 54 D C 0.918 177.210 176.300 -0.013 0.000 1.115 54 D CA 0.147 54.141 54.000 -0.009 0.000 0.917 54 D CB 0.521 41.315 40.800 -0.010 0.000 1.192 54 D HN 0.417 nan 8.370 nan 0.000 0.428 55 L N 0.247 121.467 121.223 -0.005 0.000 3.739 55 L HA -0.285 4.056 4.340 0.001 0.000 0.442 55 L C 1.292 178.145 176.870 -0.029 0.000 1.241 55 L CA 0.041 54.878 54.840 -0.005 0.000 0.819 55 L CB -1.385 40.669 42.059 -0.008 0.000 1.679 55 L HN 0.481 nan 8.230 nan 0.000 0.889 56 M N -1.354 118.228 119.600 -0.030 0.000 2.357 56 M HA -0.003 4.478 4.480 0.001 0.000 0.266 56 M C 1.496 177.733 176.300 -0.106 0.000 1.095 56 M CA 0.895 56.155 55.300 -0.067 0.000 1.156 56 M CB 0.193 32.763 32.600 -0.049 0.000 1.365 56 M HN 0.485 nan 8.290 nan 0.000 0.447 57 S N -0.638 115.035 115.700 -0.045 0.000 2.576 57 S HA -0.004 4.466 4.470 0.001 0.000 0.272 57 S C 0.763 175.297 174.600 -0.111 0.000 1.352 57 S CA -0.208 57.969 58.200 -0.038 0.000 1.021 57 S CB 0.511 63.775 63.200 0.106 0.000 0.887 57 S HN 0.290 nan 8.310 nan 0.000 0.542 58 Y N 1.499 121.624 120.300 -0.293 0.000 2.263 58 Y HA 0.081 4.631 4.550 0.001 0.000 0.292 58 Y C 0.491 176.232 175.900 -0.265 0.000 1.130 58 Y CA 0.736 58.583 58.100 -0.422 0.000 1.179 58 Y CB 0.068 38.014 38.460 -0.857 0.000 0.998 58 Y HN 0.529 nan 8.280 nan 0.000 0.532 59 F N -1.356 118.818 119.950 0.372 0.000 2.379 59 F HA 0.242 4.770 4.527 0.001 0.000 0.332 59 F C 1.200 177.177 175.800 0.296 0.000 1.096 59 F CA -0.324 57.900 58.000 0.374 0.000 1.105 59 F CB 1.022 40.064 39.000 0.069 0.000 1.189 59 F HN -0.328 nan 8.300 nan 0.000 0.515 60 S N -0.683 115.325 115.700 0.515 0.000 2.591 60 S HA 0.052 4.523 4.470 0.001 0.000 0.235 60 S C -0.593 174.153 174.600 0.242 0.000 1.074 60 S CA 0.394 58.776 58.200 0.303 0.000 0.925 60 S CB 0.162 63.510 63.200 0.246 0.000 0.818 60 S HN 0.726 nan 8.310 nan 0.000 0.535 61 D N -0.081 120.489 120.400 0.283 0.000 2.419 61 D HA 0.242 4.883 4.640 0.001 0.000 0.219 61 D C 0.139 176.556 176.300 0.196 0.000 1.349 61 D CA -0.195 53.912 54.000 0.179 0.000 0.964 61 D CB 0.490 41.364 40.800 0.122 0.000 1.463 61 D HN -0.178 nan 8.370 nan 0.000 0.573 62 M N 1.716 121.369 119.600 0.088 0.000 2.659 62 M HA 0.050 4.531 4.480 0.001 0.000 0.243 62 M C 1.458 177.783 176.300 0.042 0.000 1.111 62 M CA 0.626 55.935 55.300 0.015 0.000 1.070 62 M CB -0.945 31.559 32.600 -0.159 0.000 1.525 62 M HN 0.355 nan 8.290 nan 0.000 0.517 63 T N 0.886 115.474 114.554 0.057 0.000 3.113 63 T HA 0.061 4.412 4.350 0.001 0.000 0.256 63 T C 0.496 175.239 174.700 0.071 0.000 1.131 63 T CA 0.378 62.507 62.100 0.048 0.000 1.074 63 T CB -0.145 68.746 68.868 0.038 0.000 0.944 63 T HN 0.477 nan 8.240 nan 0.000 0.516 64 N N 0.307 119.067 118.700 0.100 0.000 2.384 64 N HA 0.398 5.139 4.740 0.001 0.000 0.301 64 N C 0.519 176.091 175.510 0.103 0.000 1.133 64 N CA -0.707 52.401 53.050 0.097 0.000 0.853 64 N CB 1.699 40.230 38.487 0.074 0.000 1.241 64 N HN -0.116 nan 8.380 nan 0.000 0.502 65 L N 1.448 122.708 121.223 0.062 0.000 1.989 65 L HA -0.043 4.298 4.340 0.001 0.000 0.211 65 L C 0.733 177.576 176.870 -0.046 0.000 1.071 65 L CA 1.668 56.506 54.840 -0.003 0.000 0.749 65 L CB -0.213 41.767 42.059 -0.131 0.000 0.890 65 L HN 0.666 nan 8.230 nan 0.000 0.431 66 C N 2.135 121.334 119.300 -0.168 0.000 2.218 66 C HA 0.159 4.619 4.460 0.001 0.000 0.353 66 C C 1.661 176.401 174.990 -0.416 0.000 1.070 66 C CA -0.812 57.892 59.018 -0.524 0.000 1.497 66 C CB -1.542 25.854 27.740 -0.574 0.000 1.951 66 C HN 0.725 nan 8.230 nan 0.000 0.493 67 W N 3.841 125.027 121.300 -0.191 0.000 2.699 67 W HA 0.051 4.712 4.660 0.002 0.000 0.249 67 W C 0.926 177.501 176.519 0.093 0.000 1.280 67 W CA -0.166 57.181 57.345 0.003 0.000 1.345 67 W CB -1.121 28.422 29.460 0.138 0.000 1.128 67 W HN 0.810 nan 8.180 nan 0.000 0.642 68 F N 0.372 120.305 119.950 -0.029 0.000 2.692 68 F HA 0.431 4.958 4.527 0.001 0.000 0.303 68 F C 0.235 176.054 175.800 0.032 0.000 1.114 68 F CA -0.903 57.110 58.000 0.023 0.000 1.361 68 F CB -1.043 37.799 39.000 -0.263 0.000 1.063 68 F HN -0.247 nan 8.300 nan 0.000 0.550 69 L N 2.130 123.313 121.223 -0.068 0.000 2.260 69 L HA 0.420 4.761 4.340 0.001 0.000 0.289 69 L C -0.120 176.774 176.870 0.040 0.000 1.057 69 L CA -0.776 54.047 54.840 -0.027 0.000 0.811 69 L CB 0.425 42.410 42.059 -0.123 0.000 1.184 69 L HN 0.046 nan 8.230 nan 0.000 0.429 70 E N 6.663 126.893 120.200 0.050 0.000 2.376 70 E HA 0.159 4.509 4.350 0.001 0.000 0.266 70 E C -1.853 174.744 176.600 -0.006 0.000 1.009 70 E CA -1.414 55.006 56.400 0.033 0.000 0.902 70 E CB 1.127 30.838 29.700 0.019 0.000 0.972 70 E HN 0.483 nan 8.360 nan 0.000 0.439 71 P HA -0.204 nan 4.420 nan 0.000 0.215 71 P C 0.281 177.551 177.300 -0.049 0.000 1.157 71 P CA 1.531 64.621 63.100 -0.018 0.000 0.874 71 P CB 0.225 31.923 31.700 -0.003 0.000 0.790 72 E N -0.983 119.185 120.200 -0.053 0.000 2.160 72 E HA -0.182 4.169 4.350 0.001 0.000 0.195 72 E C 1.848 178.374 176.600 -0.123 0.000 0.991 72 E CA 0.777 57.129 56.400 -0.080 0.000 0.810 72 E CB -0.872 28.784 29.700 -0.074 0.000 0.742 72 E HN 0.145 nan 8.360 nan 0.000 0.466 73 L N 1.086 122.233 121.223 -0.127 0.000 2.072 73 L HA -0.096 4.245 4.340 0.001 0.000 0.205 73 L C 2.136 178.875 176.870 -0.219 0.000 1.079 73 L CA 1.813 56.541 54.840 -0.188 0.000 0.752 73 L CB -0.292 41.678 42.059 -0.148 0.000 0.906 73 L HN 0.066 nan 8.230 nan 0.000 0.436 74 E N -0.700 119.410 120.200 -0.150 0.000 2.110 74 E HA -0.242 4.109 4.350 0.001 0.000 0.193 74 E C 1.510 178.017 176.600 -0.157 0.000 0.988 74 E CA 1.470 57.782 56.400 -0.145 0.000 0.804 74 E CB 0.057 29.710 29.700 -0.079 0.000 0.745 74 E HN 0.570 nan 8.360 nan 0.000 0.458 75 D N 0.049 120.369 120.400 -0.133 0.000 2.123 75 D HA -0.106 4.535 4.640 0.001 0.000 0.200 75 D C 1.813 178.018 176.300 -0.159 0.000 0.976 75 D CA 1.247 55.176 54.000 -0.118 0.000 0.831 75 D CB -0.343 40.403 40.800 -0.090 0.000 0.974 75 D HN 0.253 nan 8.370 nan 0.000 0.469 76 A N 0.753 123.449 122.820 -0.208 0.000 1.933 76 A HA -0.132 4.189 4.320 0.001 0.000 0.218 76 A C 2.354 179.729 177.584 -0.348 0.000 1.175 76 A CA 0.876 52.761 52.037 -0.254 0.000 0.628 76 A CB -0.690 18.136 19.000 -0.290 0.000 0.814 76 A HN 0.184 nan 8.150 nan 0.000 0.444 77 I N -0.535 119.753 120.570 -0.470 0.000 2.202 77 I HA -0.263 3.908 4.170 0.001 0.000 0.242 77 I C 2.477 178.406 176.117 -0.313 0.000 1.091 77 I CA 1.544 62.443 61.300 -0.670 0.000 1.368 77 I CB -0.271 37.166 38.000 -0.939 0.000 1.058 77 I HN 0.263 nan 8.210 nan 0.000 0.410 78 K N 0.552 120.849 120.400 -0.172 0.000 2.057 78 K HA -0.178 4.143 4.320 0.001 0.000 0.207 78 K C 1.713 178.296 176.600 -0.028 0.000 1.049 78 K CA 1.562 57.823 56.287 -0.043 0.000 0.931 78 K CB -0.251 32.219 32.500 -0.050 0.000 0.714 78 K HN 0.306 nan 8.250 nan 0.000 0.440 79 D N 1.283 121.640 120.400 -0.072 0.000 2.117 79 D HA -0.150 4.491 4.640 0.001 0.000 0.197 79 D C 1.946 178.230 176.300 -0.028 0.000 0.987 79 D CA 0.705 54.679 54.000 -0.044 0.000 0.829 79 D CB -0.237 40.526 40.800 -0.061 0.000 0.961 79 D HN 0.086 nan 8.370 nan 0.000 0.460 80 L N 0.707 121.876 121.223 -0.089 0.000 1.994 80 L HA -0.196 4.145 4.340 0.001 0.000 0.208 80 L C 2.383 179.260 176.870 0.011 0.000 1.071 80 L CA 1.503 56.309 54.840 -0.057 0.000 0.745 80 L CB -0.321 41.632 42.059 -0.177 0.000 0.892 80 L HN 0.173 nan 8.230 nan 0.000 0.431 81 H N -0.842 118.267 119.070 0.064 0.000 2.489 81 H HA -0.075 4.482 4.556 0.001 0.000 0.293 81 H C 2.028 177.355 175.328 -0.001 0.000 1.066 81 H CA 1.104 57.159 56.048 0.012 0.000 1.305 81 H CB -0.295 29.454 29.762 -0.021 0.000 1.386 81 H HN 0.431 nan 8.280 nan 0.000 0.551 82 G N 0.062 108.928 108.800 0.110 0.000 2.394 82 G HA2 -0.159 3.802 3.960 0.001 0.000 0.215 82 G HA3 -0.159 3.802 3.960 0.001 0.000 0.215 82 G C 1.896 176.840 174.900 0.075 0.000 1.165 82 G CA 0.788 45.929 45.100 0.070 0.000 0.784 82 G HN 0.378 nan 8.290 nan 0.000 0.535 83 V N 0.425 120.394 119.914 0.093 0.000 2.379 83 V HA -0.060 4.061 4.120 0.001 0.000 0.245 83 V C 2.776 178.997 176.094 0.211 0.000 1.044 83 V CA 1.759 64.144 62.300 0.142 0.000 1.036 83 V CB -0.079 31.841 31.823 0.161 0.000 0.664 83 V HN 0.150 nan 8.190 nan 0.000 0.453 84 V N 1.076 121.058 119.914 0.114 0.000 2.871 84 V HA 0.249 4.370 4.120 0.001 0.000 0.256 84 V C 2.017 178.100 176.094 -0.019 0.000 1.082 84 V CA 1.183 63.441 62.300 -0.068 0.000 1.105 84 V CB -0.971 30.719 31.823 -0.222 0.000 0.713 84 V HN 0.871 nan 8.190 nan 0.000 0.473 85 G N 2.268 111.080 108.800 0.019 0.000 2.225 85 G HA2 -0.335 3.625 3.960 0.001 0.000 0.267 85 G HA3 -0.335 3.625 3.960 0.001 0.000 0.267 85 G C 0.586 175.447 174.900 -0.064 0.000 1.024 85 G CA 0.727 45.828 45.100 0.001 0.000 0.784 85 G HN 0.714 nan 8.290 nan 0.000 0.507 86 N N -0.233 118.387 118.700 -0.134 0.000 2.325 86 N HA 0.499 5.240 4.740 0.001 0.000 0.182 86 N C 0.611 176.080 175.510 -0.068 0.000 1.088 86 N CA 1.037 53.960 53.050 -0.212 0.000 0.879 86 N CB 0.348 38.477 38.487 -0.597 0.000 0.983 86 N HN 1.414 nan 8.380 nan 0.000 0.471 87 A N -0.343 122.430 122.820 -0.080 0.000 2.520 87 A HA 0.787 5.108 4.320 0.001 0.000 0.298 87 A C -1.094 176.429 177.584 -0.101 0.000 1.051 87 A CA -0.577 51.392 52.037 -0.114 0.000 0.690 87 A CB 1.209 20.018 19.000 -0.319 0.000 1.281 87 A HN 0.342 nan 8.150 nan 0.000 0.402 88 A N 1.156 123.939 122.820 -0.062 0.000 2.366 88 A HA 0.577 4.898 4.320 0.001 0.000 0.272 88 A C 1.029 178.593 177.584 -0.034 0.000 1.135 88 A CA 0.460 52.471 52.037 -0.043 0.000 0.804 88 A CB -0.155 18.818 19.000 -0.045 0.000 1.064 88 A HN 1.797 nan 8.150 nan 0.000 0.499 89 T N -0.924 113.616 114.554 -0.022 0.000 3.043 89 T HA 0.156 4.507 4.350 0.001 0.000 0.272 89 T C 0.336 175.016 174.700 -0.034 0.000 0.990 89 T CA 0.119 62.212 62.100 -0.012 0.000 0.897 89 T CB -0.134 68.743 68.868 0.014 0.000 1.111 89 T HN 0.762 nan 8.240 nan 0.000 0.529 90 E N 1.794 121.969 120.200 -0.040 0.000 2.319 90 E HA 0.195 4.546 4.350 0.001 0.000 0.268 90 E C -0.803 175.747 176.600 -0.083 0.000 1.050 90 E CA -0.309 56.056 56.400 -0.057 0.000 0.878 90 E CB 0.368 30.043 29.700 -0.043 0.000 1.066 90 E HN 0.080 nan 8.360 nan 0.000 0.406 91 D N 0.485 120.817 120.400 -0.114 0.000 2.723 91 D HA -0.215 4.426 4.640 0.001 0.000 0.236 91 D C -0.328 175.839 176.300 -0.221 0.000 1.138 91 D CA 1.455 55.366 54.000 -0.149 0.000 0.676 91 D CB -0.935 39.814 40.800 -0.086 0.000 1.069 91 D HN 0.714 nan 8.370 nan 0.000 0.430 92 R N -1.694 118.617 120.500 -0.315 0.000 2.716 92 R HA 0.568 4.908 4.340 0.001 0.000 0.271 92 R C -1.242 174.754 176.300 -0.507 0.000 1.028 92 R CA -0.951 54.924 56.100 -0.375 0.000 0.883 92 R CB 0.801 31.038 30.300 -0.105 0.000 1.250 92 R HN -0.107 nan 8.270 nan 0.000 0.465 93 Y N 0.794 121.117 120.300 0.038 0.000 2.342 93 Y HA 0.507 5.058 4.550 0.001 0.000 0.334 93 Y C 0.441 176.373 175.900 0.053 0.000 1.067 93 Y CA -0.867 57.251 58.100 0.031 0.000 1.128 93 Y CB 1.420 39.891 38.460 0.019 0.000 1.200 93 Y HN 0.281 nan 8.280 nan 0.000 0.464 94 I N 3.687 124.357 120.570 0.166 0.000 2.359 94 I HA 0.410 4.581 4.170 0.001 0.000 0.294 94 I C -0.925 175.262 176.117 0.118 0.000 0.987 94 I CA -0.916 60.476 61.300 0.153 0.000 1.225 94 I CB 1.261 39.317 38.000 0.093 0.000 1.366 94 I HN 0.256 nan 8.210 nan 0.000 0.466 95 V N 7.113 127.121 119.914 0.156 0.000 2.444 95 V HA 0.311 4.432 4.120 0.001 0.000 0.294 95 V C -0.112 176.092 176.094 0.184 0.000 1.022 95 V CA -0.747 61.605 62.300 0.086 0.000 0.850 95 V CB 2.152 34.031 31.823 0.093 0.000 0.992 95 V HN 0.488 nan 8.190 nan 0.000 0.426 96 V N 4.636 124.641 119.914 0.152 0.000 2.644 96 V HA 0.974 5.094 4.120 0.001 0.000 0.295 96 V C 0.469 176.775 176.094 0.353 0.000 1.053 96 V CA 0.547 63.012 62.300 0.275 0.000 0.987 96 V CB 1.554 33.513 31.823 0.226 0.000 1.006 96 V HN 1.048 nan 8.190 nan 0.000 0.472 97 G N 2.219 111.188 108.800 0.283 0.000 2.690 97 G HA2 0.459 4.420 3.960 0.001 0.000 0.293 97 G HA3 0.459 4.420 3.960 0.001 0.000 0.293 97 G C -0.220 174.777 174.900 0.162 0.000 1.399 97 G CA 0.032 45.266 45.100 0.223 0.000 0.890 97 G HN 1.138 nan 8.290 nan 0.000 0.485 98 T N -0.702 113.916 114.554 0.106 0.000 4.216 98 T HA 0.485 4.836 4.350 0.001 0.000 0.221 98 T C 1.072 175.830 174.700 0.097 0.000 0.939 98 T CA 0.838 62.990 62.100 0.087 0.000 1.218 98 T CB -0.901 67.994 68.868 0.045 0.000 1.266 98 T HN 2.423 nan 8.240 nan 0.000 0.917 99 G N 1.369 110.241 108.800 0.120 0.000 2.730 99 G HA2 -0.184 3.777 3.960 0.001 0.000 0.686 99 G HA3 -0.184 3.777 3.960 0.001 0.000 0.686 99 G C 0.605 175.558 174.900 0.088 0.000 1.343 99 G CA -0.097 45.065 45.100 0.104 0.000 0.826 99 G HN 1.036 nan 8.290 nan 0.000 0.582 100 S N -1.004 114.729 115.700 0.054 0.000 2.423 100 S HA -0.126 4.345 4.470 0.001 0.000 0.231 100 S C 2.643 177.277 174.600 0.057 0.000 1.014 100 S CA 2.614 60.831 58.200 0.029 0.000 0.965 100 S CB -0.465 62.721 63.200 -0.024 0.000 0.785 100 S HN 2.100 nan 8.310 nan 0.000 0.495 101 T N 0.433 115.031 114.554 0.073 0.000 2.759 101 T HA -0.201 4.149 4.350 0.001 0.000 0.269 101 T C 1.847 176.596 174.700 0.081 0.000 1.042 101 T CA 2.001 64.151 62.100 0.084 0.000 1.140 101 T CB -0.551 68.360 68.868 0.071 0.000 0.864 101 T HN 0.686 nan 8.240 nan 0.000 0.455 102 Q N -0.994 118.863 119.800 0.095 0.000 2.331 102 Q HA 0.051 4.392 4.340 0.001 0.000 0.203 102 Q C 2.049 178.123 176.000 0.124 0.000 0.944 102 Q CA 0.322 56.206 55.803 0.136 0.000 0.892 102 Q CB -0.030 28.794 28.738 0.143 0.000 0.983 102 Q HN 0.400 nan 8.270 nan 0.000 0.482 103 L N 0.445 121.723 121.223 0.092 0.000 2.156 103 L HA -0.132 4.209 4.340 0.001 0.000 0.208 103 L C 2.440 179.306 176.870 -0.006 0.000 1.095 103 L CA 1.044 55.924 54.840 0.067 0.000 0.770 103 L CB -1.418 40.687 42.059 0.077 0.000 0.914 103 L HN 0.447 nan 8.230 nan 0.000 0.439 104 C N -0.417 118.878 119.300 -0.008 0.000 2.453 104 C HA -0.163 4.298 4.460 0.001 0.000 0.277 104 C C 2.803 177.713 174.990 -0.133 0.000 1.262 104 C CA 0.583 59.566 59.018 -0.058 0.000 1.718 104 C CB -0.540 27.213 27.740 0.022 0.000 2.031 104 C HN 0.568 nan 8.230 nan 0.000 0.480 105 Q N 0.439 120.175 119.800 -0.106 0.000 2.170 105 Q HA -0.112 4.229 4.340 0.001 0.000 0.203 105 Q C 2.411 178.114 176.000 -0.495 0.000 0.976 105 Q CA 1.702 57.389 55.803 -0.193 0.000 0.858 105 Q CB -0.303 28.435 28.738 -0.000 0.000 0.907 105 Q HN 0.798 nan 8.270 nan 0.000 0.433 106 A N 1.037 123.563 122.820 -0.489 0.000 1.930 106 A HA -0.047 4.274 4.320 0.001 0.000 0.217 106 A C 2.259 179.663 177.584 -0.301 0.000 1.175 106 A CA 1.439 53.083 52.037 -0.655 0.000 0.627 106 A CB -0.554 18.365 19.000 -0.136 0.000 0.815 106 A HN 0.381 nan 8.150 nan 0.000 0.443 107 A N -0.645 122.060 122.820 -0.192 0.000 1.897 107 A HA 0.093 4.414 4.320 0.001 0.000 0.215 107 A C 2.186 179.671 177.584 -0.165 0.000 1.181 107 A CA 1.488 53.444 52.037 -0.134 0.000 0.620 107 A CB -0.822 18.103 19.000 -0.125 0.000 0.821 107 A HN 0.327 nan 8.150 nan 0.000 0.443 108 V N 0.068 119.841 119.914 -0.236 0.000 2.343 108 V HA -0.285 3.835 4.120 0.001 0.000 0.247 108 V C 2.546 178.520 176.094 -0.200 0.000 1.051 108 V CA 2.235 64.360 62.300 -0.292 0.000 1.036 108 V CB -0.991 30.547 31.823 -0.475 0.000 0.654 108 V HN 0.779 nan 8.190 nan 0.000 0.451 109 H N 0.773 119.694 119.070 -0.249 0.000 2.290 109 H HA -0.188 4.369 4.556 0.001 0.000 0.298 109 H C 2.280 177.589 175.328 -0.032 0.000 1.087 109 H CA 2.319 58.313 56.048 -0.090 0.000 1.291 109 H CB -0.166 29.429 29.762 -0.278 0.000 1.369 109 H HN 0.376 nan 8.280 nan 0.000 0.492 110 A N 1.430 124.309 122.820 0.099 0.000 1.851 110 A HA -0.143 4.178 4.320 0.001 0.000 0.216 110 A C 3.017 180.592 177.584 -0.015 0.000 1.195 110 A CA 1.694 53.779 52.037 0.081 0.000 0.622 110 A CB -1.117 17.918 19.000 0.058 0.000 0.831 110 A HN 0.446 nan 8.150 nan 0.000 0.444 111 L N -0.251 120.939 121.223 -0.054 0.000 2.079 111 L HA -0.203 4.138 4.340 0.001 0.000 0.210 111 L C 2.841 179.671 176.870 -0.067 0.000 1.081 111 L CA 1.597 56.393 54.840 -0.073 0.000 0.752 111 L CB -0.470 41.520 42.059 -0.116 0.000 0.896 111 L HN 0.355 nan 8.230 nan 0.000 0.433 112 S N -1.091 114.571 115.700 -0.064 0.000 2.383 112 S HA -0.175 4.296 4.470 0.001 0.000 0.227 112 S C 2.171 176.732 174.600 -0.064 0.000 1.026 112 S CA 1.423 59.602 58.200 -0.035 0.000 0.981 112 S CB -0.133 63.099 63.200 0.053 0.000 0.818 112 S HN 0.410 nan 8.310 nan 0.000 0.472 113 S N 1.070 116.707 115.700 -0.105 0.000 2.399 113 S HA 0.068 4.539 4.470 0.001 0.000 0.231 113 S C 1.535 176.115 174.600 -0.033 0.000 1.022 113 S CA 0.776 58.924 58.200 -0.087 0.000 0.983 113 S CB -0.287 62.869 63.200 -0.073 0.000 0.803 113 S HN 0.458 nan 8.310 nan 0.000 0.480 114 L N 0.944 122.151 121.223 -0.026 0.000 2.529 114 L HA 0.368 4.709 4.340 0.001 0.000 0.223 114 L C 1.267 178.125 176.870 -0.021 0.000 1.113 114 L CA -0.072 54.758 54.840 -0.016 0.000 0.861 114 L CB -0.508 41.543 42.059 -0.013 0.000 1.012 114 L HN 0.252 nan 8.230 nan 0.000 0.461 115 A N 1.179 123.982 122.820 -0.028 0.000 2.429 115 A HA 0.066 4.387 4.320 0.001 0.000 0.242 115 A C 1.502 179.078 177.584 -0.014 0.000 1.088 115 A CA -0.074 51.948 52.037 -0.024 0.000 0.784 115 A CB 0.187 19.174 19.000 -0.022 0.000 1.038 115 A HN 0.458 nan 8.150 nan 0.000 0.501 116 R N -0.269 120.226 120.500 -0.008 0.000 2.276 116 R HA 0.101 4.442 4.340 0.001 0.000 0.196 116 R C -0.089 176.209 176.300 -0.002 0.000 0.961 116 R CA 0.980 57.078 56.100 -0.004 0.000 1.024 116 R CB -0.306 29.994 30.300 -0.000 0.000 0.940 116 R HN 0.810 nan 8.270 nan 0.000 0.480 117 S N -0.211 115.489 115.700 -0.001 0.000 2.537 117 S HA 0.369 4.840 4.470 0.001 0.000 0.271 117 S C -1.285 173.315 174.600 0.001 0.000 1.148 117 S CA -1.074 57.126 58.200 0.000 0.000 0.868 117 S CB 2.305 65.508 63.200 0.006 0.000 1.115 117 S HN 0.221 nan 8.310 nan 0.000 0.461 118 Q N 1.116 120.912 119.800 -0.007 0.000 2.399 118 Q HA 0.661 5.002 4.340 0.001 0.000 0.276 118 Q C -2.650 173.344 176.000 -0.010 0.000 1.098 118 Q CA -2.186 53.611 55.803 -0.011 0.000 0.827 118 Q CB 1.599 30.315 28.738 -0.036 0.000 1.386 118 Q HN 0.636 nan 8.270 nan 0.000 0.443 119 P HA 0.137 nan 4.420 nan 0.000 0.280 119 P C -0.746 176.580 177.300 0.043 0.000 1.244 119 P CA -0.255 62.845 63.100 0.000 0.000 0.784 119 P CB 0.819 32.514 31.700 -0.008 0.000 0.913 120 V N 2.419 122.373 119.914 0.067 0.000 2.614 120 V HA 0.079 4.200 4.120 0.001 0.000 0.291 120 V C 0.993 177.145 176.094 0.097 0.000 1.049 120 V CA -0.051 62.296 62.300 0.078 0.000 1.038 120 V CB 0.862 32.717 31.823 0.053 0.000 0.980 120 V HN 0.611 nan 8.190 nan 0.000 0.481 121 S N 3.321 119.079 115.700 0.097 0.000 2.545 121 S HA 0.460 4.931 4.470 0.001 0.000 0.275 121 S C -0.240 174.296 174.600 -0.108 0.000 1.299 121 S CA -0.436 57.784 58.200 0.034 0.000 1.048 121 S CB 1.165 64.454 63.200 0.148 0.000 0.938 121 S HN 0.493 nan 8.310 nan 0.000 0.496 122 V N 4.602 124.392 119.914 -0.208 0.000 2.448 122 V HA 0.676 4.796 4.120 0.001 0.000 0.295 122 V C -0.064 175.645 176.094 -0.642 0.000 1.025 122 V CA -0.640 61.481 62.300 -0.299 0.000 0.859 122 V CB 1.340 33.093 31.823 -0.117 0.000 0.988 122 V HN 0.745 nan 8.190 nan 0.000 0.431 123 V N 1.401 120.900 119.914 -0.692 0.000 3.130 123 V HA 1.101 5.222 4.120 0.001 0.000 0.310 123 V C -0.418 175.329 176.094 -0.580 0.000 1.158 123 V CA -0.928 60.829 62.300 -0.904 0.000 1.029 123 V CB 1.973 33.211 31.823 -0.975 0.000 1.057 123 V HN 1.353 nan 8.190 nan 0.000 0.436 124 A N 1.000 123.544 122.820 -0.460 0.000 2.517 124 A HA 0.945 5.265 4.320 0.001 0.000 0.297 124 A C -0.142 177.478 177.584 0.061 0.000 1.050 124 A CA -0.275 51.687 52.037 -0.126 0.000 0.694 124 A CB 1.287 20.355 19.000 0.113 0.000 1.277 124 A HN 2.496 nan 8.150 nan 0.000 0.400 125 A N 1.146 123.942 122.820 -0.041 0.000 2.546 125 A HA 0.545 4.866 4.320 0.001 0.000 0.243 125 A C 0.771 178.487 177.584 0.220 0.000 1.063 125 A CA 0.596 52.578 52.037 -0.090 0.000 0.757 125 A CB -0.178 18.606 19.000 -0.360 0.000 0.991 125 A HN 2.330 nan 8.150 nan 0.000 0.503 126 A N 4.658 127.654 122.820 0.293 0.000 2.327 126 A HA 0.686 5.007 4.320 0.001 0.000 0.283 126 A C -1.985 175.664 177.584 0.107 0.000 1.127 126 A CA -1.533 50.571 52.037 0.112 0.000 0.810 126 A CB -0.014 19.033 19.000 0.079 0.000 1.066 126 A HN 0.742 nan 8.150 nan 0.000 0.492 127 P HA 0.479 nan 4.420 nan 0.000 0.275 127 P C -1.099 176.060 177.300 -0.235 0.000 1.228 127 P CA 0.107 63.007 63.100 -0.334 0.000 0.786 127 P CB 0.625 32.058 31.700 -0.446 0.000 0.927 128 F N -0.185 119.765 119.950 -0.001 0.000 2.631 128 F HA 0.464 4.992 4.527 0.002 0.000 0.328 128 F C -0.447 175.355 175.800 0.004 0.000 1.067 128 F CA -2.377 55.660 58.000 0.061 0.000 0.969 128 F CB -0.142 39.005 39.000 0.244 0.000 1.332 128 F HN 0.162 nan 8.300 nan 0.000 0.490 129 Y N 2.559 122.933 120.300 0.123 0.000 2.754 129 Y HA 0.175 4.725 4.550 0.001 0.000 0.349 129 Y C 1.797 177.638 175.900 -0.099 0.000 1.179 129 Y CA -0.230 57.734 58.100 -0.227 0.000 1.538 129 Y CB 0.219 38.236 38.460 -0.739 0.000 1.200 129 Y HN 0.813 nan 8.280 nan 0.000 0.522 130 S N 1.865 117.517 115.700 -0.080 0.000 2.407 130 S HA -0.249 4.222 4.470 0.001 0.000 0.235 130 S C 1.675 175.999 174.600 -0.461 0.000 1.036 130 S CA 1.981 60.100 58.200 -0.134 0.000 1.013 130 S CB -0.769 62.375 63.200 -0.093 0.000 0.820 130 S HN 0.736 nan 8.310 nan 0.000 0.476 131 T N 0.776 114.767 114.554 -0.939 0.000 3.007 131 T HA 0.010 4.361 4.350 0.001 0.000 0.270 131 T C 1.187 175.470 174.700 -0.695 0.000 1.107 131 T CA 1.090 62.648 62.100 -0.904 0.000 1.118 131 T CB -0.467 67.677 68.868 -1.206 0.000 0.889 131 T HN 0.476 nan 8.240 nan 0.000 0.506 132 Y N 1.291 121.144 120.300 -0.745 0.000 2.224 132 Y HA -0.097 4.454 4.550 0.001 0.000 0.289 132 Y C 2.542 177.916 175.900 -0.876 0.000 1.146 132 Y CA -0.425 57.304 58.100 -0.618 0.000 1.182 132 Y CB -1.197 36.956 38.460 -0.511 0.000 0.983 132 Y HN 0.069 nan 8.280 nan 0.000 0.524 133 V N 0.896 120.256 119.914 -0.923 0.000 2.261 133 V HA -0.286 3.834 4.120 0.001 0.000 0.246 133 V C 2.317 178.062 176.094 -0.582 0.000 1.047 133 V CA 2.274 63.874 62.300 -1.167 0.000 1.015 133 V CB -0.823 30.497 31.823 -0.837 0.000 0.642 133 V HN 0.412 nan 8.190 nan 0.000 0.446 134 E N 0.674 120.646 120.200 -0.380 0.000 2.077 134 E HA -0.287 4.064 4.350 0.001 0.000 0.193 134 E C 1.974 178.495 176.600 -0.132 0.000 0.989 134 E CA 1.542 57.812 56.400 -0.216 0.000 0.800 134 E CB -0.551 29.012 29.700 -0.229 0.000 0.746 134 E HN 0.706 nan 8.360 nan 0.000 0.452 135 E N 0.598 120.676 120.200 -0.204 0.000 2.171 135 E HA -0.136 4.215 4.350 0.001 0.000 0.197 135 E C 1.404 178.085 176.600 0.136 0.000 0.997 135 E CA 1.851 58.210 56.400 -0.070 0.000 0.810 135 E CB -0.099 29.549 29.700 -0.086 0.000 0.738 135 E HN 0.474 nan 8.360 nan 0.000 0.467 136 T N -3.312 111.252 114.554 0.016 0.000 3.176 136 T HA 0.205 4.555 4.350 0.001 0.000 0.263 136 T C 1.067 175.939 174.700 0.286 0.000 1.021 136 T CA -0.096 62.077 62.100 0.123 0.000 0.905 136 T CB 0.844 69.724 68.868 0.021 0.000 1.057 136 T HN -0.125 nan 8.240 nan 0.000 0.558 137 T N 0.227 114.922 114.554 0.236 0.000 3.105 137 T HA 0.154 4.504 4.350 0.001 0.000 0.257 137 T C 1.305 176.127 174.700 0.204 0.000 0.949 137 T CA 0.017 62.229 62.100 0.185 0.000 0.959 137 T CB -0.255 68.657 68.868 0.074 0.000 1.205 137 T HN 0.608 nan 8.240 nan 0.000 0.496 138 Y N 2.261 122.579 120.300 0.029 0.000 2.315 138 Y HA -0.042 4.509 4.550 0.002 0.000 0.288 138 Y C 2.021 177.945 175.900 0.039 0.000 1.154 138 Y CA 0.975 59.090 58.100 0.024 0.000 1.229 138 Y CB -0.677 37.790 38.460 0.011 0.000 0.980 138 Y HN 0.125 nan 8.280 nan 0.000 0.540 139 V N -1.288 118.359 119.914 -0.446 0.000 3.608 139 V HA 0.277 4.398 4.120 0.001 0.000 0.269 139 V C 0.779 176.775 176.094 -0.163 0.000 1.245 139 V CA -0.002 62.065 62.300 -0.389 0.000 1.138 139 V CB -0.834 30.695 31.823 -0.490 0.000 0.841 139 V HN 0.448 nan 8.190 nan 0.000 0.451 140 R N 0.668 121.115 120.500 -0.088 0.000 3.205 140 R HA -0.145 4.195 4.340 0.001 0.000 0.249 140 R C 0.296 176.517 176.300 -0.132 0.000 0.937 140 R CA 0.846 56.904 56.100 -0.070 0.000 0.641 140 R CB -2.239 28.034 30.300 -0.045 0.000 1.114 140 R HN 0.668 nan 8.270 nan 0.000 0.451 141 S N -0.751 114.811 115.700 -0.231 0.000 2.537 141 S HA 0.447 4.918 4.470 0.001 0.000 0.275 141 S C 1.494 175.852 174.600 -0.402 0.000 1.272 141 S CA 0.036 58.018 58.200 -0.364 0.000 1.050 141 S CB 1.531 64.364 63.200 -0.613 0.000 0.961 141 S HN 0.478 nan 8.310 nan 0.000 0.496 142 G N 3.877 112.514 108.800 -0.271 0.000 2.920 142 G HA2 0.024 3.985 3.960 0.001 0.000 0.208 142 G HA3 0.024 3.985 3.960 0.001 0.000 0.208 142 G C 1.080 175.843 174.900 -0.228 0.000 1.159 142 G CA -0.026 44.954 45.100 -0.200 0.000 0.784 142 G HN 0.738 nan 8.290 nan 0.000 0.535 143 M N -0.493 118.889 119.600 -0.364 0.000 2.319 143 M HA 0.174 4.655 4.480 0.001 0.000 0.265 143 M C 0.367 176.580 176.300 -0.146 0.000 1.068 143 M CA 0.821 55.963 55.300 -0.262 0.000 1.118 143 M CB -0.053 32.393 32.600 -0.256 0.000 1.395 143 M HN 0.442 nan 8.290 nan 0.000 0.435 144 Y N -2.694 117.587 120.300 -0.032 0.000 2.705 144 Y HA 0.738 5.289 4.550 0.002 0.000 0.332 144 Y C -1.059 174.849 175.900 0.013 0.000 1.221 144 Y CA -2.252 55.837 58.100 -0.019 0.000 1.059 144 Y CB 0.967 39.406 38.460 -0.034 0.000 1.298 144 Y HN -0.202 nan 8.280 nan 0.000 0.459 145 K N 1.063 121.632 120.400 0.281 0.000 2.550 145 K HA 0.156 4.477 4.320 0.001 0.000 0.252 145 K C -2.009 174.712 176.600 0.202 0.000 0.943 145 K CA -0.656 55.763 56.287 0.219 0.000 0.806 145 K CB 1.946 34.513 32.500 0.111 0.000 1.289 145 K HN 0.912 nan 8.250 nan 0.000 0.435 146 W N 5.784 127.112 121.300 0.046 0.000 2.446 146 W HA 0.073 4.734 4.660 0.001 0.000 0.316 146 W C -0.312 176.188 176.519 -0.032 0.000 1.376 146 W CA 0.257 57.578 57.345 -0.040 0.000 1.300 146 W CB 0.859 30.292 29.460 -0.044 0.000 1.351 146 W HN 0.702 nan 8.180 nan 0.000 0.530 147 E N 4.040 123.784 120.200 -0.760 0.000 2.501 147 E HA 0.181 4.532 4.350 0.001 0.000 0.201 147 E C 1.336 177.511 176.600 -0.708 0.000 1.016 147 E CA 0.520 56.600 56.400 -0.534 0.000 0.920 147 E CB 0.419 29.961 29.700 -0.262 0.000 1.023 147 E HN 0.816 nan 8.360 nan 0.000 0.474 148 G N 2.152 110.032 108.800 -1.533 0.000 2.539 148 G HA2 -0.294 3.667 3.960 0.001 0.000 0.256 148 G HA3 -0.294 3.667 3.960 0.001 0.000 0.256 148 G C -0.176 174.451 174.900 -0.456 0.000 1.233 148 G CA -0.112 44.517 45.100 -0.785 0.000 0.936 148 G HN 0.307 nan 8.290 nan 0.000 0.571 149 D N 1.393 121.839 120.400 0.077 0.000 2.648 149 D HA 0.338 4.979 4.640 0.001 0.000 0.229 149 D C 1.473 177.769 176.300 -0.007 0.000 1.119 149 D CA 1.140 55.239 54.000 0.164 0.000 0.850 149 D CB 0.865 41.818 40.800 0.255 0.000 1.169 149 D HN 1.078 nan 8.370 nan 0.000 0.489 150 A N 4.625 127.389 122.820 -0.094 0.000 1.975 150 A HA -0.085 4.235 4.320 0.001 0.000 0.215 150 A C 0.876 178.446 177.584 -0.024 0.000 1.170 150 A CA -0.117 51.808 52.037 -0.187 0.000 0.656 150 A CB -0.463 18.333 19.000 -0.339 0.000 0.821 150 A HN 0.728 nan 8.150 nan 0.000 0.449 151 W N 0.454 121.780 121.300 0.043 0.000 2.812 151 W HA 0.319 4.980 4.660 0.002 0.000 0.366 151 W C 1.399 177.944 176.519 0.044 0.000 1.373 151 W CA 1.036 58.406 57.345 0.042 0.000 1.374 151 W CB -0.157 29.326 29.460 0.039 0.000 1.500 151 W HN 0.602 nan 8.180 nan 0.000 0.568 152 G N 3.088 112.074 108.800 0.310 0.000 2.176 152 G HA2 -0.343 3.618 3.960 0.001 0.000 0.232 152 G HA3 -0.343 3.618 3.960 0.001 0.000 0.232 152 G C -0.165 174.789 174.900 0.090 0.000 0.986 152 G CA -0.508 44.693 45.100 0.167 0.000 0.643 152 G HN 0.464 nan 8.290 nan 0.000 0.522 153 F N 2.765 122.682 119.950 -0.056 0.000 2.504 153 F HA 0.472 4.999 4.527 0.001 0.000 0.369 153 F C 0.869 176.561 175.800 -0.180 0.000 1.082 153 F CA 0.452 58.366 58.000 -0.143 0.000 1.216 153 F CB 0.793 39.657 39.000 -0.226 0.000 1.108 153 F HN 0.197 nan 8.300 nan 0.000 0.554 154 D N 4.582 124.425 120.400 -0.929 0.000 2.740 154 D HA 0.046 4.686 4.640 0.001 0.000 0.305 154 D C -0.248 175.612 176.300 -0.733 0.000 1.583 154 D CA -0.430 53.165 54.000 -0.674 0.000 0.790 154 D CB -0.206 40.407 40.800 -0.312 0.000 1.187 154 D HN 0.442 nan 8.370 nan 0.000 0.447 155 K N 1.508 121.168 120.400 -1.233 0.000 2.276 155 K HA 0.088 4.409 4.320 0.001 0.000 0.259 155 K C 0.589 176.947 176.600 -0.403 0.000 1.001 155 K CA -0.266 55.616 56.287 -0.674 0.000 0.927 155 K CB 0.813 32.970 32.500 -0.571 0.000 0.969 155 K HN -0.002 nan 8.250 nan 0.000 0.490 156 K N 1.262 121.550 120.400 -0.186 0.000 2.118 156 K HA 0.631 4.952 4.320 0.001 0.000 0.254 156 K C 0.111 176.710 176.600 -0.002 0.000 0.961 156 K CA -0.363 55.873 56.287 -0.086 0.000 0.876 156 K CB 1.335 33.796 32.500 -0.065 0.000 1.077 156 K HN 0.791 nan 8.250 nan 0.000 0.440 157 G N 1.150 109.975 108.800 0.041 0.000 2.483 157 G HA2 -0.095 3.866 3.960 0.001 0.000 0.521 157 G HA3 -0.095 3.866 3.960 0.001 0.000 0.521 157 G C -2.905 172.088 174.900 0.155 0.000 1.278 157 G CA -1.039 44.106 45.100 0.076 0.000 0.965 157 G HN 0.524 nan 8.290 nan 0.000 0.504 158 P HA 0.551 nan 4.420 nan 0.000 0.269 158 P C -0.728 176.704 177.300 0.221 0.000 1.209 158 P CA 0.272 63.448 63.100 0.127 0.000 0.776 158 P CB 0.303 32.029 31.700 0.044 0.000 0.876 159 Y N -0.032 120.266 120.300 -0.005 0.000 2.609 159 Y HA 0.743 5.294 4.550 0.001 0.000 0.336 159 Y C -1.699 174.121 175.900 -0.133 0.000 1.129 159 Y CA -1.508 56.556 58.100 -0.061 0.000 1.040 159 Y CB 0.981 39.430 38.460 -0.018 0.000 1.310 159 Y HN 0.144 nan 8.280 nan 0.000 0.460 160 I N 2.383 122.833 120.570 -0.199 0.000 2.447 160 I HA 0.352 4.523 4.170 0.001 0.000 0.287 160 I C -0.935 175.019 176.117 -0.271 0.000 1.023 160 I CA -0.740 60.369 61.300 -0.318 0.000 1.083 160 I CB 2.067 39.908 38.000 -0.265 0.000 1.245 160 I HN 0.754 nan 8.210 nan 0.000 0.434 161 E N 7.226 127.245 120.200 -0.303 0.000 2.156 161 E HA 0.492 4.843 4.350 0.001 0.000 0.279 161 E C -1.379 174.996 176.600 -0.375 0.000 0.965 161 E CA -0.663 55.570 56.400 -0.278 0.000 0.789 161 E CB 1.254 30.852 29.700 -0.170 0.000 1.098 161 E HN 0.537 nan 8.360 nan 0.000 0.397 162 L N 4.799 125.792 121.223 -0.384 0.000 2.260 162 L HA 0.355 4.696 4.340 0.001 0.000 0.289 162 L C -0.748 175.938 176.870 -0.307 0.000 1.057 162 L CA -0.908 53.676 54.840 -0.428 0.000 0.811 162 L CB 1.211 42.890 42.059 -0.634 0.000 1.184 162 L HN 0.367 nan 8.230 nan 0.000 0.429 163 V N 2.637 122.326 119.914 -0.375 0.000 2.334 163 V HA 0.267 4.388 4.120 0.001 0.000 0.281 163 V C 0.183 176.150 176.094 -0.212 0.000 1.016 163 V CA -0.363 61.767 62.300 -0.283 0.000 0.832 163 V CB 1.627 33.228 31.823 -0.370 0.000 0.999 163 V HN 0.732 nan 8.190 nan 0.000 0.439 164 T N 3.523 118.045 114.554 -0.054 0.000 2.743 164 T HA 0.486 4.837 4.350 0.001 0.000 0.292 164 T C -0.018 174.686 174.700 0.007 0.000 0.972 164 T CA -0.297 61.790 62.100 -0.021 0.000 0.967 164 T CB 1.111 70.013 68.868 0.056 0.000 0.926 164 T HN 0.618 nan 8.240 nan 0.000 0.459 165 S N 4.269 119.996 115.700 0.045 0.000 2.720 165 S HA 0.501 4.972 4.470 0.001 0.000 0.278 165 S C -2.986 171.769 174.600 0.258 0.000 1.172 165 S CA -1.459 56.823 58.200 0.138 0.000 1.019 165 S CB 1.013 64.293 63.200 0.134 0.000 1.049 165 S HN 0.233 nan 8.310 nan 0.000 0.483 166 P HA 0.114 nan 4.420 nan 0.000 0.266 166 P C -0.363 177.000 177.300 0.106 0.000 1.195 166 P CA 0.019 63.200 63.100 0.135 0.000 0.768 166 P CB 0.303 32.067 31.700 0.106 0.000 0.838 167 N N 2.637 121.359 118.700 0.036 0.000 2.444 167 N HA 0.054 4.795 4.740 0.001 0.000 0.255 167 N C -0.312 175.148 175.510 -0.083 0.000 1.255 167 N CA 0.164 53.210 53.050 -0.007 0.000 0.933 167 N CB 0.142 38.615 38.487 -0.023 0.000 1.143 167 N HN 0.237 nan 8.380 nan 0.000 0.453 168 N N 1.044 119.663 118.700 -0.135 0.000 2.399 168 N HA 0.376 5.117 4.740 0.001 0.000 0.280 168 N C -2.310 173.029 175.510 -0.285 0.000 1.008 168 N CA -1.941 50.948 53.050 -0.268 0.000 0.894 168 N CB 2.077 40.350 38.487 -0.357 0.000 1.273 168 N HN 0.412 nan 8.380 nan 0.000 0.486 169 P HA 0.089 nan 4.420 nan 0.000 0.238 169 P C 0.250 177.297 177.300 -0.422 0.000 1.183 169 P CA 0.491 63.257 63.100 -0.556 0.000 0.813 169 P CB 0.449 31.735 31.700 -0.690 0.000 0.944 170 D N -0.425 119.616 120.400 -0.598 0.000 2.363 170 D HA 0.044 4.685 4.640 0.001 0.000 0.220 170 D C 1.526 177.893 176.300 0.112 0.000 0.994 170 D CA 0.886 54.717 54.000 -0.281 0.000 0.890 170 D CB -1.215 39.335 40.800 -0.417 0.000 0.906 170 D HN 0.201 nan 8.370 nan 0.000 0.530 171 G N -0.448 108.357 108.800 0.009 0.000 2.168 171 G HA2 -0.295 3.666 3.960 0.001 0.000 0.257 171 G HA3 -0.295 3.666 3.960 0.001 0.000 0.257 171 G C 0.338 175.254 174.900 0.026 0.000 0.997 171 G CA 0.567 45.657 45.100 -0.017 0.000 0.708 171 G HN 0.481 nan 8.290 nan 0.000 0.520 172 T N 1.742 116.366 114.554 0.117 0.000 2.919 172 T HA 0.448 4.799 4.350 0.001 0.000 0.302 172 T C 1.063 175.818 174.700 0.093 0.000 1.031 172 T CA -0.212 61.981 62.100 0.155 0.000 1.127 172 T CB 1.151 70.104 68.868 0.142 0.000 0.952 172 T HN 0.182 nan 8.240 nan 0.000 0.540 173 I N 4.051 124.680 120.570 0.099 0.000 2.533 173 I HA 0.244 4.415 4.170 0.001 0.000 0.284 173 I C 0.976 177.140 176.117 0.077 0.000 1.109 173 I CA 0.347 61.693 61.300 0.077 0.000 1.412 173 I CB 0.062 38.106 38.000 0.074 0.000 1.396 173 I HN 0.562 nan 8.210 nan 0.000 0.543 174 R N 4.555 125.091 120.500 0.061 0.000 2.930 174 R HA 0.780 5.121 4.340 0.001 0.000 0.257 174 R C -0.756 175.565 176.300 0.034 0.000 1.107 174 R CA -0.905 55.223 56.100 0.046 0.000 0.999 174 R CB 2.490 32.801 30.300 0.019 0.000 1.209 174 R HN 0.542 nan 8.270 nan 0.000 0.486 175 E N -0.373 119.829 120.200 0.002 0.000 2.454 175 E HA 0.171 4.522 4.350 0.001 0.000 0.279 175 E C -1.280 175.274 176.600 -0.078 0.000 1.029 175 E CA -0.756 55.643 56.400 -0.002 0.000 0.831 175 E CB 2.166 31.885 29.700 0.032 0.000 1.405 175 E HN 0.651 nan 8.360 nan 0.000 0.463 176 T N -1.250 113.261 114.554 -0.072 0.000 2.928 176 T HA 0.096 4.447 4.350 0.001 0.000 0.305 176 T C 1.038 175.642 174.700 -0.159 0.000 1.035 176 T CA -0.192 61.831 62.100 -0.128 0.000 1.145 176 T CB 0.510 69.335 68.868 -0.073 0.000 0.963 176 T HN 0.361 nan 8.240 nan 0.000 0.545 177 V N 0.728 120.469 119.914 -0.287 0.000 3.643 177 V HA 0.480 4.601 4.120 0.001 0.000 0.280 177 V C 0.558 176.525 176.094 -0.212 0.000 1.351 177 V CA 0.031 62.079 62.300 -0.419 0.000 1.073 177 V CB -0.272 30.834 31.823 -1.195 0.000 0.863 177 V HN 0.763 nan 8.190 nan 0.000 0.436 187 K N 0.379 120.429 120.400 -0.584 0.000 2.350 187 K HA 0.883 5.204 4.320 0.001 0.000 0.241 187 K C -0.657 175.705 176.600 -0.398 0.000 0.994 187 K CA -0.714 55.351 56.287 -0.370 0.000 0.839 187 K CB 2.369 34.710 32.500 -0.266 0.000 1.244 187 K HN 0.574 nan 8.250 nan 0.000 0.443 188 V N 1.673 121.404 119.914 -0.305 0.000 2.925 188 V HA 0.546 4.667 4.120 0.001 0.000 0.311 188 V C -0.586 175.277 176.094 -0.385 0.000 1.104 188 V CA -0.888 61.187 62.300 -0.376 0.000 0.954 188 V CB 2.354 33.945 31.823 -0.388 0.000 1.022 188 V HN 0.580 nan 8.190 nan 0.000 0.427 189 I N 3.143 123.413 120.570 -0.499 0.000 2.466 189 I HA 0.460 4.631 4.170 0.001 0.000 0.289 189 I C -0.949 174.777 176.117 -0.653 0.000 1.026 189 I CA -0.577 60.455 61.300 -0.446 0.000 1.078 189 I CB 1.831 39.621 38.000 -0.350 0.000 1.249 189 I HN 0.579 nan 8.210 nan 0.000 0.429 190 H N 4.628 123.413 119.070 -0.474 0.000 2.556 190 H HA 0.216 4.772 4.556 0.001 0.000 0.310 190 H C -1.009 173.789 175.328 -0.883 0.000 1.057 190 H CA -0.457 55.103 56.048 -0.814 0.000 1.264 190 H CB 1.855 30.961 29.762 -1.093 0.000 1.404 190 H HN 0.456 nan 8.280 nan 0.000 0.462 191 D N 4.018 124.038 120.400 -0.634 0.000 2.443 191 D HA 0.057 4.698 4.640 0.001 0.000 0.221 191 D C -0.443 175.579 176.300 -0.464 0.000 1.097 191 D CA -0.502 53.240 54.000 -0.430 0.000 0.865 191 D CB -0.006 40.718 40.800 -0.127 0.000 1.034 191 D HN 0.291 nan 8.370 nan 0.000 0.511 192 F N 2.358 122.078 119.950 -0.384 0.000 2.986 192 F HA 0.314 4.842 4.527 0.001 0.000 0.297 192 F C 1.774 177.494 175.800 -0.133 0.000 1.210 192 F CA -0.701 57.107 58.000 -0.319 0.000 1.346 192 F CB -0.055 38.608 39.000 -0.561 0.000 1.007 192 F HN 0.444 nan 8.300 nan 0.000 0.512 193 A N -0.545 122.266 122.820 -0.015 0.000 1.917 193 A HA -0.231 4.090 4.320 0.001 0.000 0.219 193 A C 1.310 178.871 177.584 -0.038 0.000 1.182 193 A CA 1.845 53.806 52.037 -0.127 0.000 0.633 193 A CB -0.884 17.800 19.000 -0.525 0.000 0.819 193 A HN 0.494 nan 8.150 nan 0.000 0.448 194 Y N -3.371 117.105 120.300 0.295 0.000 2.524 194 Y HA 0.220 4.771 4.550 0.002 0.000 0.266 194 Y C 0.511 176.674 175.900 0.439 0.000 1.180 194 Y CA -0.754 57.510 58.100 0.273 0.000 1.244 194 Y CB -0.205 38.192 38.460 -0.106 0.000 1.125 194 Y HN 0.386 nan 8.280 nan 0.000 0.524 195 Y N 0.723 121.203 120.300 0.299 0.000 2.724 195 Y HA 0.193 4.744 4.550 0.001 0.000 0.354 195 Y C -1.144 174.603 175.900 -0.255 0.000 1.270 195 Y CA -1.310 56.817 58.100 0.046 0.000 1.902 195 Y CB -0.952 37.457 38.460 -0.084 0.000 1.981 195 Y HN 0.073 nan 8.280 nan 0.000 0.428 196 W N 3.608 124.986 121.300 0.129 0.000 2.950 196 W HA 0.366 5.026 4.660 0.001 0.000 0.340 196 W C -1.618 174.820 176.519 -0.135 0.000 1.139 196 W CA -2.219 55.106 57.345 -0.033 0.000 1.188 196 W CB 1.033 30.693 29.460 0.333 0.000 1.426 196 W HN 0.061 nan 8.180 nan 0.000 0.531 197 P HA -0.295 nan 4.420 nan 0.000 0.217 197 P C 1.333 178.809 177.300 0.294 0.000 1.151 197 P CA 2.216 65.253 63.100 -0.105 0.000 0.849 197 P CB 0.006 31.258 31.700 -0.748 0.000 0.787 198 H N -3.481 115.665 119.070 0.126 0.000 2.555 198 H HA 0.036 4.592 4.556 0.001 0.000 0.269 198 H C 1.025 176.342 175.328 -0.019 0.000 0.988 198 H CA 0.893 56.977 56.048 0.059 0.000 1.178 198 H CB -0.929 28.791 29.762 -0.070 0.000 1.373 198 H HN 0.228 nan 8.280 nan 0.000 0.588 199 Y N 0.788 121.104 120.300 0.026 0.000 2.506 199 Y HA 0.257 4.807 4.550 0.001 0.000 0.287 199 Y C 1.157 177.033 175.900 -0.040 0.000 1.147 199 Y CA 0.587 58.687 58.100 -0.000 0.000 1.241 199 Y CB 0.467 38.936 38.460 0.014 0.000 1.279 199 Y HN 0.196 nan 8.280 nan 0.000 0.527 200 T N 1.219 115.853 114.554 0.134 0.000 2.868 200 T HA 0.404 4.755 4.350 0.001 0.000 0.306 200 T C -3.098 171.608 174.700 0.010 0.000 1.224 200 T CA -2.229 59.886 62.100 0.024 0.000 1.012 200 T CB 1.661 70.578 68.868 0.081 0.000 1.221 200 T HN -0.294 nan 8.240 nan 0.000 0.499 201 P HA 0.319 nan 4.420 nan 0.000 0.275 201 P C -0.444 176.840 177.300 -0.027 0.000 1.227 201 P CA -0.509 62.591 63.100 0.000 0.000 0.781 201 P CB 0.396 32.098 31.700 0.002 0.000 0.906 202 I N 3.771 124.278 120.570 -0.104 0.000 2.243 202 I HA 0.015 4.186 4.170 0.001 0.000 0.297 202 I C 1.927 178.064 176.117 0.033 0.000 1.161 202 I CA 0.303 61.508 61.300 -0.158 0.000 1.298 202 I CB -0.755 37.079 38.000 -0.277 0.000 1.475 202 I HN 0.436 nan 8.210 nan 0.000 0.561 203 T N 3.465 118.103 114.554 0.141 0.000 3.023 203 T HA 0.012 4.363 4.350 0.001 0.000 0.266 203 T C 0.792 175.567 174.700 0.126 0.000 1.093 203 T CA 0.288 62.478 62.100 0.150 0.000 1.129 203 T CB 0.150 69.103 68.868 0.141 0.000 0.899 203 T HN 0.684 nan 8.240 nan 0.000 0.491 204 R N -0.499 120.079 120.500 0.131 0.000 2.634 204 R HA 0.449 4.790 4.340 0.001 0.000 0.263 204 R C -1.257 175.074 176.300 0.053 0.000 1.060 204 R CA -1.147 54.992 56.100 0.066 0.000 0.898 204 R CB 1.026 31.338 30.300 0.021 0.000 1.253 204 R HN 0.054 nan 8.270 nan 0.000 0.461 205 R N 2.811 123.312 120.500 0.002 0.000 2.351 205 R HA 0.079 4.419 4.340 0.001 0.000 0.321 205 R C -0.481 175.774 176.300 -0.075 0.000 1.182 205 R CA -0.302 55.783 56.100 -0.024 0.000 1.011 205 R CB 0.657 30.941 30.300 -0.026 0.000 1.048 205 R HN 0.514 nan 8.270 nan 0.000 0.490 206 Q N 2.205 121.942 119.800 -0.106 0.000 2.369 206 Q HA -0.067 4.274 4.340 0.001 0.000 0.295 206 Q C -0.551 175.351 176.000 -0.163 0.000 1.075 206 Q CA 0.851 56.530 55.803 -0.207 0.000 0.941 206 Q CB 0.754 29.269 28.738 -0.371 0.000 1.260 206 Q HN 0.584 nan 8.270 nan 0.000 0.417 207 D N 1.116 121.328 120.400 -0.313 0.000 2.934 207 D HA 0.155 4.795 4.640 0.001 0.000 0.249 207 D C -1.004 175.087 176.300 -0.347 0.000 1.293 207 D CA -0.140 53.720 54.000 -0.233 0.000 0.812 207 D CB 0.080 40.773 40.800 -0.179 0.000 1.439 207 D HN 0.390 nan 8.370 nan 0.000 0.555 208 H N -0.126 118.937 119.070 -0.011 0.000 2.810 208 H HA 0.313 4.870 4.556 0.001 0.000 0.316 208 H C 0.519 175.879 175.328 0.053 0.000 1.426 208 H CA -0.549 55.499 56.048 0.000 0.000 1.413 208 H CB 1.192 30.901 29.762 -0.088 0.000 1.874 208 H HN 0.100 nan 8.280 nan 0.000 0.737 209 D N 0.235 120.771 120.400 0.228 0.000 2.149 209 D HA 0.060 4.701 4.640 0.001 0.000 0.201 209 D C 0.410 176.777 176.300 0.113 0.000 0.972 209 D CA 1.332 55.408 54.000 0.127 0.000 0.835 209 D CB 0.658 41.506 40.800 0.079 0.000 0.966 209 D HN 0.302 nan 8.370 nan 0.000 0.476 210 I N 0.913 121.556 120.570 0.121 0.000 2.503 210 I HA 0.224 4.395 4.170 0.001 0.000 0.282 210 I C -0.754 175.392 176.117 0.049 0.000 1.059 210 I CA -0.225 61.111 61.300 0.060 0.000 1.081 210 I CB 1.696 39.682 38.000 -0.024 0.000 1.210 210 I HN -0.356 nan 8.210 nan 0.000 0.450 211 M N 6.624 126.268 119.600 0.074 0.000 2.181 211 M HA 0.490 4.971 4.480 0.001 0.000 0.323 211 M C -1.256 174.997 176.300 -0.079 0.000 1.004 211 M CA -0.862 54.445 55.300 0.011 0.000 0.941 211 M CB 2.261 34.998 32.600 0.229 0.000 1.579 211 M HN 0.252 nan 8.290 nan 0.000 0.427 212 L N 3.710 124.754 121.223 -0.298 0.000 2.309 212 L HA 0.651 4.992 4.340 0.001 0.000 0.282 212 L C -1.030 175.541 176.870 -0.497 0.000 1.036 212 L CA 0.152 54.833 54.840 -0.265 0.000 0.806 212 L CB 0.949 42.887 42.059 -0.201 0.000 1.220 212 L HN 0.453 nan 8.230 nan 0.000 0.429 213 F N 0.205 120.009 119.950 -0.243 0.000 2.588 213 F HA 0.586 5.113 4.527 0.001 0.000 0.310 213 F C 0.240 175.687 175.800 -0.589 0.000 1.082 213 F CA -0.685 57.084 58.000 -0.385 0.000 0.929 213 F CB 2.407 41.081 39.000 -0.543 0.000 1.254 213 F HN 0.298 nan 8.300 nan 0.000 0.455 214 T N 2.454 116.933 114.554 -0.124 0.000 2.841 214 T HA 0.287 4.638 4.350 0.001 0.000 0.283 214 T C 0.342 175.037 174.700 -0.008 0.000 1.000 214 T CA -0.369 61.663 62.100 -0.112 0.000 0.977 214 T CB 0.618 69.453 68.868 -0.056 0.000 0.979 214 T HN 0.591 nan 8.240 nan 0.000 0.446 215 F N 3.405 123.302 119.950 -0.089 0.000 2.407 215 F HA 0.141 4.669 4.527 0.001 0.000 0.299 215 F C 1.436 177.240 175.800 0.006 0.000 1.097 215 F CA -0.049 57.960 58.000 0.015 0.000 1.422 215 F CB 0.251 39.317 39.000 0.109 0.000 1.067 215 F HN 0.506 nan 8.300 nan 0.000 0.539 219 T N -1.115 113.229 114.554 -0.351 0.000 3.022 219 T HA 0.416 4.767 4.350 0.001 0.000 0.250 219 T C 1.444 176.040 174.700 -0.174 0.000 1.060 219 T CA 0.861 62.750 62.100 -0.350 0.000 1.013 219 T CB 1.013 69.721 68.868 -0.266 0.000 0.982 219 T HN 0.937 nan 8.240 nan 0.000 0.508 220 G N 1.319 110.002 108.800 -0.194 0.000 2.175 220 G HA2 -0.221 3.740 3.960 0.001 0.000 0.244 220 G HA3 -0.221 3.740 3.960 0.001 0.000 0.244 220 G C -0.072 174.662 174.900 -0.278 0.000 0.982 220 G CA -0.009 45.081 45.100 -0.018 0.000 0.641 220 G HN 0.681 nan 8.290 nan 0.000 0.527 221 H N 0.736 119.465 119.070 -0.567 0.000 2.966 221 H HA 0.581 5.138 4.556 0.001 0.000 0.217 221 H C 1.844 176.943 175.328 -0.381 0.000 1.906 221 H CA 0.744 56.456 56.048 -0.561 0.000 1.351 221 H CB 0.320 29.536 29.762 -0.910 0.000 1.722 221 H HN 0.455 nan 8.280 nan 0.000 0.562 222 A N 0.947 123.684 122.820 -0.138 0.000 1.969 222 A HA -0.096 4.225 4.320 0.001 0.000 0.218 222 A C 2.618 180.200 177.584 -0.004 0.000 1.169 222 A CA 1.326 53.335 52.037 -0.047 0.000 0.635 222 A CB -0.654 18.335 19.000 -0.018 0.000 0.810 222 A HN 0.652 nan 8.150 nan 0.000 0.445 223 G N -0.954 107.839 108.800 -0.012 0.000 2.535 223 G HA2 -0.017 3.944 3.960 0.001 0.000 0.218 223 G HA3 -0.017 3.944 3.960 0.001 0.000 0.218 223 G C 1.450 176.379 174.900 0.048 0.000 1.122 223 G CA 1.074 46.181 45.100 0.012 0.000 0.769 223 G HN 0.486 nan 8.290 nan 0.000 0.549 224 S N 0.251 116.004 115.700 0.088 0.000 2.496 224 S HA 0.080 4.551 4.470 0.001 0.000 0.224 224 S C 0.903 175.589 174.600 0.142 0.000 0.996 224 S CA -0.312 57.977 58.200 0.147 0.000 0.927 224 S CB 0.078 63.453 63.200 0.293 0.000 0.774 224 S HN 0.385 nan 8.310 nan 0.000 0.524 225 R N 1.056 121.631 120.500 0.125 0.000 3.059 225 R HA -0.130 4.211 4.340 0.001 0.000 0.251 225 R C -1.129 175.260 176.300 0.149 0.000 0.886 225 R CA 0.517 56.684 56.100 0.112 0.000 0.634 225 R CB -2.201 28.143 30.300 0.073 0.000 1.282 225 R HN 0.317 nan 8.270 nan 0.000 0.487 226 I N -0.089 120.609 120.570 0.212 0.000 2.607 226 I HA 0.590 4.761 4.170 0.001 0.000 0.290 226 I C 0.779 177.051 176.117 0.259 0.000 1.129 226 I CA -0.266 61.181 61.300 0.244 0.000 1.042 226 I CB 2.378 40.535 38.000 0.260 0.000 1.242 226 I HN 0.429 nan 8.210 nan 0.000 0.421 227 G N 4.972 113.915 108.800 0.238 0.000 2.690 227 G HA2 0.720 4.681 3.960 0.001 0.000 0.291 227 G HA3 0.720 4.681 3.960 0.001 0.000 0.291 227 G C -2.364 172.722 174.900 0.310 0.000 1.403 227 G CA -0.586 44.600 45.100 0.142 0.000 0.864 227 G HN 0.610 nan 8.290 nan 0.000 0.480 228 W N -0.421 121.026 121.300 0.244 0.000 3.033 228 W HA 0.856 5.517 4.660 0.001 0.000 0.336 228 W C -0.482 176.195 176.519 0.263 0.000 1.173 228 W CA -1.594 55.887 57.345 0.226 0.000 1.185 228 W CB 1.628 31.216 29.460 0.214 0.000 1.425 228 W HN 0.893 nan 8.180 nan 0.000 0.536 229 A N 3.266 126.331 122.820 0.409 0.000 2.365 229 A HA 0.837 5.158 4.320 0.001 0.000 0.318 229 A C -1.545 176.240 177.584 0.336 0.000 1.091 229 A CA -1.059 51.148 52.037 0.284 0.000 0.763 229 A CB 1.104 20.201 19.000 0.160 0.000 1.248 229 A HN 0.798 nan 8.150 nan 0.000 0.442 230 L N 2.913 124.321 121.223 0.308 0.000 2.276 230 L HA 0.519 4.859 4.340 0.001 0.000 0.286 230 L C -0.923 176.052 176.870 0.176 0.000 1.024 230 L CA -0.696 54.294 54.840 0.250 0.000 0.826 230 L CB 1.250 43.463 42.059 0.257 0.000 1.211 230 L HN 0.431 nan 8.230 nan 0.000 0.422 231 V N 3.339 123.355 119.914 0.170 0.000 2.495 231 V HA 0.324 4.445 4.120 0.001 0.000 0.298 231 V C 0.524 176.723 176.094 0.176 0.000 1.031 231 V CA -0.743 61.654 62.300 0.162 0.000 0.871 231 V CB 2.010 33.934 31.823 0.170 0.000 0.988 231 V HN 0.681 nan 8.190 nan 0.000 0.432 232 K N 0.824 121.304 120.400 0.133 0.000 2.078 232 K HA 0.045 4.366 4.320 0.001 0.000 0.203 232 K C 0.680 177.392 176.600 0.187 0.000 1.043 232 K CA 0.394 56.747 56.287 0.111 0.000 0.960 232 K CB 0.099 32.638 32.500 0.066 0.000 0.761 232 K HN 0.725 nan 8.250 nan 0.000 0.448 233 D N 2.338 122.823 120.400 0.142 0.000 2.368 233 D HA -0.068 4.573 4.640 0.001 0.000 0.268 233 D C 0.755 177.137 176.300 0.137 0.000 1.298 233 D CA 0.474 54.548 54.000 0.122 0.000 0.938 233 D CB 0.912 41.749 40.800 0.062 0.000 1.101 233 D HN 0.040 nan 8.370 nan 0.000 0.509 234 K N 3.176 123.672 120.400 0.160 0.000 2.152 234 K HA -0.238 4.083 4.320 0.001 0.000 0.206 234 K C 1.293 177.822 176.600 -0.118 0.000 1.048 234 K CA 1.203 57.446 56.287 -0.073 0.000 0.933 234 K CB 0.210 32.664 32.500 -0.076 0.000 0.721 234 K HN 0.256 nan 8.250 nan 0.000 0.447 235 E N -0.029 120.154 120.200 -0.030 0.000 2.204 235 E HA -0.094 4.257 4.350 0.001 0.000 0.194 235 E C 1.699 178.292 176.600 -0.011 0.000 0.989 235 E CA 0.697 57.083 56.400 -0.023 0.000 0.824 235 E CB 0.195 29.894 29.700 -0.002 0.000 0.756 235 E HN 0.115 nan 8.360 nan 0.000 0.477 236 V N 0.271 120.187 119.914 0.002 0.000 2.283 236 V HA -0.184 3.937 4.120 0.001 0.000 0.243 236 V C 2.260 178.363 176.094 0.014 0.000 1.039 236 V CA 1.629 63.937 62.300 0.013 0.000 1.016 236 V CB -0.817 31.017 31.823 0.018 0.000 0.650 236 V HN 0.387 nan 8.190 nan 0.000 0.449 237 A N -0.096 122.727 122.820 0.005 0.000 1.940 237 A HA -0.316 4.005 4.320 0.001 0.000 0.219 237 A C 2.269 179.826 177.584 -0.045 0.000 1.176 237 A CA 2.469 54.502 52.037 -0.008 0.000 0.631 237 A CB -0.526 18.457 19.000 -0.028 0.000 0.814 237 A HN 0.519 nan 8.150 nan 0.000 0.446 238 K N -0.386 119.966 120.400 -0.080 0.000 2.057 238 K HA -0.127 4.194 4.320 0.001 0.000 0.207 238 K C 1.927 178.542 176.600 0.026 0.000 1.049 238 K CA 1.486 57.743 56.287 -0.049 0.000 0.931 238 K CB -0.017 32.447 32.500 -0.060 0.000 0.714 238 K HN 0.253 nan 8.250 nan 0.000 0.440 239 K N 0.022 120.451 120.400 0.048 0.000 2.155 239 K HA -0.050 4.270 4.320 0.001 0.000 0.203 239 K C 2.068 178.751 176.600 0.138 0.000 1.052 239 K CA 1.243 57.594 56.287 0.106 0.000 0.948 239 K CB -0.094 32.475 32.500 0.115 0.000 0.728 239 K HN 0.297 nan 8.250 nan 0.000 0.448 240 M N 0.338 119.998 119.600 0.100 0.000 2.132 240 M HA -0.141 4.340 4.480 0.001 0.000 0.263 240 M C 2.239 178.644 176.300 0.175 0.000 1.065 240 M CA 1.174 56.545 55.300 0.119 0.000 1.122 240 M CB -0.282 32.365 32.600 0.078 0.000 1.365 240 M HN -0.173 nan 8.290 nan 0.000 0.411 241 V N 0.546 120.531 119.914 0.118 0.000 2.295 241 V HA -0.263 3.858 4.120 0.001 0.000 0.246 241 V C 2.037 178.233 176.094 0.170 0.000 1.049 241 V CA 1.942 64.324 62.300 0.137 0.000 1.024 241 V CB -0.723 31.074 31.823 -0.042 0.000 0.648 241 V HN 0.483 nan 8.190 nan 0.000 0.447 242 E N -0.955 119.324 120.200 0.133 0.000 2.085 242 E HA -0.278 4.073 4.350 0.001 0.000 0.194 242 E C 2.089 178.729 176.600 0.066 0.000 0.994 242 E CA 1.810 58.281 56.400 0.118 0.000 0.801 242 E CB -0.296 29.476 29.700 0.119 0.000 0.743 242 E HN 0.773 nan 8.360 nan 0.000 0.453 243 Y N 1.367 121.631 120.300 -0.061 0.000 2.145 243 Y HA -0.218 4.333 4.550 0.001 0.000 0.286 243 Y C 1.985 177.808 175.900 -0.129 0.000 1.145 243 Y CA 1.557 59.539 58.100 -0.197 0.000 1.148 243 Y CB -0.129 38.171 38.460 -0.266 0.000 0.981 243 Y HN -0.059 nan 8.280 nan 0.000 0.507 244 I N -0.129 120.464 120.570 0.039 0.000 2.286 244 I HA -0.315 3.856 4.170 0.001 0.000 0.248 244 I C 2.267 178.196 176.117 -0.314 0.000 1.115 244 I CA 1.394 62.620 61.300 -0.124 0.000 1.392 244 I CB -0.414 37.613 38.000 0.045 0.000 1.065 244 I HN 0.294 nan 8.210 nan 0.000 0.418 245 I N 0.152 120.593 120.570 -0.217 0.000 2.163 245 I HA -0.276 3.895 4.170 0.001 0.000 0.243 245 I C 2.483 178.503 176.117 -0.162 0.000 1.085 245 I CA 1.375 62.566 61.300 -0.182 0.000 1.347 245 I CB -0.366 37.656 38.000 0.037 0.000 1.044 245 I HN 0.024 nan 8.210 nan 0.000 0.408 246 V N 0.569 120.377 119.914 -0.177 0.000 2.453 246 V HA -0.249 3.872 4.120 0.001 0.000 0.247 246 V C 2.130 178.075 176.094 -0.247 0.000 1.048 246 V CA 1.947 64.138 62.300 -0.182 0.000 1.049 246 V CB -0.884 30.834 31.823 -0.175 0.000 0.672 246 V HN 0.512 nan 8.190 nan 0.000 0.457 247 N N 0.130 118.593 118.700 -0.396 0.000 2.309 247 N HA -0.124 4.617 4.740 0.001 0.000 0.182 247 N C 1.195 176.566 175.510 -0.232 0.000 1.018 247 N CA 1.483 54.295 53.050 -0.397 0.000 0.876 247 N CB 0.240 38.323 38.487 -0.673 0.000 0.972 247 N HN 0.607 nan 8.380 nan 0.000 0.434 248 S N -1.158 114.407 115.700 -0.225 0.000 2.708 248 S HA 0.120 4.591 4.470 0.001 0.000 0.214 248 S C 0.336 174.826 174.600 -0.184 0.000 0.820 248 S CA -0.486 57.614 58.200 -0.167 0.000 1.439 248 S CB -1.143 61.967 63.200 -0.150 0.000 1.275 248 S HN 0.281 nan 8.310 nan 0.000 0.588 249 I N 2.048 122.486 120.570 -0.220 0.000 6.313 249 I HA -0.095 4.076 4.170 0.001 0.000 0.126 249 I C 0.990 176.885 176.117 -0.371 0.000 1.598 249 I CA 0.876 62.046 61.300 -0.216 0.000 2.457 249 I CB -2.084 35.864 38.000 -0.086 0.000 3.027 249 I HN 1.172 nan 8.210 nan 0.000 0.280 250 G N 0.352 108.651 108.800 -0.835 0.000 2.549 250 G HA2 0.086 4.047 3.960 0.001 0.000 0.404 250 G HA3 0.086 4.047 3.960 0.001 0.000 0.404 250 G C -0.752 173.783 174.900 -0.609 0.000 1.292 250 G CA -0.555 43.804 45.100 -1.233 0.000 0.935 250 G HN 0.558 nan 8.290 nan 0.000 0.512 251 V N -0.236 119.487 119.914 -0.319 0.000 2.914 251 V HA 0.731 4.852 4.120 0.001 0.000 0.314 251 V C 1.104 177.194 176.094 -0.006 0.000 1.084 251 V CA 0.023 62.276 62.300 -0.079 0.000 0.963 251 V CB 1.731 33.594 31.823 0.067 0.000 1.025 251 V HN 1.777 nan 8.190 nan 0.000 0.432 252 S N 1.705 117.406 115.700 0.002 0.000 2.629 252 S HA -0.012 4.459 4.470 0.001 0.000 0.302 252 S C 1.154 175.768 174.600 0.024 0.000 1.244 252 S CA -0.095 58.109 58.200 0.007 0.000 1.098 252 S CB 0.112 63.319 63.200 0.010 0.000 0.858 252 S HN 0.713 nan 8.310 nan 0.000 0.502 253 K N 3.535 123.946 120.400 0.018 0.000 2.057 253 K HA -0.106 4.215 4.320 0.001 0.000 0.207 253 K C 2.200 178.803 176.600 0.004 0.000 1.049 253 K CA 1.997 58.298 56.287 0.024 0.000 0.931 253 K CB -0.144 32.367 32.500 0.018 0.000 0.714 253 K HN 0.831 nan 8.250 nan 0.000 0.440 254 E N -0.347 119.850 120.200 -0.005 0.000 2.150 254 E HA -0.124 4.227 4.350 0.001 0.000 0.193 254 E C 1.925 178.516 176.600 -0.014 0.000 0.985 254 E CA 1.030 57.422 56.400 -0.013 0.000 0.814 254 E CB -0.403 29.290 29.700 -0.013 0.000 0.752 254 E HN 0.048 nan 8.360 nan 0.000 0.466 255 S N 1.188 116.890 115.700 0.002 0.000 2.368 255 S HA -0.151 4.320 4.470 0.001 0.000 0.225 255 S C 2.033 176.618 174.600 -0.026 0.000 1.030 255 S CA 1.253 59.462 58.200 0.014 0.000 0.999 255 S CB -0.097 63.131 63.200 0.047 0.000 0.844 255 S HN 0.336 nan 8.310 nan 0.000 0.459 256 Q N 0.203 119.991 119.800 -0.021 0.000 2.016 256 Q HA -0.068 4.272 4.340 0.001 0.000 0.200 256 Q C 2.310 178.249 176.000 -0.102 0.000 0.978 256 Q CA 1.413 57.184 55.803 -0.053 0.000 0.833 256 Q CB -0.469 28.267 28.738 -0.003 0.000 0.895 256 Q HN 0.364 nan 8.270 nan 0.000 0.427 257 V N 1.221 121.093 119.914 -0.069 0.000 2.392 257 V HA -0.301 3.820 4.120 0.001 0.000 0.249 257 V C 2.383 178.409 176.094 -0.113 0.000 1.059 257 V CA 2.138 64.391 62.300 -0.080 0.000 1.051 257 V CB -0.589 31.204 31.823 -0.050 0.000 0.658 257 V HN 0.318 nan 8.190 nan 0.000 0.455 258 R N -0.390 120.044 120.500 -0.111 0.000 2.057 258 R HA -0.127 4.213 4.340 0.001 0.000 0.229 258 R C 2.445 178.600 176.300 -0.242 0.000 1.136 258 R CA 1.865 57.883 56.100 -0.137 0.000 0.952 258 R CB -0.543 29.706 30.300 -0.084 0.000 0.848 258 R HN 0.494 nan 8.270 nan 0.000 0.430 259 T N 0.925 115.285 114.554 -0.322 0.000 2.685 259 T HA -0.225 4.126 4.350 0.001 0.000 0.268 259 T C 1.781 176.120 174.700 -0.601 0.000 1.034 259 T CA 1.621 63.276 62.100 -0.741 0.000 1.149 259 T CB -0.366 68.003 68.868 -0.831 0.000 0.860 259 T HN 0.487 nan 8.240 nan 0.000 0.449 260 A N 1.291 123.883 122.820 -0.380 0.000 1.902 260 A HA -0.102 4.219 4.320 0.001 0.000 0.217 260 A C 2.177 179.610 177.584 -0.252 0.000 1.181 260 A CA 2.025 53.880 52.037 -0.303 0.000 0.623 260 A CB -0.494 18.379 19.000 -0.212 0.000 0.818 260 A HN 0.376 nan 8.150 nan 0.000 0.443 261 K N 0.736 121.005 120.400 -0.219 0.000 1.991 261 K HA -0.146 4.175 4.320 0.001 0.000 0.212 261 K C 1.823 178.311 176.600 -0.185 0.000 1.049 261 K CA 2.052 58.237 56.287 -0.170 0.000 0.932 261 K CB -0.726 31.689 32.500 -0.142 0.000 0.717 261 K HN 0.624 nan 8.250 nan 0.000 0.441 262 I N -1.448 118.964 120.570 -0.264 0.000 2.315 262 I HA -0.160 4.011 4.170 0.001 0.000 0.248 262 I C 1.819 177.804 176.117 -0.220 0.000 1.117 262 I CA 1.350 62.474 61.300 -0.294 0.000 1.404 262 I CB -0.284 37.336 38.000 -0.635 0.000 1.071 262 I HN 0.065 nan 8.210 nan 0.000 0.419 263 L N 1.156 122.209 121.223 -0.282 0.000 2.127 263 L HA -0.186 4.154 4.340 0.001 0.000 0.211 263 L C 2.350 179.118 176.870 -0.171 0.000 1.089 263 L CA 1.269 55.961 54.840 -0.246 0.000 0.757 263 L CB -0.992 40.861 42.059 -0.343 0.000 0.899 263 L HN 0.422 nan 8.230 nan 0.000 0.434 264 N N -0.298 118.310 118.700 -0.153 0.000 2.135 264 N HA -0.118 4.622 4.740 0.001 0.000 0.186 264 N C 1.886 177.366 175.510 -0.049 0.000 1.027 264 N CA 1.135 54.125 53.050 -0.100 0.000 0.849 264 N CB -0.285 38.144 38.487 -0.097 0.000 1.002 264 N HN 0.091 nan 8.380 nan 0.000 0.425 265 V N 1.899 121.797 119.914 -0.026 0.000 2.407 265 V HA -0.162 3.958 4.120 0.001 0.000 0.248 265 V C 2.366 178.494 176.094 0.057 0.000 1.055 265 V CA 1.012 63.335 62.300 0.039 0.000 1.049 265 V CB -0.525 31.362 31.823 0.107 0.000 0.662 265 V HN 0.263 nan 8.190 nan 0.000 0.455 266 L N -0.210 121.034 121.223 0.035 0.000 2.201 266 L HA -0.124 4.217 4.340 0.001 0.000 0.212 266 L C 2.434 179.271 176.870 -0.054 0.000 1.105 266 L CA 1.784 56.593 54.840 -0.052 0.000 0.775 266 L CB -0.395 41.533 42.059 -0.218 0.000 0.913 266 L HN 0.210 nan 8.230 nan 0.000 0.440 267 K N -0.016 120.368 120.400 -0.027 0.000 2.076 267 K HA -0.153 4.168 4.320 0.001 0.000 0.204 267 K C 1.814 178.439 176.600 0.042 0.000 1.051 267 K CA 1.492 57.789 56.287 0.016 0.000 0.949 267 K CB 0.025 32.520 32.500 -0.008 0.000 0.726 267 K HN 0.463 nan 8.250 nan 0.000 0.443 268 E N -0.248 119.967 120.200 0.026 0.000 2.153 268 E HA -0.132 4.219 4.350 0.001 0.000 0.194 268 E C 1.734 178.364 176.600 0.050 0.000 0.988 268 E CA 1.239 57.659 56.400 0.032 0.000 0.811 268 E CB -0.019 29.692 29.700 0.020 0.000 0.746 268 E HN 0.178 nan 8.360 nan 0.000 0.466 269 T N -0.324 114.263 114.554 0.056 0.000 2.962 269 T HA -0.109 4.241 4.350 0.001 0.000 0.270 269 T C 1.612 176.381 174.700 0.115 0.000 1.088 269 T CA 0.659 62.804 62.100 0.076 0.000 1.127 269 T CB -0.215 68.700 68.868 0.078 0.000 0.883 269 T HN 0.301 nan 8.240 nan 0.000 0.493 270 C N 1.930 121.315 119.300 0.140 0.000 2.491 270 C HA 0.098 4.559 4.460 0.001 0.000 0.277 270 C C 1.935 177.023 174.990 0.165 0.000 1.455 270 C CA 0.309 59.463 59.018 0.227 0.000 1.758 270 C CB -1.021 26.905 27.740 0.311 0.000 1.745 270 C HN 0.654 nan 8.230 nan 0.000 0.558 271 K N -0.318 120.147 120.400 0.108 0.000 2.478 271 K HA 0.189 4.510 4.320 0.001 0.000 0.205 271 K C 0.256 176.894 176.600 0.064 0.000 1.033 271 K CA 0.115 56.445 56.287 0.073 0.000 1.091 271 K CB 0.376 32.908 32.500 0.052 0.000 0.844 271 K HN 0.181 nan 8.250 nan 0.000 0.507 272 S N 1.647 117.394 115.700 0.078 0.000 2.578 272 S HA 0.106 4.577 4.470 0.001 0.000 0.283 272 S C 0.618 175.263 174.600 0.075 0.000 1.195 272 S CA -0.629 57.611 58.200 0.066 0.000 1.050 272 S CB 1.242 64.481 63.200 0.065 0.000 1.012 272 S HN 0.451 nan 8.310 nan 0.000 0.511 273 E N 1.949 122.184 120.200 0.058 0.000 2.452 273 E HA 0.171 4.521 4.350 0.001 0.000 0.197 273 E C 0.509 177.144 176.600 0.059 0.000 1.022 273 E CA -0.198 56.238 56.400 0.059 0.000 0.890 273 E CB 0.101 29.826 29.700 0.043 0.000 0.918 273 E HN 0.386 nan 8.360 nan 0.000 0.496 274 S N 0.866 116.599 115.700 0.055 0.000 2.568 274 S HA -0.045 4.426 4.470 0.001 0.000 0.282 274 S C 0.810 175.456 174.600 0.077 0.000 1.338 274 S CA -0.184 58.048 58.200 0.053 0.000 1.045 274 S CB 1.140 64.364 63.200 0.040 0.000 0.873 274 S HN 0.280 nan 8.310 nan 0.000 0.516 275 E N 1.416 121.662 120.200 0.077 0.000 2.385 275 E HA 0.021 4.372 4.350 0.001 0.000 0.194 275 E C 1.588 178.284 176.600 0.161 0.000 1.013 275 E CA 0.779 57.238 56.400 0.099 0.000 0.866 275 E CB 0.142 29.882 29.700 0.067 0.000 0.832 275 E HN 0.683 nan 8.360 nan 0.000 0.500 276 S N -0.891 114.893 115.700 0.139 0.000 2.540 276 S HA 0.188 4.659 4.470 0.001 0.000 0.218 276 S C 1.349 175.997 174.600 0.080 0.000 0.977 276 S CA -0.324 57.971 58.200 0.158 0.000 0.918 276 S CB 0.364 63.617 63.200 0.087 0.000 0.806 276 S HN 0.062 nan 8.310 nan 0.000 0.496 277 E N 2.165 122.421 120.200 0.093 0.000 2.121 277 E HA 0.128 4.479 4.350 0.001 0.000 0.194 277 E C 0.285 176.975 176.600 0.150 0.000 0.940 277 E CA 0.011 56.451 56.400 0.068 0.000 0.884 277 E CB -0.344 29.380 29.700 0.041 0.000 0.874 277 E HN 0.457 nan 8.360 nan 0.000 0.471 278 N N 1.776 120.561 118.700 0.142 0.000 2.418 278 N HA -0.109 4.632 4.740 0.001 0.000 0.277 278 N C 0.761 176.342 175.510 0.117 0.000 1.317 278 N CA 0.044 53.189 53.050 0.158 0.000 0.922 278 N CB 0.109 38.711 38.487 0.192 0.000 1.194 278 N HN 0.049 nan 8.380 nan 0.000 0.485 279 F N 5.457 125.317 119.950 -0.149 0.000 2.043 279 F HA -0.227 4.301 4.527 0.002 0.000 0.297 279 F C 1.401 176.988 175.800 -0.355 0.000 1.121 279 F CA 1.676 59.354 58.000 -0.537 0.000 1.199 279 F CB -0.342 38.159 39.000 -0.830 0.000 0.968 279 F HN 0.538 nan 8.300 nan 0.000 0.478 280 F N 0.281 120.128 119.950 -0.173 0.000 2.161 280 F HA -0.231 4.297 4.527 0.001 0.000 0.300 280 F C 2.512 178.352 175.800 0.066 0.000 1.089 280 F CA 1.145 59.048 58.000 -0.161 0.000 1.282 280 F CB -0.456 38.566 39.000 0.036 0.000 1.010 280 F HN -0.077 nan 8.300 nan 0.000 0.485 281 K N 0.293 120.895 120.400 0.338 0.000 2.001 281 K HA -0.228 4.093 4.320 0.001 0.000 0.208 281 K C 2.078 178.696 176.600 0.030 0.000 1.048 281 K CA 1.579 58.006 56.287 0.233 0.000 0.932 281 K CB -1.019 31.620 32.500 0.232 0.000 0.715 281 K HN 0.308 nan 8.250 nan 0.000 0.437 282 Y N 0.901 121.110 120.300 -0.151 0.000 2.114 282 Y HA -0.243 4.309 4.550 0.002 0.000 0.282 282 Y C 2.053 177.776 175.900 -0.296 0.000 1.165 282 Y CA 2.383 60.352 58.100 -0.218 0.000 1.148 282 Y CB -0.839 37.463 38.460 -0.264 0.000 0.972 282 Y HN 0.154 nan 8.280 nan 0.000 0.504 283 G N 0.184 108.748 108.800 -0.392 0.000 2.459 283 G HA2 -0.293 3.668 3.960 0.001 0.000 0.217 283 G HA3 -0.293 3.668 3.960 0.001 0.000 0.217 283 G C 1.808 176.614 174.900 -0.157 0.000 1.183 283 G CA 1.009 45.892 45.100 -0.362 0.000 0.776 283 G HN 0.378 nan 8.290 nan 0.000 0.552 284 R N -0.070 120.408 120.500 -0.037 0.000 2.083 284 R HA -0.109 4.232 4.340 0.001 0.000 0.237 284 R C 2.566 178.802 176.300 -0.107 0.000 1.137 284 R CA 1.655 57.765 56.100 0.018 0.000 0.951 284 R CB -0.266 30.037 30.300 0.005 0.000 0.851 284 R HN 0.359 nan 8.270 nan 0.000 0.434 285 E N 0.548 120.634 120.200 -0.190 0.000 2.077 285 E HA -0.194 4.157 4.350 0.001 0.000 0.193 285 E C 1.875 178.302 176.600 -0.288 0.000 0.989 285 E CA 1.313 57.576 56.400 -0.228 0.000 0.800 285 E CB -0.113 29.455 29.700 -0.219 0.000 0.746 285 E HN 0.192 nan 8.360 nan 0.000 0.452 286 M N -0.828 118.533 119.600 -0.398 0.000 2.117 286 M HA -0.189 4.292 4.480 0.001 0.000 0.262 286 M C 1.796 177.927 176.300 -0.281 0.000 1.065 286 M CA 1.430 56.488 55.300 -0.403 0.000 1.114 286 M CB -0.053 32.208 32.600 -0.565 0.000 1.361 286 M HN 0.226 nan 8.290 nan 0.000 0.408 287 M N 0.505 119.986 119.600 -0.199 0.000 2.175 287 M HA -0.146 4.335 4.480 0.001 0.000 0.264 287 M C 1.991 178.178 176.300 -0.188 0.000 1.063 287 M CA 1.737 57.002 55.300 -0.058 0.000 1.119 287 M CB -0.632 32.043 32.600 0.125 0.000 1.377 287 M HN 0.185 nan 8.290 nan 0.000 0.415 288 K N -0.502 119.620 120.400 -0.463 0.000 2.025 288 K HA -0.181 4.139 4.320 0.001 0.000 0.207 288 K C 2.078 178.440 176.600 -0.395 0.000 1.049 288 K CA 1.417 57.170 56.287 -0.890 0.000 0.933 288 K CB -0.251 31.881 32.500 -0.613 0.000 0.714 288 K HN 0.305 nan 8.250 nan 0.000 0.438 289 N N 1.199 119.759 118.700 -0.234 0.000 2.043 289 N HA -0.190 4.551 4.740 0.001 0.000 0.193 289 N C 1.735 177.227 175.510 -0.031 0.000 1.037 289 N CA 1.558 54.541 53.050 -0.112 0.000 0.851 289 N CB -0.043 38.380 38.487 -0.107 0.000 1.027 289 N HN 0.206 nan 8.380 nan 0.000 0.422 290 R N -0.867 119.582 120.500 -0.086 0.000 2.103 290 R HA -0.166 4.175 4.340 0.001 0.000 0.242 290 R C 2.219 178.566 176.300 0.077 0.000 1.142 290 R CA 1.700 57.754 56.100 -0.077 0.000 0.960 290 R CB -0.459 29.451 30.300 -0.650 0.000 0.858 290 R HN 0.409 nan 8.270 nan 0.000 0.439 291 W N 1.134 122.402 121.300 -0.054 0.000 2.425 291 W HA -0.079 4.581 4.660 0.000 0.000 0.277 291 W C 2.010 178.577 176.519 0.081 0.000 1.231 291 W CA 0.836 58.217 57.345 0.060 0.000 1.248 291 W CB 0.148 29.649 29.460 0.069 0.000 1.117 291 W HN 0.185 nan 8.180 nan 0.000 0.568 292 E N -0.007 120.328 120.200 0.224 0.000 2.072 292 E HA -0.164 4.186 4.350 0.001 0.000 0.190 292 E C 1.929 178.607 176.600 0.130 0.000 0.982 292 E CA 1.035 57.532 56.400 0.162 0.000 0.803 292 E CB -0.109 29.635 29.700 0.073 0.000 0.755 292 E HN 0.265 nan 8.360 nan 0.000 0.453 293 K N 0.681 121.152 120.400 0.118 0.000 2.026 293 K HA -0.159 4.162 4.320 0.001 0.000 0.208 293 K C 2.238 178.864 176.600 0.043 0.000 1.048 293 K CA 0.923 57.256 56.287 0.076 0.000 0.929 293 K CB -0.218 32.344 32.500 0.103 0.000 0.713 293 K HN 0.024 nan 8.250 nan 0.000 0.439 294 L N 1.499 122.774 121.223 0.086 0.000 2.083 294 L HA -0.150 4.191 4.340 0.001 0.000 0.209 294 L C 2.255 179.155 176.870 0.049 0.000 1.083 294 L CA 1.631 56.478 54.840 0.012 0.000 0.752 294 L CB -0.319 41.732 42.059 -0.013 0.000 0.899 294 L HN -0.045 nan 8.230 nan 0.000 0.433 295 R N -0.182 120.406 120.500 0.146 0.000 2.091 295 R HA -0.135 4.205 4.340 0.001 0.000 0.238 295 R C 2.274 178.635 176.300 0.102 0.000 1.136 295 R CA 1.502 57.709 56.100 0.178 0.000 0.959 295 R CB -0.292 30.152 30.300 0.239 0.000 0.856 295 R HN 0.465 nan 8.270 nan 0.000 0.437 296 E N -0.334 119.908 120.200 0.069 0.000 2.012 296 E HA -0.187 4.164 4.350 0.001 0.000 0.197 296 E C 2.032 178.640 176.600 0.014 0.000 1.007 296 E CA 1.767 58.189 56.400 0.036 0.000 0.816 296 E CB -0.430 29.281 29.700 0.017 0.000 0.762 296 E HN 0.140 nan 8.360 nan 0.000 0.451 297 V N 1.454 121.356 119.914 -0.021 0.000 2.252 297 V HA -0.265 3.856 4.120 0.001 0.000 0.249 297 V C 2.657 178.754 176.094 0.004 0.000 1.056 297 V CA 1.780 64.051 62.300 -0.048 0.000 1.022 297 V CB -0.704 31.033 31.823 -0.143 0.000 0.641 297 V HN 0.079 nan 8.190 nan 0.000 0.445 298 V N -0.060 119.871 119.914 0.028 0.000 2.490 298 V HA -0.287 3.834 4.120 0.001 0.000 0.250 298 V C 2.409 178.556 176.094 0.087 0.000 1.061 298 V CA 2.246 64.603 62.300 0.095 0.000 1.064 298 V CB -0.801 31.085 31.823 0.105 0.000 0.670 298 V HN 0.576 nan 8.190 nan 0.000 0.461 299 K N 1.972 122.410 120.400 0.064 0.000 1.987 299 K HA -0.247 4.074 4.320 0.001 0.000 0.216 299 K C 1.979 178.597 176.600 0.030 0.000 1.051 299 K CA 2.380 58.697 56.287 0.050 0.000 0.942 299 K CB -0.473 32.054 32.500 0.045 0.000 0.722 299 K HN 0.715 nan 8.250 nan 0.000 0.444 300 E N 0.712 120.924 120.200 0.019 0.000 2.502 300 E HA 0.002 4.353 4.350 0.001 0.000 0.194 300 E C -0.116 176.480 176.600 -0.007 0.000 1.062 300 E CA 0.214 56.615 56.400 0.002 0.000 0.867 300 E CB -0.066 29.631 29.700 -0.004 0.000 0.888 300 E HN 0.308 nan 8.360 nan 0.000 0.510 301 S N 0.789 116.496 115.700 0.013 0.000 2.614 301 S HA 0.049 4.520 4.470 0.001 0.000 0.265 301 S C 0.497 175.049 174.600 -0.080 0.000 1.303 301 S CA -0.532 57.662 58.200 -0.011 0.000 1.000 301 S CB 1.277 64.551 63.200 0.123 0.000 0.935 301 S HN 0.050 nan 8.310 nan 0.000 0.551 302 D N 1.225 121.521 120.400 -0.173 0.000 2.216 302 D HA 0.121 4.762 4.640 0.001 0.000 0.208 302 D C 1.517 177.684 176.300 -0.222 0.000 0.960 302 D CA 1.253 55.149 54.000 -0.174 0.000 0.861 302 D CB -0.272 40.424 40.800 -0.174 0.000 0.985 302 D HN 0.673 nan 8.370 nan 0.000 0.493 303 A N -0.260 122.317 122.820 -0.404 0.000 2.419 303 A HA 0.230 4.551 4.320 0.001 0.000 0.233 303 A C 0.116 177.502 177.584 -0.330 0.000 1.217 303 A CA -0.394 51.411 52.037 -0.385 0.000 0.944 303 A CB 0.148 18.886 19.000 -0.437 0.000 1.025 303 A HN -0.068 nan 8.150 nan 0.000 0.524 304 F N 1.558 121.463 119.950 -0.075 0.000 2.399 304 F HA 0.489 5.017 4.527 0.001 0.000 0.342 304 F C 1.168 176.936 175.800 -0.053 0.000 1.106 304 F CA -0.187 57.766 58.000 -0.077 0.000 1.196 304 F CB 1.080 40.037 39.000 -0.071 0.000 1.163 304 F HN 0.107 nan 8.300 nan 0.000 0.547 305 T N 1.091 115.743 114.554 0.164 0.000 2.930 305 T HA 0.828 5.179 4.350 0.001 0.000 0.290 305 T C -1.349 173.420 174.700 0.115 0.000 1.052 305 T CA -0.814 61.342 62.100 0.094 0.000 1.017 305 T CB 1.840 70.729 68.868 0.035 0.000 1.137 305 T HN 0.378 nan 8.240 nan 0.000 0.511 306 L N 1.618 122.925 121.223 0.140 0.000 2.482 306 L HA 0.635 4.975 4.340 0.001 0.000 0.263 306 L C -2.542 174.431 176.870 0.172 0.000 0.957 306 L CA -1.874 53.096 54.840 0.217 0.000 0.836 306 L CB 1.778 44.010 42.059 0.288 0.000 1.324 306 L HN 0.633 nan 8.230 nan 0.000 0.406 307 P HA 0.230 nan 4.420 nan 0.000 0.268 307 P C -1.165 175.910 177.300 -0.375 0.000 1.205 307 P CA -0.141 62.922 63.100 -0.062 0.000 0.771 307 P CB 0.424 32.108 31.700 -0.026 0.000 0.858 308 K N 2.275 122.447 120.400 -0.379 0.000 2.159 308 K HA 0.380 4.701 4.320 0.001 0.000 0.266 308 K C -0.885 175.394 176.600 -0.535 0.000 0.975 308 K CA -0.473 55.595 56.287 -0.365 0.000 0.865 308 K CB 0.803 33.228 32.500 -0.125 0.000 1.087 308 K HN 0.383 nan 8.250 nan 0.000 0.446 309 Y N 2.790 123.069 120.300 -0.036 0.000 2.335 309 Y HA 0.263 4.814 4.550 0.002 0.000 0.338 309 Y C -1.795 174.071 175.900 -0.056 0.000 0.977 309 Y CA -2.771 55.289 58.100 -0.066 0.000 1.114 309 Y CB 0.612 38.977 38.460 -0.160 0.000 1.182 309 Y HN 0.499 nan 8.280 nan 0.000 0.463 310 P HA 0.057 nan 4.420 nan 0.000 0.272 310 P C -0.554 176.775 177.300 0.047 0.000 1.230 310 P CA -0.416 62.723 63.100 0.065 0.000 0.788 310 P CB 1.285 33.026 31.700 0.068 0.000 0.949 311 E N 0.091 120.312 120.200 0.035 0.000 2.349 311 E HA 0.512 4.863 4.350 0.001 0.000 0.265 311 E C -0.909 175.719 176.600 0.047 0.000 1.064 311 E CA -0.672 55.741 56.400 0.022 0.000 0.886 311 E CB 0.746 30.464 29.700 0.029 0.000 1.036 311 E HN 0.590 nan 8.360 nan 0.000 0.413 312 A N 3.145 125.995 122.820 0.050 0.000 2.594 312 A HA 0.450 4.770 4.320 0.001 0.000 0.291 312 A C -1.650 176.014 177.584 0.134 0.000 1.105 312 A CA -0.747 51.349 52.037 0.099 0.000 0.694 312 A CB 0.752 19.805 19.000 0.089 0.000 1.291 312 A HN 0.642 nan 8.150 nan 0.000 0.410 313 F N 0.867 120.837 119.950 0.034 0.000 2.412 313 F HA 0.490 5.017 4.527 0.001 0.000 0.348 313 F C 0.259 176.092 175.800 0.055 0.000 1.102 313 F CA -0.196 57.830 58.000 0.042 0.000 1.196 313 F CB 0.916 39.936 39.000 0.034 0.000 1.144 313 F HN 0.643 nan 8.300 nan 0.000 0.541 314 C N 8.353 127.310 119.300 -0.573 0.000 2.264 314 C HA 0.328 4.789 4.460 0.001 0.000 0.324 314 C C 1.115 175.812 174.990 -0.488 0.000 1.267 314 C CA -0.817 58.008 59.018 -0.321 0.000 1.618 314 C CB -0.681 27.011 27.740 -0.080 0.000 2.278 314 C HN 0.923 nan 8.230 nan 0.000 0.499 315 N N 2.590 121.216 118.700 -0.124 0.000 2.453 315 N HA -0.111 4.629 4.740 0.001 0.000 0.183 315 N C 1.002 176.478 175.510 -0.057 0.000 1.041 315 N CA 1.093 54.151 53.050 0.015 0.000 0.900 315 N CB -0.087 38.470 38.487 0.116 0.000 0.961 315 N HN 0.932 nan 8.380 nan 0.000 0.443 316 Y N 0.243 120.399 120.300 -0.239 0.000 2.177 316 Y HA 0.010 4.560 4.550 0.001 0.000 0.291 316 Y C 1.707 177.398 175.900 -0.348 0.000 1.117 316 Y CA 1.188 59.084 58.100 -0.340 0.000 1.114 316 Y CB -0.431 37.703 38.460 -0.543 0.000 1.017 316 Y HN -0.200 nan 8.280 nan 0.000 0.505 317 F N 0.268 120.099 119.950 -0.197 0.000 2.367 317 F HA 0.178 4.706 4.527 0.002 0.000 0.298 317 F C 2.201 177.841 175.800 -0.267 0.000 1.094 317 F CA 1.280 59.141 58.000 -0.232 0.000 1.409 317 F CB -0.602 38.338 39.000 -0.101 0.000 1.064 317 F HN 0.257 nan 8.300 nan 0.000 0.528 318 G N 0.415 109.078 108.800 -0.227 0.000 2.143 318 G HA2 -0.286 3.674 3.960 0.001 0.000 0.249 318 G HA3 -0.286 3.674 3.960 0.001 0.000 0.249 318 G C 0.366 175.041 174.900 -0.374 0.000 0.981 318 G CA 0.292 45.232 45.100 -0.267 0.000 0.665 318 G HN 0.398 nan 8.290 nan 0.000 0.528 319 K N -0.219 119.901 120.400 -0.467 0.000 2.346 319 K HA 0.714 5.035 4.320 0.001 0.000 0.238 319 K C -0.020 176.386 176.600 -0.324 0.000 1.039 319 K CA -0.216 55.934 56.287 -0.228 0.000 0.861 319 K CB 1.736 34.190 32.500 -0.078 0.000 1.278 319 K HN 0.454 nan 8.250 nan 0.000 0.460 320 S N 1.979 117.678 115.700 -0.000 0.000 2.433 320 S HA 0.607 5.078 4.470 0.001 0.000 0.310 320 S C -0.232 174.373 174.600 0.008 0.000 1.097 320 S CA -0.804 57.435 58.200 0.066 0.000 1.103 320 S CB -0.152 63.174 63.200 0.209 0.000 0.992 320 S HN 0.621 nan 8.310 nan 0.000 0.469 321 L N -0.276 120.931 121.223 -0.026 0.000 2.502 321 L HA 0.741 5.082 4.340 0.001 0.000 0.253 321 L C -0.656 176.151 176.870 -0.106 0.000 1.070 321 L CA -1.200 53.608 54.840 -0.053 0.000 0.871 321 L CB 1.133 43.147 42.059 -0.075 0.000 1.487 321 L HN 0.385 nan 8.230 nan 0.000 0.408 322 E N 1.052 121.140 120.200 -0.188 0.000 2.371 322 E HA 0.343 4.694 4.350 0.001 0.000 0.257 322 E C -0.655 175.533 176.600 -0.687 0.000 1.134 322 E CA -0.205 55.957 56.400 -0.396 0.000 0.919 322 E CB 1.426 30.851 29.700 -0.459 0.000 1.025 322 E HN 0.621 nan 8.360 nan 0.000 0.438 323 S N 0.811 116.089 115.700 -0.703 0.000 2.525 323 S HA 0.435 4.906 4.470 0.001 0.000 0.290 323 S C -0.652 173.317 174.600 -1.051 0.000 1.152 323 S CA -0.601 57.169 58.200 -0.717 0.000 1.072 323 S CB 0.386 63.256 63.200 -0.551 0.000 1.027 323 S HN 0.341 nan 8.310 nan 0.000 0.500 324 Y N 1.077 121.155 120.300 -0.370 0.000 2.662 324 Y HA 0.320 4.870 4.550 0.001 0.000 0.358 324 Y C -2.651 173.142 175.900 -0.178 0.000 1.041 324 Y CA -2.330 55.430 58.100 -0.568 0.000 1.184 324 Y CB 0.417 38.742 38.460 -0.224 0.000 1.114 324 Y HN 0.456 nan 8.280 nan 0.000 0.650 325 P HA -0.067 nan 4.420 nan 0.000 0.269 325 P C 0.557 177.985 177.300 0.214 0.000 1.211 325 P CA 0.393 63.494 63.100 0.001 0.000 0.781 325 P CB 1.035 32.709 31.700 -0.044 0.000 0.877 326 A N 0.997 123.658 122.820 -0.264 0.000 2.167 326 A HA 0.119 4.440 4.320 0.001 0.000 0.214 326 A C 0.132 177.345 177.584 -0.619 0.000 1.151 326 A CA 1.053 52.816 52.037 -0.457 0.000 0.735 326 A CB -0.750 17.709 19.000 -0.900 0.000 0.802 326 A HN 0.454 nan 8.150 nan 0.000 0.467 327 F N -1.345 118.578 119.950 -0.045 0.000 2.556 327 F HA 0.612 5.140 4.527 0.001 0.000 0.314 327 F C 0.196 176.151 175.800 0.259 0.000 1.106 327 F CA -0.986 57.038 58.000 0.040 0.000 0.911 327 F CB 1.935 40.915 39.000 -0.034 0.000 1.190 327 F HN -0.012 nan 8.300 nan 0.000 0.448 328 A N 2.994 126.040 122.820 0.377 0.000 2.253 328 A HA 0.213 4.534 4.320 0.001 0.000 0.316 328 A C -0.900 176.967 177.584 0.471 0.000 1.327 328 A CA -0.479 51.770 52.037 0.355 0.000 0.917 328 A CB 0.136 19.117 19.000 -0.031 0.000 1.162 328 A HN 0.977 nan 8.150 nan 0.000 0.535 329 W N 5.681 127.167 121.300 0.309 0.000 1.836 329 W HA 0.327 4.988 4.660 0.001 0.000 0.449 329 W C -0.914 175.741 176.519 0.227 0.000 0.787 329 W CA -0.684 56.805 57.345 0.240 0.000 1.729 329 W CB 0.261 29.869 29.460 0.246 0.000 1.802 329 W HN 0.587 nan 8.180 nan 0.000 0.257 330 L N 4.967 126.239 121.223 0.081 0.000 2.410 330 L HA 0.437 4.778 4.340 0.001 0.000 0.273 330 L C 0.533 177.231 176.870 -0.287 0.000 1.152 330 L CA 0.883 55.679 54.840 -0.073 0.000 0.855 330 L CB 0.645 42.645 42.059 -0.099 0.000 1.129 330 L HN 0.297 nan 8.230 nan 0.000 0.463 331 G N 1.977 110.623 108.800 -0.255 0.000 2.788 331 G HA2 0.641 4.602 3.960 0.001 0.000 0.293 331 G HA3 0.641 4.602 3.960 0.001 0.000 0.293 331 G C -1.296 173.490 174.900 -0.190 0.000 1.305 331 G CA -0.348 44.434 45.100 -0.531 0.000 1.005 331 G HN 0.609 nan 8.290 nan 0.000 0.496 332 T N -1.229 113.166 114.554 -0.266 0.000 3.105 332 T HA 0.368 4.719 4.350 0.001 0.000 0.321 332 T C 0.540 175.151 174.700 -0.149 0.000 1.135 332 T CA -0.551 61.484 62.100 -0.109 0.000 1.053 332 T CB 1.489 70.331 68.868 -0.044 0.000 1.133 332 T HN 0.374 nan 8.240 nan 0.000 0.463 333 K N 1.860 122.186 120.400 -0.124 0.000 2.217 333 K HA 0.111 4.432 4.320 0.001 0.000 0.202 333 K C 0.840 177.386 176.600 -0.090 0.000 1.051 333 K CA 0.755 56.985 56.287 -0.096 0.000 0.952 333 K CB 0.152 32.603 32.500 -0.083 0.000 0.736 333 K HN 0.628 nan 8.250 nan 0.000 0.453 334 E N 1.379 121.514 120.200 -0.109 0.000 2.409 334 E HA -0.018 4.333 4.350 0.001 0.000 0.257 334 E C -0.279 176.281 176.600 -0.067 0.000 1.150 334 E CA -0.028 56.318 56.400 -0.090 0.000 0.942 334 E CB 0.416 30.050 29.700 -0.110 0.000 0.979 334 E HN 0.036 nan 8.360 nan 0.000 0.447 335 E N 1.927 122.097 120.200 -0.049 0.000 2.122 335 E HA 0.091 4.441 4.350 0.001 0.000 0.288 335 E C -0.473 176.110 176.600 -0.027 0.000 1.260 335 E CA -0.080 56.301 56.400 -0.032 0.000 1.344 335 E CB -0.111 29.575 29.700 -0.023 0.000 1.337 335 E HN 0.434 nan 8.360 nan 0.000 0.484 336 T N -2.350 112.186 114.554 -0.031 0.000 2.924 336 T HA 0.292 4.642 4.350 0.001 0.000 0.291 336 T C -0.069 174.626 174.700 -0.009 0.000 1.045 336 T CA -1.036 61.054 62.100 -0.017 0.000 1.015 336 T CB 2.100 70.959 68.868 -0.016 0.000 1.103 336 T HN -0.149 nan 8.240 nan 0.000 0.496 337 D N 1.483 121.886 120.400 0.004 0.000 2.517 337 D HA 0.130 4.771 4.640 0.001 0.000 0.220 337 D C 1.128 177.436 176.300 0.013 0.000 1.158 337 D CA -0.780 53.226 54.000 0.009 0.000 0.992 337 D CB 0.155 40.964 40.800 0.016 0.000 1.058 337 D HN 0.457 nan 8.370 nan 0.000 0.516 338 L N 4.125 125.350 121.223 0.003 0.000 2.089 338 L HA -0.176 4.164 4.340 0.001 0.000 0.213 338 L C 2.142 179.022 176.870 0.016 0.000 1.079 338 L CA 1.591 56.440 54.840 0.015 0.000 0.758 338 L CB -0.645 41.402 42.059 -0.019 0.000 0.891 338 L HN 0.345 nan 8.230 nan 0.000 0.433 339 V N -1.502 118.417 119.914 0.008 0.000 2.343 339 V HA -0.291 3.830 4.120 0.001 0.000 0.247 339 V C 2.466 178.574 176.094 0.024 0.000 1.051 339 V CA 2.245 64.553 62.300 0.013 0.000 1.036 339 V CB -0.144 31.688 31.823 0.015 0.000 0.654 339 V HN 0.656 nan 8.190 nan 0.000 0.451 340 S N -0.389 115.328 115.700 0.028 0.000 2.355 340 S HA -0.142 4.329 4.470 0.001 0.000 0.222 340 S C 1.856 176.489 174.600 0.055 0.000 1.031 340 S CA 1.315 59.536 58.200 0.035 0.000 0.993 340 S CB -0.380 62.838 63.200 0.030 0.000 0.859 340 S HN 0.652 nan 8.310 nan 0.000 0.453 341 E N 1.085 121.322 120.200 0.062 0.000 2.097 341 E HA -0.119 4.232 4.350 0.001 0.000 0.196 341 E C 2.031 178.706 176.600 0.124 0.000 1.000 341 E CA 0.818 57.275 56.400 0.095 0.000 0.804 341 E CB -0.481 29.266 29.700 0.080 0.000 0.740 341 E HN 0.277 nan 8.360 nan 0.000 0.454 342 L N 0.485 121.756 121.223 0.080 0.000 2.141 342 L HA -0.100 4.241 4.340 0.001 0.000 0.209 342 L C 2.473 179.403 176.870 0.099 0.000 1.094 342 L CA 1.313 56.197 54.840 0.073 0.000 0.763 342 L CB -0.448 41.631 42.059 0.034 0.000 0.908 342 L HN -0.011 nan 8.230 nan 0.000 0.437 343 R N 0.001 120.545 120.500 0.072 0.000 2.092 343 R HA -0.117 4.224 4.340 0.001 0.000 0.231 343 R C 2.122 178.461 176.300 0.065 0.000 1.119 343 R CA 1.009 57.140 56.100 0.053 0.000 0.970 343 R CB -0.047 30.271 30.300 0.031 0.000 0.864 343 R HN 0.417 nan 8.270 nan 0.000 0.440 344 R N -1.493 119.062 120.500 0.093 0.000 2.323 344 R HA -0.005 4.336 4.340 0.001 0.000 0.198 344 R C 0.385 176.702 176.300 0.028 0.000 0.988 344 R CA 0.946 57.082 56.100 0.059 0.000 1.041 344 R CB -0.068 30.262 30.300 0.050 0.000 0.926 344 R HN 0.352 nan 8.270 nan 0.000 0.476 345 H N 1.386 120.469 119.070 0.022 0.000 2.581 345 H HA 0.242 4.799 4.556 0.002 0.000 0.275 345 H C -0.466 174.878 175.328 0.026 0.000 1.126 345 H CA -0.402 55.661 56.048 0.026 0.000 1.097 345 H CB 0.539 30.321 29.762 0.033 0.000 1.626 345 H HN 0.150 nan 8.280 nan 0.000 0.565 346 K N 0.686 121.140 120.400 0.090 0.000 3.239 346 K HA -0.118 4.203 4.320 0.001 0.000 0.270 346 K C -1.114 175.515 176.600 0.048 0.000 1.049 346 K CA 0.129 56.441 56.287 0.042 0.000 0.769 346 K CB -1.294 31.220 32.500 0.024 0.000 1.305 346 K HN -0.002 nan 8.250 nan 0.000 0.469 347 V N 2.192 122.141 119.914 0.058 0.000 2.488 347 V HA 0.313 4.434 4.120 0.001 0.000 0.293 347 V C 0.098 176.186 176.094 -0.009 0.000 1.027 347 V CA -0.804 61.523 62.300 0.044 0.000 0.862 347 V CB 1.580 33.479 31.823 0.127 0.000 1.008 347 V HN 0.202 nan 8.190 nan 0.000 0.428 348 M N 4.244 123.808 119.600 -0.061 0.000 2.211 348 M HA 0.622 5.102 4.480 0.001 0.000 0.356 348 M C 0.207 176.444 176.300 -0.104 0.000 1.216 348 M CA 0.289 55.544 55.300 -0.076 0.000 1.134 348 M CB 1.032 33.573 32.600 -0.098 0.000 1.564 348 M HN 0.779 nan 8.290 nan 0.000 0.463 349 S N 1.843 117.503 115.700 -0.066 0.000 2.596 349 S HA 0.731 5.202 4.470 0.001 0.000 0.270 349 S C -0.999 173.596 174.600 -0.008 0.000 1.155 349 S CA -1.184 56.984 58.200 -0.053 0.000 0.827 349 S CB 2.269 65.437 63.200 -0.053 0.000 1.130 349 S HN 0.654 nan 8.310 nan 0.000 0.467 350 R N 1.474 121.989 120.500 0.025 0.000 2.216 350 R HA 0.667 5.008 4.340 0.001 0.000 0.332 350 R C 0.305 176.652 176.300 0.078 0.000 1.056 350 R CA 0.041 56.167 56.100 0.044 0.000 0.901 350 R CB -0.116 30.207 30.300 0.038 0.000 1.039 350 R HN 0.984 nan 8.270 nan 0.000 0.456 351 A N 3.526 126.381 122.820 0.058 0.000 2.567 351 A HA 0.209 4.529 4.320 0.001 0.000 0.240 351 A C 1.401 179.058 177.584 0.121 0.000 1.053 351 A CA 0.558 52.635 52.037 0.067 0.000 0.755 351 A CB 0.007 19.036 19.000 0.048 0.000 0.978 351 A HN 0.972 nan 8.150 nan 0.000 0.507 352 G N 0.999 109.878 108.800 0.132 0.000 2.432 352 G HA2 -0.169 3.791 3.960 0.001 0.000 0.219 352 G HA3 -0.169 3.791 3.960 0.001 0.000 0.219 352 G C 1.060 176.060 174.900 0.166 0.000 1.135 352 G CA 0.964 46.211 45.100 0.245 0.000 0.767 352 G HN 0.882 nan 8.290 nan 0.000 0.550 353 E N 0.162 120.423 120.200 0.103 0.000 2.331 353 E HA -0.079 4.272 4.350 0.001 0.000 0.199 353 E C 2.505 179.152 176.600 0.078 0.000 1.008 353 E CA 0.251 56.700 56.400 0.080 0.000 0.843 353 E CB -0.041 29.700 29.700 0.069 0.000 0.761 353 E HN 0.357 nan 8.360 nan 0.000 0.507 354 R N -0.252 120.294 120.500 0.078 0.000 2.240 354 R HA 0.029 4.370 4.340 0.001 0.000 0.203 354 R C 1.347 177.697 176.300 0.082 0.000 1.011 354 R CA 0.539 56.683 56.100 0.073 0.000 1.007 354 R CB 0.164 30.490 30.300 0.043 0.000 0.911 354 R HN 0.198 nan 8.270 nan 0.000 0.468 355 C N 0.377 119.680 119.300 0.005 0.000 2.589 355 C HA 0.337 4.798 4.460 0.001 0.000 0.307 355 C C 1.193 175.775 174.990 -0.681 0.000 1.328 355 C CA -0.296 58.596 59.018 -0.209 0.000 1.742 355 C CB -0.575 27.066 27.740 -0.165 0.000 2.037 355 C HN 0.697 nan 8.230 nan 0.000 0.592 356 G N 1.713 110.289 108.800 -0.372 0.000 2.221 356 G HA2 -0.219 3.742 3.960 0.001 0.000 0.265 356 G HA3 -0.219 3.742 3.960 0.001 0.000 0.265 356 G C 0.205 175.002 174.900 -0.171 0.000 1.041 356 G CA 0.689 45.589 45.100 -0.333 0.000 0.807 356 G HN 0.590 nan 8.290 nan 0.000 0.502 357 S N -0.753 114.928 115.700 -0.031 0.000 3.012 357 S HA 0.749 5.219 4.470 0.001 0.000 0.254 357 S C -0.106 174.541 174.600 0.077 0.000 1.030 357 S CA 0.560 58.798 58.200 0.063 0.000 1.053 357 S CB 1.042 64.393 63.200 0.252 0.000 1.286 357 S HN 0.757 nan 8.310 nan 0.000 0.633 358 D N -0.536 119.926 120.400 0.104 0.000 2.533 358 D HA 0.399 5.040 4.640 0.001 0.000 0.247 358 D C -0.196 176.161 176.300 0.095 0.000 1.056 358 D CA -0.691 53.368 54.000 0.099 0.000 1.054 358 D CB 0.434 41.295 40.800 0.103 0.000 1.400 358 D HN 0.418 nan 8.370 nan 0.000 0.533 359 K N -0.588 119.848 120.400 0.060 0.000 2.519 359 K HA -0.048 4.273 4.320 0.001 0.000 0.196 359 K C 0.958 177.555 176.600 -0.004 0.000 1.041 359 K CA 0.762 57.067 56.287 0.030 0.000 0.954 359 K CB -0.044 32.469 32.500 0.022 0.000 0.774 359 K HN 0.324 nan 8.250 nan 0.000 0.480 360 K N -0.039 120.359 120.400 -0.004 0.000 2.426 360 K HA 0.040 4.361 4.320 0.001 0.000 0.193 360 K C -0.090 176.267 176.600 -0.405 0.000 1.028 360 K CA 0.378 56.575 56.287 -0.150 0.000 1.047 360 K CB 0.181 32.583 32.500 -0.163 0.000 0.821 360 K HN 0.192 nan 8.250 nan 0.000 0.513 361 H N -0.810 118.093 119.070 -0.279 0.000 2.731 361 H HA 0.462 5.018 4.556 0.001 0.000 0.368 361 H C -0.813 174.243 175.328 -0.454 0.000 1.168 361 H CA -1.069 54.625 56.048 -0.589 0.000 1.181 361 H CB 1.998 31.052 29.762 -1.179 0.000 1.743 361 H HN -0.142 nan 8.280 nan 0.000 0.547 362 V N -0.997 118.696 119.914 -0.368 0.000 3.120 362 V HA 0.555 4.676 4.120 0.001 0.000 0.303 362 V C -0.760 175.411 176.094 0.127 0.000 1.238 362 V CA -1.203 61.054 62.300 -0.070 0.000 1.008 362 V CB 2.205 34.000 31.823 -0.046 0.000 1.064 362 V HN 0.784 nan 8.190 nan 0.000 0.434 363 R N 1.928 122.603 120.500 0.291 0.000 2.265 363 R HA 0.771 5.112 4.340 0.001 0.000 0.328 363 R C -1.483 174.938 176.300 0.202 0.000 0.969 363 R CA -0.403 55.911 56.100 0.356 0.000 0.832 363 R CB 1.735 32.165 30.300 0.218 0.000 1.139 363 R HN 0.984 nan 8.270 nan 0.000 0.457 364 V N 4.201 124.231 119.914 0.192 0.000 2.417 364 V HA 0.293 4.414 4.120 0.001 0.000 0.291 364 V C -0.206 175.937 176.094 0.081 0.000 1.024 364 V CA -0.396 61.907 62.300 0.005 0.000 0.861 364 V CB 1.812 33.478 31.823 -0.262 0.000 0.985 364 V HN 0.915 nan 8.190 nan 0.000 0.436 365 S N 6.818 122.542 115.700 0.040 0.000 2.560 365 S HA 0.230 4.701 4.470 0.001 0.000 0.284 365 S C 0.684 175.148 174.600 -0.227 0.000 1.327 365 S CA -0.175 57.944 58.200 -0.135 0.000 1.055 365 S CB 0.519 63.669 63.200 -0.085 0.000 0.868 365 S HN 0.797 nan 8.310 nan 0.000 0.506 366 M N 4.520 123.933 119.600 -0.311 0.000 2.346 366 M HA 0.248 4.728 4.480 0.001 0.000 0.280 366 M C 0.068 176.184 176.300 -0.306 0.000 1.075 366 M CA 0.379 55.496 55.300 -0.304 0.000 0.989 366 M CB -0.172 32.257 32.600 -0.284 0.000 1.447 366 M HN 0.576 nan 8.290 nan 0.000 0.511 367 L N 0.406 121.487 121.223 -0.236 0.000 2.872 367 L HA 0.182 4.522 4.340 0.001 0.000 0.245 367 L C 1.186 177.995 176.870 -0.101 0.000 1.211 367 L CA -0.270 54.468 54.840 -0.170 0.000 1.013 367 L CB -0.137 41.881 42.059 -0.069 0.000 1.326 367 L HN 0.170 nan 8.230 nan 0.000 0.525 368 S N -0.606 115.049 115.700 -0.075 0.000 2.625 368 S HA 0.367 4.838 4.470 0.001 0.000 0.262 368 S C 0.563 175.172 174.600 0.016 0.000 1.223 368 S CA -0.593 57.618 58.200 0.017 0.000 0.993 368 S CB 0.920 64.156 63.200 0.061 0.000 1.051 368 S HN 0.221 nan 8.310 nan 0.000 0.562 369 R N 0.328 120.872 120.500 0.072 0.000 2.679 369 R HA 0.191 4.532 4.340 0.001 0.000 0.269 369 R C 1.590 177.956 176.300 0.110 0.000 1.076 369 R CA -0.509 55.637 56.100 0.076 0.000 1.160 369 R CB 0.249 30.606 30.300 0.094 0.000 1.054 369 R HN 0.709 nan 8.270 nan 0.000 0.507 370 E N 1.993 122.249 120.200 0.093 0.000 2.035 370 E HA -0.268 4.083 4.350 0.001 0.000 0.204 370 E C 1.426 178.124 176.600 0.163 0.000 1.025 370 E CA 2.220 58.697 56.400 0.127 0.000 0.835 370 E CB -0.210 29.541 29.700 0.085 0.000 0.764 370 E HN 0.690 nan 8.360 nan 0.000 0.457 371 D N 0.403 120.868 120.400 0.109 0.000 2.149 371 D HA -0.140 4.501 4.640 0.001 0.000 0.198 371 D C 2.125 178.498 176.300 0.122 0.000 0.990 371 D CA 1.107 55.158 54.000 0.085 0.000 0.839 371 D CB -0.648 40.175 40.800 0.039 0.000 0.948 371 D HN 0.102 nan 8.370 nan 0.000 0.460 372 V N 0.558 120.573 119.914 0.169 0.000 2.343 372 V HA -0.214 3.907 4.120 0.001 0.000 0.247 372 V C 2.310 178.542 176.094 0.230 0.000 1.051 372 V CA 1.410 63.837 62.300 0.213 0.000 1.036 372 V CB -0.856 31.085 31.823 0.197 0.000 0.654 372 V HN 0.048 nan 8.190 nan 0.000 0.451 373 F N 2.021 122.021 119.950 0.082 0.000 2.075 373 F HA -0.153 4.374 4.527 0.001 0.000 0.297 373 F C 2.366 178.243 175.800 0.130 0.000 1.113 373 F CA 1.806 59.867 58.000 0.101 0.000 1.218 373 F CB -0.603 38.417 39.000 0.033 0.000 0.984 373 F HN 0.163 nan 8.300 nan 0.000 0.472 374 N N 0.681 119.350 118.700 -0.052 0.000 2.061 374 N HA -0.187 4.554 4.740 0.001 0.000 0.193 374 N C 2.108 177.529 175.510 -0.148 0.000 1.030 374 N CA 1.931 54.878 53.050 -0.171 0.000 0.856 374 N CB -0.919 37.549 38.487 -0.033 0.000 1.023 374 N HN 0.262 nan 8.380 nan 0.000 0.424 375 V N 1.532 121.434 119.914 -0.021 0.000 2.332 375 V HA -0.241 3.880 4.120 0.001 0.000 0.248 375 V C 2.037 178.133 176.094 0.004 0.000 1.055 375 V CA 1.558 63.869 62.300 0.018 0.000 1.038 375 V CB -0.778 31.119 31.823 0.124 0.000 0.651 375 V HN 0.253 nan 8.190 nan 0.000 0.450 376 F N 0.238 120.107 119.950 -0.135 0.000 2.102 376 F HA -0.201 4.328 4.527 0.002 0.000 0.298 376 F C 2.116 177.771 175.800 -0.242 0.000 1.105 376 F CA 1.757 59.656 58.000 -0.167 0.000 1.239 376 F CB -0.128 38.770 39.000 -0.170 0.000 0.991 376 F HN 0.035 nan 8.300 nan 0.000 0.474 377 L N 0.244 121.021 121.223 -0.744 0.000 2.017 377 L HA -0.216 4.125 4.340 0.001 0.000 0.208 377 L C 2.461 179.038 176.870 -0.490 0.000 1.073 377 L CA 1.815 56.176 54.840 -0.799 0.000 0.745 377 L CB -0.923 40.745 42.059 -0.651 0.000 0.894 377 L HN 0.221 nan 8.230 nan 0.000 0.432 378 E N 0.638 120.647 120.200 -0.317 0.000 2.048 378 E HA -0.272 4.079 4.350 0.001 0.000 0.202 378 E C 2.268 178.768 176.600 -0.167 0.000 1.021 378 E CA 1.836 58.122 56.400 -0.189 0.000 0.825 378 E CB 0.015 29.645 29.700 -0.116 0.000 0.756 378 E HN 0.287 nan 8.360 nan 0.000 0.454 379 R N 0.069 120.477 120.500 -0.153 0.000 2.152 379 R HA -0.066 4.275 4.340 0.001 0.000 0.232 379 R C 2.559 178.748 176.300 -0.185 0.000 1.117 379 R CA 0.927 56.975 56.100 -0.087 0.000 0.981 379 R CB -0.373 29.931 30.300 0.006 0.000 0.870 379 R HN 0.288 nan 8.270 nan 0.000 0.451 380 L N 0.342 121.336 121.223 -0.383 0.000 2.046 380 L HA -0.171 4.170 4.340 0.001 0.000 0.208 380 L C 2.290 179.041 176.870 -0.198 0.000 1.077 380 L CA 1.576 56.148 54.840 -0.446 0.000 0.747 380 L CB -0.374 41.196 42.059 -0.816 0.000 0.896 380 L HN 0.281 nan 8.230 nan 0.000 0.432 381 A N -0.436 122.275 122.820 -0.183 0.000 1.861 381 A HA -0.232 4.089 4.320 0.001 0.000 0.212 381 A C 1.862 179.414 177.584 -0.052 0.000 1.199 381 A CA 1.464 53.450 52.037 -0.085 0.000 0.613 381 A CB -0.853 18.087 19.000 -0.099 0.000 0.846 381 A HN 0.494 nan 8.150 nan 0.000 0.446 382 N N -0.467 118.198 118.700 -0.057 0.000 2.493 382 N HA -0.127 4.614 4.740 0.001 0.000 0.191 382 N C 0.742 176.265 175.510 0.021 0.000 1.041 382 N CA 1.171 54.214 53.050 -0.011 0.000 0.904 382 N CB -0.498 37.992 38.487 0.004 0.000 0.948 382 N HN 0.763 nan 8.380 nan 0.000 0.446 383 M N -1.835 117.743 119.600 -0.037 0.000 2.573 383 M HA 0.367 4.848 4.480 0.001 0.000 0.309 383 M C 0.294 176.561 176.300 -0.055 0.000 1.202 383 M CA -0.673 54.567 55.300 -0.101 0.000 0.975 383 M CB 1.553 33.820 32.600 -0.555 0.000 1.600 383 M HN -0.277 nan 8.290 nan 0.000 0.479 384 K N 0.191 120.564 120.400 -0.046 0.000 3.349 384 K HA -0.159 4.162 4.320 0.001 0.000 0.310 384 K C -0.450 176.129 176.600 -0.035 0.000 1.267 384 K CA 1.151 57.407 56.287 -0.053 0.000 0.920 384 K CB -2.020 30.395 32.500 -0.142 0.000 1.240 384 K HN 0.867 nan 8.250 nan 0.000 0.453 385 L N -0.518 120.704 121.223 -0.002 0.000 3.447 385 L HA 0.417 4.758 4.340 0.001 0.000 0.353 385 L C -0.542 176.344 176.870 0.026 0.000 1.338 385 L CA -0.237 54.602 54.840 -0.001 0.000 0.899 385 L CB 0.732 42.782 42.059 -0.015 0.000 1.332 385 L HN 0.120 nan 8.230 nan 0.000 0.608 386 I N -0.470 120.136 120.570 0.059 0.000 1.970 386 I HA 0.026 4.197 4.170 0.001 0.000 0.317 386 I C -1.314 174.909 176.117 0.177 0.000 2.715 386 I CA -0.355 60.995 61.300 0.083 0.000 1.019 386 I CB 0.796 38.839 38.000 0.072 0.000 2.152 386 I HN -0.061 nan 8.210 nan 0.000 0.650 387 K N 0.000 120.452 120.400 0.087 0.000 2.780 387 K HA 0.000 4.321 4.320 0.001 0.000 0.191 387 K CA 0.000 56.298 56.287 0.018 0.000 0.838 387 K CB 0.000 32.548 32.500 0.080 0.000 1.064 387 K HN 0.000 nan 8.250 nan 0.000 0.543