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 2zj1_1_D DATA FIRST_RESID 11 DATA SEQUENCE LTPDVRNGID FKIADLSLAD FGRKELRIAE HEMPGLMSLR REYAEVQPLK DATA SEQUENCE GARISGSLHM TVQTAVLIET LTALGAEVRW ASCNIFSTQD HAAAAVVVGP DATA SEQUENCE HGTPDEPKGV PVFAWKGETL EEYWWAAEQM LTWPDPDKPA NMILDDGGDA DATA SEQUENCE TMLVLRGMQY EKAGVVPPAE EDDPAEWKVF LNLLRTRFET DKDKWTKIAE DATA SEQUENCE SVKGVTEETT TGVLRLYQFA AAGDLAFPAI NVNDSVTKSK FDNKYGTRHS DATA SEQUENCE LIDGINRGTD ALIGGKKVLI CGYGDVGKGC AEAMKGQGAR VSVTEIDPIN DATA SEQUENCE ALQAMMEGFD VVTVEEAIGD ADIVVTATGN KDIIMLEHIK AMKDHAILGN DATA SEQUENCE IGHFDNEIDM AGLERSGATR VNVKPQVDLW TFGDTGRSII VLSEGRLLNL DATA SEQUENCE GNATGHPSFV MSNSFANQTI AQIELWTKND EYDNEVYRLP KHLDEKVARI DATA SEQUENCE HVEALGGHLT KLTKEQAEYL GVDVEGPYKP DHYRY 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 11 L HA 0.000 nan 4.340 nan 0.000 0.249 11 L C 0.000 176.685 176.870 -0.308 0.000 1.165 11 L CA 0.000 54.559 54.840 -0.468 0.000 0.813 11 L CB 0.000 41.480 42.059 -0.965 0.000 0.961 12 T N 0.752 115.214 114.554 -0.153 0.000 2.886 12 T HA 0.674 5.262 4.350 0.397 0.000 0.292 12 T C -2.845 171.983 174.700 0.214 0.000 1.012 12 T CA -1.923 60.247 62.100 0.117 0.000 0.982 12 T CB 1.849 70.743 68.868 0.043 0.000 1.018 12 T HN 0.215 nan 8.240 nan 0.000 0.451 13 P HA 0.218 nan 4.420 nan 0.000 0.269 13 P C -0.371 176.925 177.300 -0.007 0.000 1.209 13 P CA -0.183 63.115 63.100 0.331 0.000 0.776 13 P CB 0.442 32.352 31.700 0.351 0.000 0.876 14 D N 0.587 120.816 120.400 -0.285 0.000 2.313 14 D HA 0.258 5.136 4.640 0.397 0.000 0.247 14 D C -0.345 175.620 176.300 -0.559 0.000 1.094 14 D CA 0.130 53.818 54.000 -0.519 0.000 0.925 14 D CB 1.141 41.420 40.800 -0.867 0.000 1.188 14 D HN 0.014 nan 8.370 nan 0.000 0.430 15 V N 1.836 121.580 119.914 -0.283 0.000 2.638 15 V HA 0.516 4.874 4.120 0.397 0.000 0.306 15 V C -0.208 175.913 176.094 0.044 0.000 1.052 15 V CA -0.750 61.497 62.300 -0.088 0.000 0.885 15 V CB 2.067 33.878 31.823 -0.019 0.000 0.999 15 V HN 0.448 nan 8.190 nan 0.000 0.424 16 R N 3.353 123.977 120.500 0.207 0.000 2.508 16 R HA 0.465 5.043 4.340 0.397 0.000 0.283 16 R C 0.051 176.440 176.300 0.148 0.000 1.120 16 R CA -0.358 55.868 56.100 0.210 0.000 0.958 16 R CB 0.712 31.219 30.300 0.344 0.000 1.215 16 R HN 0.781 nan 8.270 nan 0.000 0.427 17 N N 2.877 121.629 118.700 0.086 0.000 2.721 17 N HA -0.210 4.768 4.740 0.397 0.000 0.249 17 N C 0.466 176.010 175.510 0.056 0.000 1.072 17 N CA 2.094 55.178 53.050 0.057 0.000 0.710 17 N CB -0.885 37.627 38.487 0.041 0.000 0.993 17 N HN 1.104 nan 8.380 nan 0.000 0.547 18 G N -1.735 107.103 108.800 0.064 0.000 2.159 18 G HA2 -0.277 3.921 3.960 0.397 0.000 0.256 18 G HA3 -0.277 3.921 3.960 0.397 0.000 0.256 18 G C 0.084 175.025 174.900 0.068 0.000 0.977 18 G CA 0.344 45.478 45.100 0.056 0.000 0.652 18 G HN 0.539 nan 8.290 nan 0.000 0.531 19 I N 2.230 122.862 120.570 0.104 0.000 2.389 19 I HA 0.347 4.755 4.170 0.397 0.000 0.288 19 I C -0.437 175.815 176.117 0.225 0.000 0.999 19 I CA -1.116 60.265 61.300 0.134 0.000 1.129 19 I CB 1.514 39.576 38.000 0.104 0.000 1.288 19 I HN 0.197 nan 8.210 nan 0.000 0.444 20 D N 7.081 127.568 120.400 0.145 0.000 2.255 20 D HA 0.570 5.448 4.640 0.397 0.000 0.249 20 D C -0.606 175.700 176.300 0.010 0.000 1.078 20 D CA -0.154 53.903 54.000 0.095 0.000 0.896 20 D CB 1.617 42.513 40.800 0.160 0.000 1.194 20 D HN 0.387 nan 8.370 nan 0.000 0.429 21 F N -1.986 117.787 119.950 -0.294 0.000 2.807 21 F HA 0.662 5.426 4.527 0.396 0.000 0.316 21 F C -1.651 173.958 175.800 -0.319 0.000 1.162 21 F CA -1.296 56.237 58.000 -0.778 0.000 0.910 21 F CB 1.572 40.313 39.000 -0.432 0.000 1.314 21 F HN 0.274 nan 8.300 nan 0.000 0.454 22 K N 2.533 122.897 120.400 -0.060 0.000 2.695 22 K HA 0.704 5.262 4.320 0.397 0.000 0.255 22 K C -1.729 175.118 176.600 0.411 0.000 1.016 22 K CA -0.298 56.164 56.287 0.291 0.000 0.928 22 K CB 1.423 34.344 32.500 0.701 0.000 1.235 22 K HN 0.892 nan 8.250 nan 0.000 0.467 23 I N -0.307 120.445 120.570 0.305 0.000 3.279 23 I HA 0.744 5.152 4.170 0.397 0.000 0.315 23 I C 0.519 176.710 176.117 0.123 0.000 1.187 23 I CA -0.996 60.485 61.300 0.302 0.000 0.953 23 I CB 1.996 40.126 38.000 0.217 0.000 1.279 23 I HN 0.415 nan 8.210 nan 0.000 0.465 24 A N 0.737 123.652 122.820 0.158 0.000 1.855 24 A HA 0.014 4.572 4.320 0.397 0.000 0.215 24 A C 0.560 178.171 177.584 0.046 0.000 1.191 24 A CA 2.151 54.226 52.037 0.063 0.000 0.613 24 A CB -0.440 18.654 19.000 0.155 0.000 0.829 24 A HN 0.868 nan 8.150 nan 0.000 0.442 25 D N -2.242 118.204 120.400 0.078 0.000 2.419 25 D HA 0.260 5.138 4.640 0.397 0.000 0.219 25 D C 0.123 176.454 176.300 0.052 0.000 1.349 25 D CA -0.568 53.470 54.000 0.063 0.000 0.964 25 D CB 0.569 41.410 40.800 0.068 0.000 1.463 25 D HN -0.091 nan 8.370 nan 0.000 0.573 26 L N 2.888 124.130 121.223 0.033 0.000 2.187 26 L HA -0.095 4.483 4.340 0.397 0.000 0.213 26 L C 2.202 179.071 176.870 -0.002 0.000 1.100 26 L CA 2.202 57.029 54.840 -0.021 0.000 0.765 26 L CB -0.857 41.179 42.059 -0.039 0.000 0.904 26 L HN 0.578 nan 8.230 nan 0.000 0.437 27 S N -2.098 113.619 115.700 0.028 0.000 2.607 27 S HA -0.039 4.669 4.470 0.397 0.000 0.224 27 S C 1.688 176.330 174.600 0.070 0.000 0.969 27 S CA 0.234 58.456 58.200 0.038 0.000 0.927 27 S CB -0.541 62.681 63.200 0.037 0.000 0.772 27 S HN 0.469 nan 8.310 nan 0.000 0.533 28 L N 0.702 121.979 121.223 0.091 0.000 2.610 28 L HA 0.219 4.797 4.340 0.397 0.000 0.232 28 L C 2.736 179.686 176.870 0.133 0.000 1.149 28 L CA 0.449 55.386 54.840 0.162 0.000 0.872 28 L CB -0.606 41.568 42.059 0.191 0.000 0.992 28 L HN 0.459 nan 8.230 nan 0.000 0.447 29 A N 0.254 123.107 122.820 0.054 0.000 1.940 29 A HA -0.238 4.320 4.320 0.397 0.000 0.219 29 A C 1.886 179.486 177.584 0.027 0.000 1.176 29 A CA 2.023 54.061 52.037 0.001 0.000 0.631 29 A CB -0.311 18.667 19.000 -0.036 0.000 0.814 29 A HN 0.312 nan 8.150 nan 0.000 0.446 30 D N -1.391 119.054 120.400 0.076 0.000 2.123 30 D HA -0.077 4.801 4.640 0.397 0.000 0.200 30 D C 1.574 177.975 176.300 0.170 0.000 0.976 30 D CA 1.059 55.115 54.000 0.093 0.000 0.831 30 D CB -0.369 40.483 40.800 0.088 0.000 0.974 30 D HN 0.423 nan 8.370 nan 0.000 0.469 31 F N 1.484 121.471 119.950 0.062 0.000 2.113 31 F HA 0.018 4.784 4.527 0.398 0.000 0.297 31 F C 2.165 178.080 175.800 0.192 0.000 1.103 31 F CA 1.728 59.789 58.000 0.101 0.000 1.248 31 F CB -0.794 38.249 39.000 0.071 0.000 0.999 31 F HN -0.043 nan 8.300 nan 0.000 0.475 32 G N 0.184 108.951 108.800 -0.054 0.000 2.446 32 G HA2 -0.348 3.850 3.960 0.397 0.000 0.217 32 G HA3 -0.348 3.850 3.960 0.397 0.000 0.217 32 G C 1.786 176.578 174.900 -0.179 0.000 1.168 32 G CA 0.967 45.911 45.100 -0.260 0.000 0.771 32 G HN 0.334 nan 8.290 nan 0.000 0.551 33 R N 0.920 121.372 120.500 -0.079 0.000 2.096 33 R HA 0.033 4.611 4.340 0.397 0.000 0.235 33 R C 2.447 178.736 176.300 -0.018 0.000 1.127 33 R CA 1.616 57.680 56.100 -0.061 0.000 0.968 33 R CB -0.479 29.796 30.300 -0.042 0.000 0.861 33 R HN 0.371 nan 8.270 nan 0.000 0.440 34 K N 0.158 120.581 120.400 0.039 0.000 2.032 34 K HA -0.140 4.418 4.320 0.397 0.000 0.209 34 K C 1.923 178.561 176.600 0.063 0.000 1.048 34 K CA 1.742 58.075 56.287 0.078 0.000 0.927 34 K CB -0.103 32.489 32.500 0.154 0.000 0.712 34 K HN 0.243 nan 8.250 nan 0.000 0.441 35 E N 0.677 120.897 120.200 0.033 0.000 2.150 35 E HA -0.149 4.439 4.350 0.397 0.000 0.193 35 E C 2.089 178.675 176.600 -0.023 0.000 0.985 35 E CA 0.756 57.166 56.400 0.017 0.000 0.814 35 E CB -0.096 29.596 29.700 -0.014 0.000 0.752 35 E HN 0.139 nan 8.360 nan 0.000 0.466 36 L N 0.965 122.141 121.223 -0.077 0.000 2.042 36 L HA -0.176 4.402 4.340 0.397 0.000 0.210 36 L C 2.435 179.292 176.870 -0.022 0.000 1.076 36 L CA 1.641 56.434 54.840 -0.077 0.000 0.749 36 L CB -0.408 41.580 42.059 -0.119 0.000 0.893 36 L HN -0.013 nan 8.230 nan 0.000 0.432 37 R N -0.967 119.538 120.500 0.009 0.000 2.090 37 R HA -0.050 4.528 4.340 0.397 0.000 0.228 37 R C 2.295 178.692 176.300 0.161 0.000 1.110 37 R CA 1.127 57.262 56.100 0.058 0.000 0.973 37 R CB -0.352 29.991 30.300 0.072 0.000 0.869 37 R HN 0.284 nan 8.270 nan 0.000 0.440 38 I N 0.627 121.281 120.570 0.139 0.000 2.163 38 I HA -0.303 4.105 4.170 0.397 0.000 0.243 38 I C 2.560 178.775 176.117 0.164 0.000 1.085 38 I CA 1.412 62.810 61.300 0.163 0.000 1.347 38 I CB -0.394 37.667 38.000 0.102 0.000 1.044 38 I HN 0.211 nan 8.210 nan 0.000 0.408 39 A N 0.359 123.236 122.820 0.094 0.000 1.908 39 A HA -0.257 4.301 4.320 0.397 0.000 0.218 39 A C 2.176 179.797 177.584 0.062 0.000 1.181 39 A CA 1.850 53.930 52.037 0.072 0.000 0.627 39 A CB -0.679 18.338 19.000 0.028 0.000 0.818 39 A HN 0.475 nan 8.150 nan 0.000 0.445 40 E N -1.027 119.186 120.200 0.021 0.000 2.130 40 E HA -0.272 4.316 4.350 0.397 0.000 0.196 40 E C 1.796 178.340 176.600 -0.093 0.000 0.998 40 E CA 1.728 58.091 56.400 -0.061 0.000 0.806 40 E CB -0.341 29.280 29.700 -0.131 0.000 0.738 40 E HN 0.858 nan 8.360 nan 0.000 0.459 41 H N 0.064 119.157 119.070 0.039 0.000 2.457 41 H HA -0.007 4.788 4.556 0.398 0.000 0.294 41 H C 1.438 176.827 175.328 0.103 0.000 1.064 41 H CA 0.898 56.981 56.048 0.057 0.000 1.330 41 H CB 0.285 30.079 29.762 0.053 0.000 1.395 41 H HN 0.016 nan 8.280 nan 0.000 0.541 42 E N -0.080 120.252 120.200 0.220 0.000 2.465 42 E HA 0.102 4.690 4.350 0.397 0.000 0.191 42 E C -0.120 176.587 176.600 0.179 0.000 1.053 42 E CA 0.241 56.809 56.400 0.281 0.000 0.869 42 E CB 0.440 30.284 29.700 0.240 0.000 0.977 42 E HN 0.526 nan 8.360 nan 0.000 0.483 43 M N 1.312 120.948 119.600 0.060 0.000 2.944 43 M HA 0.169 4.887 4.480 0.397 0.000 0.235 43 M C -1.954 174.304 176.300 -0.070 0.000 1.188 43 M CA -1.381 53.903 55.300 -0.028 0.000 0.688 43 M CB 1.624 34.225 32.600 0.003 0.000 1.406 43 M HN -0.220 nan 8.290 nan 0.000 0.479 44 P HA -0.040 nan 4.420 nan 0.000 0.223 44 P C 1.356 178.513 177.300 -0.238 0.000 1.151 44 P CA 1.171 64.167 63.100 -0.173 0.000 0.787 44 P CB 0.167 31.755 31.700 -0.185 0.000 0.788 45 G N 0.839 109.468 108.800 -0.284 0.000 2.421 45 G HA2 -0.190 4.008 3.960 0.397 0.000 0.216 45 G HA3 -0.190 4.008 3.960 0.397 0.000 0.216 45 G C 1.647 176.529 174.900 -0.031 0.000 1.171 45 G CA 0.445 45.456 45.100 -0.149 0.000 0.775 45 G HN 0.221 nan 8.290 nan 0.000 0.543 46 L N -0.124 121.095 121.223 -0.007 0.000 2.056 46 L HA -0.035 4.543 4.340 0.397 0.000 0.207 46 L C 3.064 179.927 176.870 -0.012 0.000 1.078 46 L CA 0.655 55.500 54.840 0.009 0.000 0.749 46 L CB -0.335 41.736 42.059 0.021 0.000 0.901 46 L HN 0.145 nan 8.230 nan 0.000 0.433 47 M N -0.724 118.853 119.600 -0.039 0.000 2.132 47 M HA -0.150 4.568 4.480 0.397 0.000 0.263 47 M C 2.610 178.893 176.300 -0.030 0.000 1.065 47 M CA 1.532 56.805 55.300 -0.045 0.000 1.122 47 M CB -1.448 31.108 32.600 -0.072 0.000 1.365 47 M HN 0.196 nan 8.290 nan 0.000 0.411 48 S N 0.594 116.270 115.700 -0.040 0.000 2.383 48 S HA -0.100 4.608 4.470 0.397 0.000 0.229 48 S C 2.024 176.635 174.600 0.018 0.000 1.030 48 S CA 1.049 59.233 58.200 -0.027 0.000 1.002 48 S CB -0.171 62.998 63.200 -0.052 0.000 0.829 48 S HN 0.462 nan 8.310 nan 0.000 0.467 49 L N 0.695 121.951 121.223 0.055 0.000 2.046 49 L HA -0.060 4.518 4.340 0.397 0.000 0.208 49 L C 2.947 179.917 176.870 0.167 0.000 1.077 49 L CA 1.373 56.307 54.840 0.158 0.000 0.747 49 L CB -0.498 41.646 42.059 0.141 0.000 0.896 49 L HN 0.285 nan 8.230 nan 0.000 0.432 50 R N -0.160 120.386 120.500 0.077 0.000 2.091 50 R HA -0.167 4.411 4.340 0.397 0.000 0.238 50 R C 2.436 178.771 176.300 0.057 0.000 1.136 50 R CA 1.403 57.539 56.100 0.059 0.000 0.959 50 R CB -0.297 30.011 30.300 0.013 0.000 0.856 50 R HN 0.404 nan 8.270 nan 0.000 0.437 51 R N 0.307 120.825 120.500 0.030 0.000 2.062 51 R HA -0.115 4.463 4.340 0.397 0.000 0.229 51 R C 2.331 178.626 176.300 -0.009 0.000 1.128 51 R CA 1.324 57.428 56.100 0.007 0.000 0.960 51 R CB -0.259 30.034 30.300 -0.010 0.000 0.855 51 R HN 0.349 nan 8.270 nan 0.000 0.432 52 E N 0.274 120.456 120.200 -0.030 0.000 2.085 52 E HA -0.209 4.379 4.350 0.397 0.000 0.194 52 E C 0.637 177.095 176.600 -0.237 0.000 0.994 52 E CA 1.326 57.626 56.400 -0.167 0.000 0.801 52 E CB 0.063 29.618 29.700 -0.242 0.000 0.743 52 E HN 0.382 nan 8.360 nan 0.000 0.453 53 Y N -0.716 119.589 120.300 0.008 0.000 2.555 53 Y HA 0.396 5.187 4.550 0.401 0.000 0.259 53 Y C 1.618 177.525 175.900 0.012 0.000 1.179 53 Y CA 0.111 58.219 58.100 0.014 0.000 1.230 53 Y CB 0.388 38.859 38.460 0.018 0.000 1.146 53 Y HN 0.172 nan 8.280 nan 0.000 0.526 54 A N 0.375 123.263 122.820 0.113 0.000 1.873 54 A HA -0.233 4.325 4.320 0.397 0.000 0.218 54 A C 2.107 179.730 177.584 0.065 0.000 1.193 54 A CA 2.175 54.256 52.037 0.073 0.000 0.629 54 A CB -0.333 18.689 19.000 0.038 0.000 0.826 54 A HN 0.467 nan 8.150 nan 0.000 0.447 55 E N -0.564 119.665 120.200 0.048 0.000 2.107 55 E HA -0.064 4.524 4.350 0.397 0.000 0.191 55 E C 2.024 178.660 176.600 0.060 0.000 0.982 55 E CA 1.012 57.436 56.400 0.040 0.000 0.809 55 E CB -0.190 29.521 29.700 0.019 0.000 0.756 55 E HN 0.408 nan 8.360 nan 0.000 0.459 56 V N 1.049 121.016 119.914 0.088 0.000 2.407 56 V HA -0.224 4.134 4.120 0.397 0.000 0.248 56 V C 0.634 176.802 176.094 0.124 0.000 1.055 56 V CA 0.971 63.345 62.300 0.123 0.000 1.049 56 V CB -0.505 31.450 31.823 0.220 0.000 0.662 56 V HN 0.355 nan 8.190 nan 0.000 0.455 57 Q N -1.267 118.607 119.800 0.123 0.000 2.437 57 Q HA -0.206 4.372 4.340 0.397 0.000 0.354 57 Q C -1.312 174.751 176.000 0.105 0.000 1.402 57 Q CA 1.114 56.975 55.803 0.096 0.000 1.020 57 Q CB -1.500 27.281 28.738 0.071 0.000 1.220 57 Q HN 0.535 nan 8.270 nan 0.000 0.368 58 P HA -0.104 nan 4.420 nan 0.000 0.226 58 P C 1.035 178.445 177.300 0.183 0.000 1.153 58 P CA 0.779 63.949 63.100 0.116 0.000 0.777 58 P CB 0.221 31.928 31.700 0.011 0.000 0.794 59 L N -1.031 120.239 121.223 0.078 0.000 2.628 59 L HA 0.208 4.786 4.340 0.397 0.000 0.229 59 L C 1.239 178.085 176.870 -0.041 0.000 1.137 59 L CA -0.401 54.422 54.840 -0.028 0.000 0.909 59 L CB -0.320 41.644 42.059 -0.158 0.000 1.137 59 L HN -0.106 nan 8.230 nan 0.000 0.470 60 K N 0.725 121.187 120.400 0.104 0.000 2.524 60 K HA 0.120 4.678 4.320 0.397 0.000 0.279 60 K C 1.256 177.993 176.600 0.229 0.000 0.993 60 K CA 1.157 57.511 56.287 0.112 0.000 1.030 60 K CB 0.323 32.890 32.500 0.112 0.000 0.891 60 K HN 0.224 nan 8.250 nan 0.000 0.488 61 G N 1.785 110.651 108.800 0.110 0.000 2.241 61 G HA2 -0.294 3.904 3.960 0.397 0.000 0.244 61 G HA3 -0.294 3.904 3.960 0.397 0.000 0.244 61 G C 0.050 174.908 174.900 -0.071 0.000 0.998 61 G CA 0.075 45.280 45.100 0.175 0.000 0.621 61 G HN 0.923 nan 8.290 nan 0.000 0.519 62 A N 0.404 122.906 122.820 -0.529 0.000 2.363 62 A HA 0.764 5.322 4.320 0.397 0.000 0.270 62 A C 0.581 177.761 177.584 -0.673 0.000 1.121 62 A CA -0.056 51.269 52.037 -1.187 0.000 0.800 62 A CB 0.361 18.377 19.000 -1.641 0.000 1.052 62 A HN 0.455 nan 8.150 nan 0.000 0.493 63 R N 2.617 122.663 120.500 -0.757 0.000 2.363 63 R HA 0.378 4.956 4.340 0.397 0.000 0.297 63 R C -1.369 174.575 176.300 -0.594 0.000 1.208 63 R CA -0.093 55.468 56.100 -0.898 0.000 1.121 63 R CB 0.998 30.368 30.300 -1.549 0.000 1.124 63 R HN 0.692 nan 8.270 nan 0.000 0.561 64 I N 1.444 121.956 120.570 -0.096 0.000 2.331 64 I HA 0.183 4.591 4.170 0.397 0.000 0.292 64 I C 0.208 176.461 176.117 0.227 0.000 0.998 64 I CA -0.302 60.986 61.300 -0.020 0.000 1.267 64 I CB 1.924 39.895 38.000 -0.048 0.000 1.386 64 I HN 0.330 nan 8.210 nan 0.000 0.476 65 S N 4.406 120.163 115.700 0.095 0.000 2.422 65 S HA 0.504 5.212 4.470 0.397 0.000 0.298 65 S C 0.262 174.664 174.600 -0.330 0.000 1.118 65 S CA -0.612 57.599 58.200 0.018 0.000 1.083 65 S CB 1.187 64.446 63.200 0.098 0.000 0.971 65 S HN 0.797 nan 8.310 nan 0.000 0.478 66 G N 1.393 109.740 108.800 -0.755 0.000 2.343 66 G HA2 0.485 4.683 3.960 0.397 0.000 0.319 66 G HA3 0.485 4.683 3.960 0.397 0.000 0.319 66 G C -0.628 173.443 174.900 -1.381 0.000 1.126 66 G CA -0.460 43.702 45.100 -1.562 0.000 0.889 66 G HN 0.557 nan 8.290 nan 0.000 0.457 67 S N 1.537 116.735 115.700 -0.838 0.000 2.516 67 S HA 0.564 5.272 4.470 0.397 0.000 0.268 67 S C -1.032 173.360 174.600 -0.347 0.000 1.251 67 S CA -0.593 57.287 58.200 -0.534 0.000 1.153 67 S CB 0.081 63.089 63.200 -0.319 0.000 1.009 67 S HN 0.790 nan 8.310 nan 0.000 0.479 68 L N 5.375 126.477 121.223 -0.203 0.000 2.641 68 L HA 0.437 5.015 4.340 0.397 0.000 0.261 68 L C -0.835 176.191 176.870 0.260 0.000 0.926 68 L CA -0.241 54.638 54.840 0.065 0.000 0.917 68 L CB 1.251 43.475 42.059 0.276 0.000 1.361 68 L HN 0.636 nan 8.230 nan 0.000 0.417 69 H N 4.729 123.941 119.070 0.236 0.000 3.188 69 H HA -0.123 4.672 4.556 0.397 0.000 0.255 69 H C 0.325 175.771 175.328 0.197 0.000 0.815 69 H CA 0.662 56.823 56.048 0.188 0.000 1.436 69 H CB 0.211 30.056 29.762 0.139 0.000 1.378 69 H HN 0.651 nan 8.280 nan 0.000 0.510 70 M N 4.684 124.447 119.600 0.271 0.000 3.237 70 M HA 0.039 4.757 4.480 0.397 0.000 0.266 70 M C 0.045 176.390 176.300 0.076 0.000 1.456 70 M CA -0.225 55.165 55.300 0.150 0.000 1.593 70 M CB -0.700 31.997 32.600 0.161 0.000 1.129 70 M HN 0.618 nan 8.290 nan 0.000 0.547 71 T N -1.319 113.272 114.554 0.061 0.000 2.922 71 T HA 0.478 5.066 4.350 0.397 0.000 0.281 71 T C 1.143 175.803 174.700 -0.066 0.000 1.005 71 T CA -0.921 61.196 62.100 0.027 0.000 0.982 71 T CB 0.812 69.731 68.868 0.086 0.000 1.158 71 T HN 0.116 nan 8.240 nan 0.000 0.566 72 V N 1.212 121.065 119.914 -0.101 0.000 2.380 72 V HA -0.207 4.151 4.120 0.397 0.000 0.251 72 V C 2.855 178.915 176.094 -0.057 0.000 1.063 72 V CA 2.060 64.274 62.300 -0.142 0.000 1.055 72 V CB -1.129 30.619 31.823 -0.126 0.000 0.657 72 V HN 0.790 nan 8.190 nan 0.000 0.455 73 Q N -0.517 119.308 119.800 0.041 0.000 2.083 73 Q HA -0.105 4.473 4.340 0.397 0.000 0.198 73 Q C 2.364 178.515 176.000 0.252 0.000 0.969 73 Q CA 1.959 57.855 55.803 0.155 0.000 0.838 73 Q CB -0.776 28.068 28.738 0.177 0.000 0.900 73 Q HN 0.587 nan 8.270 nan 0.000 0.436 74 T N 0.488 115.147 114.554 0.174 0.000 2.867 74 T HA -0.094 4.494 4.350 0.397 0.000 0.268 74 T C 1.772 176.219 174.700 -0.423 0.000 1.057 74 T CA 1.058 63.041 62.100 -0.195 0.000 1.136 74 T CB -0.306 68.488 68.868 -0.123 0.000 0.874 74 T HN 0.397 nan 8.240 nan 0.000 0.466 75 A N 0.932 123.574 122.820 -0.296 0.000 1.902 75 A HA -0.041 4.517 4.320 0.397 0.000 0.217 75 A C 2.500 179.918 177.584 -0.278 0.000 1.181 75 A CA 1.275 53.112 52.037 -0.332 0.000 0.623 75 A CB -0.834 18.009 19.000 -0.262 0.000 0.818 75 A HN 0.382 nan 8.150 nan 0.000 0.443 76 V N -0.208 119.600 119.914 -0.177 0.000 2.548 76 V HA -0.179 4.179 4.120 0.397 0.000 0.249 76 V C 2.436 178.439 176.094 -0.151 0.000 1.055 76 V CA 1.665 63.889 62.300 -0.126 0.000 1.065 76 V CB -0.749 31.046 31.823 -0.047 0.000 0.681 76 V HN 0.610 nan 8.190 nan 0.000 0.462 77 L N 0.283 121.373 121.223 -0.221 0.000 2.027 77 L HA -0.095 4.483 4.340 0.397 0.000 0.206 77 L C 2.203 178.854 176.870 -0.366 0.000 1.074 77 L CA 1.876 56.521 54.840 -0.324 0.000 0.745 77 L CB -0.485 41.147 42.059 -0.712 0.000 0.898 77 L HN 0.195 nan 8.230 nan 0.000 0.433 78 I N -0.109 120.144 120.570 -0.528 0.000 2.118 78 I HA -0.322 4.086 4.170 0.397 0.000 0.241 78 I C 2.246 178.194 176.117 -0.281 0.000 1.070 78 I CA 1.865 62.858 61.300 -0.512 0.000 1.327 78 I CB -0.479 37.094 38.000 -0.711 0.000 1.034 78 I HN 0.372 nan 8.210 nan 0.000 0.405 79 E N -0.147 119.908 120.200 -0.242 0.000 2.478 79 E HA -0.105 4.483 4.350 0.397 0.000 0.198 79 E C 1.912 178.440 176.600 -0.121 0.000 1.046 79 E CA 0.955 57.256 56.400 -0.166 0.000 0.870 79 E CB -0.005 29.598 29.700 -0.162 0.000 0.818 79 E HN 0.504 nan 8.360 nan 0.000 0.527 80 T N 1.117 115.597 114.554 -0.125 0.000 2.809 80 T HA -0.025 4.563 4.350 0.397 0.000 0.260 80 T C 1.942 176.595 174.700 -0.078 0.000 1.039 80 T CA 0.466 62.516 62.100 -0.083 0.000 1.141 80 T CB -0.061 68.765 68.868 -0.071 0.000 0.869 80 T HN 0.087 nan 8.240 nan 0.000 0.437 81 L N 1.465 122.627 121.223 -0.102 0.000 1.990 81 L HA -0.175 4.403 4.340 0.397 0.000 0.213 81 L C 3.142 179.969 176.870 -0.071 0.000 1.072 81 L CA 1.913 56.700 54.840 -0.088 0.000 0.755 81 L CB -1.406 40.608 42.059 -0.076 0.000 0.889 81 L HN 0.465 nan 8.230 nan 0.000 0.432 82 T N -2.367 112.145 114.554 -0.069 0.000 2.746 82 T HA -0.145 4.443 4.350 0.397 0.000 0.267 82 T C 1.945 176.625 174.700 -0.032 0.000 1.039 82 T CA 0.967 63.039 62.100 -0.046 0.000 1.142 82 T CB -0.467 68.371 68.868 -0.049 0.000 0.866 82 T HN 0.321 nan 8.240 nan 0.000 0.444 83 A N 1.536 124.334 122.820 -0.037 0.000 2.024 83 A HA 0.177 4.735 4.320 0.397 0.000 0.220 83 A C 2.293 179.879 177.584 0.002 0.000 1.164 83 A CA 1.224 53.253 52.037 -0.014 0.000 0.643 83 A CB -0.784 18.207 19.000 -0.016 0.000 0.806 83 A HN 0.620 nan 8.150 nan 0.000 0.451 84 L N -1.993 119.223 121.223 -0.012 0.000 2.628 84 L HA 0.272 4.850 4.340 0.397 0.000 0.229 84 L C 1.611 178.477 176.870 -0.006 0.000 1.137 84 L CA 0.557 55.396 54.840 -0.002 0.000 0.909 84 L CB -0.076 41.959 42.059 -0.040 0.000 1.137 84 L HN 0.581 nan 8.230 nan 0.000 0.470 85 G N -0.194 108.598 108.800 -0.013 0.000 2.253 85 G HA2 -0.207 3.991 3.960 0.397 0.000 0.209 85 G HA3 -0.207 3.991 3.960 0.397 0.000 0.209 85 G C 0.476 175.350 174.900 -0.044 0.000 0.997 85 G CA -0.141 44.953 45.100 -0.010 0.000 0.640 85 G HN 0.414 nan 8.290 nan 0.000 0.496 86 A N 0.324 123.094 122.820 -0.084 0.000 2.406 86 A HA 0.615 5.173 4.320 0.397 0.000 0.243 86 A C 0.310 177.869 177.584 -0.042 0.000 1.082 86 A CA 0.524 52.484 52.037 -0.128 0.000 0.786 86 A CB 0.249 19.147 19.000 -0.170 0.000 1.029 86 A HN 0.480 nan 8.150 nan 0.000 0.495 87 E N -0.655 119.534 120.200 -0.019 0.000 2.204 87 E HA 0.502 5.090 4.350 0.397 0.000 0.276 87 E C -0.631 176.149 176.600 0.299 0.000 0.974 87 E CA -0.715 55.776 56.400 0.151 0.000 0.815 87 E CB 1.919 31.765 29.700 0.243 0.000 1.119 87 E HN 0.650 nan 8.360 nan 0.000 0.393 88 V N -0.045 120.064 119.914 0.325 0.000 2.962 88 V HA 0.701 5.059 4.120 0.397 0.000 0.313 88 V C -0.936 175.252 176.094 0.158 0.000 1.099 88 V CA -0.958 61.549 62.300 0.345 0.000 0.971 88 V CB 2.053 34.051 31.823 0.292 0.000 1.028 88 V HN 0.624 nan 8.190 nan 0.000 0.430 89 R N 2.925 123.488 120.500 0.105 0.000 2.628 89 R HA 0.539 5.117 4.340 0.397 0.000 0.288 89 R C -1.682 174.705 176.300 0.144 0.000 0.980 89 R CA -0.452 55.613 56.100 -0.059 0.000 0.891 89 R CB 2.366 32.370 30.300 -0.493 0.000 1.188 89 R HN 0.874 nan 8.270 nan 0.000 0.450 90 W N 1.459 122.754 121.300 -0.008 0.000 2.844 90 W HA 0.722 5.618 4.660 0.394 0.000 0.340 90 W C -1.295 175.260 176.519 0.060 0.000 1.093 90 W CA -0.401 56.942 57.345 -0.004 0.000 1.212 90 W CB 2.335 31.768 29.460 -0.045 0.000 1.422 90 W HN 0.667 nan 8.180 nan 0.000 0.515 91 A N 2.013 124.779 122.820 -0.089 0.000 2.566 91 A HA 0.567 5.125 4.320 0.397 0.000 0.292 91 A C -1.080 176.484 177.584 -0.035 0.000 1.112 91 A CA -0.471 51.566 52.037 0.001 0.000 0.707 91 A CB 1.794 20.700 19.000 -0.157 0.000 1.302 91 A HN 0.371 nan 8.150 nan 0.000 0.409 92 S N -0.988 114.726 115.700 0.024 0.000 2.617 92 S HA 0.332 5.040 4.470 0.397 0.000 0.269 92 S C 0.918 175.501 174.600 -0.028 0.000 1.292 92 S CA 0.017 58.248 58.200 0.052 0.000 1.010 92 S CB 0.415 63.687 63.200 0.121 0.000 0.944 92 S HN 1.666 nan 8.310 nan 0.000 0.536 93 C N 3.065 122.322 119.300 -0.071 0.000 2.780 93 C HA 0.544 5.242 4.460 0.397 0.000 0.287 93 C C 0.334 175.356 174.990 0.053 0.000 1.288 93 C CA -0.945 58.065 59.018 -0.013 0.000 1.713 93 C CB -2.032 25.603 27.740 -0.176 0.000 1.955 93 C HN 0.719 nan 8.230 nan 0.000 0.613 94 N N 0.808 119.571 118.700 0.105 0.000 2.367 94 N HA 0.301 5.279 4.740 0.397 0.000 0.278 94 N C 0.510 175.964 175.510 -0.093 0.000 1.117 94 N CA -0.367 52.659 53.050 -0.041 0.000 0.867 94 N CB 1.635 40.188 38.487 0.110 0.000 1.649 94 N HN 0.364 nan 8.380 nan 0.000 0.479 95 I N -0.918 119.421 120.570 -0.385 0.000 2.676 95 I HA 0.056 4.464 4.170 0.397 0.000 0.259 95 I C 0.228 176.133 176.117 -0.352 0.000 1.194 95 I CA 1.116 62.135 61.300 -0.468 0.000 1.473 95 I CB -0.197 37.350 38.000 -0.755 0.000 1.096 95 I HN 0.193 nan 8.210 nan 0.000 0.443 96 F N 1.216 121.161 119.950 -0.009 0.000 2.682 96 F HA 0.236 5.001 4.527 0.397 0.000 0.308 96 F C 2.359 178.184 175.800 0.042 0.000 1.093 96 F CA -0.114 57.899 58.000 0.021 0.000 1.244 96 F CB -0.357 38.653 39.000 0.016 0.000 1.052 96 F HN 0.144 nan 8.300 nan 0.000 0.573 97 S N -2.016 113.808 115.700 0.207 0.000 2.524 97 S HA 0.055 4.763 4.470 0.397 0.000 0.216 97 S C 0.928 175.629 174.600 0.168 0.000 0.987 97 S CA 0.001 58.296 58.200 0.158 0.000 0.909 97 S CB -0.769 62.538 63.200 0.179 0.000 0.781 97 S HN 0.068 nan 8.310 nan 0.000 0.521 98 T N 3.306 117.967 114.554 0.178 0.000 2.916 98 T HA 0.186 4.774 4.350 0.397 0.000 0.303 98 T C -0.347 174.454 174.700 0.168 0.000 1.025 98 T CA 0.199 62.400 62.100 0.168 0.000 1.142 98 T CB 0.657 69.626 68.868 0.168 0.000 0.947 98 T HN 0.417 nan 8.240 nan 0.000 0.544 99 Q N 2.377 122.262 119.800 0.141 0.000 2.368 99 Q HA 0.181 4.759 4.340 0.397 0.000 0.256 99 Q C 0.398 176.502 176.000 0.173 0.000 0.980 99 Q CA -0.668 55.241 55.803 0.177 0.000 0.887 99 Q CB 1.134 29.960 28.738 0.146 0.000 1.221 99 Q HN 0.529 nan 8.270 nan 0.000 0.458 100 D N 1.335 121.880 120.400 0.241 0.000 2.182 100 D HA -0.208 4.670 4.640 0.397 0.000 0.201 100 D C 1.708 178.113 176.300 0.174 0.000 0.986 100 D CA 1.394 55.522 54.000 0.213 0.000 0.847 100 D CB 0.159 41.093 40.800 0.224 0.000 0.942 100 D HN 0.677 nan 8.370 nan 0.000 0.467 101 H N 0.473 119.537 119.070 -0.010 0.000 2.389 101 H HA 0.152 4.947 4.556 0.397 0.000 0.299 101 H C 1.905 177.145 175.328 -0.147 0.000 1.081 101 H CA 1.380 57.366 56.048 -0.104 0.000 1.345 101 H CB -0.730 28.843 29.762 -0.315 0.000 1.393 101 H HN 0.045 nan 8.280 nan 0.000 0.520 102 A N 2.065 124.530 122.820 -0.592 0.000 1.902 102 A HA -0.023 4.535 4.320 0.397 0.000 0.217 102 A C 2.848 180.298 177.584 -0.223 0.000 1.181 102 A CA 2.273 54.048 52.037 -0.436 0.000 0.623 102 A CB -1.202 17.563 19.000 -0.393 0.000 0.818 102 A HN 0.636 nan 8.150 nan 0.000 0.443 103 A N -0.043 122.709 122.820 -0.114 0.000 1.892 103 A HA 0.061 4.619 4.320 0.397 0.000 0.218 103 A C 2.543 180.067 177.584 -0.100 0.000 1.188 103 A CA 2.508 54.509 52.037 -0.060 0.000 0.631 103 A CB -1.157 17.876 19.000 0.054 0.000 0.822 103 A HN 1.144 nan 8.150 nan 0.000 0.447 104 A N -0.285 122.488 122.820 -0.078 0.000 1.877 104 A HA 0.131 4.689 4.320 0.397 0.000 0.216 104 A C 2.530 180.025 177.584 -0.149 0.000 1.186 104 A CA 2.305 54.278 52.037 -0.107 0.000 0.620 104 A CB -1.094 17.884 19.000 -0.036 0.000 0.822 104 A HN 1.164 nan 8.150 nan 0.000 0.443 105 A N -0.739 121.991 122.820 -0.150 0.000 1.933 105 A HA 0.032 4.590 4.320 0.397 0.000 0.218 105 A C 2.235 179.707 177.584 -0.186 0.000 1.175 105 A CA 1.729 53.669 52.037 -0.162 0.000 0.628 105 A CB -0.828 18.066 19.000 -0.177 0.000 0.814 105 A HN 0.364 nan 8.150 nan 0.000 0.444 106 V N -0.432 119.360 119.914 -0.204 0.000 2.270 106 V HA -0.227 4.131 4.120 0.397 0.000 0.245 106 V C 2.596 178.564 176.094 -0.211 0.000 1.043 106 V CA 2.006 64.177 62.300 -0.216 0.000 1.014 106 V CB -0.754 30.922 31.823 -0.245 0.000 0.645 106 V HN 0.376 nan 8.190 nan 0.000 0.447 107 V N -0.273 119.495 119.914 -0.242 0.000 2.287 107 V HA -0.252 4.106 4.120 0.397 0.000 0.248 107 V C 2.410 178.327 176.094 -0.294 0.000 1.053 107 V CA 2.088 64.192 62.300 -0.327 0.000 1.027 107 V CB -0.552 30.943 31.823 -0.546 0.000 0.646 107 V HN 0.405 nan 8.190 nan 0.000 0.447 108 V N -0.514 119.250 119.914 -0.250 0.000 2.358 108 V HA 0.159 4.517 4.120 0.397 0.000 0.246 108 V C 1.255 177.263 176.094 -0.142 0.000 1.047 108 V CA 1.381 63.571 62.300 -0.184 0.000 1.035 108 V CB -1.197 30.539 31.823 -0.144 0.000 0.658 108 V HN 0.869 nan 8.190 nan 0.000 0.452 109 G N -0.251 108.455 108.800 -0.156 0.000 2.746 109 G HA2 -0.126 4.072 3.960 0.397 0.000 0.685 109 G HA3 -0.126 4.072 3.960 0.397 0.000 0.685 109 G C -1.657 173.126 174.900 -0.196 0.000 1.350 109 G CA -0.156 44.849 45.100 -0.159 0.000 0.837 109 G HN 0.197 nan 8.290 nan 0.000 0.564 110 P HA -0.031 nan 4.420 nan 0.000 0.223 110 P C 0.667 177.680 177.300 -0.479 0.000 1.151 110 P CA 1.530 64.363 63.100 -0.445 0.000 0.787 110 P CB 0.047 31.351 31.700 -0.660 0.000 0.788 111 H N -1.763 117.285 119.070 -0.037 0.000 2.923 111 H HA 0.387 5.181 4.556 0.396 0.000 0.268 111 H C 1.228 176.539 175.328 -0.029 0.000 1.148 111 H CA -0.088 55.943 56.048 -0.027 0.000 1.146 111 H CB 0.411 30.160 29.762 -0.022 0.000 1.607 111 H HN 0.078 nan 8.280 nan 0.000 0.566 112 G N 0.805 109.616 108.800 0.020 0.000 2.557 112 G HA2 0.452 4.650 3.960 0.397 0.000 0.302 112 G HA3 0.452 4.650 3.960 0.397 0.000 0.302 112 G C -0.014 174.879 174.900 -0.012 0.000 1.311 112 G CA -0.188 44.911 45.100 -0.002 0.000 1.030 112 G HN 0.232 nan 8.290 nan 0.000 0.509 113 T N -3.166 111.376 114.554 -0.020 0.000 2.887 113 T HA 0.561 5.149 4.350 0.397 0.000 0.292 113 T C -2.278 172.400 174.700 -0.037 0.000 1.087 113 T CA -1.499 60.589 62.100 -0.019 0.000 1.009 113 T CB 2.261 71.128 68.868 -0.002 0.000 1.203 113 T HN 0.124 nan 8.240 nan 0.000 0.518 114 P HA -0.019 nan 4.420 nan 0.000 0.218 114 P C 0.784 178.073 177.300 -0.018 0.000 1.148 114 P CA 0.938 64.015 63.100 -0.039 0.000 0.822 114 P CB 0.062 31.753 31.700 -0.015 0.000 0.784 115 D N -0.878 119.521 120.400 -0.001 0.000 2.137 115 D HA -0.076 4.802 4.640 0.397 0.000 0.202 115 D C 0.779 177.088 176.300 0.015 0.000 0.970 115 D CA 1.057 55.066 54.000 0.014 0.000 0.837 115 D CB -0.099 40.710 40.800 0.015 0.000 0.981 115 D HN 0.240 nan 8.370 nan 0.000 0.475 116 E N 0.697 120.899 120.200 0.003 0.000 2.489 116 E HA 0.248 4.836 4.350 0.397 0.000 0.232 116 E C -2.660 173.931 176.600 -0.015 0.000 0.990 116 E CA -2.180 54.223 56.400 0.004 0.000 0.768 116 E CB 1.504 31.210 29.700 0.010 0.000 1.270 116 E HN -0.085 nan 8.360 nan 0.000 0.423 117 P HA 0.165 nan 4.420 nan 0.000 0.279 117 P C -0.606 176.661 177.300 -0.055 0.000 1.239 117 P CA -0.302 62.749 63.100 -0.083 0.000 0.789 117 P CB 0.933 32.529 31.700 -0.174 0.000 0.933 118 K N 1.310 121.675 120.400 -0.059 0.000 2.676 118 K HA 0.307 4.865 4.320 0.397 0.000 0.205 118 K C 0.821 177.388 176.600 -0.056 0.000 1.084 118 K CA -0.243 56.025 56.287 -0.032 0.000 1.057 118 K CB 1.051 33.553 32.500 0.005 0.000 0.791 118 K HN 0.565 nan 8.250 nan 0.000 0.484 119 G N 0.822 109.565 108.800 -0.096 0.000 2.945 119 G HA2 0.463 4.661 3.960 0.397 0.000 0.156 119 G HA3 0.463 4.661 3.960 0.397 0.000 0.156 119 G C -0.262 174.582 174.900 -0.094 0.000 1.375 119 G CA -0.210 44.822 45.100 -0.114 0.000 1.039 119 G HN 0.037 nan 8.290 nan 0.000 0.586 120 V N -3.114 116.733 119.914 -0.113 0.000 3.001 120 V HA 0.721 5.079 4.120 0.397 0.000 0.314 120 V C -2.909 173.127 176.094 -0.098 0.000 1.099 120 V CA -2.679 59.575 62.300 -0.078 0.000 0.989 120 V CB 1.888 33.682 31.823 -0.049 0.000 1.040 120 V HN 0.407 nan 8.190 nan 0.000 0.434 121 P HA 0.291 nan 4.420 nan 0.000 0.262 121 P C -0.802 176.407 177.300 -0.151 0.000 1.199 121 P CA 0.306 63.325 63.100 -0.136 0.000 0.763 121 P CB 0.645 32.325 31.700 -0.034 0.000 0.790 122 V N 5.234 124.962 119.914 -0.309 0.000 2.588 122 V HA 0.425 4.783 4.120 0.397 0.000 0.304 122 V C -0.449 175.420 176.094 -0.375 0.000 1.042 122 V CA -0.375 61.837 62.300 -0.148 0.000 0.877 122 V CB 1.460 33.261 31.823 -0.036 0.000 0.996 122 V HN 0.296 nan 8.190 nan 0.000 0.425 123 F N 3.433 123.495 119.950 0.186 0.000 2.363 123 F HA 0.831 5.595 4.527 0.395 0.000 0.366 123 F C 0.371 176.324 175.800 0.255 0.000 1.083 123 F CA -0.319 57.838 58.000 0.262 0.000 1.176 123 F CB 1.505 40.539 39.000 0.057 0.000 1.432 123 F HN 0.634 nan 8.300 nan 0.000 0.482 124 A N 2.889 126.003 122.820 0.489 0.000 2.583 124 A HA 0.716 5.274 4.320 0.397 0.000 0.298 124 A C -2.047 175.839 177.584 0.503 0.000 1.055 124 A CA -0.832 51.381 52.037 0.295 0.000 0.714 124 A CB 0.621 19.738 19.000 0.197 0.000 1.277 124 A HN 0.768 nan 8.150 nan 0.000 0.406 125 W N 1.095 122.505 121.300 0.185 0.000 3.137 125 W HA 0.735 5.633 4.660 0.397 0.000 0.324 125 W C -0.765 175.863 176.519 0.182 0.000 1.253 125 W CA -0.877 56.568 57.345 0.167 0.000 1.183 125 W CB 1.113 30.668 29.460 0.157 0.000 1.424 125 W HN 0.728 nan 8.180 nan 0.000 0.566 126 K N 1.576 122.176 120.400 0.333 0.000 2.368 126 K HA 0.431 4.989 4.320 0.397 0.000 0.282 126 K C 0.859 177.667 176.600 0.347 0.000 1.035 126 K CA 1.024 57.478 56.287 0.279 0.000 0.973 126 K CB 0.337 32.992 32.500 0.259 0.000 0.957 126 K HN 1.303 nan 8.250 nan 0.000 0.474 127 G N 3.009 112.032 108.800 0.372 0.000 2.165 127 G HA2 -0.217 3.981 3.960 0.397 0.000 0.226 127 G HA3 -0.217 3.981 3.960 0.397 0.000 0.226 127 G C -0.450 174.612 174.900 0.269 0.000 1.035 127 G CA -0.221 45.146 45.100 0.444 0.000 0.744 127 G HN 0.700 nan 8.290 nan 0.000 0.501 128 E N 1.066 121.228 120.200 -0.062 0.000 2.398 128 E HA 0.397 4.985 4.350 0.397 0.000 0.263 128 E C 1.395 177.988 176.600 -0.012 0.000 1.046 128 E CA 0.550 56.858 56.400 -0.153 0.000 0.908 128 E CB 0.596 30.020 29.700 -0.460 0.000 0.963 128 E HN 0.501 nan 8.360 nan 0.000 0.431 129 T N -0.463 114.154 114.554 0.105 0.000 2.788 129 T HA 0.146 4.734 4.350 0.397 0.000 0.287 129 T C 1.372 176.120 174.700 0.080 0.000 1.007 129 T CA -0.662 61.496 62.100 0.097 0.000 1.005 129 T CB 0.508 69.464 68.868 0.146 0.000 1.012 129 T HN 0.411 nan 8.240 nan 0.000 0.530 130 L N 0.187 121.466 121.223 0.094 0.000 2.083 130 L HA -0.094 4.484 4.340 0.397 0.000 0.209 130 L C 2.909 179.976 176.870 0.327 0.000 1.083 130 L CA 1.534 56.476 54.840 0.171 0.000 0.752 130 L CB -0.706 41.461 42.059 0.181 0.000 0.899 130 L HN 0.702 nan 8.230 nan 0.000 0.433 131 E N 0.343 120.702 120.200 0.264 0.000 2.051 131 E HA -0.214 4.374 4.350 0.397 0.000 0.192 131 E C 2.086 178.882 176.600 0.325 0.000 0.991 131 E CA 1.186 57.756 56.400 0.284 0.000 0.799 131 E CB -0.136 29.676 29.700 0.186 0.000 0.748 131 E HN 0.429 nan 8.360 nan 0.000 0.449 132 E N -0.589 119.775 120.200 0.273 0.000 2.110 132 E HA -0.204 4.384 4.350 0.397 0.000 0.193 132 E C 1.839 178.602 176.600 0.273 0.000 0.988 132 E CA 0.943 57.535 56.400 0.320 0.000 0.804 132 E CB -0.222 29.694 29.700 0.360 0.000 0.745 132 E HN 0.310 nan 8.360 nan 0.000 0.458 133 Y N -0.299 119.991 120.300 -0.016 0.000 2.097 133 Y HA -0.276 4.512 4.550 0.397 0.000 0.282 133 Y C 1.646 177.441 175.900 -0.174 0.000 1.152 133 Y CA 1.800 59.773 58.100 -0.211 0.000 1.136 133 Y CB -0.438 37.808 38.460 -0.358 0.000 0.975 133 Y HN 0.086 nan 8.280 nan 0.000 0.498 134 W N -1.160 120.243 121.300 0.172 0.000 2.402 134 W HA -0.140 4.757 4.660 0.394 0.000 0.286 134 W C 2.276 178.822 176.519 0.045 0.000 1.221 134 W CA 0.913 58.299 57.345 0.068 0.000 1.257 134 W CB -0.907 28.676 29.460 0.205 0.000 1.120 134 W HN 0.337 nan 8.180 nan 0.000 0.551 135 W N 1.241 122.646 121.300 0.174 0.000 2.335 135 W HA -0.287 4.613 4.660 0.400 0.000 0.311 135 W C 2.338 178.846 176.519 -0.017 0.000 1.213 135 W CA 3.185 60.586 57.345 0.095 0.000 1.274 135 W CB -0.733 28.803 29.460 0.126 0.000 1.148 135 W HN -0.147 nan 8.180 nan 0.000 0.498 136 A N 0.624 123.453 122.820 0.015 0.000 1.933 136 A HA -0.031 4.527 4.320 0.397 0.000 0.218 136 A C 2.084 179.409 177.584 -0.432 0.000 1.175 136 A CA 2.422 54.295 52.037 -0.272 0.000 0.628 136 A CB -1.521 17.502 19.000 0.037 0.000 0.814 136 A HN 0.475 nan 8.150 nan 0.000 0.444 137 A N -0.424 122.158 122.820 -0.396 0.000 1.930 137 A HA -0.157 4.401 4.320 0.397 0.000 0.217 137 A C 2.002 179.474 177.584 -0.186 0.000 1.175 137 A CA 1.740 53.570 52.037 -0.345 0.000 0.627 137 A CB -0.472 18.268 19.000 -0.432 0.000 0.815 137 A HN 0.669 nan 8.150 nan 0.000 0.443 138 E N -0.758 119.358 120.200 -0.140 0.000 2.106 138 E HA -0.216 4.372 4.350 0.397 0.000 0.192 138 E C 2.082 178.481 176.600 -0.336 0.000 0.984 138 E CA 1.059 57.425 56.400 -0.058 0.000 0.806 138 E CB -0.080 29.639 29.700 0.031 0.000 0.750 138 E HN 0.522 nan 8.360 nan 0.000 0.458 139 Q N 0.117 119.468 119.800 -0.749 0.000 2.084 139 Q HA -0.185 4.393 4.340 0.397 0.000 0.202 139 Q C 2.090 177.559 176.000 -0.886 0.000 0.978 139 Q CA 1.235 56.355 55.803 -1.138 0.000 0.844 139 Q CB -0.399 27.007 28.738 -2.220 0.000 0.898 139 Q HN 0.427 nan 8.270 nan 0.000 0.426 140 M N -0.160 119.068 119.600 -0.620 0.000 2.175 140 M HA -0.098 4.620 4.480 0.397 0.000 0.264 140 M C 1.507 177.670 176.300 -0.228 0.000 1.063 140 M CA 1.340 56.442 55.300 -0.329 0.000 1.119 140 M CB -0.198 32.269 32.600 -0.222 0.000 1.377 140 M HN 0.167 nan 8.290 nan 0.000 0.415 141 L N 0.063 121.216 121.223 -0.118 0.000 2.591 141 L HA 0.054 4.632 4.340 0.397 0.000 0.228 141 L C 0.050 176.988 176.870 0.114 0.000 1.133 141 L CA 0.122 55.016 54.840 0.090 0.000 0.880 141 L CB 0.038 42.241 42.059 0.239 0.000 1.033 141 L HN 0.104 nan 8.230 nan 0.000 0.450 142 T N -0.302 114.197 114.554 -0.093 0.000 2.947 142 T HA 0.193 4.781 4.350 0.397 0.000 0.337 142 T C -0.701 173.912 174.700 -0.144 0.000 1.139 142 T CA -0.459 61.575 62.100 -0.109 0.000 0.992 142 T CB 0.074 68.811 68.868 -0.217 0.000 1.043 142 T HN 0.017 nan 8.240 nan 0.000 0.498 143 W N 3.557 124.792 121.300 -0.110 0.000 2.184 143 W HA 0.316 5.220 4.660 0.406 0.000 0.338 143 W C -1.358 175.121 176.519 -0.067 0.000 1.257 143 W CA -1.766 55.536 57.345 -0.071 0.000 1.243 143 W CB 0.088 29.511 29.460 -0.062 0.000 1.122 143 W HN 0.450 nan 8.180 nan 0.000 0.585 144 P HA -0.130 nan 4.420 nan 0.000 0.217 144 P C 0.006 177.344 177.300 0.063 0.000 1.151 144 P CA 1.317 64.448 63.100 0.053 0.000 0.828 144 P CB 0.200 31.930 31.700 0.049 0.000 0.788 145 D N 0.094 120.556 120.400 0.103 0.000 2.316 145 D HA 0.070 4.948 4.640 0.397 0.000 0.245 145 D C -1.539 174.789 176.300 0.046 0.000 1.171 145 D CA -2.411 51.627 54.000 0.064 0.000 0.856 145 D CB 1.029 41.869 40.800 0.066 0.000 1.090 145 D HN 0.039 nan 8.370 nan 0.000 0.476 146 P HA -0.013 nan 4.420 nan 0.000 0.230 146 P C 0.237 177.528 177.300 -0.015 0.000 1.158 146 P CA 0.596 63.689 63.100 -0.011 0.000 0.769 146 P CB 0.590 32.273 31.700 -0.028 0.000 0.807 147 D N -0.196 120.200 120.400 -0.007 0.000 2.349 147 D HA 0.073 4.951 4.640 0.397 0.000 0.214 147 D C 0.445 176.733 176.300 -0.020 0.000 1.063 147 D CA 0.351 54.343 54.000 -0.013 0.000 0.847 147 D CB 0.509 41.303 40.800 -0.009 0.000 0.933 147 D HN 0.267 nan 8.370 nan 0.000 0.513 148 K N 1.934 122.324 120.400 -0.017 0.000 2.762 148 K HA 0.275 4.833 4.320 0.397 0.000 0.180 148 K C -2.686 173.865 176.600 -0.082 0.000 1.067 148 K CA -1.402 54.854 56.287 -0.052 0.000 0.973 148 K CB 2.190 34.671 32.500 -0.031 0.000 1.290 148 K HN -0.016 nan 8.250 nan 0.000 0.604 149 P HA 0.100 nan 4.420 nan 0.000 0.279 149 P C -0.409 176.639 177.300 -0.421 0.000 1.282 149 P CA -0.613 62.413 63.100 -0.123 0.000 0.788 149 P CB 0.517 32.174 31.700 -0.072 0.000 1.139 150 A N 1.501 124.048 122.820 -0.455 0.000 2.567 150 A HA 0.006 4.564 4.320 0.397 0.000 0.240 150 A C 0.863 178.212 177.584 -0.391 0.000 1.053 150 A CA 0.316 51.986 52.037 -0.611 0.000 0.755 150 A CB -1.014 17.939 19.000 -0.079 0.000 0.978 150 A HN 0.710 nan 8.150 nan 0.000 0.507 151 N N 1.221 119.654 118.700 -0.444 0.000 2.184 151 N HA 0.243 5.221 4.740 0.397 0.000 0.206 151 N C -0.256 175.114 175.510 -0.233 0.000 1.151 151 N CA 0.130 53.030 53.050 -0.249 0.000 0.878 151 N CB 0.327 38.745 38.487 -0.114 0.000 1.014 151 N HN 0.570 nan 8.380 nan 0.000 0.512 152 M N 0.442 119.848 119.600 -0.323 0.000 2.520 152 M HA 0.441 5.159 4.480 0.397 0.000 0.283 152 M C -1.711 174.433 176.300 -0.259 0.000 1.237 152 M CA -0.555 54.571 55.300 -0.289 0.000 0.885 152 M CB 3.076 35.499 32.600 -0.295 0.000 1.727 152 M HN -0.156 nan 8.290 nan 0.000 0.468 153 I N 2.521 122.931 120.570 -0.267 0.000 2.465 153 I HA 0.485 4.893 4.170 0.397 0.000 0.291 153 I C -1.197 174.806 176.117 -0.190 0.000 1.014 153 I CA -0.707 60.459 61.300 -0.223 0.000 1.093 153 I CB 2.200 40.065 38.000 -0.225 0.000 1.267 153 I HN 0.532 nan 8.210 nan 0.000 0.431 154 L N 6.025 127.116 121.223 -0.220 0.000 2.298 154 L HA 0.545 5.123 4.340 0.397 0.000 0.284 154 L C -1.320 175.412 176.870 -0.230 0.000 1.013 154 L CA -0.177 54.550 54.840 -0.188 0.000 0.824 154 L CB 0.913 42.889 42.059 -0.139 0.000 1.221 154 L HN 0.522 nan 8.230 nan 0.000 0.418 155 D N 2.814 123.133 120.400 -0.135 0.000 2.433 155 D HA 0.375 5.252 4.640 0.397 0.000 0.236 155 D C -1.591 174.656 176.300 -0.089 0.000 1.026 155 D CA -0.123 53.803 54.000 -0.124 0.000 0.884 155 D CB 2.373 43.129 40.800 -0.074 0.000 1.384 155 D HN 0.434 nan 8.370 nan 0.000 0.477 156 D N 0.808 121.141 120.400 -0.112 0.000 2.336 156 D HA 0.457 5.335 4.640 0.397 0.000 0.248 156 D C 0.704 176.847 176.300 -0.262 0.000 1.326 156 D CA -0.034 53.887 54.000 -0.131 0.000 0.973 156 D CB 0.379 41.140 40.800 -0.065 0.000 1.255 156 D HN 0.564 nan 8.370 nan 0.000 0.558 157 G N 2.096 110.624 108.800 -0.454 0.000 2.238 157 G HA2 -0.058 4.140 3.960 0.397 0.000 0.217 157 G HA3 -0.058 4.140 3.960 0.397 0.000 0.217 157 G C 1.064 175.873 174.900 -0.152 0.000 0.996 157 G CA 0.459 45.082 45.100 -0.796 0.000 0.632 157 G HN 1.595 nan 8.290 nan 0.000 0.503 158 G N -0.288 108.496 108.800 -0.026 0.000 2.141 158 G HA2 -0.223 3.975 3.960 0.397 0.000 0.231 158 G HA3 -0.223 3.975 3.960 0.397 0.000 0.231 158 G C 0.657 175.674 174.900 0.196 0.000 0.984 158 G CA 1.055 46.214 45.100 0.098 0.000 0.660 158 G HN 0.632 nan 8.290 nan 0.000 0.525 159 D N 0.562 121.094 120.400 0.221 0.000 2.117 159 D HA 0.124 5.002 4.640 0.397 0.000 0.198 159 D C 2.694 179.164 176.300 0.284 0.000 0.982 159 D CA 1.714 55.911 54.000 0.328 0.000 0.828 159 D CB -0.514 40.471 40.800 0.308 0.000 0.967 159 D HN 0.675 nan 8.370 nan 0.000 0.464 160 A N 0.214 123.104 122.820 0.116 0.000 1.877 160 A HA -0.170 4.388 4.320 0.397 0.000 0.216 160 A C 2.350 179.990 177.584 0.093 0.000 1.186 160 A CA 2.162 54.242 52.037 0.071 0.000 0.620 160 A CB -0.960 18.012 19.000 -0.047 0.000 0.822 160 A HN 0.222 nan 8.150 nan 0.000 0.443 161 T N -0.278 114.331 114.554 0.092 0.000 2.746 161 T HA -0.183 4.405 4.350 0.397 0.000 0.267 161 T C 1.933 176.652 174.700 0.033 0.000 1.039 161 T CA 1.678 63.830 62.100 0.087 0.000 1.142 161 T CB -0.299 68.628 68.868 0.098 0.000 0.866 161 T HN 0.528 nan 8.240 nan 0.000 0.444 162 M N 0.443 120.140 119.600 0.162 0.000 2.086 162 M HA -0.069 4.649 4.480 0.397 0.000 0.261 162 M C 2.150 178.567 176.300 0.195 0.000 1.067 162 M CA 1.470 56.913 55.300 0.238 0.000 1.116 162 M CB -0.250 32.499 32.600 0.248 0.000 1.348 162 M HN 0.198 nan 8.290 nan 0.000 0.407 163 L N 0.229 121.576 121.223 0.207 0.000 1.989 163 L HA -0.162 4.416 4.340 0.397 0.000 0.211 163 L C 2.227 178.847 176.870 -0.418 0.000 1.071 163 L CA 1.706 56.529 54.840 -0.028 0.000 0.749 163 L CB -0.958 41.071 42.059 -0.050 0.000 0.890 163 L HN 0.192 nan 8.230 nan 0.000 0.431 164 V N -0.361 119.440 119.914 -0.189 0.000 2.255 164 V HA -0.335 4.023 4.120 0.397 0.000 0.247 164 V C 2.542 178.609 176.094 -0.044 0.000 1.051 164 V CA 2.260 64.555 62.300 -0.008 0.000 1.018 164 V CB -0.573 31.360 31.823 0.183 0.000 0.641 164 V HN 0.442 nan 8.190 nan 0.000 0.445 165 L N -1.009 120.129 121.223 -0.142 0.000 2.072 165 L HA -0.072 4.506 4.340 0.397 0.000 0.205 165 L C 2.842 179.589 176.870 -0.205 0.000 1.079 165 L CA 1.135 55.818 54.840 -0.262 0.000 0.752 165 L CB -0.604 41.041 42.059 -0.690 0.000 0.906 165 L HN 0.210 nan 8.230 nan 0.000 0.436 166 R N 0.395 120.806 120.500 -0.149 0.000 2.073 166 R HA -0.035 4.543 4.340 0.397 0.000 0.229 166 R C 2.312 178.287 176.300 -0.542 0.000 1.120 166 R CA 1.320 57.242 56.100 -0.297 0.000 0.967 166 R CB -1.224 29.087 30.300 0.020 0.000 0.862 166 R HN 0.379 nan 8.270 nan 0.000 0.436 167 G N 1.372 109.921 108.800 -0.417 0.000 2.469 167 G HA2 -0.326 3.871 3.960 0.397 0.000 0.219 167 G HA3 -0.326 3.871 3.960 0.397 0.000 0.219 167 G C 1.538 176.420 174.900 -0.029 0.000 1.150 167 G CA 1.047 45.908 45.100 -0.398 0.000 0.763 167 G HN 0.314 nan 8.290 nan 0.000 0.561 168 M N -0.056 119.550 119.600 0.011 0.000 2.099 168 M HA -0.049 4.669 4.480 0.397 0.000 0.262 168 M C 2.644 178.926 176.300 -0.029 0.000 1.067 168 M CA 2.168 57.511 55.300 0.071 0.000 1.124 168 M CB -0.256 32.382 32.600 0.063 0.000 1.353 168 M HN 0.376 nan 8.290 nan 0.000 0.410 169 Q N -0.463 119.242 119.800 -0.159 0.000 2.112 169 Q HA -0.241 4.337 4.340 0.397 0.000 0.206 169 Q C 1.610 177.524 176.000 -0.142 0.000 0.987 169 Q CA 2.277 57.964 55.803 -0.194 0.000 0.858 169 Q CB -0.326 28.228 28.738 -0.307 0.000 0.905 169 Q HN 0.695 nan 8.270 nan 0.000 0.420 170 Y N 0.745 120.997 120.300 -0.080 0.000 2.314 170 Y HA -0.037 4.753 4.550 0.399 0.000 0.293 170 Y C 2.042 177.762 175.900 -0.298 0.000 1.129 170 Y CA 0.993 58.975 58.100 -0.196 0.000 1.201 170 Y CB -0.379 37.919 38.460 -0.269 0.000 0.999 170 Y HN 0.237 nan 8.280 nan 0.000 0.541 171 E N 0.365 120.546 120.200 -0.032 0.000 2.077 171 E HA -0.191 4.397 4.350 0.397 0.000 0.193 171 E C 2.003 178.661 176.600 0.097 0.000 0.989 171 E CA 1.212 57.650 56.400 0.064 0.000 0.800 171 E CB -0.095 29.757 29.700 0.253 0.000 0.746 171 E HN 0.429 nan 8.360 nan 0.000 0.452 172 K N 0.102 120.539 120.400 0.060 0.000 2.155 172 K HA -0.001 4.557 4.320 0.397 0.000 0.203 172 K C 2.058 178.687 176.600 0.049 0.000 1.052 172 K CA 0.814 57.137 56.287 0.060 0.000 0.948 172 K CB 0.052 32.575 32.500 0.038 0.000 0.728 172 K HN 0.022 nan 8.250 nan 0.000 0.448 173 A N 0.457 123.296 122.820 0.031 0.000 2.119 173 A HA 0.047 4.605 4.320 0.397 0.000 0.217 173 A C 1.579 179.174 177.584 0.018 0.000 1.153 173 A CA 1.327 53.383 52.037 0.031 0.000 0.692 173 A CB -0.476 18.558 19.000 0.056 0.000 0.799 173 A HN 0.450 nan 8.150 nan 0.000 0.458 174 G N -2.425 106.379 108.800 0.006 0.000 2.179 174 G HA2 -0.095 4.103 3.960 0.397 0.000 0.260 174 G HA3 -0.095 4.103 3.960 0.397 0.000 0.260 174 G C 0.249 175.122 174.900 -0.046 0.000 0.977 174 G CA 0.590 45.737 45.100 0.079 0.000 0.641 174 G HN 1.681 nan 8.290 nan 0.000 0.533 175 V N -0.032 119.738 119.914 -0.239 0.000 2.891 175 V HA 0.600 4.958 4.120 0.397 0.000 0.304 175 V C -0.440 175.434 176.094 -0.368 0.000 1.171 175 V CA -0.520 61.619 62.300 -0.268 0.000 0.943 175 V CB 2.264 34.028 31.823 -0.098 0.000 1.037 175 V HN 0.619 nan 8.190 nan 0.000 0.427 176 V N 9.058 128.699 119.914 -0.454 0.000 2.432 176 V HA 0.413 4.771 4.120 0.397 0.000 0.271 176 V C -1.869 173.942 176.094 -0.472 0.000 1.046 176 V CA -1.209 60.735 62.300 -0.593 0.000 0.945 176 V CB 1.340 32.864 31.823 -0.499 0.000 0.992 176 V HN 0.849 nan 8.190 nan 0.000 0.471 177 P HA 0.265 nan 4.420 nan 0.000 0.271 177 P C -2.538 174.608 177.300 -0.257 0.000 1.216 177 P CA -1.388 61.532 63.100 -0.300 0.000 0.776 177 P CB 0.194 31.758 31.700 -0.227 0.000 0.881 178 P HA 0.087 nan 4.420 nan 0.000 0.270 178 P C -0.371 176.885 177.300 -0.073 0.000 1.223 178 P CA -0.076 62.958 63.100 -0.111 0.000 0.785 178 P CB 0.409 32.072 31.700 -0.062 0.000 0.923 179 A N 1.947 124.731 122.820 -0.060 0.000 2.340 179 A HA 0.198 4.756 4.320 0.397 0.000 0.268 179 A C 0.408 178.026 177.584 0.056 0.000 1.100 179 A CA -0.466 51.584 52.037 0.021 0.000 0.803 179 A CB -0.131 18.869 19.000 0.000 0.000 1.043 179 A HN 0.552 nan 8.150 nan 0.000 0.488 180 E N 0.727 120.991 120.200 0.107 0.000 2.366 180 E HA 0.058 4.646 4.350 0.397 0.000 0.266 180 E C 0.741 177.378 176.600 0.062 0.000 1.051 180 E CA 0.061 56.503 56.400 0.069 0.000 0.884 180 E CB 0.747 30.484 29.700 0.063 0.000 1.006 180 E HN 0.821 nan 8.360 nan 0.000 0.417 181 E N 1.970 122.193 120.200 0.038 0.000 2.085 181 E HA -0.252 4.335 4.350 0.397 0.000 0.194 181 E C 0.437 177.058 176.600 0.034 0.000 0.994 181 E CA 1.614 58.033 56.400 0.032 0.000 0.801 181 E CB -0.216 29.496 29.700 0.021 0.000 0.743 181 E HN 0.476 nan 8.360 nan 0.000 0.453 182 D N 0.827 121.243 120.400 0.027 0.000 2.370 182 D HA 0.086 4.964 4.640 0.397 0.000 0.230 182 D C -0.471 175.841 176.300 0.019 0.000 1.143 182 D CA -0.327 53.683 54.000 0.018 0.000 0.834 182 D CB -0.042 40.759 40.800 0.002 0.000 0.944 182 D HN -0.086 nan 8.370 nan 0.000 0.504 183 D N 1.441 121.874 120.400 0.054 0.000 2.313 183 D HA 0.234 5.112 4.640 0.397 0.000 0.247 183 D C -2.066 174.288 176.300 0.090 0.000 1.094 183 D CA -1.613 52.436 54.000 0.082 0.000 0.925 183 D CB 0.789 41.729 40.800 0.233 0.000 1.188 183 D HN 0.052 nan 8.370 nan 0.000 0.430 184 P HA 0.104 nan 4.420 nan 0.000 0.269 184 P C 0.161 177.537 177.300 0.125 0.000 1.215 184 P CA -0.282 62.861 63.100 0.072 0.000 0.780 184 P CB 0.614 32.332 31.700 0.029 0.000 0.898 185 A N 1.915 124.793 122.820 0.096 0.000 1.927 185 A HA -0.275 4.283 4.320 0.397 0.000 0.220 185 A C 2.113 179.781 177.584 0.139 0.000 1.185 185 A CA 1.994 54.094 52.037 0.104 0.000 0.639 185 A CB -1.210 17.843 19.000 0.087 0.000 0.820 185 A HN 0.706 nan 8.150 nan 0.000 0.451 186 E N -1.485 118.813 120.200 0.164 0.000 2.152 186 E HA -0.169 4.419 4.350 0.397 0.000 0.192 186 E C 1.872 178.628 176.600 0.260 0.000 0.983 186 E CA 0.632 57.177 56.400 0.241 0.000 0.818 186 E CB -0.242 29.605 29.700 0.246 0.000 0.758 186 E HN 0.854 nan 8.360 nan 0.000 0.467 187 W N 1.838 123.152 121.300 0.023 0.000 2.363 187 W HA -0.204 4.692 4.660 0.395 0.000 0.296 187 W C 1.624 178.166 176.519 0.039 0.000 1.212 187 W CA 1.166 58.517 57.345 0.011 0.000 1.260 187 W CB 0.089 29.533 29.460 -0.027 0.000 1.131 187 W HN 0.001 nan 8.180 nan 0.000 0.530 188 K N -0.025 120.423 120.400 0.080 0.000 2.032 188 K HA -0.200 4.358 4.320 0.397 0.000 0.209 188 K C 1.751 178.293 176.600 -0.097 0.000 1.048 188 K CA 1.932 58.194 56.287 -0.042 0.000 0.927 188 K CB -0.784 31.737 32.500 0.035 0.000 0.712 188 K HN 0.044 nan 8.250 nan 0.000 0.441 189 V N 1.221 121.129 119.914 -0.011 0.000 2.343 189 V HA -0.238 4.120 4.120 0.397 0.000 0.247 189 V C 2.017 177.995 176.094 -0.193 0.000 1.051 189 V CA 1.679 63.978 62.300 -0.002 0.000 1.036 189 V CB -0.558 31.378 31.823 0.187 0.000 0.654 189 V HN 0.225 nan 8.190 nan 0.000 0.451 190 F N 0.641 120.246 119.950 -0.575 0.000 2.095 190 F HA -0.202 4.562 4.527 0.395 0.000 0.298 190 F C 2.019 177.379 175.800 -0.734 0.000 1.104 190 F CA 1.800 59.193 58.000 -1.012 0.000 1.232 190 F CB -0.275 38.063 39.000 -1.103 0.000 0.987 190 F HN 0.034 nan 8.300 nan 0.000 0.475 191 L N 0.019 120.794 121.223 -0.747 0.000 2.093 191 L HA -0.208 4.370 4.340 0.397 0.000 0.208 191 L C 2.246 178.832 176.870 -0.472 0.000 1.085 191 L CA 0.924 55.325 54.840 -0.730 0.000 0.755 191 L CB -0.923 40.709 42.059 -0.712 0.000 0.904 191 L HN 0.152 nan 8.230 nan 0.000 0.435 192 N N 0.596 119.102 118.700 -0.324 0.000 2.061 192 N HA -0.241 4.737 4.740 0.397 0.000 0.193 192 N C 1.878 177.289 175.510 -0.165 0.000 1.030 192 N CA 1.362 54.300 53.050 -0.187 0.000 0.856 192 N CB -0.469 37.960 38.487 -0.096 0.000 1.023 192 N HN 0.277 nan 8.380 nan 0.000 0.424 193 L N 0.662 121.759 121.223 -0.210 0.000 2.012 193 L HA -0.156 4.422 4.340 0.397 0.000 0.210 193 L C 2.029 178.822 176.870 -0.129 0.000 1.073 193 L CA 1.227 55.989 54.840 -0.131 0.000 0.748 193 L CB -0.236 41.734 42.059 -0.149 0.000 0.891 193 L HN 0.143 nan 8.230 nan 0.000 0.431 194 L N -0.707 120.329 121.223 -0.312 0.000 2.027 194 L HA -0.215 4.363 4.340 0.397 0.000 0.206 194 L C 2.846 179.698 176.870 -0.030 0.000 1.074 194 L CA 1.353 56.079 54.840 -0.189 0.000 0.745 194 L CB -0.548 41.267 42.059 -0.406 0.000 0.898 194 L HN 0.271 nan 8.230 nan 0.000 0.433 195 R N -0.439 119.989 120.500 -0.120 0.000 2.091 195 R HA -0.156 4.422 4.340 0.397 0.000 0.238 195 R C 2.242 178.579 176.300 0.062 0.000 1.136 195 R CA 2.047 58.125 56.100 -0.037 0.000 0.959 195 R CB -0.201 30.030 30.300 -0.114 0.000 0.856 195 R HN 0.319 nan 8.270 nan 0.000 0.437 196 T N 0.088 114.658 114.554 0.027 0.000 2.777 196 T HA -0.118 4.470 4.350 0.397 0.000 0.266 196 T C 1.694 176.437 174.700 0.072 0.000 1.040 196 T CA 1.307 63.434 62.100 0.045 0.000 1.141 196 T CB -0.208 68.681 68.868 0.035 0.000 0.868 196 T HN 0.155 nan 8.240 nan 0.000 0.444 197 R N 0.895 121.459 120.500 0.106 0.000 2.092 197 R HA 0.056 4.634 4.340 0.397 0.000 0.231 197 R C 1.855 178.234 176.300 0.131 0.000 1.119 197 R CA 1.119 57.289 56.100 0.117 0.000 0.970 197 R CB -1.177 29.241 30.300 0.195 0.000 0.864 197 R HN 0.393 nan 8.270 nan 0.000 0.440 198 F N 1.546 121.519 119.950 0.037 0.000 2.333 198 F HA -0.055 4.709 4.527 0.396 0.000 0.300 198 F C 1.504 177.306 175.800 0.004 0.000 1.083 198 F CA 1.439 59.457 58.000 0.030 0.000 1.395 198 F CB 0.012 39.035 39.000 0.037 0.000 1.056 198 F HN 0.176 nan 8.300 nan 0.000 0.529 199 E N -0.892 119.305 120.200 -0.005 0.000 2.110 199 E HA -0.188 4.400 4.350 0.397 0.000 0.193 199 E C 1.857 178.367 176.600 -0.149 0.000 0.988 199 E CA 1.821 58.170 56.400 -0.085 0.000 0.804 199 E CB -0.224 29.468 29.700 -0.013 0.000 0.745 199 E HN 0.494 nan 8.360 nan 0.000 0.458 200 T N -2.790 111.693 114.554 -0.119 0.000 3.010 200 T HA 0.082 4.670 4.350 0.397 0.000 0.257 200 T C 0.153 174.774 174.700 -0.133 0.000 1.020 200 T CA -0.309 61.726 62.100 -0.108 0.000 0.938 200 T CB 0.643 69.474 68.868 -0.062 0.000 1.049 200 T HN -0.156 nan 8.240 nan 0.000 0.522 201 D N 0.502 120.802 120.400 -0.165 0.000 2.354 201 D HA 0.256 5.134 4.640 0.397 0.000 0.230 201 D C 0.310 176.511 176.300 -0.165 0.000 1.361 201 D CA -0.378 53.530 54.000 -0.153 0.000 0.992 201 D CB 1.533 42.250 40.800 -0.137 0.000 1.409 201 D HN -0.155 nan 8.370 nan 0.000 0.573 202 K N 1.281 121.556 120.400 -0.209 0.000 2.400 202 K HA 0.053 4.611 4.320 0.397 0.000 0.194 202 K C 0.329 176.988 176.600 0.099 0.000 1.033 202 K CA 0.517 56.671 56.287 -0.221 0.000 1.021 202 K CB 0.595 32.914 32.500 -0.301 0.000 0.808 202 K HN 0.412 nan 8.250 nan 0.000 0.505 203 D N -0.679 119.736 120.400 0.025 0.000 2.673 203 D HA 0.031 4.909 4.640 0.397 0.000 0.278 203 D C 1.012 177.288 176.300 -0.040 0.000 1.393 203 D CA -0.322 53.706 54.000 0.047 0.000 0.805 203 D CB 0.325 41.143 40.800 0.030 0.000 1.110 203 D HN -0.125 nan 8.370 nan 0.000 0.476 204 K N 0.196 120.503 120.400 -0.155 0.000 2.009 204 K HA -0.160 4.398 4.320 0.397 0.000 0.210 204 K C 0.783 177.135 176.600 -0.414 0.000 1.049 204 K CA 1.574 57.611 56.287 -0.417 0.000 0.929 204 K CB -0.124 31.930 32.500 -0.745 0.000 0.714 204 K HN 0.277 nan 8.250 nan 0.000 0.440 205 W N 0.632 121.958 121.300 0.043 0.000 2.476 205 W HA 0.006 4.902 4.660 0.392 0.000 0.281 205 W C 2.270 178.809 176.519 0.034 0.000 1.230 205 W CA 0.683 58.047 57.345 0.032 0.000 1.287 205 W CB -0.400 29.071 29.460 0.018 0.000 1.108 205 W HN 0.070 nan 8.180 nan 0.000 0.567 206 T N 0.819 115.498 114.554 0.208 0.000 2.684 206 T HA -0.229 4.359 4.350 0.397 0.000 0.267 206 T C 1.604 176.359 174.700 0.090 0.000 1.036 206 T CA 1.669 63.847 62.100 0.130 0.000 1.148 206 T CB -0.290 68.638 68.868 0.100 0.000 0.863 206 T HN 0.120 nan 8.240 nan 0.000 0.436 207 K N 0.336 120.763 120.400 0.044 0.000 2.097 207 K HA 0.055 4.613 4.320 0.397 0.000 0.206 207 K C 2.239 178.853 176.600 0.023 0.000 1.049 207 K CA 1.030 57.325 56.287 0.014 0.000 0.933 207 K CB -0.272 32.212 32.500 -0.028 0.000 0.717 207 K HN 0.338 nan 8.250 nan 0.000 0.442 208 I N 0.726 121.318 120.570 0.036 0.000 2.252 208 I HA -0.240 4.168 4.170 0.397 0.000 0.245 208 I C 2.412 178.600 176.117 0.119 0.000 1.102 208 I CA 1.029 62.369 61.300 0.067 0.000 1.385 208 I CB -0.319 37.750 38.000 0.116 0.000 1.064 208 I HN 0.119 nan 8.210 nan 0.000 0.414 209 A N 0.379 123.318 122.820 0.198 0.000 2.019 209 A HA -0.200 4.358 4.320 0.397 0.000 0.219 209 A C 2.154 179.884 177.584 0.244 0.000 1.164 209 A CA 1.574 53.784 52.037 0.289 0.000 0.644 209 A CB -0.509 18.637 19.000 0.244 0.000 0.805 209 A HN 0.477 nan 8.150 nan 0.000 0.449 210 E N -0.839 119.444 120.200 0.138 0.000 2.216 210 E HA -0.072 4.516 4.350 0.397 0.000 0.192 210 E C 2.069 178.712 176.600 0.072 0.000 0.988 210 E CA 0.875 57.335 56.400 0.100 0.000 0.834 210 E CB -0.069 29.668 29.700 0.063 0.000 0.772 210 E HN 0.568 nan 8.360 nan 0.000 0.479 211 S N 0.341 116.065 115.700 0.040 0.000 2.436 211 S HA -0.025 4.683 4.470 0.397 0.000 0.228 211 S C 0.900 175.479 174.600 -0.035 0.000 1.014 211 S CA 0.024 58.219 58.200 -0.007 0.000 0.950 211 S CB 0.202 63.373 63.200 -0.048 0.000 0.784 211 S HN -0.067 nan 8.310 nan 0.000 0.504 212 V N 3.958 123.831 119.914 -0.068 0.000 2.446 212 V HA 0.141 4.499 4.120 0.397 0.000 0.276 212 V C 1.040 177.041 176.094 -0.155 0.000 1.030 212 V CA -0.031 62.116 62.300 -0.255 0.000 1.033 212 V CB 1.081 32.491 31.823 -0.689 0.000 0.993 212 V HN 0.354 nan 8.190 nan 0.000 0.477 213 K N 3.616 123.974 120.400 -0.071 0.000 2.228 213 K HA 0.194 4.752 4.320 0.397 0.000 0.202 213 K C 0.822 177.420 176.600 -0.003 0.000 1.051 213 K CA 0.847 57.151 56.287 0.030 0.000 0.960 213 K CB 0.363 32.953 32.500 0.149 0.000 0.743 213 K HN 0.828 nan 8.250 nan 0.000 0.458 214 G N 0.033 108.743 108.800 -0.150 0.000 2.519 214 G HA2 0.327 4.525 3.960 0.397 0.000 0.292 214 G HA3 0.327 4.525 3.960 0.397 0.000 0.292 214 G C -1.974 172.787 174.900 -0.231 0.000 1.507 214 G CA -0.589 44.439 45.100 -0.120 0.000 0.806 214 G HN -0.067 nan 8.290 nan 0.000 0.523 215 V N 0.556 120.416 119.914 -0.089 0.000 2.628 215 V HA 0.889 5.247 4.120 0.397 0.000 0.306 215 V C 0.062 176.139 176.094 -0.029 0.000 1.045 215 V CA 0.050 62.303 62.300 -0.078 0.000 0.905 215 V CB 2.145 33.978 31.823 0.017 0.000 0.997 215 V HN 1.408 nan 8.190 nan 0.000 0.436 216 T N 2.473 116.997 114.554 -0.049 0.000 2.779 216 T HA 0.693 5.281 4.350 0.397 0.000 0.280 216 T C -0.716 173.973 174.700 -0.018 0.000 0.987 216 T CA -0.563 61.522 62.100 -0.024 0.000 0.966 216 T CB 1.476 70.329 68.868 -0.025 0.000 0.933 216 T HN 0.734 nan 8.240 nan 0.000 0.442 217 E N 1.590 121.784 120.200 -0.009 0.000 2.165 217 E HA 0.278 4.866 4.350 0.397 0.000 0.266 217 E C 0.414 177.008 176.600 -0.011 0.000 0.889 217 E CA -0.659 55.726 56.400 -0.024 0.000 0.756 217 E CB 1.615 31.289 29.700 -0.042 0.000 1.131 217 E HN 0.713 nan 8.360 nan 0.000 0.411 218 E N 2.757 122.955 120.200 -0.003 0.000 2.452 218 E HA 0.063 4.651 4.350 0.397 0.000 0.197 218 E C -0.406 176.201 176.600 0.012 0.000 1.022 218 E CA 0.334 56.759 56.400 0.042 0.000 0.890 218 E CB 0.677 30.448 29.700 0.118 0.000 0.918 218 E HN 0.482 nan 8.360 nan 0.000 0.496 219 T N -1.383 113.140 114.554 -0.051 0.000 2.906 219 T HA 0.223 4.811 4.350 0.397 0.000 0.295 219 T C 0.886 175.533 174.700 -0.087 0.000 1.075 219 T CA -0.299 61.759 62.100 -0.070 0.000 1.005 219 T CB 1.754 70.556 68.868 -0.110 0.000 1.136 219 T HN -0.111 nan 8.240 nan 0.000 0.498 220 T N 1.826 116.348 114.554 -0.053 0.000 2.665 220 T HA -0.142 4.446 4.350 0.397 0.000 0.268 220 T C 1.991 176.664 174.700 -0.045 0.000 1.035 220 T CA 2.272 64.355 62.100 -0.029 0.000 1.151 220 T CB -0.667 68.197 68.868 -0.006 0.000 0.862 220 T HN 0.710 nan 8.240 nan 0.000 0.438 221 T N 1.221 115.725 114.554 -0.084 0.000 2.720 221 T HA -0.048 4.540 4.350 0.397 0.000 0.268 221 T C 2.308 176.956 174.700 -0.085 0.000 1.037 221 T CA 1.404 63.457 62.100 -0.078 0.000 1.144 221 T CB -0.917 67.862 68.868 -0.148 0.000 0.864 221 T HN 0.573 nan 8.240 nan 0.000 0.444 222 G N 0.786 109.484 108.800 -0.171 0.000 2.408 222 G HA2 -0.138 4.060 3.960 0.397 0.000 0.217 222 G HA3 -0.138 4.060 3.960 0.397 0.000 0.217 222 G C 1.703 176.552 174.900 -0.085 0.000 1.150 222 G CA 0.752 45.786 45.100 -0.110 0.000 0.776 222 G HN 0.436 nan 8.290 nan 0.000 0.542 223 V N 0.983 120.821 119.914 -0.127 0.000 2.295 223 V HA -0.164 4.194 4.120 0.397 0.000 0.246 223 V C 2.683 178.624 176.094 -0.254 0.000 1.049 223 V CA 1.685 63.843 62.300 -0.237 0.000 1.024 223 V CB -0.595 31.113 31.823 -0.191 0.000 0.648 223 V HN 0.378 nan 8.190 nan 0.000 0.447 224 L N 0.712 121.905 121.223 -0.049 0.000 2.043 224 L HA -0.218 4.360 4.340 0.397 0.000 0.212 224 L C 2.566 179.453 176.870 0.029 0.000 1.075 224 L CA 2.017 56.895 54.840 0.064 0.000 0.752 224 L CB -0.686 41.413 42.059 0.066 0.000 0.891 224 L HN 0.231 nan 8.230 nan 0.000 0.432 225 R N -0.894 119.604 120.500 -0.003 0.000 2.115 225 R HA -0.062 4.516 4.340 0.397 0.000 0.230 225 R C 2.302 178.632 176.300 0.051 0.000 1.111 225 R CA 1.364 57.453 56.100 -0.019 0.000 0.976 225 R CB -0.458 29.854 30.300 0.021 0.000 0.870 225 R HN 0.403 nan 8.270 nan 0.000 0.445 226 L N -0.475 120.772 121.223 0.040 0.000 2.056 226 L HA -0.165 4.413 4.340 0.397 0.000 0.207 226 L C 2.016 178.924 176.870 0.065 0.000 1.078 226 L CA 1.143 56.023 54.840 0.066 0.000 0.749 226 L CB -0.378 41.624 42.059 -0.095 0.000 0.901 226 L HN 0.138 nan 8.230 nan 0.000 0.433 227 Y N 0.425 120.756 120.300 0.052 0.000 2.224 227 Y HA -0.264 4.523 4.550 0.395 0.000 0.289 227 Y C 2.738 178.638 175.900 -0.000 0.000 1.146 227 Y CA 0.949 59.060 58.100 0.018 0.000 1.182 227 Y CB -0.769 37.692 38.460 0.001 0.000 0.983 227 Y HN 0.255 nan 8.280 nan 0.000 0.524 228 Q N -1.320 118.543 119.800 0.105 0.000 2.046 228 Q HA -0.170 4.408 4.340 0.397 0.000 0.200 228 Q C 2.081 178.048 176.000 -0.055 0.000 0.975 228 Q CA 1.611 57.394 55.803 -0.033 0.000 0.836 228 Q CB -0.449 28.201 28.738 -0.147 0.000 0.896 228 Q HN 0.354 nan 8.270 nan 0.000 0.428 229 F N 0.637 120.587 119.950 0.000 0.000 2.095 229 F HA -0.215 4.551 4.527 0.399 0.000 0.298 229 F C 2.392 178.176 175.800 -0.027 0.000 1.104 229 F CA 1.273 59.256 58.000 -0.028 0.000 1.232 229 F CB -0.744 38.224 39.000 -0.054 0.000 0.987 229 F HN 0.072 nan 8.300 nan 0.000 0.475 230 A N -0.422 122.513 122.820 0.191 0.000 1.969 230 A HA 0.007 4.565 4.320 0.397 0.000 0.218 230 A C 2.333 179.963 177.584 0.076 0.000 1.169 230 A CA 1.560 53.663 52.037 0.111 0.000 0.635 230 A CB -1.192 17.880 19.000 0.119 0.000 0.810 230 A HN 0.296 nan 8.150 nan 0.000 0.445 231 A N -0.575 122.287 122.820 0.071 0.000 2.067 231 A HA 0.371 4.929 4.320 0.397 0.000 0.217 231 A C 2.169 179.765 177.584 0.021 0.000 1.156 231 A CA 1.352 53.408 52.037 0.033 0.000 0.683 231 A CB -0.556 18.455 19.000 0.019 0.000 0.808 231 A HN 0.968 nan 8.150 nan 0.000 0.455 232 A N -1.428 121.411 122.820 0.031 0.000 2.238 232 A HA 0.409 4.967 4.320 0.397 0.000 0.208 232 A C 1.734 179.340 177.584 0.036 0.000 1.177 232 A CA 1.079 53.133 52.037 0.028 0.000 0.804 232 A CB -0.954 18.064 19.000 0.029 0.000 0.823 232 A HN 1.776 nan 8.150 nan 0.000 0.482 233 G N -0.376 108.447 108.800 0.038 0.000 2.160 233 G HA2 -0.237 3.961 3.960 0.397 0.000 0.251 233 G HA3 -0.237 3.961 3.960 0.397 0.000 0.251 233 G C 0.127 175.037 174.900 0.016 0.000 1.008 233 G CA 0.528 45.642 45.100 0.024 0.000 0.724 233 G HN 0.464 nan 8.290 nan 0.000 0.514 234 D N -0.773 119.654 120.400 0.046 0.000 2.395 234 D HA 0.164 5.042 4.640 0.397 0.000 0.213 234 D C 0.965 177.185 176.300 -0.133 0.000 1.110 234 D CA -0.327 53.678 54.000 0.009 0.000 0.835 234 D CB 0.448 41.331 40.800 0.139 0.000 0.965 234 D HN 0.367 nan 8.370 nan 0.000 0.505 235 L N 1.414 122.567 121.223 -0.117 0.000 2.407 235 L HA 0.255 4.833 4.340 0.397 0.000 0.282 235 L C 1.184 177.833 176.870 -0.369 0.000 1.110 235 L CA -0.121 54.554 54.840 -0.275 0.000 0.863 235 L CB 0.684 42.675 42.059 -0.113 0.000 1.207 235 L HN -0.084 nan 8.230 nan 0.000 0.454 236 A N 5.490 127.883 122.820 -0.712 0.000 2.169 236 A HA 0.236 4.794 4.320 0.397 0.000 0.212 236 A C 0.139 177.506 177.584 -0.363 0.000 1.153 236 A CA 0.555 52.260 52.037 -0.554 0.000 0.756 236 A CB -0.540 18.144 19.000 -0.526 0.000 0.813 236 A HN 0.641 nan 8.150 nan 0.000 0.471 237 F N -3.655 116.296 119.950 0.001 0.000 2.662 237 F HA 0.678 5.435 4.527 0.383 0.000 0.312 237 F C -3.208 172.623 175.800 0.051 0.000 1.113 237 F CA -3.751 54.261 58.000 0.021 0.000 0.951 237 F CB 0.510 39.510 39.000 0.000 0.000 1.344 237 F HN -0.314 nan 8.300 nan 0.000 0.462 238 P HA 0.429 nan 4.420 nan 0.000 0.274 238 P C -1.204 176.250 177.300 0.255 0.000 1.231 238 P CA -0.099 63.174 63.100 0.288 0.000 0.790 238 P CB 1.239 33.067 31.700 0.214 0.000 0.951 239 A N 2.789 125.764 122.820 0.257 0.000 2.393 239 A HA 0.682 5.240 4.320 0.397 0.000 0.306 239 A C -0.614 177.076 177.584 0.178 0.000 1.050 239 A CA -0.801 51.339 52.037 0.173 0.000 0.724 239 A CB 0.780 19.859 19.000 0.133 0.000 1.248 239 A HN 0.430 nan 8.150 nan 0.000 0.424 240 I N 2.233 122.855 120.570 0.086 0.000 2.336 240 I HA 0.197 4.605 4.170 0.397 0.000 0.292 240 I C 0.050 176.205 176.117 0.063 0.000 0.991 240 I CA -0.675 60.689 61.300 0.106 0.000 1.227 240 I CB 1.592 39.628 38.000 0.060 0.000 1.366 240 I HN 0.695 nan 8.210 nan 0.000 0.466 241 N N 6.508 125.250 118.700 0.071 0.000 2.402 241 N HA 0.079 5.057 4.740 0.397 0.000 0.259 241 N C 0.400 175.939 175.510 0.049 0.000 1.167 241 N CA 0.067 53.129 53.050 0.020 0.000 0.949 241 N CB 1.172 39.664 38.487 0.009 0.000 1.212 241 N HN 0.415 nan 8.380 nan 0.000 0.493 242 V N 3.396 123.331 119.914 0.036 0.000 2.951 242 V HA -0.082 4.276 4.120 0.397 0.000 0.255 242 V C 2.293 178.415 176.094 0.048 0.000 1.088 242 V CA 0.762 63.093 62.300 0.050 0.000 1.109 242 V CB -0.777 31.081 31.823 0.059 0.000 0.724 242 V HN 0.744 nan 8.190 nan 0.000 0.471 243 N N 1.045 119.765 118.700 0.033 0.000 2.104 243 N HA -0.206 4.772 4.740 0.397 0.000 0.190 243 N C 1.005 176.541 175.510 0.043 0.000 1.024 243 N CA 1.763 54.832 53.050 0.031 0.000 0.853 243 N CB -0.007 38.486 38.487 0.011 0.000 1.008 243 N HN 0.413 nan 8.380 nan 0.000 0.424 244 D N 0.498 120.932 120.400 0.058 0.000 2.328 244 D HA 0.080 4.958 4.640 0.397 0.000 0.226 244 D C -0.030 176.316 176.300 0.077 0.000 1.066 244 D CA 0.110 54.155 54.000 0.075 0.000 0.861 244 D CB 0.075 40.938 40.800 0.105 0.000 0.912 244 D HN 0.053 nan 8.370 nan 0.000 0.521 245 S N 0.078 115.816 115.700 0.065 0.000 2.558 245 S HA 0.013 4.721 4.470 0.397 0.000 0.288 245 S C 1.953 176.582 174.600 0.047 0.000 1.318 245 S CA -0.535 57.697 58.200 0.052 0.000 1.056 245 S CB 1.764 64.987 63.200 0.037 0.000 0.853 245 S HN -0.037 nan 8.310 nan 0.000 0.505 246 V N 3.116 123.045 119.914 0.025 0.000 2.332 246 V HA -0.192 4.166 4.120 0.397 0.000 0.248 246 V C 2.534 178.696 176.094 0.113 0.000 1.055 246 V CA 2.206 64.502 62.300 -0.006 0.000 1.038 246 V CB -1.583 30.096 31.823 -0.240 0.000 0.651 246 V HN 1.064 nan 8.190 nan 0.000 0.450 247 T N -2.897 111.693 114.554 0.060 0.000 3.118 247 T HA -0.040 4.548 4.350 0.397 0.000 0.260 247 T C 1.673 176.414 174.700 0.069 0.000 1.139 247 T CA 0.743 62.847 62.100 0.007 0.000 1.085 247 T CB 0.137 68.881 68.868 -0.207 0.000 0.934 247 T HN 0.313 nan 8.240 nan 0.000 0.518 248 K N 1.932 122.380 120.400 0.080 0.000 2.107 248 K HA 0.054 4.612 4.320 0.397 0.000 0.211 248 K C 2.775 179.424 176.600 0.082 0.000 1.024 248 K CA 1.421 57.745 56.287 0.061 0.000 0.953 248 K CB -0.702 31.822 32.500 0.040 0.000 0.831 248 K HN 0.417 nan 8.250 nan 0.000 0.454 249 S N 1.747 117.478 115.700 0.052 0.000 2.372 249 S HA -0.141 4.567 4.470 0.397 0.000 0.227 249 S C 1.629 176.187 174.600 -0.070 0.000 1.044 249 S CA 1.260 59.461 58.200 0.003 0.000 1.050 249 S CB -0.299 62.904 63.200 0.006 0.000 0.901 249 S HN 0.232 nan 8.310 nan 0.000 0.447 250 K N -0.017 120.339 120.400 -0.074 0.000 2.459 250 K HA 0.232 4.790 4.320 0.397 0.000 0.193 250 K C 0.895 177.091 176.600 -0.674 0.000 1.030 250 K CA 0.460 56.535 56.287 -0.353 0.000 1.026 250 K CB -0.226 32.047 32.500 -0.378 0.000 0.809 250 K HN 0.573 nan 8.250 nan 0.000 0.504 251 F N 0.161 120.012 119.950 -0.164 0.000 2.463 251 F HA 0.034 4.799 4.527 0.396 0.000 0.271 251 F C 2.166 177.913 175.800 -0.087 0.000 0.888 251 F CA -0.055 57.917 58.000 -0.046 0.000 1.149 251 F CB -0.258 38.765 39.000 0.038 0.000 1.071 251 F HN -0.101 nan 8.300 nan 0.000 0.802 252 D N 1.021 121.483 120.400 0.103 0.000 2.088 252 D HA -0.184 4.694 4.640 0.397 0.000 0.191 252 D C 1.457 177.727 176.300 -0.049 0.000 0.992 252 D CA 2.051 56.066 54.000 0.024 0.000 0.831 252 D CB -0.354 40.490 40.800 0.074 0.000 0.973 252 D HN 0.096 nan 8.370 nan 0.000 0.447 253 N N 0.312 119.000 118.700 -0.019 0.000 2.166 253 N HA -0.121 4.857 4.740 0.397 0.000 0.186 253 N C 1.649 177.073 175.510 -0.143 0.000 1.019 253 N CA 0.951 53.985 53.050 -0.027 0.000 0.856 253 N CB -0.147 38.315 38.487 -0.041 0.000 0.993 253 N HN 0.354 nan 8.380 nan 0.000 0.426 254 K N -0.452 119.781 120.400 -0.278 0.000 2.054 254 K HA 0.012 4.570 4.320 0.397 0.000 0.207 254 K C 1.279 177.670 176.600 -0.348 0.000 1.031 254 K CA 0.631 56.673 56.287 -0.408 0.000 0.952 254 K CB -0.165 31.930 32.500 -0.674 0.000 0.775 254 K HN 0.030 nan 8.250 nan 0.000 0.447 255 Y N 0.484 120.699 120.300 -0.141 0.000 2.457 255 Y HA 0.107 4.895 4.550 0.396 0.000 0.292 255 Y C 2.253 178.049 175.900 -0.173 0.000 1.125 255 Y CA 0.810 58.847 58.100 -0.105 0.000 1.254 255 Y CB -0.856 37.583 38.460 -0.035 0.000 1.012 255 Y HN 0.293 nan 8.280 nan 0.000 0.555 256 G N -0.592 108.048 108.800 -0.267 0.000 2.404 256 G HA2 -0.215 3.983 3.960 0.397 0.000 0.215 256 G HA3 -0.215 3.983 3.960 0.397 0.000 0.215 256 G C 1.745 176.255 174.900 -0.650 0.000 1.174 256 G CA 1.554 46.181 45.100 -0.787 0.000 0.780 256 G HN 0.322 nan 8.290 nan 0.000 0.537 257 T N 0.246 114.546 114.554 -0.424 0.000 2.788 257 T HA -0.100 4.488 4.350 0.397 0.000 0.268 257 T C 2.286 176.991 174.700 0.009 0.000 1.044 257 T CA 1.241 63.315 62.100 -0.043 0.000 1.139 257 T CB -0.127 68.742 68.868 0.001 0.000 0.867 257 T HN 0.332 nan 8.240 nan 0.000 0.454 258 R N 0.087 120.591 120.500 0.006 0.000 2.105 258 R HA -0.191 4.387 4.340 0.397 0.000 0.239 258 R C 2.415 178.762 176.300 0.078 0.000 1.135 258 R CA 1.509 57.643 56.100 0.056 0.000 0.967 258 R CB -0.345 30.023 30.300 0.112 0.000 0.861 258 R HN 0.513 nan 8.270 nan 0.000 0.442 259 H N -0.158 118.915 119.070 0.006 0.000 2.307 259 H HA -0.040 4.754 4.556 0.397 0.000 0.303 259 H C 1.915 177.269 175.328 0.043 0.000 1.073 259 H CA 2.075 58.136 56.048 0.023 0.000 1.338 259 H CB 0.023 29.799 29.762 0.022 0.000 1.389 259 H HN 0.389 nan 8.280 nan 0.000 0.503 260 S N 0.394 116.241 115.700 0.245 0.000 2.501 260 S HA -0.044 4.664 4.470 0.397 0.000 0.220 260 S C 2.164 176.836 174.600 0.119 0.000 0.997 260 S CA 0.477 58.822 58.200 0.241 0.000 0.919 260 S CB -0.249 63.167 63.200 0.360 0.000 0.778 260 S HN 0.290 nan 8.310 nan 0.000 0.523 261 L N 2.997 124.270 121.223 0.083 0.000 2.005 261 L HA 0.147 4.725 4.340 0.397 0.000 0.207 261 L C 2.220 179.103 176.870 0.022 0.000 1.072 261 L CA 1.769 56.638 54.840 0.048 0.000 0.744 261 L CB -0.703 41.374 42.059 0.031 0.000 0.895 261 L HN 0.527 nan 8.230 nan 0.000 0.433 262 I N -3.128 117.442 120.570 0.000 0.000 2.394 262 I HA -0.132 4.276 4.170 0.397 0.000 0.251 262 I C 2.146 178.249 176.117 -0.022 0.000 1.136 262 I CA 1.632 62.922 61.300 -0.016 0.000 1.425 262 I CB -0.894 37.087 38.000 -0.032 0.000 1.079 262 I HN 0.244 nan 8.210 nan 0.000 0.425 263 D N 1.866 122.247 120.400 -0.033 0.000 2.092 263 D HA -0.142 4.736 4.640 0.397 0.000 0.193 263 D C 2.300 178.610 176.300 0.016 0.000 0.994 263 D CA 2.096 56.087 54.000 -0.016 0.000 0.828 263 D CB -0.443 40.357 40.800 0.000 0.000 0.963 263 D HN 0.405 nan 8.370 nan 0.000 0.450 264 G N 0.592 109.410 108.800 0.030 0.000 2.446 264 G HA2 -0.226 3.972 3.960 0.397 0.000 0.217 264 G HA3 -0.226 3.972 3.960 0.397 0.000 0.217 264 G C 1.957 176.868 174.900 0.018 0.000 1.168 264 G CA 0.966 46.082 45.100 0.028 0.000 0.771 264 G HN 0.396 nan 8.290 nan 0.000 0.551 265 I N 0.995 121.574 120.570 0.015 0.000 2.179 265 I HA -0.195 4.213 4.170 0.397 0.000 0.242 265 I C 2.593 178.717 176.117 0.012 0.000 1.088 265 I CA 0.977 62.285 61.300 0.014 0.000 1.357 265 I CB -0.373 37.634 38.000 0.012 0.000 1.051 265 I HN 0.073 nan 8.210 nan 0.000 0.409 266 N N 1.323 120.027 118.700 0.007 0.000 2.036 266 N HA -0.186 4.792 4.740 0.397 0.000 0.195 266 N C 1.897 177.413 175.510 0.009 0.000 1.037 266 N CA 1.516 54.569 53.050 0.005 0.000 0.855 266 N CB -0.434 38.051 38.487 -0.003 0.000 1.033 266 N HN 0.375 nan 8.380 nan 0.000 0.423 267 R N -0.172 120.335 120.500 0.011 0.000 2.092 267 R HA 0.018 4.596 4.340 0.397 0.000 0.231 267 R C 2.279 178.584 176.300 0.008 0.000 1.119 267 R CA 1.206 57.313 56.100 0.012 0.000 0.970 267 R CB -0.564 29.747 30.300 0.018 0.000 0.864 267 R HN 0.268 nan 8.270 nan 0.000 0.440 268 G N 0.292 109.097 108.800 0.008 0.000 2.403 268 G HA2 -0.231 3.967 3.960 0.397 0.000 0.216 268 G HA3 -0.231 3.967 3.960 0.397 0.000 0.216 268 G C 1.471 176.378 174.900 0.010 0.000 1.154 268 G CA 1.388 46.490 45.100 0.004 0.000 0.784 268 G HN 0.472 nan 8.290 nan 0.000 0.538 269 T N -4.049 110.514 114.554 0.016 0.000 2.954 269 T HA 0.131 4.719 4.350 0.397 0.000 0.252 269 T C 0.784 175.498 174.700 0.024 0.000 0.983 269 T CA 0.858 62.972 62.100 0.024 0.000 0.941 269 T CB 0.278 69.165 68.868 0.032 0.000 1.141 269 T HN 0.142 nan 8.240 nan 0.000 0.500 270 D N 2.003 122.413 120.400 0.017 0.000 2.792 270 D HA -0.138 4.740 4.640 0.397 0.000 0.231 270 D C 0.278 176.588 176.300 0.018 0.000 1.160 270 D CA 0.927 54.936 54.000 0.015 0.000 0.697 270 D CB -1.425 39.383 40.800 0.013 0.000 1.070 270 D HN 0.852 nan 8.370 nan 0.000 0.426 271 A N 0.383 123.216 122.820 0.022 0.000 2.363 271 A HA 0.450 5.008 4.320 0.397 0.000 0.270 271 A C 0.449 178.044 177.584 0.019 0.000 1.121 271 A CA -0.555 51.497 52.037 0.025 0.000 0.800 271 A CB 0.776 19.796 19.000 0.033 0.000 1.052 271 A HN 0.289 nan 8.150 nan 0.000 0.493 272 L N 3.115 124.348 121.223 0.017 0.000 2.499 272 L HA 0.128 4.706 4.340 0.397 0.000 0.273 272 L C 0.710 177.589 176.870 0.016 0.000 1.195 272 L CA 0.661 55.510 54.840 0.014 0.000 0.882 272 L CB 0.031 42.098 42.059 0.013 0.000 1.133 272 L HN 0.730 nan 8.230 nan 0.000 0.483 273 I N 3.581 124.159 120.570 0.013 0.000 2.556 273 I HA 0.133 4.541 4.170 0.397 0.000 0.251 273 I C 1.512 177.639 176.117 0.018 0.000 1.105 273 I CA 0.530 61.839 61.300 0.015 0.000 1.436 273 I CB -0.601 37.406 38.000 0.012 0.000 1.139 273 I HN 0.855 nan 8.210 nan 0.000 0.438 274 G N 0.353 109.163 108.800 0.017 0.000 2.287 274 G HA2 0.254 4.452 3.960 0.397 0.000 0.235 274 G HA3 0.254 4.452 3.960 0.397 0.000 0.235 274 G C 1.125 176.036 174.900 0.019 0.000 1.258 274 G CA 0.401 45.513 45.100 0.019 0.000 0.884 274 G HN 0.681 nan 8.290 nan 0.000 0.518 275 G N 1.269 110.082 108.800 0.021 0.000 2.234 275 G HA2 -0.265 3.933 3.960 0.397 0.000 0.260 275 G HA3 -0.265 3.933 3.960 0.397 0.000 0.260 275 G C 0.649 175.561 174.900 0.020 0.000 0.987 275 G CA 0.799 45.911 45.100 0.019 0.000 0.625 275 G HN 0.782 nan 8.290 nan 0.000 0.532 276 K N 0.763 121.176 120.400 0.021 0.000 2.098 276 K HA 0.455 5.013 4.320 0.397 0.000 0.261 276 K C 0.298 176.910 176.600 0.021 0.000 0.987 276 K CA -0.577 55.722 56.287 0.021 0.000 0.916 276 K CB 1.175 33.688 32.500 0.020 0.000 1.039 276 K HN 0.217 nan 8.250 nan 0.000 0.455 277 K N 1.530 121.941 120.400 0.018 0.000 2.312 277 K HA 0.240 4.798 4.320 0.397 0.000 0.287 277 K C -0.599 176.006 176.600 0.007 0.000 1.062 277 K CA -0.341 55.955 56.287 0.015 0.000 0.934 277 K CB 0.851 33.358 32.500 0.012 0.000 1.027 277 K HN 0.199 nan 8.250 nan 0.000 0.478 278 V N 4.940 124.854 119.914 -0.001 0.000 2.540 278 V HA 0.317 4.675 4.120 0.397 0.000 0.302 278 V C -0.858 175.214 176.094 -0.037 0.000 1.035 278 V CA -1.040 61.250 62.300 -0.016 0.000 0.873 278 V CB 1.670 33.481 31.823 -0.020 0.000 0.992 278 V HN 0.532 nan 8.190 nan 0.000 0.428 279 L N 6.415 127.614 121.223 -0.040 0.000 2.298 279 L HA 0.618 5.196 4.340 0.397 0.000 0.284 279 L C -0.733 176.101 176.870 -0.060 0.000 1.013 279 L CA -0.006 54.802 54.840 -0.054 0.000 0.824 279 L CB 1.097 43.127 42.059 -0.048 0.000 1.221 279 L HN 0.411 nan 8.230 nan 0.000 0.418 280 I N 4.731 125.253 120.570 -0.080 0.000 2.321 280 I HA 0.246 4.654 4.170 0.397 0.000 0.291 280 I C -0.370 175.722 176.117 -0.041 0.000 0.998 280 I CA -0.375 60.888 61.300 -0.062 0.000 1.227 280 I CB 1.016 38.967 38.000 -0.083 0.000 1.368 280 I HN 0.573 nan 8.210 nan 0.000 0.466 281 C N 5.147 124.430 119.300 -0.027 0.000 2.303 281 C HA 0.751 5.449 4.460 0.397 0.000 0.341 281 C C 0.882 175.876 174.990 0.008 0.000 1.244 281 C CA -0.364 58.644 59.018 -0.018 0.000 1.765 281 C CB -0.351 27.372 27.740 -0.028 0.000 2.379 281 C HN 1.081 nan 8.230 nan 0.000 0.530 282 G N 2.305 111.123 108.800 0.030 0.000 2.907 282 G HA2 -0.086 4.112 3.960 0.397 0.000 0.686 282 G HA3 -0.086 4.112 3.960 0.397 0.000 0.686 282 G C -1.148 173.827 174.900 0.124 0.000 1.115 282 G CA -0.600 44.534 45.100 0.057 0.000 0.760 282 G HN 0.853 nan 8.290 nan 0.000 0.620 283 Y N 2.327 122.609 120.300 -0.031 0.000 2.685 283 Y HA 0.505 5.294 4.550 0.398 0.000 0.257 283 Y C 1.329 177.216 175.900 -0.021 0.000 1.053 283 Y CA 0.457 58.538 58.100 -0.031 0.000 1.106 283 Y CB 0.076 38.526 38.460 -0.016 0.000 1.193 283 Y HN 1.014 nan 8.280 nan 0.000 0.602 284 G N 0.143 108.895 108.800 -0.081 0.000 2.468 284 G HA2 -0.044 4.154 3.960 0.397 0.000 0.264 284 G HA3 -0.044 4.154 3.960 0.397 0.000 0.264 284 G C 0.673 175.437 174.900 -0.226 0.000 1.460 284 G CA 0.282 45.310 45.100 -0.119 0.000 1.060 284 G HN 0.266 nan 8.290 nan 0.000 0.543 285 D N -1.075 119.221 120.400 -0.173 0.000 2.123 285 D HA -0.129 4.749 4.640 0.397 0.000 0.196 285 D C 2.724 178.902 176.300 -0.203 0.000 0.992 285 D CA 0.966 54.839 54.000 -0.212 0.000 0.833 285 D CB -0.345 40.356 40.800 -0.165 0.000 0.954 285 D HN 0.064 nan 8.370 nan 0.000 0.455 286 V N 1.043 120.879 119.914 -0.129 0.000 2.307 286 V HA -0.128 4.230 4.120 0.397 0.000 0.245 286 V C 2.616 178.646 176.094 -0.107 0.000 1.045 286 V CA 2.008 64.257 62.300 -0.085 0.000 1.024 286 V CB -1.059 30.750 31.823 -0.024 0.000 0.651 286 V HN 0.224 nan 8.190 nan 0.000 0.449 287 G N -0.294 108.432 108.800 -0.123 0.000 2.418 287 G HA2 -0.256 3.942 3.960 0.397 0.000 0.217 287 G HA3 -0.256 3.942 3.960 0.397 0.000 0.217 287 G C 1.662 176.436 174.900 -0.211 0.000 1.158 287 G CA 0.952 45.990 45.100 -0.103 0.000 0.771 287 G HN 0.467 nan 8.290 nan 0.000 0.545 288 K N 0.073 120.171 120.400 -0.504 0.000 2.032 288 K HA -0.073 4.485 4.320 0.397 0.000 0.209 288 K C 2.755 179.225 176.600 -0.216 0.000 1.048 288 K CA 1.159 57.091 56.287 -0.591 0.000 0.927 288 K CB -0.489 31.628 32.500 -0.639 0.000 0.712 288 K HN 0.273 nan 8.250 nan 0.000 0.441 289 G N 0.859 109.546 108.800 -0.189 0.000 2.418 289 G HA2 -0.274 3.924 3.960 0.397 0.000 0.217 289 G HA3 -0.274 3.924 3.960 0.397 0.000 0.217 289 G C 1.645 176.519 174.900 -0.044 0.000 1.158 289 G CA 1.082 46.121 45.100 -0.102 0.000 0.771 289 G HN 0.333 nan 8.290 nan 0.000 0.545 290 C N 0.956 120.223 119.300 -0.055 0.000 2.413 290 C HA 0.084 4.782 4.460 0.397 0.000 0.277 290 C C 3.569 178.527 174.990 -0.054 0.000 1.228 290 C CA 1.077 60.071 59.018 -0.039 0.000 1.731 290 C CB -1.073 26.642 27.740 -0.042 0.000 2.042 290 C HN 0.576 nan 8.230 nan 0.000 0.468 291 A N 0.168 122.931 122.820 -0.094 0.000 1.908 291 A HA -0.262 4.296 4.320 0.397 0.000 0.218 291 A C 2.100 179.669 177.584 -0.025 0.000 1.181 291 A CA 2.113 54.013 52.037 -0.227 0.000 0.627 291 A CB -0.743 17.941 19.000 -0.526 0.000 0.818 291 A HN 0.753 nan 8.150 nan 0.000 0.445 292 E N -0.156 120.098 120.200 0.091 0.000 2.077 292 E HA -0.101 4.487 4.350 0.397 0.000 0.193 292 E C 2.116 178.780 176.600 0.107 0.000 0.989 292 E CA 1.101 57.600 56.400 0.165 0.000 0.800 292 E CB -0.299 29.488 29.700 0.144 0.000 0.746 292 E HN 0.521 nan 8.360 nan 0.000 0.452 293 A N 1.157 124.012 122.820 0.059 0.000 1.865 293 A HA -0.210 4.348 4.320 0.397 0.000 0.217 293 A C 2.223 179.828 177.584 0.036 0.000 1.191 293 A CA 1.870 53.931 52.037 0.040 0.000 0.623 293 A CB -0.495 18.517 19.000 0.020 0.000 0.826 293 A HN 0.301 nan 8.150 nan 0.000 0.444 294 M N -0.418 119.195 119.600 0.022 0.000 2.080 294 M HA -0.142 4.576 4.480 0.397 0.000 0.260 294 M C 2.129 178.465 176.300 0.060 0.000 1.068 294 M CA 2.028 57.341 55.300 0.020 0.000 1.109 294 M CB -1.189 31.401 32.600 -0.018 0.000 1.342 294 M HN 0.568 nan 8.290 nan 0.000 0.405 295 K N -0.088 120.381 120.400 0.114 0.000 2.063 295 K HA -0.128 4.430 4.320 0.397 0.000 0.208 295 K C 1.977 178.641 176.600 0.108 0.000 1.048 295 K CA 1.645 58.036 56.287 0.173 0.000 0.928 295 K CB -0.400 32.291 32.500 0.318 0.000 0.713 295 K HN 0.404 nan 8.250 nan 0.000 0.442 296 G N 0.278 109.132 108.800 0.089 0.000 2.448 296 G HA2 -0.209 3.989 3.960 0.397 0.000 0.219 296 G HA3 -0.209 3.989 3.960 0.397 0.000 0.219 296 G C 1.276 176.201 174.900 0.040 0.000 1.127 296 G CA 0.275 45.411 45.100 0.059 0.000 0.766 296 G HN 0.305 nan 8.290 nan 0.000 0.552 297 Q N -0.230 119.593 119.800 0.038 0.000 2.403 297 Q HA 0.174 4.752 4.340 0.397 0.000 0.203 297 Q C 1.698 177.715 176.000 0.028 0.000 0.932 297 Q CA 0.612 56.430 55.803 0.025 0.000 0.945 297 Q CB 0.565 29.313 28.738 0.017 0.000 1.045 297 Q HN 0.556 nan 8.270 nan 0.000 0.511 298 G N 0.465 109.288 108.800 0.039 0.000 2.157 298 G HA2 -0.266 3.932 3.960 0.397 0.000 0.239 298 G HA3 -0.266 3.932 3.960 0.397 0.000 0.239 298 G C 0.367 175.292 174.900 0.042 0.000 0.982 298 G CA 0.082 45.204 45.100 0.037 0.000 0.650 298 G HN 0.549 nan 8.290 nan 0.000 0.527 299 A N 0.040 122.889 122.820 0.048 0.000 2.425 299 A HA 0.641 5.199 4.320 0.397 0.000 0.242 299 A C 0.826 178.452 177.584 0.070 0.000 1.077 299 A CA 0.230 52.296 52.037 0.048 0.000 0.781 299 A CB 0.207 19.229 19.000 0.037 0.000 1.020 299 A HN 0.520 nan 8.150 nan 0.000 0.494 300 R N 1.551 122.086 120.500 0.058 0.000 2.408 300 R HA 0.357 4.935 4.340 0.397 0.000 0.308 300 R C -1.112 175.232 176.300 0.073 0.000 1.210 300 R CA -0.312 55.831 56.100 0.071 0.000 1.115 300 R CB 0.547 30.874 30.300 0.046 0.000 1.127 300 R HN 0.433 nan 8.270 nan 0.000 0.523 301 V N 2.315 122.304 119.914 0.125 0.000 2.465 301 V HA 0.234 4.592 4.120 0.397 0.000 0.279 301 V C 0.275 176.409 176.094 0.067 0.000 1.045 301 V CA -0.246 62.080 62.300 0.042 0.000 0.938 301 V CB 1.625 33.382 31.823 -0.109 0.000 0.986 301 V HN 0.671 nan 8.190 nan 0.000 0.467 302 S N 3.102 118.788 115.700 -0.023 0.000 2.607 302 S HA 0.803 5.511 4.470 0.397 0.000 0.303 302 S C -0.624 173.917 174.600 -0.098 0.000 1.086 302 S CA -0.640 57.546 58.200 -0.023 0.000 0.995 302 S CB 2.173 65.367 63.200 -0.010 0.000 1.084 302 S HN 0.439 nan 8.310 nan 0.000 0.507 303 V N 1.895 121.753 119.914 -0.093 0.000 2.735 303 V HA 0.682 5.040 4.120 0.397 0.000 0.310 303 V C 0.150 176.201 176.094 -0.071 0.000 1.061 303 V CA -0.758 61.471 62.300 -0.119 0.000 0.913 303 V CB 2.134 33.822 31.823 -0.226 0.000 1.005 303 V HN 1.052 nan 8.190 nan 0.000 0.428 304 T N 0.937 115.461 114.554 -0.049 0.000 2.895 304 T HA 0.835 5.423 4.350 0.397 0.000 0.283 304 T C -0.798 173.898 174.700 -0.006 0.000 1.014 304 T CA -0.538 61.541 62.100 -0.034 0.000 1.037 304 T CB 2.186 71.028 68.868 -0.043 0.000 1.006 304 T HN 0.607 nan 8.240 nan 0.000 0.468 305 E N 1.002 121.201 120.200 -0.002 0.000 2.380 305 E HA 0.282 4.870 4.350 0.397 0.000 0.281 305 E C 0.226 176.832 176.600 0.010 0.000 0.999 305 E CA -0.553 55.858 56.400 0.019 0.000 0.800 305 E CB 1.868 31.588 29.700 0.033 0.000 1.228 305 E HN 0.773 nan 8.360 nan 0.000 0.436 306 I N -1.885 118.694 120.570 0.016 0.000 3.462 306 I HA 0.302 4.710 4.170 0.397 0.000 0.290 306 I C 0.646 176.771 176.117 0.013 0.000 1.236 306 I CA 0.268 61.574 61.300 0.011 0.000 1.418 306 I CB 0.329 38.335 38.000 0.009 0.000 1.102 306 I HN 0.097 nan 8.210 nan 0.000 0.441 307 D N 3.029 123.442 120.400 0.023 0.000 2.317 307 D HA 0.249 5.127 4.640 0.397 0.000 0.234 307 D C -1.645 174.671 176.300 0.026 0.000 1.112 307 D CA -2.411 51.603 54.000 0.024 0.000 0.840 307 D CB 1.936 42.755 40.800 0.031 0.000 1.078 307 D HN 0.017 nan 8.370 nan 0.000 0.486 308 P HA -0.056 nan 4.420 nan 0.000 0.223 308 P C 1.791 179.104 177.300 0.021 0.000 1.151 308 P CA 0.532 63.641 63.100 0.014 0.000 0.787 308 P CB 0.613 32.318 31.700 0.007 0.000 0.788 309 I N 0.519 121.105 120.570 0.026 0.000 2.142 309 I HA -0.246 4.162 4.170 0.397 0.000 0.240 309 I C 2.415 178.570 176.117 0.063 0.000 1.078 309 I CA 1.484 62.805 61.300 0.034 0.000 1.343 309 I CB -0.926 37.091 38.000 0.027 0.000 1.046 309 I HN -0.039 nan 8.210 nan 0.000 0.405 310 N N 1.142 119.892 118.700 0.084 0.000 2.166 310 N HA -0.164 4.814 4.740 0.397 0.000 0.186 310 N C 1.996 177.602 175.510 0.160 0.000 1.019 310 N CA 1.480 54.629 53.050 0.165 0.000 0.856 310 N CB -0.207 38.383 38.487 0.171 0.000 0.993 310 N HN 0.368 nan 8.380 nan 0.000 0.426 311 A N 1.825 124.685 122.820 0.066 0.000 1.883 311 A HA -0.146 4.412 4.320 0.397 0.000 0.217 311 A C 2.235 179.808 177.584 -0.018 0.000 1.186 311 A CA 1.088 53.125 52.037 -0.001 0.000 0.624 311 A CB -0.777 18.221 19.000 -0.004 0.000 0.822 311 A HN 0.184 nan 8.150 nan 0.000 0.444 312 L N 0.039 121.267 121.223 0.009 0.000 2.042 312 L HA -0.219 4.359 4.340 0.397 0.000 0.210 312 L C 2.564 179.443 176.870 0.013 0.000 1.076 312 L CA 2.282 57.124 54.840 0.004 0.000 0.749 312 L CB -0.835 41.231 42.059 0.011 0.000 0.893 312 L HN 0.532 nan 8.230 nan 0.000 0.432 313 Q N -1.023 118.815 119.800 0.064 0.000 2.096 313 Q HA -0.221 4.357 4.340 0.397 0.000 0.204 313 Q C 2.214 178.263 176.000 0.081 0.000 0.982 313 Q CA 1.757 57.636 55.803 0.127 0.000 0.850 313 Q CB -0.392 28.506 28.738 0.266 0.000 0.901 313 Q HN 0.676 nan 8.270 nan 0.000 0.422 314 A N 0.720 123.460 122.820 -0.133 0.000 1.897 314 A HA -0.142 4.416 4.320 0.397 0.000 0.215 314 A C 2.072 179.581 177.584 -0.126 0.000 1.181 314 A CA 1.149 52.934 52.037 -0.420 0.000 0.620 314 A CB -0.418 18.072 19.000 -0.851 0.000 0.821 314 A HN 0.261 nan 8.150 nan 0.000 0.443 315 M N -1.074 118.466 119.600 -0.100 0.000 2.086 315 M HA -0.152 4.566 4.480 0.397 0.000 0.261 315 M C 2.070 178.308 176.300 -0.104 0.000 1.067 315 M CA 1.337 56.587 55.300 -0.084 0.000 1.116 315 M CB -0.519 32.048 32.600 -0.054 0.000 1.348 315 M HN 0.265 nan 8.290 nan 0.000 0.407 316 M N -0.084 119.475 119.600 -0.069 0.000 2.435 316 M HA -0.155 4.563 4.480 0.397 0.000 0.262 316 M C 1.036 177.271 176.300 -0.108 0.000 1.065 316 M CA 1.537 56.798 55.300 -0.064 0.000 1.076 316 M CB -1.213 31.375 32.600 -0.019 0.000 1.403 316 M HN 0.283 nan 8.290 nan 0.000 0.454 317 E N -0.964 119.136 120.200 -0.168 0.000 2.476 317 E HA 0.283 4.871 4.350 0.397 0.000 0.196 317 E C 0.959 177.103 176.600 -0.760 0.000 1.029 317 E CA 0.295 56.518 56.400 -0.296 0.000 0.896 317 E CB 0.223 29.905 29.700 -0.030 0.000 1.012 317 E HN 0.591 nan 8.360 nan 0.000 0.475 318 G N 0.642 109.092 108.800 -0.583 0.000 2.141 318 G HA2 -0.233 3.965 3.960 0.397 0.000 0.231 318 G HA3 -0.233 3.965 3.960 0.397 0.000 0.231 318 G C -0.332 174.235 174.900 -0.555 0.000 0.984 318 G CA -0.413 44.354 45.100 -0.555 0.000 0.660 318 G HN 0.135 nan 8.290 nan 0.000 0.525 319 F N 1.712 121.609 119.950 -0.088 0.000 2.444 319 F HA 0.504 5.269 4.527 0.396 0.000 0.342 319 F C 0.346 176.081 175.800 -0.108 0.000 1.121 319 F CA -1.993 55.944 58.000 -0.105 0.000 0.997 319 F CB 1.093 39.992 39.000 -0.167 0.000 1.130 319 F HN -0.125 nan 8.300 nan 0.000 0.454 320 D N 1.953 122.413 120.400 0.100 0.000 2.506 320 D HA 0.117 4.995 4.640 0.397 0.000 0.234 320 D C -0.236 176.072 176.300 0.014 0.000 1.143 320 D CA 0.376 54.395 54.000 0.032 0.000 0.871 320 D CB 1.151 41.964 40.800 0.022 0.000 1.190 320 D HN 0.118 nan 8.370 nan 0.000 0.459 321 V N 2.963 122.869 119.914 -0.014 0.000 2.370 321 V HA 0.430 4.788 4.120 0.397 0.000 0.279 321 V C 0.382 176.462 176.094 -0.025 0.000 1.029 321 V CA -0.515 61.767 62.300 -0.031 0.000 0.870 321 V CB 1.419 33.217 31.823 -0.041 0.000 0.984 321 V HN 0.431 nan 8.190 nan 0.000 0.451 322 V N 1.944 121.840 119.914 -0.030 0.000 3.114 322 V HA 0.846 5.204 4.120 0.397 0.000 0.308 322 V C -0.112 175.960 176.094 -0.036 0.000 1.168 322 V CA -0.524 61.759 62.300 -0.029 0.000 1.015 322 V CB 2.108 33.915 31.823 -0.027 0.000 1.050 322 V HN 0.828 nan 8.190 nan 0.000 0.433 323 T N -0.520 114.012 114.554 -0.036 0.000 2.899 323 T HA 0.488 5.076 4.350 0.397 0.000 0.284 323 T C 1.115 175.768 174.700 -0.078 0.000 1.004 323 T CA 0.196 62.267 62.100 -0.048 0.000 1.043 323 T CB 1.461 70.310 68.868 -0.031 0.000 1.013 323 T HN 0.864 nan 8.240 nan 0.000 0.518 324 V N 1.760 121.598 119.914 -0.128 0.000 2.282 324 V HA -0.181 4.177 4.120 0.397 0.000 0.249 324 V C 2.767 178.751 176.094 -0.184 0.000 1.057 324 V CA 2.291 64.452 62.300 -0.232 0.000 1.032 324 V CB -1.113 30.426 31.823 -0.474 0.000 0.645 324 V HN 0.917 nan 8.190 nan 0.000 0.447 325 E N 0.262 120.399 120.200 -0.106 0.000 2.118 325 E HA -0.252 4.336 4.350 0.397 0.000 0.195 325 E C 2.197 178.791 176.600 -0.010 0.000 0.992 325 E CA 1.646 58.045 56.400 -0.003 0.000 0.804 325 E CB -0.288 29.438 29.700 0.044 0.000 0.741 325 E HN 0.898 nan 8.360 nan 0.000 0.458 326 E N -0.425 119.761 120.200 -0.024 0.000 2.230 326 E HA 0.045 4.633 4.350 0.397 0.000 0.192 326 E C 1.650 178.237 176.600 -0.021 0.000 0.987 326 E CA 0.884 57.273 56.400 -0.017 0.000 0.841 326 E CB 0.109 29.800 29.700 -0.016 0.000 0.783 326 E HN 0.189 nan 8.360 nan 0.000 0.481 327 A N 0.701 123.500 122.820 -0.035 0.000 2.108 327 A HA 0.182 4.740 4.320 0.397 0.000 0.206 327 A C 1.965 179.530 177.584 -0.032 0.000 1.212 327 A CA -0.001 52.016 52.037 -0.032 0.000 0.843 327 A CB -0.180 18.797 19.000 -0.039 0.000 0.902 327 A HN 0.259 nan 8.150 nan 0.000 0.477 328 I N 0.919 121.461 120.570 -0.046 0.000 2.248 328 I HA -0.195 4.213 4.170 0.397 0.000 0.248 328 I C 2.206 178.314 176.117 -0.014 0.000 1.107 328 I CA 1.781 63.057 61.300 -0.041 0.000 1.373 328 I CB -0.358 37.609 38.000 -0.055 0.000 1.055 328 I HN 0.236 nan 8.210 nan 0.000 0.418 329 G N -1.057 107.738 108.800 -0.008 0.000 2.470 329 G HA2 -0.264 3.934 3.960 0.397 0.000 0.220 329 G HA3 -0.264 3.934 3.960 0.397 0.000 0.220 329 G C 1.302 176.203 174.900 0.002 0.000 1.121 329 G CA 1.100 46.198 45.100 -0.003 0.000 0.766 329 G HN 0.438 nan 8.290 nan 0.000 0.553 330 D N -0.562 119.838 120.400 -0.000 0.000 2.433 330 D HA 0.359 5.237 4.640 0.397 0.000 0.211 330 D C 1.168 177.472 176.300 0.006 0.000 1.114 330 D CA -0.112 53.891 54.000 0.005 0.000 0.837 330 D CB 0.306 41.108 40.800 0.003 0.000 0.984 330 D HN 0.222 nan 8.370 nan 0.000 0.505 331 A N 0.634 123.455 122.820 0.002 0.000 2.450 331 A HA 0.177 4.735 4.320 0.397 0.000 0.255 331 A C 0.938 178.530 177.584 0.014 0.000 1.096 331 A CA -0.100 51.938 52.037 0.002 0.000 0.778 331 A CB 0.416 19.410 19.000 -0.010 0.000 1.031 331 A HN 0.057 nan 8.150 nan 0.000 0.494 332 D N 1.303 121.714 120.400 0.018 0.000 2.213 332 D HA 0.099 4.977 4.640 0.397 0.000 0.205 332 D C 0.257 176.574 176.300 0.028 0.000 0.961 332 D CA 1.428 55.445 54.000 0.029 0.000 0.853 332 D CB 0.218 41.035 40.800 0.028 0.000 0.967 332 D HN 0.584 nan 8.370 nan 0.000 0.496 333 I N 0.728 121.308 120.570 0.016 0.000 2.619 333 I HA 0.243 4.651 4.170 0.397 0.000 0.292 333 I C -0.997 175.120 176.117 -0.000 0.000 1.100 333 I CA -0.826 60.481 61.300 0.013 0.000 1.043 333 I CB 3.158 41.164 38.000 0.010 0.000 1.239 333 I HN -0.409 nan 8.210 nan 0.000 0.420 334 V N 6.333 126.247 119.914 0.000 0.000 2.483 334 V HA 0.508 4.866 4.120 0.397 0.000 0.297 334 V C -0.466 175.624 176.094 -0.007 0.000 1.027 334 V CA -0.645 61.648 62.300 -0.011 0.000 0.855 334 V CB 2.235 34.050 31.823 -0.014 0.000 0.995 334 V HN 0.425 nan 8.190 nan 0.000 0.424 335 V N 3.546 123.452 119.914 -0.014 0.000 2.531 335 V HA 0.604 4.962 4.120 0.397 0.000 0.301 335 V C 0.162 176.250 176.094 -0.010 0.000 1.034 335 V CA -0.541 61.755 62.300 -0.008 0.000 0.865 335 V CB 2.396 34.214 31.823 -0.009 0.000 0.995 335 V HN 0.984 nan 8.190 nan 0.000 0.424 336 T N 1.091 115.645 114.554 -0.000 0.000 2.829 336 T HA 0.777 5.364 4.350 0.397 0.000 0.282 336 T C 0.130 174.836 174.700 0.009 0.000 0.990 336 T CA -0.101 62.000 62.100 0.003 0.000 1.028 336 T CB 1.874 70.748 68.868 0.011 0.000 0.951 336 T HN 1.116 nan 8.240 nan 0.000 0.460 337 A N 1.962 124.787 122.820 0.009 0.000 2.709 337 A HA 0.452 5.009 4.320 0.397 0.000 0.241 337 A C 1.266 178.857 177.584 0.012 0.000 0.879 337 A CA 0.064 52.106 52.037 0.009 0.000 1.120 337 A CB -0.272 18.726 19.000 -0.003 0.000 1.226 337 A HN 0.986 nan 8.150 nan 0.000 0.468 338 T N -4.739 109.828 114.554 0.021 0.000 3.015 338 T HA 0.388 4.976 4.350 0.397 0.000 0.250 338 T C 1.638 176.357 174.700 0.031 0.000 1.057 338 T CA 1.121 63.236 62.100 0.024 0.000 1.066 338 T CB 0.052 68.935 68.868 0.024 0.000 0.959 338 T HN 1.828 nan 8.240 nan 0.000 0.488 339 G N 1.700 110.525 108.800 0.043 0.000 2.166 339 G HA2 -0.272 3.926 3.960 0.397 0.000 0.260 339 G HA3 -0.272 3.926 3.960 0.397 0.000 0.260 339 G C 0.030 174.974 174.900 0.074 0.000 0.986 339 G CA 0.396 45.533 45.100 0.061 0.000 0.683 339 G HN 0.801 nan 8.290 nan 0.000 0.527 340 N N 0.226 118.962 118.700 0.060 0.000 2.525 340 N HA 0.617 5.595 4.740 0.397 0.000 0.288 340 N C 0.190 175.731 175.510 0.052 0.000 1.242 340 N CA -0.383 52.696 53.050 0.049 0.000 0.905 340 N CB 1.060 39.566 38.487 0.030 0.000 1.258 340 N HN 0.533 nan 8.380 nan 0.000 0.551 341 K N -0.298 120.121 120.400 0.032 0.000 2.139 341 K HA 0.395 4.953 4.320 0.397 0.000 0.243 341 K C -1.029 175.581 176.600 0.017 0.000 0.983 341 K CA -0.365 55.936 56.287 0.022 0.000 0.890 341 K CB 0.752 33.250 32.500 -0.004 0.000 1.090 341 K HN 0.414 nan 8.250 nan 0.000 0.445 342 D N 0.851 121.260 120.400 0.016 0.000 2.716 342 D HA -0.143 4.735 4.640 0.397 0.000 0.239 342 D C 0.678 177.006 176.300 0.047 0.000 1.125 342 D CA 0.499 54.512 54.000 0.022 0.000 0.681 342 D CB -0.729 40.075 40.800 0.008 0.000 1.070 342 D HN 0.505 nan 8.370 nan 0.000 0.432 343 I N -0.554 120.044 120.570 0.046 0.000 2.385 343 I HA -0.034 4.374 4.170 0.397 0.000 0.244 343 I C 1.337 177.492 176.117 0.064 0.000 1.089 343 I CA 0.790 62.112 61.300 0.038 0.000 1.410 343 I CB -0.050 37.958 38.000 0.013 0.000 1.117 343 I HN 0.093 nan 8.210 nan 0.000 0.429 344 I N 2.960 123.581 120.570 0.085 0.000 2.371 344 I HA 0.272 4.680 4.170 0.397 0.000 0.282 344 I C 0.105 176.332 176.117 0.183 0.000 1.031 344 I CA -0.356 61.039 61.300 0.159 0.000 1.180 344 I CB 1.018 39.050 38.000 0.052 0.000 1.336 344 I HN 0.001 nan 8.210 nan 0.000 0.467 345 M N 4.459 124.231 119.600 0.288 0.000 2.371 345 M HA 0.218 4.936 4.480 0.397 0.000 0.301 345 M C 1.301 177.556 176.300 -0.075 0.000 1.173 345 M CA -0.739 54.553 55.300 -0.013 0.000 1.020 345 M CB 0.885 33.381 32.600 -0.174 0.000 1.490 345 M HN 0.428 nan 8.290 nan 0.000 0.485 346 L N 1.517 122.683 121.223 -0.094 0.000 2.043 346 L HA -0.199 4.379 4.340 0.397 0.000 0.212 346 L C 2.098 178.882 176.870 -0.144 0.000 1.075 346 L CA 2.110 56.901 54.840 -0.081 0.000 0.752 346 L CB -0.758 41.271 42.059 -0.050 0.000 0.891 346 L HN 0.853 nan 8.230 nan 0.000 0.432 347 E N -1.459 118.610 120.200 -0.219 0.000 2.118 347 E HA -0.288 4.300 4.350 0.397 0.000 0.195 347 E C 1.992 178.462 176.600 -0.218 0.000 0.992 347 E CA 1.724 57.972 56.400 -0.252 0.000 0.804 347 E CB -0.168 29.351 29.700 -0.302 0.000 0.741 347 E HN 0.778 nan 8.360 nan 0.000 0.458 348 H N -0.342 118.679 119.070 -0.082 0.000 2.333 348 H HA -0.041 4.753 4.556 0.396 0.000 0.302 348 H C 2.224 177.494 175.328 -0.096 0.000 1.075 348 H CA 1.291 57.294 56.048 -0.076 0.000 1.348 348 H CB 0.046 29.778 29.762 -0.051 0.000 1.393 348 H HN 0.160 nan 8.280 nan 0.000 0.509 349 I N 1.136 121.715 120.570 0.016 0.000 2.208 349 I HA -0.273 4.135 4.170 0.397 0.000 0.245 349 I C 2.048 178.045 176.117 -0.201 0.000 1.097 349 I CA 1.423 62.703 61.300 -0.032 0.000 1.363 349 I CB -0.199 37.812 38.000 0.018 0.000 1.051 349 I HN 0.200 nan 8.210 nan 0.000 0.413 350 K N 0.790 120.950 120.400 -0.399 0.000 2.209 350 K HA -0.088 4.470 4.320 0.397 0.000 0.204 350 K C 2.081 178.486 176.600 -0.326 0.000 1.048 350 K CA 1.321 57.218 56.287 -0.650 0.000 0.940 350 K CB -0.197 31.954 32.500 -0.582 0.000 0.729 350 K HN 0.338 nan 8.250 nan 0.000 0.451 351 A N 0.848 123.567 122.820 -0.169 0.000 2.167 351 A HA 0.034 4.592 4.320 0.397 0.000 0.214 351 A C 0.994 178.550 177.584 -0.047 0.000 1.151 351 A CA 0.323 52.312 52.037 -0.080 0.000 0.735 351 A CB -0.235 18.753 19.000 -0.021 0.000 0.802 351 A HN 0.156 nan 8.150 nan 0.000 0.467 352 M N 0.841 120.413 119.600 -0.046 0.000 2.240 352 M HA 0.187 4.905 4.480 0.397 0.000 0.333 352 M C 0.453 176.761 176.300 0.013 0.000 1.110 352 M CA -0.178 55.120 55.300 -0.004 0.000 1.173 352 M CB 0.810 33.419 32.600 0.016 0.000 1.458 352 M HN 0.352 nan 8.290 nan 0.000 0.458 353 K N 0.460 120.878 120.400 0.030 0.000 2.168 353 K HA 0.191 4.749 4.320 0.397 0.000 0.258 353 K C -0.567 176.082 176.600 0.082 0.000 1.010 353 K CA -0.857 55.459 56.287 0.048 0.000 0.929 353 K CB 0.366 32.893 32.500 0.044 0.000 0.998 353 K HN 0.396 nan 8.250 nan 0.000 0.479 354 D N 0.907 121.370 120.400 0.106 0.000 2.488 354 D HA -0.088 4.790 4.640 0.397 0.000 0.238 354 D C -0.009 176.435 176.300 0.241 0.000 1.138 354 D CA 0.807 54.911 54.000 0.174 0.000 0.873 354 D CB 0.039 40.949 40.800 0.183 0.000 1.183 354 D HN 0.781 nan 8.370 nan 0.000 0.458 355 H N -0.032 119.079 119.070 0.069 0.000 3.010 355 H HA -0.227 4.567 4.556 0.397 0.000 0.272 355 H C 0.167 175.528 175.328 0.054 0.000 1.151 355 H CA 0.536 56.621 56.048 0.060 0.000 1.159 355 H CB -1.530 28.259 29.762 0.045 0.000 1.295 355 H HN 0.485 nan 8.280 nan 0.000 0.344 356 A N 0.871 123.756 122.820 0.108 0.000 2.406 356 A HA 0.495 5.053 4.320 0.397 0.000 0.243 356 A C 0.733 178.352 177.584 0.058 0.000 1.082 356 A CA 0.061 52.143 52.037 0.074 0.000 0.786 356 A CB 0.503 19.538 19.000 0.057 0.000 1.029 356 A HN 0.308 nan 8.150 nan 0.000 0.495 357 I N 0.656 121.255 120.570 0.049 0.000 2.441 357 I HA 0.387 4.795 4.170 0.397 0.000 0.295 357 I C -0.807 175.332 176.117 0.037 0.000 0.994 357 I CA -0.594 60.733 61.300 0.045 0.000 1.144 357 I CB 1.748 39.773 38.000 0.041 0.000 1.314 357 I HN 0.508 nan 8.210 nan 0.000 0.445 358 L N 5.753 127.000 121.223 0.041 0.000 2.356 358 L HA 0.911 5.489 4.340 0.397 0.000 0.277 358 L C -0.331 176.560 176.870 0.033 0.000 0.996 358 L CA 0.128 54.987 54.840 0.032 0.000 0.822 358 L CB 1.477 43.554 42.059 0.031 0.000 1.256 358 L HN 0.660 nan 8.230 nan 0.000 0.413 359 G N 2.733 111.548 108.800 0.025 0.000 2.690 359 G HA2 0.443 4.641 3.960 0.397 0.000 0.291 359 G HA3 0.443 4.641 3.960 0.397 0.000 0.291 359 G C -1.978 172.936 174.900 0.024 0.000 1.403 359 G CA -0.751 44.366 45.100 0.029 0.000 0.864 359 G HN 0.681 nan 8.290 nan 0.000 0.480 360 N N -0.506 118.211 118.700 0.029 0.000 2.284 360 N HA 0.494 5.472 4.740 0.397 0.000 0.300 360 N C -0.183 175.340 175.510 0.022 0.000 1.047 360 N CA -0.817 52.249 53.050 0.026 0.000 0.821 360 N CB 2.001 40.509 38.487 0.035 0.000 1.337 360 N HN 0.353 nan 8.380 nan 0.000 0.482 361 I N 1.338 121.918 120.570 0.018 0.000 4.240 361 I HA 0.466 4.874 4.170 0.397 0.000 0.331 361 I C 0.788 176.912 176.117 0.013 0.000 1.381 361 I CA -0.374 60.934 61.300 0.014 0.000 1.136 361 I CB -0.059 37.955 38.000 0.024 0.000 1.137 361 I HN 0.643 nan 8.210 nan 0.000 0.411 362 G N -0.697 108.114 108.800 0.018 0.000 2.651 362 G HA2 -0.079 4.119 3.960 0.397 0.000 0.260 362 G HA3 -0.079 4.119 3.960 0.397 0.000 0.260 362 G C 0.446 175.348 174.900 0.002 0.000 1.216 362 G CA 0.080 45.196 45.100 0.026 0.000 0.913 362 G HN 0.421 nan 8.290 nan 0.000 0.535 363 H N -0.571 118.428 119.070 -0.119 0.000 2.353 363 H HA 0.061 4.857 4.556 0.399 0.000 0.300 363 H C 0.085 175.221 175.328 -0.319 0.000 1.090 363 H CA 1.135 57.017 56.048 -0.278 0.000 1.327 363 H CB -0.043 29.423 29.762 -0.493 0.000 1.383 363 H HN 0.220 nan 8.280 nan 0.000 0.508 364 F N 0.483 120.421 119.950 -0.019 0.000 2.507 364 F HA 0.168 4.932 4.527 0.396 0.000 0.327 364 F C 1.326 177.100 175.800 -0.044 0.000 1.068 364 F CA -1.039 56.919 58.000 -0.071 0.000 0.965 364 F CB 1.261 40.268 39.000 0.012 0.000 1.192 364 F HN 0.203 nan 8.300 nan 0.000 0.476 365 D N 0.097 120.605 120.400 0.179 0.000 2.310 365 D HA -0.180 4.698 4.640 0.397 0.000 0.212 365 D C 0.931 177.273 176.300 0.071 0.000 0.965 365 D CA 0.991 55.045 54.000 0.090 0.000 0.879 365 D CB -0.464 40.373 40.800 0.061 0.000 0.921 365 D HN 0.571 nan 8.370 nan 0.000 0.510 366 N N 1.478 120.224 118.700 0.076 0.000 2.573 366 N HA -0.176 4.802 4.740 0.397 0.000 0.187 366 N C 1.180 176.713 175.510 0.039 0.000 1.107 366 N CA 0.466 53.535 53.050 0.032 0.000 0.918 366 N CB -0.536 37.944 38.487 -0.012 0.000 0.966 366 N HN 0.353 nan 8.380 nan 0.000 0.448 367 E N 0.032 120.269 120.200 0.061 0.000 2.160 367 E HA -0.056 4.532 4.350 0.397 0.000 0.195 367 E C 0.239 176.858 176.600 0.033 0.000 0.991 367 E CA 0.725 57.153 56.400 0.047 0.000 0.810 367 E CB 0.081 29.811 29.700 0.049 0.000 0.742 367 E HN 0.513 nan 8.360 nan 0.000 0.466 368 I N 1.404 121.990 120.570 0.028 0.000 2.441 368 I HA 0.072 4.480 4.170 0.397 0.000 0.295 368 I C -0.023 176.092 176.117 -0.002 0.000 0.994 368 I CA -0.727 60.581 61.300 0.014 0.000 1.144 368 I CB 1.649 39.653 38.000 0.008 0.000 1.314 368 I HN -0.242 nan 8.210 nan 0.000 0.445 369 D N 6.561 126.953 120.400 -0.013 0.000 2.671 369 D HA 0.069 4.947 4.640 0.397 0.000 0.228 369 D C 1.185 177.444 176.300 -0.069 0.000 1.102 369 D CA 0.030 54.010 54.000 -0.033 0.000 1.044 369 D CB 0.486 41.267 40.800 -0.032 0.000 1.113 369 D HN 0.325 nan 8.370 nan 0.000 0.480 370 M N 0.734 120.296 119.600 -0.063 0.000 2.149 370 M HA -0.126 4.592 4.480 0.397 0.000 0.261 370 M C 2.046 178.292 176.300 -0.090 0.000 1.064 370 M CA 0.892 56.136 55.300 -0.094 0.000 1.102 370 M CB -1.207 31.380 32.600 -0.023 0.000 1.369 370 M HN 0.376 nan 8.290 nan 0.000 0.408 371 A N 0.374 123.169 122.820 -0.042 0.000 1.877 371 A HA -0.029 4.529 4.320 0.397 0.000 0.216 371 A C 2.469 180.030 177.584 -0.037 0.000 1.186 371 A CA 2.083 54.107 52.037 -0.022 0.000 0.620 371 A CB -1.522 17.474 19.000 -0.007 0.000 0.822 371 A HN 0.497 nan 8.150 nan 0.000 0.443 372 G N -0.176 108.595 108.800 -0.049 0.000 2.446 372 G HA2 -0.213 3.985 3.960 0.397 0.000 0.217 372 G HA3 -0.213 3.985 3.960 0.397 0.000 0.217 372 G C 1.509 176.365 174.900 -0.073 0.000 1.168 372 G CA 1.325 46.397 45.100 -0.047 0.000 0.771 372 G HN 0.519 nan 8.290 nan 0.000 0.551 373 L N 0.636 121.763 121.223 -0.159 0.000 2.046 373 L HA 0.024 4.602 4.340 0.397 0.000 0.208 373 L C 2.588 179.240 176.870 -0.364 0.000 1.077 373 L CA 2.122 56.767 54.840 -0.325 0.000 0.747 373 L CB -0.550 41.138 42.059 -0.619 0.000 0.896 373 L HN 0.370 nan 8.230 nan 0.000 0.432 374 E N -0.867 119.200 120.200 -0.221 0.000 2.204 374 E HA -0.127 4.461 4.350 0.397 0.000 0.194 374 E C 1.805 178.453 176.600 0.081 0.000 0.989 374 E CA 0.713 57.127 56.400 0.024 0.000 0.824 374 E CB 0.016 29.780 29.700 0.108 0.000 0.756 374 E HN 0.473 nan 8.360 nan 0.000 0.477 375 R N 0.056 120.572 120.500 0.026 0.000 2.362 375 R HA 0.081 4.659 4.340 0.397 0.000 0.227 375 R C 1.972 178.299 176.300 0.045 0.000 0.905 375 R CA 0.485 56.610 56.100 0.042 0.000 1.067 375 R CB 0.426 30.743 30.300 0.027 0.000 1.078 375 R HN 0.072 nan 8.270 nan 0.000 0.516 376 S N -0.801 114.926 115.700 0.045 0.000 2.496 376 S HA 0.065 4.773 4.470 0.397 0.000 0.224 376 S C 1.568 176.225 174.600 0.095 0.000 0.996 376 S CA 0.700 58.948 58.200 0.080 0.000 0.927 376 S CB 0.438 63.717 63.200 0.130 0.000 0.774 376 S HN 0.426 nan 8.310 nan 0.000 0.524 377 G N 0.936 109.779 108.800 0.072 0.000 2.195 377 G HA2 -0.121 4.077 3.960 0.397 0.000 0.246 377 G HA3 -0.121 4.077 3.960 0.397 0.000 0.246 377 G C 0.329 175.236 174.900 0.012 0.000 0.984 377 G CA -0.003 45.133 45.100 0.059 0.000 0.633 377 G HN 1.356 nan 8.290 nan 0.000 0.525 378 A N 0.721 123.484 122.820 -0.095 0.000 2.531 378 A HA 0.571 5.129 4.320 0.397 0.000 0.236 378 A C 0.968 178.580 177.584 0.047 0.000 1.062 378 A CA 1.528 53.401 52.037 -0.273 0.000 0.760 378 A CB 0.075 18.579 19.000 -0.828 0.000 0.995 378 A HN 1.768 nan 8.150 nan 0.000 0.501 379 T N 0.645 115.169 114.554 -0.050 0.000 2.859 379 T HA 0.609 5.197 4.350 0.397 0.000 0.281 379 T C -0.155 174.332 174.700 -0.355 0.000 1.005 379 T CA -0.798 61.223 62.100 -0.133 0.000 1.025 379 T CB 1.252 70.052 68.868 -0.113 0.000 0.977 379 T HN 0.706 nan 8.240 nan 0.000 0.458 380 R N 1.948 122.054 120.500 -0.656 0.000 2.294 380 R HA 0.603 5.181 4.340 0.397 0.000 0.319 380 R C -1.492 174.472 176.300 -0.559 0.000 0.984 380 R CA -0.632 54.827 56.100 -1.068 0.000 0.861 380 R CB 1.110 30.504 30.300 -1.510 0.000 1.104 380 R HN 0.602 nan 8.270 nan 0.000 0.451 381 V N 5.105 124.745 119.914 -0.455 0.000 2.448 381 V HA 0.203 4.561 4.120 0.397 0.000 0.295 381 V C 0.117 176.061 176.094 -0.250 0.000 1.025 381 V CA -0.965 61.172 62.300 -0.271 0.000 0.859 381 V CB 1.546 33.268 31.823 -0.169 0.000 0.988 381 V HN 0.762 nan 8.190 nan 0.000 0.431 382 N N 3.432 122.019 118.700 -0.189 0.000 2.488 382 N HA 0.185 5.163 4.740 0.397 0.000 0.274 382 N C 0.482 175.936 175.510 -0.094 0.000 1.111 382 N CA -0.192 52.776 53.050 -0.137 0.000 0.974 382 N CB 2.015 40.439 38.487 -0.105 0.000 1.089 382 N HN 0.392 nan 8.380 nan 0.000 0.465 383 V N 3.942 123.811 119.914 -0.074 0.000 2.492 383 V HA 0.029 4.387 4.120 0.397 0.000 0.241 383 V C 0.616 176.687 176.094 -0.038 0.000 1.041 383 V CA 1.206 63.478 62.300 -0.047 0.000 1.057 383 V CB -0.308 31.497 31.823 -0.031 0.000 0.711 383 V HN 0.813 nan 8.190 nan 0.000 0.468 384 K N -1.022 119.353 120.400 -0.042 0.000 2.580 384 K HA 0.429 4.987 4.320 0.397 0.000 0.288 384 K C -3.314 173.252 176.600 -0.056 0.000 1.041 384 K CA -1.881 54.383 56.287 -0.038 0.000 0.855 384 K CB 0.624 33.108 32.500 -0.026 0.000 1.543 384 K HN -0.216 nan 8.250 nan 0.000 0.388 385 P HA 0.079 nan 4.420 nan 0.000 0.268 385 P C -0.993 176.216 177.300 -0.152 0.000 1.204 385 P CA 0.532 63.570 63.100 -0.102 0.000 0.768 385 P CB 0.505 32.161 31.700 -0.072 0.000 0.842 386 Q N -0.791 118.859 119.800 -0.249 0.000 2.489 386 Q HA -0.131 4.447 4.340 0.397 0.000 0.259 386 Q C -0.816 175.112 176.000 -0.120 0.000 0.934 386 Q CA 0.980 56.617 55.803 -0.276 0.000 1.131 386 Q CB -2.231 26.319 28.738 -0.313 0.000 1.472 386 Q HN 0.258 nan 8.270 nan 0.000 0.560 387 V N 0.651 120.516 119.914 -0.081 0.000 2.532 387 V HA 0.468 4.826 4.120 0.397 0.000 0.294 387 V C -0.505 175.569 176.094 -0.034 0.000 1.036 387 V CA -0.809 61.471 62.300 -0.033 0.000 0.876 387 V CB 2.081 33.888 31.823 -0.026 0.000 1.012 387 V HN 0.089 nan 8.190 nan 0.000 0.432 388 D N 3.728 124.129 120.400 0.001 0.000 2.646 388 D HA 0.502 5.380 4.640 0.397 0.000 0.245 388 D C -0.979 175.302 176.300 -0.032 0.000 1.099 388 D CA -0.493 53.469 54.000 -0.062 0.000 0.849 388 D CB 3.361 44.125 40.800 -0.060 0.000 1.448 388 D HN 0.358 nan 8.370 nan 0.000 0.489 389 L N 2.491 123.627 121.223 -0.145 0.000 2.282 389 L HA 0.434 5.012 4.340 0.397 0.000 0.288 389 L C -1.505 175.251 176.870 -0.190 0.000 1.033 389 L CA -0.354 54.426 54.840 -0.100 0.000 0.807 389 L CB 0.718 42.711 42.059 -0.111 0.000 1.209 389 L HN 0.312 nan 8.230 nan 0.000 0.423 390 W N 3.951 125.186 121.300 -0.107 0.000 2.529 390 W HA 0.634 5.531 4.660 0.396 0.000 0.321 390 W C -0.344 176.063 176.519 -0.187 0.000 1.047 390 W CA -0.437 56.814 57.345 -0.157 0.000 1.216 390 W CB 2.186 31.553 29.460 -0.155 0.000 1.357 390 W HN 0.377 nan 8.180 nan 0.000 0.489 391 T N 3.960 118.500 114.554 -0.023 0.000 2.812 391 T HA 0.410 4.998 4.350 0.397 0.000 0.282 391 T C -0.984 173.619 174.700 -0.161 0.000 0.990 391 T CA -0.642 61.437 62.100 -0.037 0.000 0.960 391 T CB 0.432 69.295 68.868 -0.007 0.000 0.948 391 T HN -0.025 nan 8.240 nan 0.000 0.438 392 F N 2.073 122.080 119.950 0.094 0.000 2.413 392 F HA 0.399 5.164 4.527 0.396 0.000 0.359 392 F C 1.628 177.462 175.800 0.056 0.000 1.122 392 F CA -0.593 57.451 58.000 0.073 0.000 1.160 392 F CB 0.815 39.848 39.000 0.055 0.000 1.146 392 F HN 0.795 nan 8.300 nan 0.000 0.514 393 G N 2.132 111.026 108.800 0.157 0.000 2.422 393 G HA2 -0.301 3.897 3.960 0.397 0.000 0.218 393 G HA3 -0.301 3.897 3.960 0.397 0.000 0.218 393 G C 1.392 176.360 174.900 0.115 0.000 1.146 393 G CA 1.005 46.170 45.100 0.108 0.000 0.769 393 G HN 0.686 nan 8.290 nan 0.000 0.547 394 D N 1.037 121.520 120.400 0.139 0.000 2.104 394 D HA -0.160 4.718 4.640 0.397 0.000 0.194 394 D C 2.317 178.669 176.300 0.086 0.000 0.994 394 D CA 2.217 56.278 54.000 0.102 0.000 0.830 394 D CB -1.204 39.652 40.800 0.093 0.000 0.959 394 D HN 0.411 nan 8.370 nan 0.000 0.452 395 T N -4.890 109.731 114.554 0.111 0.000 3.057 395 T HA 0.367 4.955 4.350 0.397 0.000 0.254 395 T C 1.906 176.663 174.700 0.095 0.000 1.094 395 T CA 0.604 62.752 62.100 0.080 0.000 1.088 395 T CB -0.133 68.766 68.868 0.052 0.000 0.934 395 T HN 0.498 nan 8.240 nan 0.000 0.497 396 G N 2.020 110.893 108.800 0.123 0.000 2.189 396 G HA2 -0.281 3.917 3.960 0.397 0.000 0.267 396 G HA3 -0.281 3.917 3.960 0.397 0.000 0.267 396 G C 0.161 175.142 174.900 0.136 0.000 0.975 396 G CA 0.128 45.296 45.100 0.113 0.000 0.644 396 G HN 0.698 nan 8.290 nan 0.000 0.537 397 R N 0.257 120.857 120.500 0.168 0.000 2.428 397 R HA 0.637 5.215 4.340 0.397 0.000 0.294 397 R C -0.380 176.052 176.300 0.220 0.000 1.000 397 R CA -0.235 55.971 56.100 0.177 0.000 0.960 397 R CB 1.439 31.822 30.300 0.138 0.000 1.076 397 R HN 0.163 nan 8.270 nan 0.000 0.475 398 S N 2.176 117.962 115.700 0.144 0.000 2.532 398 S HA 0.564 5.272 4.470 0.397 0.000 0.301 398 S C -0.537 174.063 174.600 -0.001 0.000 1.083 398 S CA -0.730 57.494 58.200 0.041 0.000 1.025 398 S CB 1.293 64.396 63.200 -0.161 0.000 1.056 398 S HN 0.307 nan 8.310 nan 0.000 0.494 399 I N 2.263 122.875 120.570 0.069 0.000 2.608 399 I HA 0.464 4.872 4.170 0.397 0.000 0.295 399 I C -0.552 175.610 176.117 0.075 0.000 1.049 399 I CA -0.875 60.475 61.300 0.083 0.000 1.063 399 I CB 1.624 39.728 38.000 0.174 0.000 1.248 399 I HN 0.573 nan 8.210 nan 0.000 0.424 400 I N 5.516 126.111 120.570 0.042 0.000 2.315 400 I HA 0.298 4.706 4.170 0.397 0.000 0.291 400 I C -0.175 176.007 176.117 0.109 0.000 1.006 400 I CA -0.513 60.827 61.300 0.067 0.000 1.265 400 I CB 1.381 39.402 38.000 0.035 0.000 1.387 400 I HN 0.131 nan 8.210 nan 0.000 0.475 401 V N 7.648 127.668 119.914 0.177 0.000 2.435 401 V HA 0.403 4.761 4.120 0.397 0.000 0.290 401 V C 0.086 176.249 176.094 0.115 0.000 1.030 401 V CA -0.653 61.741 62.300 0.156 0.000 0.881 401 V CB 1.695 33.646 31.823 0.214 0.000 0.983 401 V HN 0.461 nan 8.190 nan 0.000 0.445 402 L N 3.534 124.801 121.223 0.074 0.000 2.289 402 L HA 0.422 5.000 4.340 0.397 0.000 0.285 402 L C 1.004 177.902 176.870 0.047 0.000 1.049 402 L CA -0.300 54.566 54.840 0.043 0.000 0.804 402 L CB 1.540 43.617 42.059 0.031 0.000 1.195 402 L HN 0.839 nan 8.230 nan 0.000 0.428 403 S N 1.499 117.196 115.700 -0.005 0.000 3.521 403 S HA -0.200 4.508 4.470 0.397 0.000 0.328 403 S C 0.606 175.305 174.600 0.166 0.000 1.165 403 S CA 1.180 59.371 58.200 -0.015 0.000 0.941 403 S CB -1.224 62.020 63.200 0.074 0.000 0.951 403 S HN 0.937 nan 8.310 nan 0.000 0.539 404 E N -1.689 118.602 120.200 0.153 0.000 2.403 404 E HA -0.286 4.302 4.350 0.397 0.000 0.241 404 E C 0.951 177.657 176.600 0.177 0.000 1.201 404 E CA 0.682 57.217 56.400 0.225 0.000 0.721 404 E CB -2.121 27.776 29.700 0.328 0.000 1.245 404 E HN 1.486 nan 8.360 nan 0.000 0.392 405 G N -0.313 108.562 108.800 0.126 0.000 2.184 405 G HA2 -0.381 3.817 3.960 0.397 0.000 0.264 405 G HA3 -0.381 3.817 3.960 0.397 0.000 0.264 405 G C 0.356 175.310 174.900 0.091 0.000 0.975 405 G CA 0.678 45.830 45.100 0.086 0.000 0.642 405 G HN 0.233 nan 8.290 nan 0.000 0.536 406 R N 0.200 120.782 120.500 0.136 0.000 2.560 406 R HA 0.590 5.168 4.340 0.397 0.000 0.270 406 R C 1.466 177.811 176.300 0.076 0.000 1.074 406 R CA -0.525 55.641 56.100 0.110 0.000 1.140 406 R CB 0.312 30.727 30.300 0.192 0.000 1.073 406 R HN 0.623 nan 8.270 nan 0.000 0.527 407 L N 2.843 124.072 121.223 0.011 0.000 2.660 407 L HA 0.028 4.606 4.340 0.397 0.000 0.272 407 L C 0.694 177.567 176.870 0.006 0.000 1.194 407 L CA -0.177 54.654 54.840 -0.015 0.000 0.945 407 L CB -0.060 41.953 42.059 -0.076 0.000 1.212 407 L HN 0.716 nan 8.230 nan 0.000 0.490 408 L N 2.370 123.603 121.223 0.018 0.000 2.217 408 L HA -0.052 4.526 4.340 0.397 0.000 0.211 408 L C 2.357 179.238 176.870 0.018 0.000 1.107 408 L CA 1.476 56.331 54.840 0.026 0.000 0.783 408 L CB -1.167 40.909 42.059 0.027 0.000 0.919 408 L HN 0.817 nan 8.230 nan 0.000 0.442 409 N N 1.476 120.183 118.700 0.011 0.000 2.104 409 N HA -0.237 4.741 4.740 0.397 0.000 0.190 409 N C 1.705 177.217 175.510 0.004 0.000 1.024 409 N CA 2.346 55.411 53.050 0.024 0.000 0.853 409 N CB -0.955 37.564 38.487 0.054 0.000 1.008 409 N HN 0.532 nan 8.380 nan 0.000 0.424 410 L N -0.441 120.751 121.223 -0.051 0.000 2.270 410 L HA 0.212 4.790 4.340 0.397 0.000 0.210 410 L C 2.575 179.457 176.870 0.019 0.000 1.104 410 L CA 0.876 55.680 54.840 -0.060 0.000 0.804 410 L CB -0.369 41.559 42.059 -0.218 0.000 0.937 410 L HN 0.337 nan 8.230 nan 0.000 0.450 411 G N -0.684 108.141 108.800 0.042 0.000 2.411 411 G HA2 -0.155 4.043 3.960 0.397 0.000 0.213 411 G HA3 -0.155 4.043 3.960 0.397 0.000 0.213 411 G C 1.358 176.266 174.900 0.014 0.000 1.166 411 G CA 0.222 45.372 45.100 0.083 0.000 0.802 411 G HN 0.264 nan 8.290 nan 0.000 0.533 412 N N 0.229 118.935 118.700 0.010 0.000 2.356 412 N HA 0.293 5.271 4.740 0.397 0.000 0.178 412 N C 0.957 176.480 175.510 0.022 0.000 1.075 412 N CA 0.675 53.725 53.050 0.000 0.000 0.889 412 N CB 1.013 39.501 38.487 0.000 0.000 0.999 412 N HN 0.389 nan 8.380 nan 0.000 0.464 413 A N 0.235 123.078 122.820 0.038 0.000 3.955 413 A HA 0.430 4.988 4.320 0.397 0.000 0.175 413 A C 0.602 178.229 177.584 0.071 0.000 0.682 413 A CA 0.160 52.231 52.037 0.058 0.000 0.834 413 A CB -0.070 18.969 19.000 0.065 0.000 1.657 413 A HN 0.101 nan 8.150 nan 0.000 0.820 414 T N -2.534 112.072 114.554 0.087 0.000 3.145 414 T HA 0.519 5.107 4.350 0.397 0.000 0.281 414 T C 1.054 175.793 174.700 0.064 0.000 1.003 414 T CA 1.230 63.383 62.100 0.089 0.000 0.901 414 T CB -0.452 68.485 68.868 0.115 0.000 1.112 414 T HN 2.545 nan 8.240 nan 0.000 0.535 415 G N 1.737 110.563 108.800 0.045 0.000 2.645 415 G HA2 -0.207 3.991 3.960 0.397 0.000 0.246 415 G HA3 -0.207 3.991 3.960 0.397 0.000 0.246 415 G C -0.478 174.494 174.900 0.121 0.000 1.322 415 G CA -0.434 44.663 45.100 -0.006 0.000 0.898 415 G HN 0.828 nan 8.290 nan 0.000 0.573 416 H N 1.805 120.875 119.070 0.000 0.000 2.771 416 H HA 0.315 5.109 4.556 0.396 0.000 0.364 416 H C -1.617 173.664 175.328 -0.078 0.000 1.133 416 H CA -0.498 55.534 56.048 -0.027 0.000 1.423 416 H CB 0.501 30.229 29.762 -0.057 0.000 1.425 416 H HN 0.448 nan 8.280 nan 0.000 0.606 417 P HA -0.015 nan 4.420 nan 0.000 0.272 417 P C 0.330 177.614 177.300 -0.028 0.000 1.223 417 P CA -0.147 62.875 63.100 -0.130 0.000 0.784 417 P CB 1.091 32.567 31.700 -0.374 0.000 0.923 418 S N 1.284 116.991 115.700 0.012 0.000 2.393 418 S HA -0.254 4.454 4.470 0.397 0.000 0.234 418 S C 1.524 176.147 174.600 0.037 0.000 1.064 418 S CA 1.660 59.881 58.200 0.034 0.000 1.088 418 S CB -1.175 62.069 63.200 0.073 0.000 0.939 418 S HN 0.543 nan 8.310 nan 0.000 0.448 419 F N 1.654 121.584 119.950 -0.034 0.000 2.171 419 F HA -0.121 4.646 4.527 0.399 0.000 0.300 419 F C 2.233 177.992 175.800 -0.068 0.000 1.090 419 F CA 0.966 58.960 58.000 -0.009 0.000 1.293 419 F CB -0.319 38.680 39.000 -0.002 0.000 1.013 419 F HN -0.023 nan 8.300 nan 0.000 0.486 420 V N -0.178 119.759 119.914 0.037 0.000 2.307 420 V HA -0.316 4.042 4.120 0.397 0.000 0.245 420 V C 2.355 178.341 176.094 -0.181 0.000 1.045 420 V CA 1.619 63.887 62.300 -0.054 0.000 1.024 420 V CB -0.517 31.300 31.823 -0.010 0.000 0.651 420 V HN 0.255 nan 8.190 nan 0.000 0.449 421 M N -0.321 119.162 119.600 -0.195 0.000 2.296 421 M HA -0.087 4.631 4.480 0.397 0.000 0.265 421 M C 2.433 178.502 176.300 -0.386 0.000 1.064 421 M CA 1.385 56.435 55.300 -0.415 0.000 1.109 421 M CB -1.715 30.615 32.600 -0.449 0.000 1.396 421 M HN 0.424 nan 8.290 nan 0.000 0.430 422 S N 0.745 116.307 115.700 -0.230 0.000 2.387 422 S HA -0.178 4.530 4.470 0.397 0.000 0.230 422 S C 1.764 176.287 174.600 -0.128 0.000 1.035 422 S CA 1.698 59.827 58.200 -0.118 0.000 1.014 422 S CB -0.090 63.041 63.200 -0.115 0.000 0.836 422 S HN 0.473 nan 8.310 nan 0.000 0.466 423 N N 1.106 119.570 118.700 -0.395 0.000 2.039 423 N HA -0.004 4.974 4.740 0.397 0.000 0.193 423 N C 2.016 177.435 175.510 -0.153 0.000 1.044 423 N CA 1.775 54.593 53.050 -0.386 0.000 0.847 423 N CB -0.773 37.428 38.487 -0.476 0.000 1.030 423 N HN 0.334 nan 8.380 nan 0.000 0.422 424 S N 0.222 115.820 115.700 -0.169 0.000 2.359 424 S HA -0.081 4.627 4.470 0.397 0.000 0.224 424 S C 1.573 176.238 174.600 0.109 0.000 1.035 424 S CA 0.976 59.125 58.200 -0.085 0.000 1.018 424 S CB -0.382 62.670 63.200 -0.246 0.000 0.876 424 S HN 0.249 nan 8.310 nan 0.000 0.448 425 F N 1.502 121.448 119.950 -0.007 0.000 2.456 425 F HA 0.312 5.076 4.527 0.396 0.000 0.298 425 F C 2.444 178.241 175.800 -0.006 0.000 1.104 425 F CA -0.442 57.558 58.000 -0.001 0.000 1.435 425 F CB -1.377 37.618 39.000 -0.009 0.000 1.078 425 F HN 0.168 nan 8.300 nan 0.000 0.546 426 A N 0.589 123.505 122.820 0.161 0.000 1.898 426 A HA -0.217 4.341 4.320 0.397 0.000 0.216 426 A C 2.065 179.696 177.584 0.079 0.000 1.181 426 A CA 1.942 54.039 52.037 0.101 0.000 0.620 426 A CB -1.111 17.946 19.000 0.095 0.000 0.819 426 A HN 0.396 nan 8.150 nan 0.000 0.442 427 N N -0.794 117.949 118.700 0.073 0.000 2.069 427 N HA -0.216 4.762 4.740 0.397 0.000 0.191 427 N C 2.012 177.563 175.510 0.069 0.000 1.031 427 N CA 1.674 54.758 53.050 0.057 0.000 0.852 427 N CB -0.191 38.324 38.487 0.047 0.000 1.018 427 N HN 0.658 nan 8.380 nan 0.000 0.423 428 Q N -0.189 119.678 119.800 0.112 0.000 2.119 428 Q HA -0.068 4.510 4.340 0.397 0.000 0.201 428 Q C 1.619 177.638 176.000 0.032 0.000 0.972 428 Q CA 1.352 57.207 55.803 0.087 0.000 0.847 428 Q CB 0.119 28.937 28.738 0.133 0.000 0.903 428 Q HN 0.327 nan 8.270 nan 0.000 0.433 429 T N 0.480 115.050 114.554 0.028 0.000 2.746 429 T HA -0.110 4.478 4.350 0.397 0.000 0.267 429 T C 1.658 176.327 174.700 -0.052 0.000 1.039 429 T CA 1.191 63.276 62.100 -0.024 0.000 1.142 429 T CB -0.127 68.729 68.868 -0.019 0.000 0.866 429 T HN 0.244 nan 8.240 nan 0.000 0.444 430 I N 1.207 121.767 120.570 -0.016 0.000 2.252 430 I HA -0.129 4.279 4.170 0.397 0.000 0.245 430 I C 2.863 178.973 176.117 -0.013 0.000 1.102 430 I CA 0.997 62.287 61.300 -0.017 0.000 1.385 430 I CB -0.398 37.619 38.000 0.028 0.000 1.064 430 I HN 0.177 nan 8.210 nan 0.000 0.414 431 A N -0.026 122.794 122.820 0.000 0.000 1.933 431 A HA -0.218 4.340 4.320 0.397 0.000 0.218 431 A C 2.285 179.846 177.584 -0.038 0.000 1.175 431 A CA 1.306 53.339 52.037 -0.007 0.000 0.628 431 A CB -0.430 18.576 19.000 0.009 0.000 0.814 431 A HN 0.372 nan 8.150 nan 0.000 0.444 432 Q N -0.199 119.576 119.800 -0.042 0.000 2.050 432 Q HA -0.140 4.438 4.340 0.397 0.000 0.202 432 Q C 2.190 178.178 176.000 -0.021 0.000 0.980 432 Q CA 1.548 57.320 55.803 -0.052 0.000 0.840 432 Q CB -0.456 28.237 28.738 -0.075 0.000 0.898 432 Q HN 0.778 nan 8.270 nan 0.000 0.424 433 I N 1.140 121.677 120.570 -0.055 0.000 2.127 433 I HA -0.287 4.121 4.170 0.397 0.000 0.241 433 I C 2.305 178.438 176.117 0.026 0.000 1.075 433 I CA 1.190 62.459 61.300 -0.051 0.000 1.334 433 I CB -0.323 37.540 38.000 -0.228 0.000 1.040 433 I HN 0.175 nan 8.210 nan 0.000 0.405 434 E N 0.748 120.957 120.200 0.016 0.000 2.038 434 E HA -0.206 4.382 4.350 0.397 0.000 0.195 434 E C 2.354 178.963 176.600 0.016 0.000 1.000 434 E CA 1.307 57.745 56.400 0.064 0.000 0.803 434 E CB -0.432 29.331 29.700 0.104 0.000 0.750 434 E HN 0.504 nan 8.360 nan 0.000 0.448 435 L N -0.186 120.957 121.223 -0.134 0.000 2.093 435 L HA -0.112 4.466 4.340 0.397 0.000 0.208 435 L C 2.498 179.354 176.870 -0.024 0.000 1.085 435 L CA 0.927 55.601 54.840 -0.276 0.000 0.755 435 L CB -0.323 41.561 42.059 -0.292 0.000 0.904 435 L HN 0.326 nan 8.230 nan 0.000 0.435 436 W N 0.862 122.078 121.300 -0.140 0.000 2.381 436 W HA -0.212 4.703 4.660 0.425 0.000 0.301 436 W C 2.344 178.828 176.519 -0.059 0.000 1.205 436 W CA 1.874 59.157 57.345 -0.104 0.000 1.285 436 W CB 0.082 29.478 29.460 -0.105 0.000 1.133 436 W HN 0.283 nan 8.180 nan 0.000 0.521 437 T N -2.125 112.407 114.554 -0.037 0.000 3.057 437 T HA 0.108 4.696 4.350 0.397 0.000 0.254 437 T C 0.939 175.596 174.700 -0.072 0.000 1.094 437 T CA 0.403 62.438 62.100 -0.109 0.000 1.088 437 T CB -0.034 68.839 68.868 0.009 0.000 0.934 437 T HN 0.009 nan 8.240 nan 0.000 0.497 438 K N 0.912 121.317 120.400 0.009 0.000 2.972 438 K HA 0.311 4.869 4.320 0.397 0.000 0.209 438 K C 1.074 177.775 176.600 0.168 0.000 1.128 438 K CA -0.246 56.089 56.287 0.080 0.000 1.024 438 K CB 0.222 32.809 32.500 0.144 0.000 0.754 438 K HN 0.168 nan 8.250 nan 0.000 0.454 439 N N 2.166 120.888 118.700 0.036 0.000 2.166 439 N HA -0.168 4.810 4.740 0.397 0.000 0.186 439 N C 0.786 176.376 175.510 0.134 0.000 1.019 439 N CA 1.598 54.681 53.050 0.056 0.000 0.856 439 N CB 0.271 38.700 38.487 -0.097 0.000 0.993 439 N HN 0.366 nan 8.380 nan 0.000 0.426 440 D N 0.036 120.463 120.400 0.044 0.000 2.371 440 D HA -0.111 4.767 4.640 0.397 0.000 0.221 440 D C 0.600 176.908 176.300 0.014 0.000 0.986 440 D CA 0.562 54.577 54.000 0.026 0.000 0.899 440 D CB -0.312 40.479 40.800 -0.016 0.000 0.902 440 D HN 0.475 nan 8.370 nan 0.000 0.530 441 E N -0.605 119.594 120.200 -0.003 0.000 2.489 441 E HA 0.024 4.612 4.350 0.397 0.000 0.193 441 E C -0.408 175.962 176.600 -0.383 0.000 1.057 441 E CA 0.113 56.392 56.400 -0.202 0.000 0.866 441 E CB 0.213 29.720 29.700 -0.321 0.000 0.916 441 E HN 0.411 nan 8.360 nan 0.000 0.500 442 Y N 0.514 120.737 120.300 -0.128 0.000 2.429 442 Y HA 0.238 4.728 4.550 -0.100 0.000 0.342 442 Y C 0.375 176.311 175.900 0.060 0.000 1.004 442 Y CA -1.369 56.622 58.100 -0.181 0.000 1.075 442 Y CB 1.283 39.570 38.460 -0.289 0.000 1.214 442 Y HN -0.180 nan 8.280 nan 0.000 0.455 443 D N 0.405 121.041 120.400 0.395 0.000 2.466 443 D HA 0.123 5.001 4.640 0.397 0.000 0.262 443 D C -0.421 176.092 176.300 0.355 0.000 1.177 443 D CA -0.462 53.727 54.000 0.315 0.000 1.035 443 D CB 0.589 41.536 40.800 0.245 0.000 1.105 443 D HN 0.446 nan 8.370 nan 0.000 0.551 444 N N 1.421 120.244 118.700 0.204 0.000 3.103 444 N HA 0.085 5.063 4.740 0.397 0.000 0.305 444 N C -0.404 175.175 175.510 0.115 0.000 1.232 444 N CA 0.253 53.391 53.050 0.146 0.000 1.190 444 N CB 0.059 38.577 38.487 0.051 0.000 1.461 444 N HN 0.309 nan 8.380 nan 0.000 0.538 445 E N -1.077 119.225 120.200 0.169 0.000 2.445 445 E HA 0.462 5.050 4.350 0.397 0.000 0.273 445 E C -0.776 175.809 176.600 -0.026 0.000 0.961 445 E CA -1.014 55.376 56.400 -0.017 0.000 0.807 445 E CB 1.760 31.317 29.700 -0.238 0.000 1.362 445 E HN -0.119 nan 8.360 nan 0.000 0.453 446 V N 1.866 121.733 119.914 -0.079 0.000 2.383 446 V HA 0.296 4.654 4.120 0.397 0.000 0.275 446 V C -1.057 174.988 176.094 -0.081 0.000 1.036 446 V CA -0.385 61.925 62.300 0.016 0.000 0.889 446 V CB -0.330 31.529 31.823 0.060 0.000 0.985 446 V HN 0.489 nan 8.190 nan 0.000 0.459 447 Y N 3.552 123.955 120.300 0.173 0.000 2.487 447 Y HA 0.701 5.537 4.550 0.478 0.000 0.337 447 Y C 0.556 176.548 175.900 0.154 0.000 1.076 447 Y CA -0.914 57.300 58.100 0.190 0.000 1.115 447 Y CB 1.805 40.429 38.460 0.274 0.000 1.235 447 Y HN 0.472 nan 8.280 nan 0.000 0.468 448 R N 1.459 122.141 120.500 0.305 0.000 2.732 448 R HA 0.558 5.136 4.340 0.397 0.000 0.278 448 R C -1.082 175.335 176.300 0.194 0.000 0.976 448 R CA -1.033 55.192 56.100 0.208 0.000 0.963 448 R CB 1.472 31.874 30.300 0.169 0.000 1.150 448 R HN 0.555 nan 8.270 nan 0.000 0.478 449 L N 3.375 124.678 121.223 0.133 0.000 2.483 449 L HA 0.177 4.755 4.340 0.397 0.000 0.275 449 L C -1.621 175.283 176.870 0.057 0.000 1.220 449 L CA -1.483 53.409 54.840 0.087 0.000 0.833 449 L CB 0.091 42.174 42.059 0.039 0.000 1.102 449 L HN 0.346 nan 8.230 nan 0.000 0.490 450 P HA 0.049 nan 4.420 nan 0.000 0.274 450 P C 0.020 177.275 177.300 -0.075 0.000 1.231 450 P CA -0.501 62.599 63.100 0.000 0.000 0.790 450 P CB 0.893 32.605 31.700 0.020 0.000 0.951 451 K N 1.499 121.919 120.400 0.033 0.000 2.074 451 K HA -0.245 4.312 4.320 0.397 0.000 0.209 451 K C 2.096 178.707 176.600 0.018 0.000 1.048 451 K CA 1.755 58.078 56.287 0.060 0.000 0.926 451 K CB -0.433 32.141 32.500 0.123 0.000 0.713 451 K HN 0.631 nan 8.250 nan 0.000 0.444 452 H N 0.197 119.289 119.070 0.037 0.000 2.422 452 H HA -0.127 4.664 4.556 0.392 0.000 0.298 452 H C 1.950 177.302 175.328 0.040 0.000 1.098 452 H CA 1.380 57.438 56.048 0.017 0.000 1.315 452 H CB -0.435 29.322 29.762 -0.007 0.000 1.382 452 H HN 0.262 nan 8.280 nan 0.000 0.523 453 L N 0.524 121.436 121.223 -0.518 0.000 2.109 453 L HA -0.107 4.471 4.340 0.397 0.000 0.207 453 L C 2.282 179.106 176.870 -0.076 0.000 1.086 453 L CA 0.996 55.685 54.840 -0.251 0.000 0.760 453 L CB -0.291 41.603 42.059 -0.274 0.000 0.910 453 L HN 0.133 nan 8.230 nan 0.000 0.437 454 D N 0.465 120.828 120.400 -0.063 0.000 2.092 454 D HA -0.195 4.683 4.640 0.397 0.000 0.193 454 D C 2.111 178.409 176.300 -0.003 0.000 0.994 454 D CA 1.296 55.281 54.000 -0.024 0.000 0.828 454 D CB -0.059 40.733 40.800 -0.013 0.000 0.963 454 D HN 0.324 nan 8.370 nan 0.000 0.450 455 E N 0.565 120.790 120.200 0.042 0.000 2.097 455 E HA -0.219 4.368 4.350 0.397 0.000 0.196 455 E C 2.007 178.658 176.600 0.085 0.000 1.000 455 E CA 0.856 57.313 56.400 0.096 0.000 0.804 455 E CB -0.045 29.752 29.700 0.161 0.000 0.740 455 E HN 0.212 nan 8.360 nan 0.000 0.454 456 K N 0.972 121.416 120.400 0.073 0.000 2.034 456 K HA -0.215 4.343 4.320 0.397 0.000 0.214 456 K C 2.143 178.773 176.600 0.049 0.000 1.051 456 K CA 1.748 58.076 56.287 0.068 0.000 0.931 456 K CB -0.144 32.400 32.500 0.074 0.000 0.715 456 K HN -0.001 nan 8.250 nan 0.000 0.446 457 V N 1.156 121.094 119.914 0.039 0.000 2.295 457 V HA -0.261 4.097 4.120 0.397 0.000 0.246 457 V C 2.505 178.665 176.094 0.110 0.000 1.049 457 V CA 2.004 64.341 62.300 0.062 0.000 1.024 457 V CB -0.850 30.988 31.823 0.024 0.000 0.648 457 V HN 0.523 nan 8.190 nan 0.000 0.447 458 A N -0.085 122.742 122.820 0.013 0.000 1.883 458 A HA -0.304 4.254 4.320 0.397 0.000 0.217 458 A C 2.407 180.027 177.584 0.061 0.000 1.186 458 A CA 2.306 54.327 52.037 -0.027 0.000 0.624 458 A CB -0.659 18.302 19.000 -0.066 0.000 0.822 458 A HN 0.477 nan 8.150 nan 0.000 0.444 459 R N -0.416 120.122 120.500 0.064 0.000 2.103 459 R HA -0.153 4.425 4.340 0.397 0.000 0.242 459 R C 1.986 178.305 176.300 0.032 0.000 1.142 459 R CA 1.894 58.032 56.100 0.064 0.000 0.960 459 R CB -0.472 29.872 30.300 0.074 0.000 0.858 459 R HN 0.606 nan 8.270 nan 0.000 0.439 460 I N -0.489 120.068 120.570 -0.022 0.000 2.163 460 I HA -0.304 4.104 4.170 0.397 0.000 0.243 460 I C 1.878 177.873 176.117 -0.204 0.000 1.085 460 I CA 1.741 62.949 61.300 -0.155 0.000 1.347 460 I CB -0.307 37.516 38.000 -0.296 0.000 1.044 460 I HN 0.320 nan 8.210 nan 0.000 0.408 461 H N -0.708 118.345 119.070 -0.028 0.000 2.403 461 H HA -0.037 4.756 4.556 0.395 0.000 0.298 461 H C 2.245 177.672 175.328 0.165 0.000 1.059 461 H CA 0.973 57.055 56.048 0.057 0.000 1.363 461 H CB -0.322 29.384 29.762 -0.094 0.000 1.410 461 H HN 0.033 nan 8.280 nan 0.000 0.528 462 V N 1.088 121.111 119.914 0.181 0.000 2.252 462 V HA -0.306 4.052 4.120 0.397 0.000 0.249 462 V C 2.484 178.636 176.094 0.096 0.000 1.056 462 V CA 2.291 64.664 62.300 0.121 0.000 1.022 462 V CB -0.425 31.449 31.823 0.085 0.000 0.641 462 V HN 0.415 nan 8.190 nan 0.000 0.445 463 E N 1.044 121.294 120.200 0.084 0.000 2.049 463 E HA -0.245 4.343 4.350 0.397 0.000 0.198 463 E C 2.072 178.721 176.600 0.082 0.000 1.007 463 E CA 2.071 58.515 56.400 0.074 0.000 0.809 463 E CB -0.641 29.088 29.700 0.049 0.000 0.749 463 E HN 0.508 nan 8.360 nan 0.000 0.450 464 A N 0.205 123.090 122.820 0.108 0.000 1.978 464 A HA -0.100 4.458 4.320 0.397 0.000 0.220 464 A C 2.248 179.904 177.584 0.121 0.000 1.170 464 A CA 1.446 53.574 52.037 0.151 0.000 0.636 464 A CB -0.547 18.611 19.000 0.264 0.000 0.810 464 A HN 0.377 nan 8.150 nan 0.000 0.448 465 L N -1.718 119.563 121.223 0.097 0.000 2.558 465 L HA 0.204 4.782 4.340 0.397 0.000 0.225 465 L C 1.559 178.401 176.870 -0.046 0.000 1.128 465 L CA 0.552 55.374 54.840 -0.030 0.000 0.868 465 L CB -0.026 42.000 42.059 -0.056 0.000 1.006 465 L HN 0.588 nan 8.230 nan 0.000 0.454 466 G N 0.112 108.901 108.800 -0.018 0.000 2.130 466 G HA2 -0.194 4.004 3.960 0.397 0.000 0.216 466 G HA3 -0.194 4.004 3.960 0.397 0.000 0.216 466 G C 0.459 175.213 174.900 -0.243 0.000 0.999 466 G CA -0.232 44.831 45.100 -0.062 0.000 0.686 466 G HN 0.473 nan 8.290 nan 0.000 0.515 467 G N -0.521 108.192 108.800 -0.145 0.000 2.432 467 G HA2 0.538 4.736 3.960 0.397 0.000 0.257 467 G HA3 0.538 4.736 3.960 0.397 0.000 0.257 467 G C -0.420 174.413 174.900 -0.111 0.000 1.238 467 G CA -0.390 44.605 45.100 -0.174 0.000 0.838 467 G HN 0.597 nan 8.290 nan 0.000 0.547 468 H N 1.614 120.695 119.070 0.019 0.000 2.685 468 H HA 0.293 5.086 4.556 0.396 0.000 0.307 468 H C 0.067 175.401 175.328 0.010 0.000 1.017 468 H CA -0.840 55.216 56.048 0.014 0.000 1.237 468 H CB 1.348 31.115 29.762 0.009 0.000 1.409 468 H HN 0.226 nan 8.280 nan 0.000 0.488 469 L N 2.570 123.867 121.223 0.124 0.000 2.417 469 L HA 0.165 4.743 4.340 0.397 0.000 0.268 469 L C 0.569 177.465 176.870 0.044 0.000 1.158 469 L CA -0.124 54.751 54.840 0.058 0.000 0.819 469 L CB 0.800 42.881 42.059 0.037 0.000 1.112 469 L HN 0.595 nan 8.230 nan 0.000 0.458 470 T N 2.426 116.986 114.554 0.011 0.000 2.856 470 T HA 0.176 4.764 4.350 0.397 0.000 0.292 470 T C -0.050 174.639 174.700 -0.017 0.000 0.980 470 T CA -0.486 61.614 62.100 -0.000 0.000 1.091 470 T CB 1.035 69.897 68.868 -0.010 0.000 0.936 470 T HN 0.399 nan 8.240 nan 0.000 0.503 471 K N 3.886 124.286 120.400 0.000 0.000 2.211 471 K HA 0.375 4.933 4.320 0.397 0.000 0.275 471 K C -0.263 176.346 176.600 0.014 0.000 1.024 471 K CA -0.655 55.640 56.287 0.013 0.000 0.887 471 K CB 0.483 33.000 32.500 0.028 0.000 1.084 471 K HN 0.521 nan 8.250 nan 0.000 0.463 472 L N 3.779 125.017 121.223 0.025 0.000 2.514 472 L HA -0.004 4.574 4.340 0.397 0.000 0.280 472 L C 1.009 177.903 176.870 0.040 0.000 1.223 472 L CA 0.079 54.941 54.840 0.038 0.000 0.864 472 L CB 0.371 42.476 42.059 0.078 0.000 1.118 472 L HN 0.822 nan 8.230 nan 0.000 0.494 473 T N -0.814 113.757 114.554 0.028 0.000 2.828 473 T HA 0.096 4.684 4.350 0.397 0.000 0.290 473 T C 1.009 175.731 174.700 0.037 0.000 1.019 473 T CA -0.681 61.434 62.100 0.025 0.000 1.031 473 T CB 1.122 69.996 68.868 0.010 0.000 1.001 473 T HN 0.634 nan 8.240 nan 0.000 0.531 474 K N 0.369 120.788 120.400 0.032 0.000 2.074 474 K HA -0.209 4.349 4.320 0.397 0.000 0.209 474 K C 2.074 178.700 176.600 0.044 0.000 1.048 474 K CA 2.046 58.355 56.287 0.037 0.000 0.926 474 K CB -0.198 32.319 32.500 0.028 0.000 0.713 474 K HN 0.729 nan 8.250 nan 0.000 0.444 475 E N 0.579 120.799 120.200 0.035 0.000 2.031 475 E HA -0.207 4.381 4.350 0.397 0.000 0.193 475 E C 2.106 178.746 176.600 0.067 0.000 0.994 475 E CA 1.457 57.881 56.400 0.040 0.000 0.800 475 E CB -0.188 29.517 29.700 0.009 0.000 0.752 475 E HN 0.352 nan 8.360 nan 0.000 0.447 476 Q N 0.184 120.012 119.800 0.048 0.000 2.061 476 Q HA -0.144 4.434 4.340 0.397 0.000 0.204 476 Q C 2.275 178.358 176.000 0.137 0.000 0.984 476 Q CA 1.572 57.422 55.803 0.077 0.000 0.846 476 Q CB -0.315 28.447 28.738 0.040 0.000 0.902 476 Q HN 0.351 nan 8.270 nan 0.000 0.421 477 A N 0.927 123.810 122.820 0.106 0.000 1.930 477 A HA -0.237 4.321 4.320 0.397 0.000 0.217 477 A C 1.889 179.535 177.584 0.102 0.000 1.175 477 A CA 1.476 53.580 52.037 0.111 0.000 0.627 477 A CB -0.451 18.607 19.000 0.098 0.000 0.815 477 A HN 0.393 nan 8.150 nan 0.000 0.443 478 E N -1.668 118.591 120.200 0.099 0.000 2.110 478 E HA -0.227 4.361 4.350 0.397 0.000 0.193 478 E C 1.766 178.436 176.600 0.117 0.000 0.988 478 E CA 1.343 57.797 56.400 0.090 0.000 0.804 478 E CB -0.252 29.497 29.700 0.082 0.000 0.745 478 E HN 0.746 nan 8.360 nan 0.000 0.458 479 Y N 0.630 120.942 120.300 0.019 0.000 2.242 479 Y HA -0.103 4.685 4.550 0.397 0.000 0.291 479 Y C 1.769 177.680 175.900 0.018 0.000 1.137 479 Y CA 1.272 59.382 58.100 0.017 0.000 1.181 479 Y CB 0.090 38.559 38.460 0.015 0.000 0.989 479 Y HN 0.016 nan 8.280 nan 0.000 0.527 480 L N -0.842 120.448 121.223 0.110 0.000 2.418 480 L HA 0.136 4.714 4.340 0.397 0.000 0.218 480 L C 1.577 178.445 176.870 -0.004 0.000 1.125 480 L CA 0.763 55.620 54.840 0.029 0.000 0.835 480 L CB -0.686 41.430 42.059 0.096 0.000 0.953 480 L HN 0.456 nan 8.230 nan 0.000 0.454 481 G N 1.277 110.084 108.800 0.011 0.000 2.198 481 G HA2 -0.218 3.980 3.960 0.397 0.000 0.257 481 G HA3 -0.218 3.980 3.960 0.397 0.000 0.257 481 G C 0.019 174.928 174.900 0.014 0.000 1.042 481 G CA 0.326 45.428 45.100 0.003 0.000 0.791 481 G HN 0.306 nan 8.290 nan 0.000 0.502 482 V N -3.969 115.968 119.914 0.038 0.000 3.074 482 V HA 0.871 5.229 4.120 0.397 0.000 0.314 482 V C -0.224 175.889 176.094 0.032 0.000 1.117 482 V CA -1.550 60.769 62.300 0.031 0.000 1.014 482 V CB 2.174 34.047 31.823 0.084 0.000 1.057 482 V HN 0.031 nan 8.190 nan 0.000 0.438 483 D N 0.990 121.380 120.400 -0.016 0.000 2.304 483 D HA 0.360 5.238 4.640 0.397 0.000 0.247 483 D C 1.309 177.633 176.300 0.040 0.000 1.089 483 D CA -0.178 53.816 54.000 -0.009 0.000 0.910 483 D CB 2.114 42.882 40.800 -0.054 0.000 1.199 483 D HN 0.406 nan 8.370 nan 0.000 0.426 484 V N 2.047 122.009 119.914 0.079 0.000 2.380 484 V HA -0.269 4.089 4.120 0.397 0.000 0.251 484 V C 1.531 177.745 176.094 0.200 0.000 1.063 484 V CA 1.836 64.227 62.300 0.152 0.000 1.055 484 V CB -0.487 31.393 31.823 0.096 0.000 0.657 484 V HN 0.506 nan 8.190 nan 0.000 0.455 485 E N 0.116 120.353 120.200 0.062 0.000 2.489 485 E HA 0.390 4.978 4.350 0.397 0.000 0.193 485 E C 1.012 177.489 176.600 -0.204 0.000 1.057 485 E CA 0.623 57.037 56.400 0.023 0.000 0.866 485 E CB -0.143 29.554 29.700 -0.006 0.000 0.916 485 E HN 0.617 nan 8.360 nan 0.000 0.500 486 G N 1.563 110.006 108.800 -0.594 0.000 2.796 486 G HA2 -0.180 4.018 3.960 0.397 0.000 0.571 486 G HA3 -0.180 4.018 3.960 0.397 0.000 0.571 486 G C -2.456 172.186 174.900 -0.430 0.000 1.370 486 G CA -0.696 43.728 45.100 -1.127 0.000 0.856 486 G HN 0.076 nan 8.290 nan 0.000 0.538 487 P HA 0.349 nan 4.420 nan 0.000 0.272 487 P C -0.228 176.831 177.300 -0.403 0.000 1.240 487 P CA 0.054 62.945 63.100 -0.347 0.000 0.791 487 P CB 0.286 31.950 31.700 -0.060 0.000 0.978 488 Y N -1.329 118.986 120.300 0.025 0.000 2.445 488 Y HA 0.225 5.014 4.550 0.399 0.000 0.247 488 Y C 0.990 176.816 175.900 -0.124 0.000 1.129 488 Y CA -0.031 58.051 58.100 -0.030 0.000 1.251 488 Y CB 0.637 39.089 38.460 -0.013 0.000 1.176 488 Y HN 0.042 nan 8.280 nan 0.000 0.522 489 K N 1.043 121.430 120.400 -0.022 0.000 2.426 489 K HA 0.388 4.946 4.320 0.397 0.000 0.251 489 K C -2.904 173.627 176.600 -0.115 0.000 0.941 489 K CA -2.136 54.020 56.287 -0.219 0.000 0.808 489 K CB 1.593 33.860 32.500 -0.388 0.000 1.265 489 K HN -0.173 nan 8.250 nan 0.000 0.432 490 P HA 0.051 nan 4.420 nan 0.000 0.272 490 P C 0.242 177.477 177.300 -0.108 0.000 1.230 490 P CA -0.006 63.017 63.100 -0.127 0.000 0.788 490 P CB 0.759 32.338 31.700 -0.201 0.000 0.949 491 D N 0.056 120.466 120.400 0.016 0.000 2.221 491 D HA -0.228 4.650 4.640 0.397 0.000 0.204 491 D C 1.411 177.788 176.300 0.128 0.000 0.982 491 D CA 1.391 55.452 54.000 0.102 0.000 0.857 491 D CB -0.309 40.575 40.800 0.140 0.000 0.934 491 D HN 0.633 nan 8.370 nan 0.000 0.475 492 H N -2.983 116.159 119.070 0.119 0.000 2.539 492 H HA 0.133 4.927 4.556 0.396 0.000 0.269 492 H C -0.121 175.266 175.328 0.098 0.000 0.980 492 H CA -0.578 55.528 56.048 0.097 0.000 1.152 492 H CB -0.959 28.839 29.762 0.059 0.000 1.407 492 H HN 0.156 nan 8.280 nan 0.000 0.564 493 Y N 2.375 122.486 120.300 -0.314 0.000 2.610 493 Y HA 0.009 4.797 4.550 0.395 0.000 0.332 493 Y C 1.014 176.826 175.900 -0.148 0.000 1.201 493 Y CA 0.054 57.959 58.100 -0.324 0.000 1.465 493 Y CB 0.599 38.769 38.460 -0.484 0.000 1.283 493 Y HN 0.158 nan 8.280 nan 0.000 0.563 494 R N 3.653 123.748 120.500 -0.674 0.000 2.308 494 R HA 0.098 4.676 4.340 0.397 0.000 0.202 494 R C -0.825 175.412 176.300 -0.104 0.000 0.898 494 R CA -0.071 55.887 56.100 -0.238 0.000 1.046 494 R CB 0.096 30.282 30.300 -0.189 0.000 1.026 494 R HN 0.829 nan 8.270 nan 0.000 0.512 495 Y N 0.000 119.994 120.300 -0.510 0.000 2.660 495 Y HA 0.000 4.788 4.550 0.396 0.000 0.201 495 Y CA 0.000 58.043 58.100 -0.094 0.000 1.940 495 Y CB 0.000 38.539 38.460 0.132 0.000 1.050 495 Y HN 0.000 nan 8.280 nan 0.000 0.758