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 2xj8_1_A DATA FIRST_RESID 2 DATA SEQUENCE KTLVHVASVE KGRSYEDFQK VYNAIALKLR EDDEYDNYIG YGPVLVRLAW DATA SEQUENCE HTSGTWDKHD NTGGSYGGTY RFKKEFNDPS NAGLQNGFKF LEPIHKEFPW DATA SEQUENCE ISSGDLFSLG GVTAVQEMQG PKIPWRCGRV DTPEDTTPDN GRLPDADKDA DATA SEQUENCE DYVRTFFQRL NMNDREVVAL MGAHALGKTH LKNSGYEGPW GAANNVFTNE DATA SEQUENCE FYLNLLNEDW KLEKNDANNE QWDSKSGYMM LPTDYSLIQD PKYLSIVKEY DATA SEQUENCE ANDQDKFFKD FSKAFEKLLE NGITFPKDAP SPFIFKTLEE QGL 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.578 176.600 -0.037 0.000 0.988 2 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 2 K CB 0.000 32.483 32.500 -0.028 0.000 1.064 3 T N -0.001 114.525 114.554 -0.046 0.000 2.886 3 T HA 0.552 5.280 4.350 0.630 0.000 0.292 3 T C 0.169 174.810 174.700 -0.098 0.000 1.012 3 T CA -1.053 61.009 62.100 -0.064 0.000 0.982 3 T CB 0.823 69.660 68.868 -0.050 0.000 1.018 3 T HN 0.356 nan 8.240 nan 0.000 0.451 4 L N 1.879 123.017 121.223 -0.142 0.000 2.483 4 L HA 0.465 5.184 4.340 0.630 0.000 0.275 4 L C 0.062 176.741 176.870 -0.319 0.000 1.220 4 L CA -0.949 53.745 54.840 -0.242 0.000 0.833 4 L CB -0.026 41.813 42.059 -0.368 0.000 1.102 4 L HN 0.413 nan 8.230 nan 0.000 0.490 5 V N 0.982 120.704 119.914 -0.319 0.000 2.398 5 V HA 0.262 4.760 4.120 0.630 0.000 0.286 5 V C -0.468 175.375 176.094 -0.419 0.000 1.026 5 V CA -0.398 61.722 62.300 -0.300 0.000 0.868 5 V CB 1.146 32.870 31.823 -0.164 0.000 0.982 5 V HN 0.625 nan 8.190 nan 0.000 0.443 6 H N 2.695 121.536 119.070 -0.381 0.000 2.718 6 H HA 0.504 5.436 4.556 0.626 0.000 0.295 6 H C -0.610 174.342 175.328 -0.628 0.000 1.051 6 H CA -0.718 54.860 56.048 -0.783 0.000 1.260 6 H CB 1.597 30.460 29.762 -1.497 0.000 1.403 6 H HN 0.477 nan 8.280 nan 0.000 0.488 7 V N 2.732 122.527 119.914 -0.198 0.000 2.432 7 V HA 0.307 4.805 4.120 0.630 0.000 0.275 7 V C 0.708 176.831 176.094 0.048 0.000 1.043 7 V CA -0.861 61.377 62.300 -0.103 0.000 0.925 7 V CB 0.969 32.771 31.823 -0.034 0.000 0.985 7 V HN 0.877 nan 8.190 nan 0.000 0.466 8 A N 4.128 126.893 122.820 -0.093 0.000 2.546 8 A HA 0.431 5.130 4.320 0.630 0.000 0.243 8 A C 0.544 178.156 177.584 0.046 0.000 1.063 8 A CA 0.389 52.405 52.037 -0.034 0.000 0.757 8 A CB 0.232 19.063 19.000 -0.282 0.000 0.991 8 A HN 0.978 nan 8.150 nan 0.000 0.503 9 S N 2.558 118.301 115.700 0.072 0.000 2.756 9 S HA 0.443 5.291 4.470 0.630 0.000 0.303 9 S C -0.540 174.122 174.600 0.105 0.000 1.135 9 S CA -0.641 57.609 58.200 0.084 0.000 1.066 9 S CB 0.624 63.878 63.200 0.090 0.000 1.008 9 S HN 0.822 nan 8.310 nan 0.000 0.482 10 V N 4.934 124.925 119.914 0.128 0.000 2.617 10 V HA 0.063 4.561 4.120 0.630 0.000 0.304 10 V C 0.586 176.809 176.094 0.216 0.000 1.040 10 V CA 0.083 62.502 62.300 0.198 0.000 1.149 10 V CB -0.142 31.801 31.823 0.200 0.000 0.914 10 V HN 0.857 nan 8.190 nan 0.000 0.487 11 E N 3.415 123.809 120.200 0.322 0.000 2.529 11 E HA 0.010 4.738 4.350 0.630 0.000 0.259 11 E C 0.262 176.956 176.600 0.157 0.000 0.966 11 E CA 0.201 56.772 56.400 0.285 0.000 0.937 11 E CB 0.206 30.189 29.700 0.472 0.000 0.923 11 E HN 0.545 nan 8.360 nan 0.000 0.468 12 K N 1.808 122.266 120.400 0.096 0.000 2.447 12 K HA 0.090 4.788 4.320 0.630 0.000 0.281 12 K C 0.915 177.501 176.600 -0.023 0.000 1.031 12 K CA 0.942 57.255 56.287 0.044 0.000 1.019 12 K CB -0.054 32.467 32.500 0.036 0.000 0.918 12 K HN 0.681 nan 8.250 nan 0.000 0.476 13 G N 3.348 112.145 108.800 -0.006 0.000 2.179 13 G HA2 -0.248 4.090 3.960 0.630 0.000 0.260 13 G HA3 -0.248 4.090 3.960 0.630 0.000 0.260 13 G C -0.058 174.796 174.900 -0.078 0.000 0.977 13 G CA -0.022 45.053 45.100 -0.041 0.000 0.641 13 G HN 0.574 nan 8.290 nan 0.000 0.533 14 R N 0.743 121.197 120.500 -0.077 0.000 2.531 14 R HA 0.712 5.430 4.340 0.630 0.000 0.273 14 R C 0.654 177.030 176.300 0.126 0.000 1.070 14 R CA 0.572 56.584 56.100 -0.147 0.000 1.112 14 R CB 1.295 31.387 30.300 -0.347 0.000 1.049 14 R HN 0.801 nan 8.270 nan 0.000 0.508 15 S N -0.358 115.405 115.700 0.104 0.000 2.840 15 S HA 0.161 5.009 4.470 0.630 0.000 0.307 15 S C 0.804 175.505 174.600 0.169 0.000 1.180 15 S CA -0.823 57.526 58.200 0.248 0.000 0.846 15 S CB 0.445 63.734 63.200 0.149 0.000 1.233 15 S HN 0.692 nan 8.310 nan 0.000 0.548 16 Y N 1.978 122.150 120.300 -0.213 0.000 2.102 16 Y HA -0.267 4.660 4.550 0.630 0.000 0.280 16 Y C 2.619 178.456 175.900 -0.105 0.000 1.178 16 Y CA 2.725 60.504 58.100 -0.535 0.000 1.146 16 Y CB -0.421 37.790 38.460 -0.415 0.000 0.968 16 Y HN 0.919 nan 8.280 nan 0.000 0.504 17 E N -0.432 119.737 120.200 -0.052 0.000 2.085 17 E HA -0.270 4.458 4.350 0.630 0.000 0.194 17 E C 1.622 178.121 176.600 -0.168 0.000 0.994 17 E CA 1.703 58.033 56.400 -0.116 0.000 0.801 17 E CB -0.636 29.056 29.700 -0.015 0.000 0.743 17 E HN 0.575 nan 8.360 nan 0.000 0.453 18 D N 0.377 120.663 120.400 -0.191 0.000 2.097 18 D HA -0.141 4.877 4.640 0.630 0.000 0.195 18 D C 1.913 178.060 176.300 -0.255 0.000 0.989 18 D CA 1.282 55.108 54.000 -0.290 0.000 0.827 18 D CB -0.330 40.066 40.800 -0.674 0.000 0.966 18 D HN 0.291 nan 8.370 nan 0.000 0.456 19 F N 0.823 120.747 119.950 -0.043 0.000 2.325 19 F HA -0.089 4.817 4.527 0.631 0.000 0.299 19 F C 2.662 178.121 175.800 -0.568 0.000 1.090 19 F CA 0.409 58.312 58.000 -0.161 0.000 1.392 19 F CB -0.210 38.866 39.000 0.128 0.000 1.053 19 F HN -0.138 nan 8.300 nan 0.000 0.521 20 Q N 1.205 120.792 119.800 -0.355 0.000 2.167 20 Q HA -0.157 4.561 4.340 0.630 0.000 0.202 20 Q C 1.834 177.645 176.000 -0.315 0.000 0.970 20 Q CA 1.617 57.143 55.803 -0.461 0.000 0.855 20 Q CB -0.176 28.299 28.738 -0.438 0.000 0.911 20 Q HN 0.272 nan 8.270 nan 0.000 0.438 21 K N -0.884 119.355 120.400 -0.269 0.000 2.097 21 K HA -0.087 4.611 4.320 0.630 0.000 0.206 21 K C 1.936 178.260 176.600 -0.459 0.000 1.049 21 K CA 1.417 57.572 56.287 -0.219 0.000 0.933 21 K CB -0.018 32.441 32.500 -0.070 0.000 0.717 21 K HN 0.081 nan 8.250 nan 0.000 0.442 22 V N 0.621 120.084 119.914 -0.752 0.000 2.307 22 V HA -0.269 4.229 4.120 0.630 0.000 0.245 22 V C 2.003 177.764 176.094 -0.555 0.000 1.045 22 V CA 1.625 63.331 62.300 -0.988 0.000 1.024 22 V CB -0.644 30.619 31.823 -0.934 0.000 0.651 22 V HN 0.275 nan 8.190 nan 0.000 0.449 23 Y N 1.785 121.688 120.300 -0.662 0.000 2.040 23 Y HA -0.373 4.555 4.550 0.630 0.000 0.275 23 Y C 2.462 178.163 175.900 -0.333 0.000 1.171 23 Y CA 2.549 60.303 58.100 -0.575 0.000 1.123 23 Y CB -0.526 37.461 38.460 -0.788 0.000 0.963 23 Y HN 0.327 nan 8.280 nan 0.000 0.493 24 N N -0.216 118.472 118.700 -0.022 0.000 2.166 24 N HA -0.215 4.903 4.740 0.630 0.000 0.186 24 N C 1.955 177.427 175.510 -0.063 0.000 1.019 24 N CA 0.744 53.805 53.050 0.019 0.000 0.856 24 N CB -0.346 38.159 38.487 0.030 0.000 0.993 24 N HN 0.509 nan 8.380 nan 0.000 0.426 25 A N 1.339 124.105 122.820 -0.090 0.000 1.902 25 A HA -0.106 4.592 4.320 0.630 0.000 0.217 25 A C 2.122 179.643 177.584 -0.104 0.000 1.181 25 A CA 0.998 53.013 52.037 -0.037 0.000 0.623 25 A CB -0.584 18.488 19.000 0.120 0.000 0.818 25 A HN 0.181 nan 8.150 nan 0.000 0.443 26 I N -0.223 120.246 120.570 -0.168 0.000 2.179 26 I HA -0.293 4.255 4.170 0.630 0.000 0.242 26 I C 2.983 179.069 176.117 -0.051 0.000 1.088 26 I CA 1.140 62.384 61.300 -0.093 0.000 1.357 26 I CB -0.357 37.534 38.000 -0.183 0.000 1.051 26 I HN 0.354 nan 8.210 nan 0.000 0.409 27 A N 0.778 123.475 122.820 -0.206 0.000 1.902 27 A HA -0.158 4.540 4.320 0.630 0.000 0.217 27 A C 2.291 179.861 177.584 -0.023 0.000 1.181 27 A CA 1.450 53.395 52.037 -0.154 0.000 0.623 27 A CB -0.847 18.032 19.000 -0.202 0.000 0.818 27 A HN 0.388 nan 8.150 nan 0.000 0.443 28 L N -0.874 120.336 121.223 -0.021 0.000 2.093 28 L HA -0.151 4.567 4.340 0.630 0.000 0.208 28 L C 2.595 179.471 176.870 0.009 0.000 1.085 28 L CA 1.776 56.618 54.840 0.002 0.000 0.755 28 L CB -0.297 41.757 42.059 -0.008 0.000 0.904 28 L HN 0.432 nan 8.230 nan 0.000 0.435 29 K N 0.440 120.830 120.400 -0.018 0.000 2.155 29 K HA -0.125 4.573 4.320 0.630 0.000 0.203 29 K C 2.154 178.866 176.600 0.186 0.000 1.052 29 K CA 0.868 57.118 56.287 -0.061 0.000 0.948 29 K CB 0.037 32.274 32.500 -0.438 0.000 0.728 29 K HN 0.223 nan 8.250 nan 0.000 0.448 30 L N 0.563 121.971 121.223 0.308 0.000 2.042 30 L HA -0.202 4.516 4.340 0.630 0.000 0.210 30 L C 2.817 179.794 176.870 0.179 0.000 1.076 30 L CA 1.340 56.337 54.840 0.261 0.000 0.749 30 L CB -0.346 41.770 42.059 0.096 0.000 0.893 30 L HN 0.260 nan 8.230 nan 0.000 0.432 31 R N -0.041 120.531 120.500 0.119 0.000 2.066 31 R HA -0.217 4.501 4.340 0.630 0.000 0.232 31 R C 2.249 178.613 176.300 0.107 0.000 1.131 31 R CA 1.693 57.852 56.100 0.099 0.000 0.955 31 R CB -0.017 30.325 30.300 0.069 0.000 0.851 31 R HN 0.199 nan 8.270 nan 0.000 0.432 32 E N 1.009 121.263 120.200 0.090 0.000 2.031 32 E HA -0.151 4.578 4.350 0.630 0.000 0.193 32 E C 0.020 176.683 176.600 0.106 0.000 0.994 32 E CA 1.589 58.033 56.400 0.074 0.000 0.800 32 E CB -0.091 29.624 29.700 0.026 0.000 0.752 32 E HN 0.191 nan 8.360 nan 0.000 0.447 33 D N 1.257 121.753 120.400 0.160 0.000 3.134 33 D HA -0.001 5.017 4.640 0.630 0.000 0.248 33 D C -0.016 176.426 176.300 0.236 0.000 1.273 33 D CA 0.230 54.364 54.000 0.222 0.000 0.904 33 D CB -0.022 40.980 40.800 0.336 0.000 1.089 33 D HN 0.391 nan 8.370 nan 0.000 0.478 34 D N 0.181 120.663 120.400 0.136 0.000 2.347 34 D HA -0.171 4.848 4.640 0.630 0.000 0.215 34 D C 1.325 177.543 176.300 -0.136 0.000 0.976 34 D CA 0.437 54.499 54.000 0.103 0.000 0.884 34 D CB 0.188 41.092 40.800 0.174 0.000 0.915 34 D HN 0.338 nan 8.370 nan 0.000 0.526 35 E N 0.679 120.672 120.200 -0.345 0.000 2.358 35 E HA -0.173 4.555 4.350 0.630 0.000 0.195 35 E C 0.567 176.810 176.600 -0.595 0.000 1.010 35 E CA -0.357 55.428 56.400 -1.025 0.000 0.856 35 E CB -1.249 28.074 29.700 -0.629 0.000 0.795 35 E HN 0.469 nan 8.360 nan 0.000 0.504 36 Y N 3.244 123.313 120.300 -0.385 0.000 2.895 36 Y HA -0.095 4.832 4.550 0.628 0.000 0.334 36 Y C 0.206 175.910 175.900 -0.326 0.000 1.261 36 Y CA 1.181 59.031 58.100 -0.416 0.000 1.560 36 Y CB 0.200 38.131 38.460 -0.881 0.000 1.253 36 Y HN 0.003 nan 8.280 nan 0.000 0.582 37 D N 5.179 124.958 120.400 -1.035 0.000 2.746 37 D HA -0.301 4.717 4.640 0.630 0.000 0.241 37 D C -0.520 175.600 176.300 -0.300 0.000 1.140 37 D CA 1.367 54.920 54.000 -0.746 0.000 0.707 37 D CB -1.354 38.910 40.800 -0.894 0.000 1.034 37 D HN 0.840 nan 8.370 nan 0.000 0.423 38 N N 0.433 119.019 118.700 -0.190 0.000 2.725 38 N HA -0.296 4.822 4.740 0.630 0.000 0.251 38 N C 0.084 175.687 175.510 0.154 0.000 1.031 38 N CA 1.371 54.433 53.050 0.020 0.000 0.720 38 N CB -1.467 37.038 38.487 0.031 0.000 0.930 38 N HN 0.678 nan 8.380 nan 0.000 0.543 39 Y N -3.147 117.124 120.300 -0.049 0.000 4.668 39 Y HA -0.307 4.622 4.550 0.631 0.000 0.234 39 Y C 1.661 177.564 175.900 0.004 0.000 1.056 39 Y CA 0.904 59.002 58.100 -0.004 0.000 2.025 39 Y CB -1.945 36.521 38.460 0.011 0.000 1.613 39 Y HN 0.426 nan 8.280 nan 0.000 0.653 40 I N -0.197 120.397 120.570 0.040 0.000 2.439 40 I HA 0.002 4.550 4.170 0.630 0.000 0.251 40 I C 1.701 177.862 176.117 0.072 0.000 1.139 40 I CA 1.323 62.655 61.300 0.053 0.000 1.438 40 I CB -0.450 37.562 38.000 0.020 0.000 1.085 40 I HN 0.537 nan 8.210 nan 0.000 0.427 41 G N -0.397 108.433 108.800 0.050 0.000 2.707 41 G HA2 -0.283 4.056 3.960 0.630 0.000 0.686 41 G HA3 -0.283 4.056 3.960 0.630 0.000 0.686 41 G C -0.259 174.739 174.900 0.164 0.000 1.315 41 G CA -0.430 44.739 45.100 0.116 0.000 0.832 41 G HN 0.144 nan 8.290 nan 0.000 0.573 42 Y N 1.673 122.011 120.300 0.063 0.000 2.529 42 Y HA 0.202 5.129 4.550 0.628 0.000 0.290 42 Y C 2.740 178.503 175.900 -0.230 0.000 1.177 42 Y CA 1.444 59.423 58.100 -0.201 0.000 1.305 42 Y CB 0.109 38.179 38.460 -0.650 0.000 1.047 42 Y HN 0.818 nan 8.280 nan 0.000 0.522 43 G N 1.568 110.369 108.800 0.002 0.000 2.545 43 G HA2 -0.265 4.073 3.960 0.630 0.000 0.217 43 G HA3 -0.265 4.073 3.960 0.630 0.000 0.217 43 G C -0.575 174.329 174.900 0.007 0.000 1.218 43 G CA 0.984 46.067 45.100 -0.029 0.000 0.787 43 G HN 0.272 nan 8.290 nan 0.000 0.571 44 P HA -0.078 nan 4.420 nan 0.000 0.215 44 P C 2.136 179.499 177.300 0.105 0.000 1.157 44 P CA 0.958 64.114 63.100 0.093 0.000 0.868 44 P CB -0.188 31.593 31.700 0.135 0.000 0.788 45 V N -0.791 119.193 119.914 0.117 0.000 2.626 45 V HA -0.175 4.324 4.120 0.630 0.000 0.252 45 V C 2.076 178.181 176.094 0.019 0.000 1.067 45 V CA 1.481 63.839 62.300 0.096 0.000 1.081 45 V CB -1.039 30.865 31.823 0.134 0.000 0.686 45 V HN 0.011 nan 8.190 nan 0.000 0.468 46 L N -1.004 120.195 121.223 -0.040 0.000 2.093 46 L HA -0.098 4.620 4.340 0.630 0.000 0.208 46 L C 2.446 179.342 176.870 0.043 0.000 1.085 46 L CA 1.167 55.964 54.840 -0.071 0.000 0.755 46 L CB -0.505 41.435 42.059 -0.197 0.000 0.904 46 L HN 0.227 nan 8.230 nan 0.000 0.435 47 V N -0.159 119.805 119.914 0.084 0.000 2.295 47 V HA -0.302 4.197 4.120 0.630 0.000 0.246 47 V C 2.637 178.902 176.094 0.285 0.000 1.049 47 V CA 1.857 64.275 62.300 0.195 0.000 1.024 47 V CB -0.667 31.218 31.823 0.103 0.000 0.648 47 V HN 0.447 nan 8.190 nan 0.000 0.447 48 R N -0.367 120.258 120.500 0.208 0.000 2.081 48 R HA -0.183 4.536 4.340 0.630 0.000 0.235 48 R C 2.294 178.644 176.300 0.083 0.000 1.131 48 R CA 1.730 57.967 56.100 0.228 0.000 0.960 48 R CB -0.360 30.004 30.300 0.107 0.000 0.856 48 R HN 0.445 nan 8.270 nan 0.000 0.436 49 L N 0.674 121.892 121.223 -0.007 0.000 2.012 49 L HA -0.106 4.612 4.340 0.630 0.000 0.210 49 L C 2.256 179.112 176.870 -0.022 0.000 1.073 49 L CA 2.211 56.966 54.840 -0.142 0.000 0.748 49 L CB -0.695 41.234 42.059 -0.217 0.000 0.891 49 L HN 0.226 nan 8.230 nan 0.000 0.431 50 A N -0.451 122.454 122.820 0.142 0.000 1.902 50 A HA -0.280 4.418 4.320 0.630 0.000 0.217 50 A C 2.280 180.040 177.584 0.294 0.000 1.181 50 A CA 1.828 53.998 52.037 0.222 0.000 0.623 50 A CB -1.431 17.750 19.000 0.301 0.000 0.818 50 A HN 0.831 nan 8.150 nan 0.000 0.443 51 W N -0.021 121.422 121.300 0.240 0.000 2.379 51 W HA -0.186 4.856 4.660 0.637 0.000 0.307 51 W C 1.869 178.583 176.519 0.325 0.000 1.200 51 W CA 1.662 59.184 57.345 0.295 0.000 1.297 51 W CB -0.673 29.020 29.460 0.388 0.000 1.140 51 W HN 0.574 nan 8.180 nan 0.000 0.507 52 H N 0.316 119.181 119.070 -0.340 0.000 2.423 52 H HA -0.141 4.832 4.556 0.694 0.000 0.297 52 H C 2.444 177.647 175.328 -0.208 0.000 1.075 52 H CA 1.919 57.665 56.048 -0.503 0.000 1.342 52 H CB 0.024 29.580 29.762 -0.345 0.000 1.395 52 H HN 0.195 nan 8.280 nan 0.000 0.530 53 T N -2.271 112.295 114.554 0.019 0.000 3.023 53 T HA -0.016 4.713 4.350 0.630 0.000 0.266 53 T C 2.070 176.852 174.700 0.136 0.000 1.093 53 T CA 0.952 63.100 62.100 0.080 0.000 1.129 53 T CB 0.014 68.934 68.868 0.086 0.000 0.899 53 T HN 0.074 nan 8.240 nan 0.000 0.491 54 S N 1.088 116.868 115.700 0.132 0.000 2.456 54 S HA 0.253 5.101 4.470 0.630 0.000 0.224 54 S C 2.215 176.926 174.600 0.186 0.000 1.035 54 S CA 0.385 58.676 58.200 0.152 0.000 0.940 54 S CB -0.412 62.874 63.200 0.144 0.000 0.799 54 S HN 0.694 nan 8.310 nan 0.000 0.508 55 G N 1.922 110.783 108.800 0.102 0.000 2.848 55 G HA2 -0.063 4.275 3.960 0.630 0.000 0.208 55 G HA3 -0.063 4.275 3.960 0.630 0.000 0.208 55 G C 1.280 176.205 174.900 0.043 0.000 1.152 55 G CA 1.131 46.276 45.100 0.075 0.000 0.789 55 G HN 0.596 nan 8.290 nan 0.000 0.531 56 T N -3.581 111.012 114.554 0.064 0.000 3.118 56 T HA -0.025 4.703 4.350 0.630 0.000 0.260 56 T C 0.900 175.701 174.700 0.167 0.000 1.139 56 T CA -0.624 61.527 62.100 0.085 0.000 1.085 56 T CB -0.101 68.823 68.868 0.093 0.000 0.934 56 T HN 0.202 nan 8.240 nan 0.000 0.518 57 W N 3.068 124.385 121.300 0.027 0.000 2.193 57 W HA 0.381 5.410 4.660 0.614 0.000 0.338 57 W C -0.513 176.001 176.519 -0.007 0.000 1.310 57 W CA -0.490 56.873 57.345 0.030 0.000 1.243 57 W CB 0.313 29.799 29.460 0.045 0.000 1.165 57 W HN 0.037 nan 8.180 nan 0.000 0.566 58 D N 4.903 124.912 120.400 -0.651 0.000 2.471 58 D HA 0.085 5.103 4.640 0.630 0.000 0.245 58 D C 1.012 176.542 176.300 -1.284 0.000 1.116 58 D CA -0.423 53.139 54.000 -0.731 0.000 0.853 58 D CB 1.291 41.917 40.800 -0.290 0.000 1.123 58 D HN 0.574 nan 8.370 nan 0.000 0.540 59 K N 2.717 122.163 120.400 -1.590 0.000 2.211 59 K HA -0.200 4.498 4.320 0.630 0.000 0.204 59 K C 0.726 176.901 176.600 -0.709 0.000 1.047 59 K CA 1.246 56.685 56.287 -1.414 0.000 0.935 59 K CB -0.245 31.665 32.500 -0.983 0.000 0.728 59 K HN 0.432 nan 8.250 nan 0.000 0.452 60 H N 1.417 120.241 119.070 -0.410 0.000 2.389 60 H HA -0.069 4.857 4.556 0.616 0.000 0.299 60 H C 0.895 176.112 175.328 -0.184 0.000 1.081 60 H CA 1.677 57.586 56.048 -0.232 0.000 1.345 60 H CB 0.071 29.721 29.762 -0.186 0.000 1.393 60 H HN 0.680 nan 8.280 nan 0.000 0.520 61 D N -2.376 117.960 120.400 -0.106 0.000 2.525 61 D HA 0.017 5.035 4.640 0.630 0.000 0.231 61 D C 0.057 176.310 176.300 -0.079 0.000 1.216 61 D CA -0.191 53.766 54.000 -0.071 0.000 0.813 61 D CB -0.454 40.319 40.800 -0.046 0.000 1.108 61 D HN 0.091 nan 8.370 nan 0.000 0.524 62 N N 0.655 119.279 118.700 -0.127 0.000 2.747 62 N HA -0.175 4.943 4.740 0.630 0.000 0.249 62 N C -0.672 174.902 175.510 0.107 0.000 1.107 62 N CA 1.275 54.356 53.050 0.052 0.000 0.707 62 N CB -1.776 36.757 38.487 0.077 0.000 1.054 62 N HN 0.601 nan 8.380 nan 0.000 0.555 63 T N -3.146 111.423 114.554 0.026 0.000 2.849 63 T HA 0.657 5.385 4.350 0.630 0.000 0.284 63 T C 1.360 176.179 174.700 0.198 0.000 1.004 63 T CA 0.217 62.382 62.100 0.107 0.000 1.021 63 T CB 1.473 70.364 68.868 0.039 0.000 1.013 63 T HN 1.081 nan 8.240 nan 0.000 0.527 64 G N 0.185 109.120 108.800 0.224 0.000 2.569 64 G HA2 0.319 4.657 3.960 0.630 0.000 0.259 64 G HA3 0.319 4.657 3.960 0.630 0.000 0.259 64 G C 0.409 175.527 174.900 0.363 0.000 1.263 64 G CA 0.115 45.367 45.100 0.253 0.000 0.928 64 G HN 2.770 nan 8.290 nan 0.000 0.572 65 G N -2.972 106.037 108.800 0.348 0.000 2.756 65 G HA2 0.311 4.650 3.960 0.630 0.000 0.678 65 G HA3 0.311 4.650 3.960 0.630 0.000 0.678 65 G C 1.137 176.151 174.900 0.190 0.000 1.349 65 G CA 1.135 46.399 45.100 0.273 0.000 0.847 65 G HN 2.468 nan 8.290 nan 0.000 0.548 66 S N -1.163 114.607 115.700 0.117 0.000 2.453 66 S HA -0.068 4.780 4.470 0.630 0.000 0.231 66 S C 1.880 176.559 174.600 0.131 0.000 1.005 66 S CA 1.765 60.047 58.200 0.138 0.000 0.949 66 S CB -0.252 63.003 63.200 0.092 0.000 0.774 66 S HN 1.271 nan 8.310 nan 0.000 0.510 67 Y N 2.818 123.092 120.300 -0.044 0.000 2.128 67 Y HA 0.007 4.933 4.550 0.626 0.000 0.284 67 Y C 2.394 178.231 175.900 -0.106 0.000 1.154 67 Y CA 1.598 59.619 58.100 -0.132 0.000 1.149 67 Y CB -0.866 37.421 38.460 -0.289 0.000 0.976 67 Y HN 0.363 nan 8.280 nan 0.000 0.505 68 G N -1.582 107.260 108.800 0.070 0.000 2.712 68 G HA2 0.186 4.525 3.960 0.630 0.000 0.212 68 G HA3 0.186 4.525 3.960 0.630 0.000 0.212 68 G C 1.206 176.164 174.900 0.097 0.000 1.142 68 G CA 0.317 45.450 45.100 0.054 0.000 0.789 68 G HN 0.880 nan 8.290 nan 0.000 0.535 69 G N 0.335 109.224 108.800 0.148 0.000 2.221 69 G HA2 -0.292 4.047 3.960 0.630 0.000 0.265 69 G HA3 -0.292 4.047 3.960 0.630 0.000 0.265 69 G C 1.072 176.204 174.900 0.387 0.000 1.041 69 G CA 1.286 46.527 45.100 0.235 0.000 0.807 69 G HN 1.085 nan 8.290 nan 0.000 0.502 70 T N -3.161 111.623 114.554 0.384 0.000 3.160 70 T HA -0.003 4.725 4.350 0.630 0.000 0.257 70 T C 1.728 176.655 174.700 0.379 0.000 1.147 70 T CA 1.242 63.596 62.100 0.423 0.000 1.064 70 T CB -0.114 68.994 68.868 0.400 0.000 0.949 70 T HN 0.692 nan 8.240 nan 0.000 0.526 71 Y N 3.281 123.745 120.300 0.274 0.000 2.403 71 Y HA -0.145 4.778 4.550 0.622 0.000 0.291 71 Y C 2.446 178.438 175.900 0.152 0.000 1.143 71 Y CA 1.176 59.361 58.100 0.141 0.000 1.257 71 Y CB -0.246 38.167 38.460 -0.078 0.000 0.984 71 Y HN 0.265 nan 8.280 nan 0.000 0.550 72 R N -0.652 119.976 120.500 0.214 0.000 2.285 72 R HA -0.065 4.654 4.340 0.630 0.000 0.213 72 R C -0.406 175.803 176.300 -0.151 0.000 1.068 72 R CA 0.411 56.513 56.100 0.004 0.000 1.004 72 R CB -0.886 29.452 30.300 0.063 0.000 0.873 72 R HN 0.263 nan 8.270 nan 0.000 0.467 73 F N 2.223 122.195 119.950 0.037 0.000 2.385 73 F HA 0.204 5.105 4.527 0.625 0.000 0.336 73 F C 1.501 176.919 175.800 -0.637 0.000 1.100 73 F CA -1.186 56.726 58.000 -0.147 0.000 1.116 73 F CB 1.691 40.640 39.000 -0.084 0.000 1.166 73 F HN -0.120 nan 8.300 nan 0.000 0.511 74 K N 1.366 121.379 120.400 -0.645 0.000 2.209 74 K HA -0.188 4.510 4.320 0.630 0.000 0.204 74 K C 1.643 177.727 176.600 -0.860 0.000 1.048 74 K CA 1.644 57.041 56.287 -1.483 0.000 0.940 74 K CB -0.087 31.980 32.500 -0.722 0.000 0.729 74 K HN 0.596 nan 8.250 nan 0.000 0.451 75 K N 1.258 121.416 120.400 -0.402 0.000 2.057 75 K HA -0.221 4.477 4.320 0.630 0.000 0.207 75 K C 2.199 178.675 176.600 -0.207 0.000 1.049 75 K CA 1.873 58.018 56.287 -0.236 0.000 0.931 75 K CB -0.005 32.420 32.500 -0.125 0.000 0.714 75 K HN 0.432 nan 8.250 nan 0.000 0.440 76 E N -0.261 119.825 120.200 -0.190 0.000 2.076 76 E HA -0.128 4.601 4.350 0.630 0.000 0.190 76 E C 1.778 178.302 176.600 -0.126 0.000 0.979 76 E CA 0.797 57.155 56.400 -0.069 0.000 0.807 76 E CB -0.139 29.598 29.700 0.061 0.000 0.761 76 E HN 0.439 nan 8.360 nan 0.000 0.454 77 F N 0.364 120.089 119.950 -0.374 0.000 2.502 77 F HA 0.176 5.080 4.527 0.628 0.000 0.298 77 F C 1.166 176.827 175.800 -0.233 0.000 1.111 77 F CA 0.305 57.925 58.000 -0.633 0.000 1.445 77 F CB -0.397 37.897 39.000 -1.176 0.000 1.081 77 F HN -0.082 nan 8.300 nan 0.000 0.558 78 N N 0.733 119.373 118.700 -0.099 0.000 2.268 78 N HA -0.043 5.075 4.740 0.630 0.000 0.204 78 N C -0.313 175.209 175.510 0.019 0.000 1.124 78 N CA 0.171 53.233 53.050 0.020 0.000 0.838 78 N CB -0.564 37.889 38.487 -0.056 0.000 0.994 78 N HN 0.299 nan 8.380 nan 0.000 0.489 79 D N 1.539 121.955 120.400 0.027 0.000 2.531 79 D HA -0.011 5.007 4.640 0.630 0.000 0.239 79 D C -1.432 174.920 176.300 0.086 0.000 1.144 79 D CA -1.381 52.650 54.000 0.052 0.000 0.869 79 D CB 1.377 42.218 40.800 0.067 0.000 1.160 79 D HN 0.051 nan 8.370 nan 0.000 0.484 80 P HA -0.085 nan 4.420 nan 0.000 0.219 80 P C 1.226 178.596 177.300 0.117 0.000 1.146 80 P CA 0.796 63.947 63.100 0.084 0.000 0.808 80 P CB 0.240 31.979 31.700 0.064 0.000 0.779 81 S N -0.716 115.053 115.700 0.115 0.000 2.442 81 S HA -0.090 4.759 4.470 0.630 0.000 0.236 81 S C 1.383 176.144 174.600 0.268 0.000 1.007 81 S CA 1.028 59.320 58.200 0.153 0.000 0.965 81 S CB -0.766 62.464 63.200 0.049 0.000 0.773 81 S HN 0.228 nan 8.310 nan 0.000 0.504 82 N N 1.271 120.118 118.700 0.244 0.000 2.268 82 N HA 0.285 5.403 4.740 0.630 0.000 0.204 82 N C -0.001 175.638 175.510 0.215 0.000 1.124 82 N CA -0.019 53.211 53.050 0.299 0.000 0.838 82 N CB 0.099 38.798 38.487 0.352 0.000 0.994 82 N HN 0.294 nan 8.380 nan 0.000 0.489 83 A N -0.081 122.843 122.820 0.173 0.000 2.548 83 A HA 0.441 5.139 4.320 0.630 0.000 0.247 83 A C 1.478 179.128 177.584 0.111 0.000 1.067 83 A CA 0.899 53.015 52.037 0.132 0.000 0.757 83 A CB -0.321 18.746 19.000 0.112 0.000 0.996 83 A HN 0.444 nan 8.150 nan 0.000 0.504 84 G N 1.200 110.053 108.800 0.089 0.000 2.313 84 G HA2 -0.247 4.092 3.960 0.630 0.000 0.215 84 G HA3 -0.247 4.092 3.960 0.630 0.000 0.215 84 G C 0.912 175.860 174.900 0.080 0.000 1.023 84 G CA 0.265 45.396 45.100 0.052 0.000 0.626 84 G HN 0.752 nan 8.290 nan 0.000 0.503 85 L N 0.995 122.277 121.223 0.098 0.000 2.362 85 L HA -0.032 4.686 4.340 0.630 0.000 0.219 85 L C 2.902 179.863 176.870 0.151 0.000 1.134 85 L CA 1.691 56.573 54.840 0.070 0.000 0.807 85 L CB -0.365 41.695 42.059 0.003 0.000 0.927 85 L HN 0.349 nan 8.230 nan 0.000 0.447 86 Q N -0.084 119.829 119.800 0.187 0.000 2.197 86 Q HA -0.204 4.514 4.340 0.630 0.000 0.207 86 Q C 1.951 178.057 176.000 0.177 0.000 0.984 86 Q CA 1.420 57.321 55.803 0.164 0.000 0.869 86 Q CB -0.279 28.490 28.738 0.052 0.000 0.906 86 Q HN 0.479 nan 8.270 nan 0.000 0.426 87 N N -0.221 118.569 118.700 0.149 0.000 2.120 87 N HA -0.119 5.000 4.740 0.630 0.000 0.188 87 N C 1.809 177.404 175.510 0.142 0.000 1.024 87 N CA 1.484 54.629 53.050 0.158 0.000 0.852 87 N CB -0.466 38.121 38.487 0.168 0.000 1.003 87 N HN 0.421 nan 8.380 nan 0.000 0.424 88 G N 0.328 109.186 108.800 0.097 0.000 2.418 88 G HA2 -0.237 4.102 3.960 0.630 0.000 0.217 88 G HA3 -0.237 4.102 3.960 0.630 0.000 0.217 88 G C 1.404 176.353 174.900 0.083 0.000 1.158 88 G CA 0.168 45.285 45.100 0.029 0.000 0.771 88 G HN 0.284 nan 8.290 nan 0.000 0.545 89 F N 1.359 121.310 119.950 0.002 0.000 2.134 89 F HA 0.055 4.960 4.527 0.630 0.000 0.299 89 F C 2.691 178.525 175.800 0.056 0.000 1.097 89 F CA 1.679 59.719 58.000 0.067 0.000 1.264 89 F CB 0.059 39.161 39.000 0.170 0.000 1.001 89 F HN 0.033 nan 8.300 nan 0.000 0.479 90 K N -0.594 119.907 120.400 0.168 0.000 2.057 90 K HA -0.187 4.511 4.320 0.630 0.000 0.206 90 K C 1.997 178.533 176.600 -0.106 0.000 1.050 90 K CA 1.660 57.968 56.287 0.036 0.000 0.935 90 K CB -0.612 31.934 32.500 0.076 0.000 0.715 90 K HN 0.313 nan 8.250 nan 0.000 0.439 91 F N 1.763 121.520 119.950 -0.321 0.000 2.091 91 F HA -0.221 4.685 4.527 0.632 0.000 0.299 91 F C 1.592 177.172 175.800 -0.366 0.000 1.103 91 F CA 1.541 59.226 58.000 -0.526 0.000 1.228 91 F CB -0.125 38.384 39.000 -0.817 0.000 0.984 91 F HN -0.091 nan 8.300 nan 0.000 0.477 92 L N -0.168 121.012 121.223 -0.072 0.000 2.478 92 L HA -0.085 4.634 4.340 0.630 0.000 0.223 92 L C 2.205 178.916 176.870 -0.265 0.000 1.140 92 L CA 0.612 55.365 54.840 -0.145 0.000 0.842 92 L CB -0.675 41.344 42.059 -0.066 0.000 0.953 92 L HN 0.216 nan 8.230 nan 0.000 0.452 93 E N 0.770 120.780 120.200 -0.316 0.000 2.049 93 E HA -0.221 4.508 4.350 0.630 0.000 0.198 93 E C -0.595 175.890 176.600 -0.192 0.000 1.007 93 E CA 1.578 57.821 56.400 -0.262 0.000 0.809 93 E CB -0.884 28.686 29.700 -0.217 0.000 0.749 93 E HN 0.449 nan 8.360 nan 0.000 0.450 94 P HA -0.126 nan 4.420 nan 0.000 0.220 94 P C 1.376 178.565 177.300 -0.185 0.000 1.148 94 P CA 1.030 64.005 63.100 -0.208 0.000 0.803 94 P CB -0.066 31.483 31.700 -0.252 0.000 0.782 95 I N -0.331 120.121 120.570 -0.197 0.000 2.202 95 I HA -0.212 4.337 4.170 0.630 0.000 0.242 95 I C 2.571 178.687 176.117 -0.002 0.000 1.091 95 I CA 1.613 62.860 61.300 -0.088 0.000 1.368 95 I CB -1.971 35.941 38.000 -0.146 0.000 1.058 95 I HN 0.126 nan 8.210 nan 0.000 0.410 96 H N 0.811 119.774 119.070 -0.178 0.000 2.423 96 H HA -0.155 4.779 4.556 0.630 0.000 0.297 96 H C 2.370 177.586 175.328 -0.187 0.000 1.075 96 H CA 1.139 57.070 56.048 -0.194 0.000 1.342 96 H CB 0.377 30.008 29.762 -0.218 0.000 1.395 96 H HN 0.197 nan 8.280 nan 0.000 0.530 97 K N 0.819 121.180 120.400 -0.066 0.000 2.097 97 K HA -0.177 4.521 4.320 0.630 0.000 0.205 97 K C 2.087 178.574 176.600 -0.189 0.000 1.050 97 K CA 1.623 57.828 56.287 -0.137 0.000 0.938 97 K CB 0.076 32.493 32.500 -0.137 0.000 0.718 97 K HN 0.333 nan 8.250 nan 0.000 0.442 98 E N -0.712 119.328 120.200 -0.267 0.000 2.152 98 E HA -0.094 4.635 4.350 0.630 0.000 0.192 98 E C -0.385 175.780 176.600 -0.724 0.000 0.983 98 E CA 0.632 56.712 56.400 -0.533 0.000 0.818 98 E CB 0.216 29.476 29.700 -0.734 0.000 0.758 98 E HN 0.227 nan 8.360 nan 0.000 0.467 99 F N 0.545 120.359 119.950 -0.226 0.000 2.471 99 F HA 0.299 5.205 4.527 0.631 0.000 0.318 99 F C -1.908 173.572 175.800 -0.533 0.000 1.308 99 F CA -1.951 55.757 58.000 -0.487 0.000 1.162 99 F CB 1.593 40.148 39.000 -0.743 0.000 1.383 99 F HN -0.010 nan 8.300 nan 0.000 0.552 100 P HA -0.124 nan 4.420 nan 0.000 0.233 100 P C 1.341 178.645 177.300 0.007 0.000 1.167 100 P CA 0.973 64.031 63.100 -0.069 0.000 0.770 100 P CB -0.079 31.583 31.700 -0.063 0.000 0.837 101 W N -0.416 120.946 121.300 0.103 0.000 2.678 101 W HA 0.191 5.230 4.660 0.632 0.000 0.256 101 W C 0.696 177.279 176.519 0.107 0.000 1.280 101 W CA -0.483 56.909 57.345 0.078 0.000 1.345 101 W CB -1.219 28.266 29.460 0.041 0.000 1.118 101 W HN -0.151 nan 8.180 nan 0.000 0.629 102 I N 3.825 124.181 120.570 -0.356 0.000 2.575 102 I HA 0.034 4.583 4.170 0.630 0.000 0.285 102 I C 1.169 177.288 176.117 0.003 0.000 1.085 102 I CA -0.099 61.082 61.300 -0.199 0.000 1.403 102 I CB 1.118 38.749 38.000 -0.615 0.000 1.409 102 I HN -0.103 nan 8.210 nan 0.000 0.557 103 S N 4.292 120.030 115.700 0.064 0.000 2.584 103 S HA 0.112 4.960 4.470 0.630 0.000 0.270 103 S C 0.993 175.479 174.600 -0.189 0.000 1.346 103 S CA -0.318 57.879 58.200 -0.005 0.000 1.018 103 S CB 1.540 64.725 63.200 -0.027 0.000 0.899 103 S HN 0.734 nan 8.310 nan 0.000 0.542 104 S N 1.914 117.483 115.700 -0.218 0.000 2.368 104 S HA 0.011 4.860 4.470 0.630 0.000 0.225 104 S C 2.099 176.179 174.600 -0.868 0.000 1.030 104 S CA 1.217 59.062 58.200 -0.591 0.000 0.999 104 S CB -1.113 61.864 63.200 -0.372 0.000 0.844 104 S HN 0.946 nan 8.310 nan 0.000 0.459 105 G N 1.556 110.132 108.800 -0.375 0.000 2.402 105 G HA2 -0.202 4.136 3.960 0.630 0.000 0.216 105 G HA3 -0.202 4.136 3.960 0.630 0.000 0.216 105 G C 1.033 175.907 174.900 -0.044 0.000 1.162 105 G CA 0.939 45.946 45.100 -0.155 0.000 0.777 105 G HN 0.369 nan 8.290 nan 0.000 0.539 106 D N -0.029 120.367 120.400 -0.006 0.000 2.117 106 D HA -0.083 4.935 4.640 0.630 0.000 0.197 106 D C 2.355 178.739 176.300 0.139 0.000 0.987 106 D CA 0.442 54.614 54.000 0.287 0.000 0.829 106 D CB -0.267 40.781 40.800 0.413 0.000 0.961 106 D HN 0.214 nan 8.370 nan 0.000 0.460 107 L N -0.199 120.907 121.223 -0.195 0.000 2.027 107 L HA -0.062 4.656 4.340 0.630 0.000 0.206 107 L C 2.087 178.896 176.870 -0.101 0.000 1.074 107 L CA 1.484 56.142 54.840 -0.303 0.000 0.745 107 L CB -0.752 40.939 42.059 -0.613 0.000 0.898 107 L HN 0.034 nan 8.230 nan 0.000 0.433 108 F N -0.644 119.285 119.950 -0.035 0.000 2.134 108 F HA -0.237 4.669 4.527 0.632 0.000 0.299 108 F C 2.683 178.501 175.800 0.030 0.000 1.097 108 F CA 0.861 58.857 58.000 -0.007 0.000 1.264 108 F CB -0.702 38.316 39.000 0.030 0.000 1.001 108 F HN 0.297 nan 8.300 nan 0.000 0.479 109 S N 0.553 116.416 115.700 0.272 0.000 2.371 109 S HA -0.164 4.684 4.470 0.630 0.000 0.224 109 S C 1.825 176.529 174.600 0.174 0.000 1.029 109 S CA 0.752 59.114 58.200 0.270 0.000 0.978 109 S CB -0.874 62.552 63.200 0.376 0.000 0.833 109 S HN 0.285 nan 8.310 nan 0.000 0.466 110 L N 2.928 124.137 121.223 -0.024 0.000 2.131 110 L HA 0.195 4.913 4.340 0.630 0.000 0.210 110 L C 2.382 179.102 176.870 -0.249 0.000 1.092 110 L CA 1.715 56.265 54.840 -0.483 0.000 0.759 110 L CB -1.433 40.126 42.059 -0.833 0.000 0.903 110 L HN 0.396 nan 8.230 nan 0.000 0.435 111 G N -0.945 107.784 108.800 -0.119 0.000 2.440 111 G HA2 -0.254 4.084 3.960 0.630 0.000 0.218 111 G HA3 -0.254 4.084 3.960 0.630 0.000 0.218 111 G C 1.508 176.386 174.900 -0.036 0.000 1.154 111 G CA 0.654 45.701 45.100 -0.089 0.000 0.767 111 G HN 0.580 nan 8.290 nan 0.000 0.552 112 G N 0.230 109.087 108.800 0.095 0.000 2.404 112 G HA2 -0.101 4.238 3.960 0.630 0.000 0.215 112 G HA3 -0.101 4.238 3.960 0.630 0.000 0.215 112 G C 1.792 176.856 174.900 0.273 0.000 1.174 112 G CA 1.136 46.389 45.100 0.255 0.000 0.780 112 G HN 0.314 nan 8.290 nan 0.000 0.537 113 V N 1.128 121.196 119.914 0.257 0.000 2.287 113 V HA -0.212 4.287 4.120 0.630 0.000 0.248 113 V C 3.183 179.342 176.094 0.108 0.000 1.053 113 V CA 2.442 64.884 62.300 0.237 0.000 1.027 113 V CB -1.004 30.952 31.823 0.221 0.000 0.646 113 V HN 0.393 nan 8.190 nan 0.000 0.447 114 T N 0.354 114.876 114.554 -0.054 0.000 2.684 114 T HA -0.202 4.526 4.350 0.630 0.000 0.267 114 T C 2.067 176.641 174.700 -0.211 0.000 1.036 114 T CA 1.737 63.647 62.100 -0.316 0.000 1.148 114 T CB -0.512 67.963 68.868 -0.656 0.000 0.863 114 T HN 0.586 nan 8.240 nan 0.000 0.436 115 A N 1.025 123.756 122.820 -0.148 0.000 1.883 115 A HA -0.091 4.607 4.320 0.630 0.000 0.217 115 A C 2.619 180.152 177.584 -0.086 0.000 1.186 115 A CA 1.691 53.662 52.037 -0.111 0.000 0.624 115 A CB -1.156 17.792 19.000 -0.087 0.000 0.822 115 A HN 0.350 nan 8.150 nan 0.000 0.444 116 V N 0.011 119.858 119.914 -0.112 0.000 2.287 116 V HA -0.333 4.165 4.120 0.630 0.000 0.248 116 V C 2.687 178.644 176.094 -0.229 0.000 1.053 116 V CA 2.340 64.477 62.300 -0.273 0.000 1.027 116 V CB -0.952 30.594 31.823 -0.462 0.000 0.646 116 V HN 0.644 nan 8.190 nan 0.000 0.447 117 Q N -0.721 119.025 119.800 -0.089 0.000 2.079 117 Q HA -0.181 4.537 4.340 0.630 0.000 0.200 117 Q C 2.326 178.354 176.000 0.046 0.000 0.974 117 Q CA 1.257 57.063 55.803 0.005 0.000 0.840 117 Q CB -0.178 28.676 28.738 0.194 0.000 0.898 117 Q HN 0.600 nan 8.270 nan 0.000 0.430 118 E N 0.412 120.633 120.200 0.034 0.000 2.204 118 E HA -0.081 4.647 4.350 0.630 0.000 0.194 118 E C 1.425 178.049 176.600 0.040 0.000 0.989 118 E CA 0.822 57.246 56.400 0.040 0.000 0.824 118 E CB -0.004 29.683 29.700 -0.021 0.000 0.756 118 E HN 0.444 nan 8.360 nan 0.000 0.477 119 M N 0.189 119.804 119.600 0.025 0.000 2.654 119 M HA 0.017 4.876 4.480 0.630 0.000 0.217 119 M C -0.245 176.117 176.300 0.103 0.000 1.183 119 M CA 0.361 55.700 55.300 0.065 0.000 0.991 119 M CB -0.036 32.610 32.600 0.076 0.000 1.749 119 M HN -0.033 nan 8.290 nan 0.000 0.475 120 Q N -1.317 118.533 119.800 0.083 0.000 2.493 120 Q HA -0.132 4.587 4.340 0.630 0.000 0.260 120 Q C 0.473 176.569 176.000 0.160 0.000 0.905 120 Q CA 0.276 56.158 55.803 0.132 0.000 1.140 120 Q CB -2.156 26.682 28.738 0.167 0.000 1.435 120 Q HN 0.756 nan 8.270 nan 0.000 0.581 121 G N 0.957 109.701 108.800 -0.093 0.000 2.535 121 G HA2 0.535 4.873 3.960 0.630 0.000 0.282 121 G HA3 0.535 4.873 3.960 0.630 0.000 0.282 121 G C -2.265 172.240 174.900 -0.658 0.000 1.350 121 G CA -0.770 43.945 45.100 -0.642 0.000 1.039 121 G HN 0.030 nan 8.290 nan 0.000 0.509 122 P HA 0.184 nan 4.420 nan 0.000 0.272 122 P C -0.571 176.582 177.300 -0.244 0.000 1.230 122 P CA -0.444 62.364 63.100 -0.486 0.000 0.788 122 P CB 0.735 32.113 31.700 -0.537 0.000 0.949 123 K N 1.607 121.963 120.400 -0.073 0.000 2.436 123 K HA 0.208 4.906 4.320 0.630 0.000 0.275 123 K C 0.153 176.741 176.600 -0.021 0.000 0.999 123 K CA 0.047 56.322 56.287 -0.021 0.000 0.980 123 K CB 0.032 32.536 32.500 0.006 0.000 0.919 123 K HN 0.388 nan 8.250 nan 0.000 0.484 124 I N 4.865 125.460 120.570 0.042 0.000 2.420 124 I HA 0.239 4.787 4.170 0.630 0.000 0.282 124 I C -2.335 173.852 176.117 0.118 0.000 1.019 124 I CA -3.306 58.047 61.300 0.088 0.000 1.130 124 I CB 0.864 38.979 38.000 0.192 0.000 1.262 124 I HN 0.157 nan 8.210 nan 0.000 0.454 125 P HA 0.046 nan 4.420 nan 0.000 0.266 125 P C -1.006 176.351 177.300 0.094 0.000 1.195 125 P CA 0.217 63.323 63.100 0.009 0.000 0.768 125 P CB 0.552 32.203 31.700 -0.082 0.000 0.838 126 W N 4.091 125.318 121.300 -0.122 0.000 2.998 126 W HA 0.472 5.508 4.660 0.626 0.000 0.335 126 W C -1.110 175.295 176.519 -0.190 0.000 1.110 126 W CA -0.620 56.689 57.345 -0.059 0.000 1.230 126 W CB 1.714 31.286 29.460 0.187 0.000 1.405 126 W HN 0.216 nan 8.180 nan 0.000 0.493 127 R N 4.363 124.196 120.500 -1.111 0.000 2.637 127 R HA 0.626 5.345 4.340 0.630 0.000 0.291 127 R C -0.112 175.243 176.300 -1.575 0.000 0.963 127 R CA -0.734 54.669 56.100 -1.161 0.000 0.901 127 R CB 1.313 31.020 30.300 -0.988 0.000 1.160 127 R HN 0.665 nan 8.270 nan 0.000 0.457 128 C N -0.798 117.813 119.300 -1.149 0.000 2.365 128 C HA 0.909 5.748 4.460 0.630 0.000 0.374 128 C C 1.349 176.193 174.990 -0.243 0.000 1.318 128 C CA 0.425 58.955 59.018 -0.812 0.000 2.239 128 C CB 0.535 27.941 27.740 -0.556 0.000 2.144 128 C HN 1.043 nan 8.230 nan 0.000 0.581 129 G N 0.219 108.985 108.800 -0.055 0.000 2.175 129 G HA2 -0.124 4.214 3.960 0.630 0.000 0.182 129 G HA3 -0.124 4.214 3.960 0.630 0.000 0.182 129 G C 0.005 174.843 174.900 -0.103 0.000 1.003 129 G CA -0.213 44.888 45.100 0.002 0.000 0.666 129 G HN 0.973 nan 8.290 nan 0.000 0.506 130 R N -0.166 120.222 120.500 -0.188 0.000 2.623 130 R HA 0.456 5.174 4.340 0.630 0.000 0.271 130 R C -0.111 175.851 176.300 -0.564 0.000 1.043 130 R CA 0.211 56.016 56.100 -0.492 0.000 1.083 130 R CB 1.104 31.226 30.300 -0.297 0.000 0.974 130 R HN 0.103 nan 8.270 nan 0.000 0.436 131 V N 2.774 122.029 119.914 -1.098 0.000 2.588 131 V HA 0.096 4.594 4.120 0.630 0.000 0.304 131 V C -0.576 175.290 176.094 -0.381 0.000 1.042 131 V CA -1.010 60.968 62.300 -0.535 0.000 0.877 131 V CB 1.989 33.629 31.823 -0.304 0.000 0.996 131 V HN 0.673 nan 8.190 nan 0.000 0.425 132 D N 3.097 123.414 120.400 -0.137 0.000 2.458 132 D HA 0.352 5.370 4.640 0.630 0.000 0.243 132 D C 0.524 176.860 176.300 0.060 0.000 1.146 132 D CA 0.496 54.482 54.000 -0.023 0.000 0.877 132 D CB 1.103 41.922 40.800 0.032 0.000 1.176 132 D HN 0.797 nan 8.370 nan 0.000 0.461 133 T N -0.775 113.860 114.554 0.136 0.000 2.932 133 T HA 0.702 5.431 4.350 0.630 0.000 0.289 133 T C -2.697 172.160 174.700 0.262 0.000 1.039 133 T CA -2.210 60.000 62.100 0.183 0.000 1.024 133 T CB 1.834 70.810 68.868 0.180 0.000 1.090 133 T HN -0.066 nan 8.240 nan 0.000 0.496 134 P HA 0.253 nan 4.420 nan 0.000 0.272 134 P C 0.803 177.963 177.300 -0.234 0.000 1.240 134 P CA -0.436 62.702 63.100 0.064 0.000 0.791 134 P CB 0.482 32.185 31.700 0.005 0.000 0.978 135 E N 1.050 120.743 120.200 -0.845 0.000 2.171 135 E HA -0.282 4.446 4.350 0.630 0.000 0.197 135 E C 0.954 177.196 176.600 -0.597 0.000 0.997 135 E CA 1.738 57.217 56.400 -1.535 0.000 0.810 135 E CB -0.206 28.706 29.700 -1.313 0.000 0.738 135 E HN 0.492 nan 8.360 nan 0.000 0.467 136 D N -0.789 119.425 120.400 -0.310 0.000 2.363 136 D HA -0.115 4.904 4.640 0.630 0.000 0.220 136 D C 1.585 177.836 176.300 -0.081 0.000 0.994 136 D CA 1.260 55.164 54.000 -0.161 0.000 0.890 136 D CB -0.546 40.193 40.800 -0.102 0.000 0.906 136 D HN 0.241 nan 8.370 nan 0.000 0.530 137 T N -3.597 110.928 114.554 -0.050 0.000 3.129 137 T HA 0.034 4.762 4.350 0.630 0.000 0.251 137 T C 0.743 175.487 174.700 0.074 0.000 1.117 137 T CA -0.263 61.865 62.100 0.047 0.000 1.034 137 T CB -0.838 68.101 68.868 0.119 0.000 0.968 137 T HN -0.065 nan 8.240 nan 0.000 0.526 138 T N 5.716 120.289 114.554 0.032 0.000 2.867 138 T HA 0.259 4.988 4.350 0.630 0.000 0.297 138 T C -2.312 172.425 174.700 0.061 0.000 0.989 138 T CA -0.828 61.325 62.100 0.088 0.000 1.159 138 T CB 0.722 69.627 68.868 0.061 0.000 0.928 138 T HN 0.331 nan 8.240 nan 0.000 0.538 139 P HA 0.236 nan 4.420 nan 0.000 0.275 139 P C -0.378 176.944 177.300 0.037 0.000 1.228 139 P CA -0.557 62.581 63.100 0.063 0.000 0.786 139 P CB 0.706 32.457 31.700 0.086 0.000 0.927 140 D N 1.312 121.723 120.400 0.019 0.000 2.361 140 D HA 0.068 5.087 4.640 0.630 0.000 0.239 140 D C 0.512 176.821 176.300 0.015 0.000 1.200 140 D CA 0.349 54.354 54.000 0.008 0.000 0.915 140 D CB 0.115 40.917 40.800 0.003 0.000 1.170 140 D HN 0.279 nan 8.370 nan 0.000 0.444 141 N N -0.203 118.503 118.700 0.009 0.000 2.374 141 N HA 0.315 5.434 4.740 0.630 0.000 0.241 141 N C 1.251 176.776 175.510 0.024 0.000 1.262 141 N CA 0.835 53.894 53.050 0.015 0.000 0.880 141 N CB 0.645 39.139 38.487 0.013 0.000 1.105 141 N HN 0.615 nan 8.380 nan 0.000 0.438 142 G N 0.286 109.104 108.800 0.031 0.000 2.184 142 G HA2 -0.250 4.089 3.960 0.630 0.000 0.206 142 G HA3 -0.250 4.089 3.960 0.630 0.000 0.206 142 G C 0.823 175.770 174.900 0.079 0.000 0.995 142 G CA -0.124 45.007 45.100 0.052 0.000 0.651 142 G HN 0.555 nan 8.290 nan 0.000 0.511 143 R N -0.480 120.058 120.500 0.062 0.000 2.297 143 R HA 0.387 5.105 4.340 0.630 0.000 0.197 143 R C 1.022 177.426 176.300 0.174 0.000 0.943 143 R CA 0.105 56.264 56.100 0.098 0.000 1.038 143 R CB 0.170 30.496 30.300 0.044 0.000 0.957 143 R HN 0.398 nan 8.270 nan 0.000 0.484 144 L N 2.263 123.509 121.223 0.038 0.000 2.399 144 L HA 0.362 5.080 4.340 0.630 0.000 0.265 144 L C -1.955 174.851 176.870 -0.106 0.000 1.089 144 L CA -2.278 52.508 54.840 -0.090 0.000 0.802 144 L CB 0.596 42.392 42.059 -0.438 0.000 1.180 144 L HN -0.129 nan 8.230 nan 0.000 0.454 145 P HA 0.172 nan 4.420 nan 0.000 0.281 145 P C -1.429 175.836 177.300 -0.058 0.000 1.249 145 P CA -0.584 62.193 63.100 -0.539 0.000 0.810 145 P CB 0.954 31.985 31.700 -1.116 0.000 1.008 146 D N 0.627 121.063 120.400 0.061 0.000 2.304 146 D HA 0.275 5.293 4.640 0.630 0.000 0.247 146 D C 0.934 177.246 176.300 0.020 0.000 1.089 146 D CA -0.267 53.739 54.000 0.009 0.000 0.910 146 D CB 1.080 41.793 40.800 -0.145 0.000 1.199 146 D HN 0.352 nan 8.370 nan 0.000 0.426 147 A N 1.373 124.229 122.820 0.061 0.000 2.267 147 A HA -0.038 4.661 4.320 0.630 0.000 0.213 147 A C 1.070 178.665 177.584 0.018 0.000 1.192 147 A CA 0.067 52.118 52.037 0.023 0.000 0.851 147 A CB 0.084 18.989 19.000 -0.159 0.000 0.881 147 A HN 0.505 nan 8.150 nan 0.000 0.494 148 D N -0.415 120.012 120.400 0.045 0.000 2.339 148 D HA 0.039 5.058 4.640 0.630 0.000 0.217 148 D C 0.422 176.733 176.300 0.018 0.000 1.050 148 D CA 0.205 54.255 54.000 0.083 0.000 0.856 148 D CB 0.163 41.026 40.800 0.106 0.000 0.922 148 D HN 0.117 nan 8.370 nan 0.000 0.518 149 K N 0.802 121.166 120.400 -0.061 0.000 2.419 149 K HA 0.287 4.985 4.320 0.630 0.000 0.246 149 K C 0.351 177.029 176.600 0.131 0.000 1.037 149 K CA -0.490 55.753 56.287 -0.072 0.000 0.982 149 K CB 0.639 32.837 32.500 -0.504 0.000 1.283 149 K HN 0.141 nan 8.250 nan 0.000 0.500 150 D N -1.722 118.799 120.400 0.202 0.000 2.569 150 D HA 0.327 5.345 4.640 0.630 0.000 0.266 150 D C 0.707 177.202 176.300 0.325 0.000 1.164 150 D CA -0.592 53.557 54.000 0.249 0.000 1.071 150 D CB 0.288 41.210 40.800 0.204 0.000 1.183 150 D HN 0.314 nan 8.370 nan 0.000 0.613 151 A N -0.189 122.809 122.820 0.295 0.000 1.933 151 A HA -0.172 4.526 4.320 0.630 0.000 0.218 151 A C 1.568 179.347 177.584 0.325 0.000 1.175 151 A CA 1.712 53.971 52.037 0.369 0.000 0.628 151 A CB -0.786 18.399 19.000 0.309 0.000 0.814 151 A HN 0.575 nan 8.150 nan 0.000 0.444 152 D N -1.441 119.101 120.400 0.235 0.000 2.117 152 D HA -0.180 4.838 4.640 0.630 0.000 0.197 152 D C 1.658 178.108 176.300 0.251 0.000 0.987 152 D CA 1.644 55.761 54.000 0.195 0.000 0.829 152 D CB -0.535 40.357 40.800 0.154 0.000 0.961 152 D HN 0.639 nan 8.370 nan 0.000 0.460 153 Y N 1.963 122.375 120.300 0.187 0.000 2.128 153 Y HA -0.262 4.658 4.550 0.617 0.000 0.284 153 Y C 2.248 178.317 175.900 0.282 0.000 1.154 153 Y CA 1.295 59.516 58.100 0.202 0.000 1.149 153 Y CB -0.416 38.144 38.460 0.167 0.000 0.976 153 Y HN -0.211 nan 8.280 nan 0.000 0.505 154 V N 1.029 121.137 119.914 0.323 0.000 2.295 154 V HA -0.321 4.177 4.120 0.630 0.000 0.246 154 V C 2.569 178.924 176.094 0.434 0.000 1.049 154 V CA 2.355 64.872 62.300 0.362 0.000 1.024 154 V CB -0.793 31.300 31.823 0.449 0.000 0.648 154 V HN 0.392 nan 8.190 nan 0.000 0.447 155 R N -0.227 120.517 120.500 0.406 0.000 2.083 155 R HA -0.179 4.540 4.340 0.630 0.000 0.237 155 R C 2.383 178.822 176.300 0.232 0.000 1.137 155 R CA 2.273 58.583 56.100 0.349 0.000 0.951 155 R CB -0.575 29.845 30.300 0.200 0.000 0.851 155 R HN 0.521 nan 8.270 nan 0.000 0.434 156 T N 0.749 115.389 114.554 0.142 0.000 2.746 156 T HA -0.160 4.568 4.350 0.630 0.000 0.267 156 T C 1.319 176.022 174.700 0.006 0.000 1.039 156 T CA 1.455 63.594 62.100 0.066 0.000 1.142 156 T CB -0.407 68.491 68.868 0.051 0.000 0.866 156 T HN 0.285 nan 8.240 nan 0.000 0.444 157 F N 1.241 121.065 119.950 -0.210 0.000 2.065 157 F HA -0.142 4.334 4.527 -0.085 0.000 0.298 157 F C 1.678 177.377 175.800 -0.168 0.000 1.112 157 F CA 1.411 59.218 58.000 -0.322 0.000 1.212 157 F CB -0.588 38.044 39.000 -0.614 0.000 0.975 157 F HN 0.142 nan 8.300 nan 0.000 0.476 158 F N 0.519 120.485 119.950 0.027 0.000 2.604 158 F HA -0.086 4.893 4.527 0.753 0.000 0.298 158 F C 2.323 178.095 175.800 -0.046 0.000 1.131 158 F CA 0.749 58.752 58.000 0.005 0.000 1.457 158 F CB -0.495 38.612 39.000 0.178 0.000 1.095 158 F HN 0.085 nan 8.300 nan 0.000 0.574 159 Q N -0.144 119.709 119.800 0.089 0.000 2.181 159 Q HA -0.228 4.490 4.340 0.630 0.000 0.205 159 Q C 2.262 178.225 176.000 -0.061 0.000 0.980 159 Q CA 1.097 56.924 55.803 0.039 0.000 0.862 159 Q CB -0.240 28.519 28.738 0.035 0.000 0.905 159 Q HN 0.365 nan 8.270 nan 0.000 0.429 160 R N 0.535 120.931 120.500 -0.174 0.000 2.189 160 R HA -0.057 4.661 4.340 0.630 0.000 0.223 160 R C 1.243 177.386 176.300 -0.262 0.000 1.092 160 R CA 0.727 56.669 56.100 -0.264 0.000 0.989 160 R CB 0.124 30.223 30.300 -0.335 0.000 0.876 160 R HN 0.256 nan 8.270 nan 0.000 0.457 161 L N 0.735 121.927 121.223 -0.053 0.000 2.653 161 L HA 0.099 4.817 4.340 0.630 0.000 0.231 161 L C 0.140 177.255 176.870 0.408 0.000 1.153 161 L CA -0.217 54.800 54.840 0.294 0.000 0.933 161 L CB -0.071 42.211 42.059 0.371 0.000 1.175 161 L HN 0.228 nan 8.230 nan 0.000 0.473 162 N N 1.038 119.863 118.700 0.209 0.000 2.735 162 N HA -0.195 4.923 4.740 0.630 0.000 0.248 162 N C -0.465 175.149 175.510 0.173 0.000 1.083 162 N CA 0.776 53.937 53.050 0.184 0.000 0.703 162 N CB -0.370 38.276 38.487 0.263 0.000 1.005 162 N HN 0.105 nan 8.380 nan 0.000 0.550 163 M N 0.624 120.339 119.600 0.191 0.000 2.268 163 M HA 0.329 5.188 4.480 0.630 0.000 0.344 163 M C 0.721 177.094 176.300 0.121 0.000 1.106 163 M CA -0.706 54.680 55.300 0.143 0.000 1.010 163 M CB 1.331 34.012 32.600 0.135 0.000 1.649 163 M HN 0.315 nan 8.290 nan 0.000 0.443 164 N N 1.217 119.966 118.700 0.081 0.000 2.476 164 N HA 0.243 5.361 4.740 0.630 0.000 0.287 164 N C 0.110 175.685 175.510 0.108 0.000 1.262 164 N CA -0.377 52.726 53.050 0.088 0.000 0.980 164 N CB 0.413 38.940 38.487 0.066 0.000 1.163 164 N HN 0.352 nan 8.380 nan 0.000 0.592 165 D N -0.646 119.836 120.400 0.138 0.000 2.117 165 D HA -0.154 4.864 4.640 0.630 0.000 0.197 165 D C 1.725 178.139 176.300 0.189 0.000 0.987 165 D CA 1.294 55.446 54.000 0.254 0.000 0.829 165 D CB -0.168 40.748 40.800 0.195 0.000 0.961 165 D HN 0.636 nan 8.370 nan 0.000 0.460 166 R N 0.835 121.407 120.500 0.120 0.000 2.081 166 R HA -0.113 4.605 4.340 0.630 0.000 0.235 166 R C 1.942 178.324 176.300 0.138 0.000 1.131 166 R CA 1.259 57.435 56.100 0.126 0.000 0.960 166 R CB 0.047 30.408 30.300 0.102 0.000 0.856 166 R HN 0.181 nan 8.270 nan 0.000 0.436 167 E N -0.350 119.889 120.200 0.064 0.000 2.077 167 E HA -0.171 4.558 4.350 0.630 0.000 0.193 167 E C 1.987 178.515 176.600 -0.119 0.000 0.989 167 E CA 1.549 57.946 56.400 -0.006 0.000 0.800 167 E CB 0.047 29.736 29.700 -0.018 0.000 0.746 167 E HN 0.153 nan 8.360 nan 0.000 0.452 168 V N 0.747 120.544 119.914 -0.194 0.000 2.295 168 V HA -0.234 4.265 4.120 0.630 0.000 0.246 168 V C 2.300 178.206 176.094 -0.314 0.000 1.049 168 V CA 1.390 63.398 62.300 -0.487 0.000 1.024 168 V CB -0.303 31.269 31.823 -0.418 0.000 0.648 168 V HN 0.143 nan 8.190 nan 0.000 0.447 169 V N 0.176 120.032 119.914 -0.097 0.000 2.427 169 V HA -0.226 4.272 4.120 0.630 0.000 0.248 169 V C 2.664 178.944 176.094 0.309 0.000 1.051 169 V CA 1.866 64.208 62.300 0.069 0.000 1.048 169 V CB -1.097 30.816 31.823 0.149 0.000 0.666 169 V HN 0.554 nan 8.190 nan 0.000 0.456 170 A N -0.073 122.955 122.820 0.345 0.000 1.858 170 A HA -0.171 4.528 4.320 0.630 0.000 0.216 170 A C 2.218 180.013 177.584 0.352 0.000 1.190 170 A CA 1.856 54.108 52.037 0.358 0.000 0.617 170 A CB -0.599 18.518 19.000 0.194 0.000 0.827 170 A HN 0.484 nan 8.150 nan 0.000 0.443 171 L N -1.861 119.385 121.223 0.038 0.000 2.083 171 L HA -0.189 4.529 4.340 0.630 0.000 0.209 171 L C 2.703 179.466 176.870 -0.179 0.000 1.083 171 L CA 1.616 56.414 54.840 -0.070 0.000 0.752 171 L CB -0.365 41.498 42.059 -0.327 0.000 0.899 171 L HN 0.407 nan 8.230 nan 0.000 0.433 172 M N -0.043 119.347 119.600 -0.350 0.000 2.446 172 M HA -0.071 4.787 4.480 0.630 0.000 0.263 172 M C 1.879 177.512 176.300 -1.112 0.000 1.066 172 M CA 1.166 56.027 55.300 -0.731 0.000 1.087 172 M CB -0.494 31.776 32.600 -0.550 0.000 1.406 172 M HN 0.168 nan 8.290 nan 0.000 0.459 173 G N -0.994 107.456 108.800 -0.584 0.000 2.559 173 G HA2 -0.066 4.272 3.960 0.630 0.000 0.216 173 G HA3 -0.066 4.272 3.960 0.630 0.000 0.216 173 G C 1.493 175.934 174.900 -0.766 0.000 1.126 173 G CA 0.688 45.299 45.100 -0.814 0.000 0.778 173 G HN 0.600 nan 8.290 nan 0.000 0.543 174 A N 0.195 122.670 122.820 -0.574 0.000 2.125 174 A HA -0.061 4.637 4.320 0.630 0.000 0.219 174 A C 1.795 178.998 177.584 -0.635 0.000 1.156 174 A CA 1.147 52.875 52.037 -0.515 0.000 0.671 174 A CB -0.706 18.160 19.000 -0.223 0.000 0.794 174 A HN 0.620 nan 8.150 nan 0.000 0.459 175 H N -0.889 117.500 119.070 -1.135 0.000 2.567 175 H HA 0.092 5.024 4.556 0.626 0.000 0.276 175 H C 2.238 176.953 175.328 -1.021 0.000 1.016 175 H CA 0.040 55.134 56.048 -1.591 0.000 1.186 175 H CB 0.114 28.498 29.762 -2.297 0.000 1.351 175 H HN 0.612 nan 8.280 nan 0.000 0.605 176 A N 1.046 123.524 122.820 -0.570 0.000 1.986 176 A HA -0.116 4.582 4.320 0.630 0.000 0.220 176 A C 1.087 178.578 177.584 -0.155 0.000 1.171 176 A CA 0.803 52.665 52.037 -0.293 0.000 0.640 176 A CB -0.340 18.420 19.000 -0.400 0.000 0.811 176 A HN 0.238 nan 8.150 nan 0.000 0.451 177 L N -1.110 119.994 121.223 -0.198 0.000 2.326 177 L HA 0.546 5.264 4.340 0.630 0.000 0.278 177 L C 1.261 178.203 176.870 0.119 0.000 1.092 177 L CA 0.184 55.000 54.840 -0.040 0.000 0.810 177 L CB 0.717 42.749 42.059 -0.046 0.000 1.153 177 L HN 0.622 nan 8.230 nan 0.000 0.439 178 G N 2.890 111.784 108.800 0.157 0.000 2.539 178 G HA2 -0.226 4.112 3.960 0.630 0.000 0.256 178 G HA3 -0.226 4.112 3.960 0.630 0.000 0.256 178 G C -0.705 174.346 174.900 0.252 0.000 1.233 178 G CA 0.280 45.506 45.100 0.210 0.000 0.936 178 G HN 0.982 nan 8.290 nan 0.000 0.571 179 K N -1.841 118.669 120.400 0.184 0.000 2.658 179 K HA 0.650 5.348 4.320 0.630 0.000 0.293 179 K C -0.368 176.006 176.600 -0.377 0.000 1.026 179 K CA -0.226 55.945 56.287 -0.194 0.000 0.871 179 K CB 0.959 33.253 32.500 -0.344 0.000 1.524 179 K HN 1.403 nan 8.250 nan 0.000 0.400 180 T N -0.632 113.552 114.554 -0.617 0.000 2.910 180 T HA 0.388 5.117 4.350 0.630 0.000 0.293 180 T C -0.657 173.808 174.700 -0.392 0.000 1.015 180 T CA -0.360 61.534 62.100 -0.343 0.000 1.094 180 T CB 0.280 68.983 68.868 -0.274 0.000 0.968 180 T HN 0.599 nan 8.240 nan 0.000 0.521 181 H N 1.773 120.844 119.070 0.002 0.000 2.727 181 H HA 0.410 5.342 4.556 0.628 0.000 0.330 181 H C 0.623 175.959 175.328 0.013 0.000 0.986 181 H CA -0.922 55.126 56.048 -0.000 0.000 1.251 181 H CB 1.463 31.229 29.762 0.008 0.000 1.493 181 H HN 0.451 nan 8.280 nan 0.000 0.515 182 L N 2.238 123.508 121.223 0.078 0.000 2.043 182 L HA -0.209 4.510 4.340 0.630 0.000 0.212 182 L C 1.739 178.629 176.870 0.033 0.000 1.075 182 L CA 1.855 56.710 54.840 0.025 0.000 0.752 182 L CB -0.151 41.902 42.059 -0.010 0.000 0.891 182 L HN 0.546 nan 8.230 nan 0.000 0.432 183 K N -0.889 119.544 120.400 0.054 0.000 2.288 183 K HA -0.053 4.645 4.320 0.630 0.000 0.201 183 K C 1.678 178.312 176.600 0.057 0.000 1.048 183 K CA 0.842 57.154 56.287 0.041 0.000 0.956 183 K CB -0.309 32.211 32.500 0.033 0.000 0.746 183 K HN 0.421 nan 8.250 nan 0.000 0.461 184 N N 0.671 119.428 118.700 0.094 0.000 2.197 184 N HA -0.074 5.045 4.740 0.630 0.000 0.184 184 N C 1.685 177.270 175.510 0.125 0.000 1.030 184 N CA 1.638 54.752 53.050 0.107 0.000 0.851 184 N CB 0.111 38.681 38.487 0.137 0.000 1.003 184 N HN 0.211 nan 8.380 nan 0.000 0.430 185 S N -2.508 113.281 115.700 0.149 0.000 2.687 185 S HA 0.383 5.231 4.470 0.630 0.000 0.247 185 S C 1.193 175.849 174.600 0.094 0.000 1.050 185 S CA 0.404 58.721 58.200 0.194 0.000 1.063 185 S CB 1.035 64.428 63.200 0.321 0.000 1.039 185 S HN 0.365 nan 8.310 nan 0.000 0.580 186 G N 0.423 109.202 108.800 -0.035 0.000 2.143 186 G HA2 -0.232 4.107 3.960 0.630 0.000 0.249 186 G HA3 -0.232 4.107 3.960 0.630 0.000 0.249 186 G C -0.298 174.258 174.900 -0.574 0.000 0.981 186 G CA 0.372 45.306 45.100 -0.278 0.000 0.665 186 G HN 0.569 nan 8.290 nan 0.000 0.528 187 Y N -0.620 119.673 120.300 -0.011 0.000 2.536 187 Y HA 0.717 5.644 4.550 0.628 0.000 0.347 187 Y C 0.084 175.926 175.900 -0.097 0.000 1.000 187 Y CA -1.213 56.853 58.100 -0.056 0.000 1.051 187 Y CB 2.211 40.633 38.460 -0.063 0.000 1.259 187 Y HN 0.156 nan 8.280 nan 0.000 0.468 188 E N 0.841 121.052 120.200 0.018 0.000 2.275 188 E HA 0.710 5.439 4.350 0.630 0.000 0.270 188 E C -0.602 175.915 176.600 -0.139 0.000 0.882 188 E CA -0.288 56.067 56.400 -0.075 0.000 0.758 188 E CB 1.867 31.535 29.700 -0.053 0.000 1.195 188 E HN 0.928 nan 8.360 nan 0.000 0.419 189 G N 3.579 112.242 108.800 -0.227 0.000 2.406 189 G HA2 0.084 4.422 3.960 0.630 0.000 0.680 189 G HA3 0.084 4.422 3.960 0.630 0.000 0.680 189 G C -3.038 171.653 174.900 -0.349 0.000 1.338 189 G CA -0.503 44.469 45.100 -0.213 0.000 0.941 189 G HN 0.502 nan 8.290 nan 0.000 0.633 190 P HA 0.297 nan 4.420 nan 0.000 0.278 190 P C 0.392 177.633 177.300 -0.098 0.000 1.258 190 P CA -0.564 62.452 63.100 -0.141 0.000 0.811 190 P CB 1.018 32.731 31.700 0.021 0.000 1.063 191 W N 0.519 121.816 121.300 -0.003 0.000 3.003 191 W HA 0.229 5.264 4.660 0.625 0.000 0.257 191 W C 0.891 177.302 176.519 -0.180 0.000 1.308 191 W CA 0.576 57.940 57.345 0.032 0.000 1.529 191 W CB 0.523 30.034 29.460 0.085 0.000 1.115 191 W HN 0.510 nan 8.180 nan 0.000 0.659 192 G N -1.653 107.045 108.800 -0.169 0.000 2.489 192 G HA2 0.395 4.733 3.960 0.630 0.000 0.305 192 G HA3 0.395 4.733 3.960 0.630 0.000 0.305 192 G C -0.006 174.620 174.900 -0.455 0.000 1.311 192 G CA -0.035 44.613 45.100 -0.753 0.000 0.813 192 G HN -0.134 nan 8.290 nan 0.000 0.480 193 A N -0.797 121.805 122.820 -0.363 0.000 1.911 193 A HA 0.602 5.300 4.320 0.630 0.000 0.212 193 A C 1.799 179.383 177.584 0.001 0.000 1.189 193 A CA 1.921 53.947 52.037 -0.018 0.000 0.639 193 A CB -0.448 18.611 19.000 0.099 0.000 0.839 193 A HN 1.948 nan 8.150 nan 0.000 0.449 194 A N 1.637 124.443 122.820 -0.024 0.000 3.015 194 A HA 0.385 5.083 4.320 0.630 0.000 0.293 194 A C 0.408 177.994 177.584 0.004 0.000 1.572 194 A CA -0.154 51.887 52.037 0.007 0.000 1.274 194 A CB -0.777 18.229 19.000 0.010 0.000 1.156 194 A HN 0.546 nan 8.150 nan 0.000 0.562 195 N N 0.592 119.307 118.700 0.026 0.000 2.251 195 N HA -0.036 5.083 4.740 0.630 0.000 0.217 195 N C -0.100 175.440 175.510 0.050 0.000 1.124 195 N CA 0.097 53.169 53.050 0.036 0.000 0.843 195 N CB -0.038 38.490 38.487 0.069 0.000 1.024 195 N HN 0.517 nan 8.380 nan 0.000 0.501 196 N N -0.866 117.866 118.700 0.054 0.000 2.299 196 N HA 0.132 5.251 4.740 0.630 0.000 0.246 196 N C -1.243 174.309 175.510 0.071 0.000 1.254 196 N CA -0.516 52.573 53.050 0.065 0.000 0.879 196 N CB 0.400 38.933 38.487 0.077 0.000 1.214 196 N HN -0.084 nan 8.380 nan 0.000 0.510 197 V N 1.203 121.157 119.914 0.066 0.000 2.487 197 V HA 0.411 4.909 4.120 0.630 0.000 0.298 197 V C -0.875 175.281 176.094 0.103 0.000 1.028 197 V CA -1.003 61.355 62.300 0.096 0.000 0.860 197 V CB 1.567 33.443 31.823 0.088 0.000 0.991 197 V HN 0.198 nan 8.190 nan 0.000 0.427 198 F N 5.474 125.426 119.950 0.003 0.000 2.466 198 F HA 0.536 5.439 4.527 0.627 0.000 0.363 198 F C 0.726 176.617 175.800 0.152 0.000 1.109 198 F CA 0.517 58.495 58.000 -0.037 0.000 1.161 198 F CB 0.533 39.405 39.000 -0.214 0.000 1.117 198 F HN 0.725 nan 8.300 nan 0.000 0.539 199 T N 1.419 115.935 114.554 -0.062 0.000 0.000 199 T HA 0.241 4.969 4.350 0.630 0.000 0.000 199 T C 0.066 174.815 174.700 0.083 0.000 0.000 199 T CA -0.870 61.339 62.100 0.182 0.000 0.000 199 T CB 1.279 70.201 68.868 0.091 0.000 0.000 199 T HN 0.467 nan 8.240 nan 0.000 0.000 200 N N -0.357 118.428 118.700 0.143 0.000 2.322 200 N HA 0.044 5.162 4.740 0.630 0.000 0.216 200 N C 0.853 176.345 175.510 -0.030 0.000 1.144 200 N CA -0.080 52.957 53.050 -0.022 0.000 0.830 200 N CB -0.040 38.494 38.487 0.078 0.000 1.034 200 N HN 0.845 nan 8.380 nan 0.000 0.484 201 E N 0.051 120.209 120.200 -0.071 0.000 2.171 201 E HA -0.232 4.496 4.350 0.630 0.000 0.197 201 E C 1.050 177.597 176.600 -0.088 0.000 0.997 201 E CA 0.843 57.206 56.400 -0.062 0.000 0.810 201 E CB -0.189 29.464 29.700 -0.077 0.000 0.738 201 E HN 0.425 nan 8.360 nan 0.000 0.467 202 F N 0.235 119.944 119.950 -0.402 0.000 2.126 202 F HA -0.261 4.646 4.527 0.634 0.000 0.299 202 F C 1.525 177.078 175.800 -0.412 0.000 1.096 202 F CA 1.735 59.443 58.000 -0.486 0.000 1.255 202 F CB -0.434 38.066 39.000 -0.833 0.000 0.997 202 F HN 0.084 nan 8.300 nan 0.000 0.479 203 Y N -0.116 120.090 120.300 -0.157 0.000 2.263 203 Y HA -0.128 4.799 4.550 0.629 0.000 0.292 203 Y C 2.348 178.160 175.900 -0.147 0.000 1.130 203 Y CA 1.147 59.122 58.100 -0.207 0.000 1.179 203 Y CB -0.741 37.651 38.460 -0.114 0.000 0.998 203 Y HN 0.041 nan 8.280 nan 0.000 0.532 204 L N -0.089 121.167 121.223 0.055 0.000 2.046 204 L HA -0.240 4.478 4.340 0.630 0.000 0.208 204 L C 1.988 178.885 176.870 0.045 0.000 1.077 204 L CA 1.203 56.068 54.840 0.042 0.000 0.747 204 L CB -0.503 41.578 42.059 0.037 0.000 0.896 204 L HN 0.250 nan 8.230 nan 0.000 0.432 205 N N 0.004 118.726 118.700 0.038 0.000 2.142 205 N HA -0.130 4.988 4.740 0.630 0.000 0.186 205 N C 1.947 177.664 175.510 0.345 0.000 1.023 205 N CA 1.082 54.238 53.050 0.177 0.000 0.852 205 N CB -0.372 38.242 38.487 0.211 0.000 0.998 205 N HN 0.233 nan 8.380 nan 0.000 0.424 206 L N 0.440 121.704 121.223 0.068 0.000 2.043 206 L HA -0.147 4.571 4.340 0.630 0.000 0.212 206 L C 1.960 178.941 176.870 0.185 0.000 1.075 206 L CA 1.058 55.906 54.840 0.013 0.000 0.752 206 L CB -0.264 41.547 42.059 -0.412 0.000 0.891 206 L HN 0.165 nan 8.230 nan 0.000 0.432 207 L N -1.429 119.841 121.223 0.078 0.000 2.270 207 L HA -0.066 4.652 4.340 0.630 0.000 0.210 207 L C 1.536 178.453 176.870 0.077 0.000 1.104 207 L CA 1.019 55.891 54.840 0.054 0.000 0.804 207 L CB -0.210 41.857 42.059 0.014 0.000 0.937 207 L HN 0.334 nan 8.230 nan 0.000 0.450 208 N N -1.814 116.934 118.700 0.080 0.000 2.273 208 N HA 0.042 5.160 4.740 0.630 0.000 0.192 208 N C 0.141 175.616 175.510 -0.058 0.000 1.132 208 N CA -0.265 52.795 53.050 0.017 0.000 0.887 208 N CB 0.829 39.325 38.487 0.015 0.000 1.048 208 N HN 0.118 nan 8.380 nan 0.000 0.490 209 E N 1.304 121.420 120.200 -0.140 0.000 2.374 209 E HA 0.023 4.751 4.350 0.630 0.000 0.260 209 E C -0.829 175.422 176.600 -0.581 0.000 1.101 209 E CA 0.085 56.188 56.400 -0.495 0.000 0.907 209 E CB 0.829 29.919 29.700 -1.017 0.000 1.014 209 E HN 0.056 nan 8.360 nan 0.000 0.427 210 D N 1.565 121.666 120.400 -0.497 0.000 2.380 210 D HA 0.128 5.147 4.640 0.630 0.000 0.230 210 D C -1.129 175.012 176.300 -0.265 0.000 1.154 210 D CA -0.354 53.490 54.000 -0.261 0.000 0.859 210 D CB 0.049 40.770 40.800 -0.131 0.000 1.045 210 D HN 0.175 nan 8.370 nan 0.000 0.495 211 W N 3.898 125.301 121.300 0.172 0.000 2.365 211 W HA 0.402 5.445 4.660 0.637 0.000 0.316 211 W C 0.641 177.353 176.519 0.321 0.000 1.164 211 W CA -0.884 56.621 57.345 0.267 0.000 1.204 211 W CB 1.127 30.791 29.460 0.339 0.000 1.213 211 W HN -0.047 nan 8.180 nan 0.000 0.539 212 K N 3.343 124.046 120.400 0.505 0.000 2.345 212 K HA 0.379 5.077 4.320 0.630 0.000 0.255 212 K C -1.240 175.374 176.600 0.024 0.000 0.934 212 K CA -1.417 55.027 56.287 0.262 0.000 0.801 212 K CB 2.459 35.025 32.500 0.109 0.000 1.137 212 K HN 0.287 nan 8.250 nan 0.000 0.424 213 L N 3.393 124.372 121.223 -0.407 0.000 2.385 213 L HA 0.148 4.866 4.340 0.630 0.000 0.281 213 L C -0.420 176.186 176.870 -0.440 0.000 1.106 213 L CA 0.884 55.163 54.840 -0.934 0.000 0.856 213 L CB -0.058 41.183 42.059 -1.365 0.000 1.186 213 L HN 0.573 nan 8.230 nan 0.000 0.453 214 E N 4.224 124.225 120.200 -0.331 0.000 2.378 214 E HA 0.486 5.214 4.350 0.630 0.000 0.265 214 E C -1.029 175.473 176.600 -0.162 0.000 0.932 214 E CA -1.205 55.086 56.400 -0.182 0.000 0.795 214 E CB 1.767 31.408 29.700 -0.098 0.000 1.296 214 E HN 0.355 nan 8.360 nan 0.000 0.438 215 K N 1.947 122.278 120.400 -0.115 0.000 2.185 215 K HA 0.247 4.946 4.320 0.630 0.000 0.269 215 K C -0.324 176.229 176.600 -0.077 0.000 0.987 215 K CA -0.507 55.722 56.287 -0.097 0.000 0.865 215 K CB 1.110 33.558 32.500 -0.087 0.000 1.090 215 K HN 0.514 nan 8.250 nan 0.000 0.450 216 N N 0.404 119.056 118.700 -0.080 0.000 2.495 216 N HA 0.067 5.185 4.740 0.630 0.000 0.294 216 N C 0.221 175.686 175.510 -0.075 0.000 1.276 216 N CA -0.301 52.707 53.050 -0.070 0.000 0.973 216 N CB 0.277 38.722 38.487 -0.070 0.000 1.143 216 N HN 0.267 nan 8.380 nan 0.000 0.589 217 D N -1.468 118.892 120.400 -0.067 0.000 2.371 217 D HA 0.051 5.070 4.640 0.630 0.000 0.221 217 D C 0.733 176.990 176.300 -0.071 0.000 0.986 217 D CA 0.697 54.661 54.000 -0.060 0.000 0.899 217 D CB -0.342 40.430 40.800 -0.047 0.000 0.902 217 D HN 0.658 nan 8.370 nan 0.000 0.530 218 A N 0.294 123.054 122.820 -0.100 0.000 2.345 218 A HA 0.113 4.811 4.320 0.630 0.000 0.225 218 A C 0.910 178.425 177.584 -0.115 0.000 1.243 218 A CA -0.018 51.953 52.037 -0.111 0.000 0.875 218 A CB -0.218 18.691 19.000 -0.151 0.000 0.929 218 A HN 0.104 nan 8.150 nan 0.000 0.502 219 N N -0.241 118.398 118.700 -0.102 0.000 2.782 219 N HA -0.133 4.985 4.740 0.630 0.000 0.251 219 N C -1.099 174.345 175.510 -0.110 0.000 1.101 219 N CA 0.940 53.935 53.050 -0.091 0.000 0.764 219 N CB -1.684 36.760 38.487 -0.072 0.000 1.122 219 N HN 0.565 nan 8.380 nan 0.000 0.561 220 N N 0.936 119.543 118.700 -0.155 0.000 2.417 220 N HA 0.214 5.332 4.740 0.630 0.000 0.300 220 N C -0.485 174.968 175.510 -0.096 0.000 1.102 220 N CA -0.316 52.636 53.050 -0.163 0.000 0.886 220 N CB 0.890 39.151 38.487 -0.376 0.000 1.203 220 N HN 0.229 nan 8.380 nan 0.000 0.496 221 E N 1.047 121.219 120.200 -0.047 0.000 2.338 221 E HA 0.099 4.827 4.350 0.630 0.000 0.272 221 E C -0.180 176.427 176.600 0.012 0.000 1.029 221 E CA -0.090 56.262 56.400 -0.080 0.000 0.872 221 E CB 0.764 30.381 29.700 -0.139 0.000 1.015 221 E HN 0.496 nan 8.360 nan 0.000 0.417 222 Q N 1.711 121.459 119.800 -0.087 0.000 2.482 222 Q HA 0.379 5.097 4.340 0.630 0.000 0.286 222 Q C -1.544 174.349 176.000 -0.178 0.000 1.007 222 Q CA -1.027 54.764 55.803 -0.020 0.000 0.801 222 Q CB 0.899 29.726 28.738 0.148 0.000 1.455 222 Q HN 0.383 nan 8.270 nan 0.000 0.398 223 W N 1.524 122.788 121.300 -0.061 0.000 2.338 223 W HA 0.445 5.480 4.660 0.626 0.000 0.307 223 W C -0.703 175.935 176.519 0.199 0.000 1.167 223 W CA 0.206 57.527 57.345 -0.039 0.000 1.208 223 W CB 1.173 30.457 29.460 -0.295 0.000 1.228 223 W HN 0.460 nan 8.180 nan 0.000 0.499 224 D N 1.403 122.096 120.400 0.487 0.000 2.457 224 D HA 0.401 5.419 4.640 0.630 0.000 0.240 224 D C -0.438 176.079 176.300 0.361 0.000 1.041 224 D CA -0.500 53.748 54.000 0.413 0.000 0.861 224 D CB 2.030 42.926 40.800 0.160 0.000 1.394 224 D HN 0.233 nan 8.370 nan 0.000 0.473 225 S N -0.454 115.324 115.700 0.131 0.000 2.607 225 S HA 0.325 5.173 4.470 0.630 0.000 0.303 225 S C 0.901 175.377 174.600 -0.207 0.000 1.086 225 S CA -0.756 57.310 58.200 -0.224 0.000 0.995 225 S CB 2.197 64.976 63.200 -0.702 0.000 1.084 225 S HN 0.460 nan 8.310 nan 0.000 0.507 226 K N 0.605 120.865 120.400 -0.233 0.000 2.362 226 K HA -0.002 4.697 4.320 0.630 0.000 0.200 226 K C 1.218 177.654 176.600 -0.273 0.000 1.046 226 K CA 1.388 57.558 56.287 -0.195 0.000 0.952 226 K CB -0.500 31.908 32.500 -0.154 0.000 0.753 226 K HN 0.441 nan 8.250 nan 0.000 0.466 227 S N 0.648 116.084 115.700 -0.440 0.000 2.603 227 S HA 0.094 4.943 4.470 0.630 0.000 0.229 227 S C 1.236 175.440 174.600 -0.660 0.000 0.972 227 S CA 0.520 58.340 58.200 -0.632 0.000 0.935 227 S CB 0.028 62.613 63.200 -1.025 0.000 0.769 227 S HN 0.717 nan 8.310 nan 0.000 0.536 228 G N 0.502 109.054 108.800 -0.414 0.000 2.132 228 G HA2 -0.243 4.095 3.960 0.630 0.000 0.234 228 G HA3 -0.243 4.095 3.960 0.630 0.000 0.234 228 G C -0.119 174.782 174.900 0.003 0.000 0.989 228 G CA -0.307 44.682 45.100 -0.185 0.000 0.676 228 G HN 0.579 nan 8.290 nan 0.000 0.522 229 Y N -0.767 119.558 120.300 0.041 0.000 2.488 229 Y HA 0.730 5.658 4.550 0.631 0.000 0.325 229 Y C 0.682 176.746 175.900 0.273 0.000 1.204 229 Y CA -1.125 57.059 58.100 0.139 0.000 1.229 229 Y CB 1.324 39.911 38.460 0.213 0.000 1.274 229 Y HN 0.325 nan 8.280 nan 0.000 0.493 230 M N 0.760 120.582 119.600 0.371 0.000 2.691 230 M HA 0.705 5.563 4.480 0.630 0.000 0.293 230 M C -1.602 174.723 176.300 0.040 0.000 1.259 230 M CA -0.897 54.559 55.300 0.260 0.000 0.827 230 M CB 2.113 34.712 32.600 -0.003 0.000 1.753 230 M HN 0.342 nan 8.290 nan 0.000 0.465 231 M N 2.001 121.568 119.600 -0.056 0.000 2.386 231 M HA 0.542 5.400 4.480 0.630 0.000 0.293 231 M C -1.323 175.024 176.300 0.079 0.000 1.120 231 M CA -0.454 54.818 55.300 -0.047 0.000 0.909 231 M CB 2.147 34.509 32.600 -0.397 0.000 1.661 231 M HN 0.866 nan 8.290 nan 0.000 0.452 232 L N 3.380 124.683 121.223 0.133 0.000 2.467 232 L HA 0.133 4.851 4.340 0.630 0.000 0.270 232 L C -1.244 175.740 176.870 0.190 0.000 1.205 232 L CA -1.324 53.527 54.840 0.019 0.000 0.828 232 L CB 0.044 42.081 42.059 -0.037 0.000 1.101 232 L HN 0.443 nan 8.230 nan 0.000 0.479 233 P HA -0.204 nan 4.420 nan 0.000 0.217 233 P C 1.437 178.892 177.300 0.258 0.000 1.151 233 P CA 1.754 65.041 63.100 0.311 0.000 0.849 233 P CB -0.014 31.814 31.700 0.212 0.000 0.787 234 T N -4.190 110.483 114.554 0.197 0.000 2.904 234 T HA -0.105 4.624 4.350 0.630 0.000 0.267 234 T C 1.429 176.254 174.700 0.208 0.000 1.059 234 T CA 1.109 63.342 62.100 0.221 0.000 1.137 234 T CB -0.901 68.107 68.868 0.234 0.000 0.879 234 T HN 0.056 nan 8.240 nan 0.000 0.467 235 D N 0.567 121.111 120.400 0.240 0.000 2.084 235 D HA -0.081 4.937 4.640 0.630 0.000 0.194 235 D C 1.728 178.051 176.300 0.039 0.000 0.990 235 D CA 1.165 55.319 54.000 0.256 0.000 0.826 235 D CB -0.560 40.483 40.800 0.404 0.000 0.971 235 D HN 0.457 nan 8.370 nan 0.000 0.453 236 Y N 1.896 122.094 120.300 -0.171 0.000 2.315 236 Y HA -0.248 4.678 4.550 0.628 0.000 0.288 236 Y C 2.499 178.264 175.900 -0.225 0.000 1.154 236 Y CA 1.668 59.513 58.100 -0.426 0.000 1.229 236 Y CB -0.081 37.874 38.460 -0.841 0.000 0.980 236 Y HN -0.035 nan 8.280 nan 0.000 0.540 237 S N -0.333 115.410 115.700 0.071 0.000 2.442 237 S HA -0.194 4.654 4.470 0.630 0.000 0.236 237 S C 1.775 176.430 174.600 0.092 0.000 1.007 237 S CA 1.370 59.642 58.200 0.120 0.000 0.965 237 S CB -0.929 62.407 63.200 0.227 0.000 0.773 237 S HN 0.562 nan 8.310 nan 0.000 0.504 238 L N 1.015 122.234 121.223 -0.007 0.000 2.362 238 L HA 0.126 4.844 4.340 0.630 0.000 0.219 238 L C 2.212 179.059 176.870 -0.038 0.000 1.134 238 L CA 1.093 55.930 54.840 -0.006 0.000 0.807 238 L CB -0.678 41.329 42.059 -0.087 0.000 0.927 238 L HN 0.556 nan 8.230 nan 0.000 0.447 239 I N -5.147 115.283 120.570 -0.233 0.000 4.018 239 I HA 0.043 4.591 4.170 0.630 0.000 0.337 239 I C 1.843 177.826 176.117 -0.222 0.000 1.327 239 I CA 0.135 61.279 61.300 -0.261 0.000 1.100 239 I CB 0.035 37.777 38.000 -0.430 0.000 1.025 239 I HN 0.108 nan 8.210 nan 0.000 0.396 240 Q N 1.356 121.055 119.800 -0.168 0.000 2.269 240 Q HA 0.052 4.770 4.340 0.630 0.000 0.201 240 Q C 0.477 176.485 176.000 0.013 0.000 0.946 240 Q CA 0.615 56.387 55.803 -0.052 0.000 0.877 240 Q CB 0.293 29.051 28.738 0.033 0.000 0.963 240 Q HN 0.519 nan 8.270 nan 0.000 0.472 241 D N 0.750 121.180 120.400 0.050 0.000 2.249 241 D HA 0.056 5.074 4.640 0.630 0.000 0.246 241 D C -1.845 174.455 176.300 0.001 0.000 1.114 241 D CA -2.118 51.899 54.000 0.029 0.000 0.854 241 D CB 1.774 42.592 40.800 0.030 0.000 1.132 241 D HN -0.086 nan 8.370 nan 0.000 0.461 242 P HA -0.093 nan 4.420 nan 0.000 0.221 242 P C 0.884 178.163 177.300 -0.034 0.000 1.150 242 P CA 0.909 63.993 63.100 -0.027 0.000 0.800 242 P CB 0.606 32.289 31.700 -0.027 0.000 0.787 243 K N -0.782 119.571 120.400 -0.077 0.000 2.044 243 K HA -0.082 4.617 4.320 0.630 0.000 0.204 243 K C 2.496 179.099 176.600 0.005 0.000 1.049 243 K CA 1.155 57.392 56.287 -0.083 0.000 0.945 243 K CB -0.586 31.813 32.500 -0.168 0.000 0.724 243 K HN 0.215 nan 8.250 nan 0.000 0.440 244 Y N 0.912 121.202 120.300 -0.016 0.000 2.181 244 Y HA -0.249 4.677 4.550 0.627 0.000 0.288 244 Y C 2.406 178.280 175.900 -0.045 0.000 1.146 244 Y CA 0.150 58.240 58.100 -0.016 0.000 1.164 244 Y CB -0.081 38.385 38.460 0.009 0.000 0.982 244 Y HN 0.034 nan 8.280 nan 0.000 0.515 245 L N -0.169 121.120 121.223 0.111 0.000 2.042 245 L HA -0.248 4.471 4.340 0.630 0.000 0.210 245 L C 2.281 179.137 176.870 -0.023 0.000 1.076 245 L CA 1.823 56.671 54.840 0.013 0.000 0.749 245 L CB -0.848 41.199 42.059 -0.020 0.000 0.893 245 L HN -0.027 nan 8.230 nan 0.000 0.432 246 S N -0.341 115.342 115.700 -0.029 0.000 2.383 246 S HA -0.151 4.698 4.470 0.630 0.000 0.229 246 S C 1.899 176.426 174.600 -0.122 0.000 1.030 246 S CA 1.867 60.028 58.200 -0.065 0.000 1.002 246 S CB -0.488 62.678 63.200 -0.057 0.000 0.829 246 S HN 0.537 nan 8.310 nan 0.000 0.467 247 I N 0.693 121.186 120.570 -0.128 0.000 2.286 247 I HA -0.087 4.461 4.170 0.630 0.000 0.245 247 I C 2.140 178.017 176.117 -0.400 0.000 1.104 247 I CA 0.561 61.680 61.300 -0.301 0.000 1.397 247 I CB -0.493 37.385 38.000 -0.204 0.000 1.072 247 I HN 0.108 nan 8.210 nan 0.000 0.417 248 V N 1.297 121.118 119.914 -0.156 0.000 2.282 248 V HA -0.342 4.157 4.120 0.630 0.000 0.249 248 V C 2.495 178.509 176.094 -0.133 0.000 1.057 248 V CA 2.009 64.270 62.300 -0.065 0.000 1.032 248 V CB -0.736 31.119 31.823 0.053 0.000 0.645 248 V HN 0.398 nan 8.190 nan 0.000 0.447 249 K N -0.396 119.934 120.400 -0.117 0.000 2.063 249 K HA -0.220 4.479 4.320 0.630 0.000 0.208 249 K C 2.160 178.680 176.600 -0.134 0.000 1.048 249 K CA 1.798 58.027 56.287 -0.097 0.000 0.928 249 K CB -0.226 32.228 32.500 -0.077 0.000 0.713 249 K HN 0.585 nan 8.250 nan 0.000 0.442 250 E N -0.160 119.906 120.200 -0.224 0.000 2.051 250 E HA -0.195 4.534 4.350 0.630 0.000 0.192 250 E C 1.887 178.390 176.600 -0.161 0.000 0.991 250 E CA 1.426 57.689 56.400 -0.227 0.000 0.799 250 E CB -0.116 29.371 29.700 -0.354 0.000 0.748 250 E HN 0.460 nan 8.360 nan 0.000 0.449 251 Y N 0.017 120.147 120.300 -0.284 0.000 2.337 251 Y HA -0.051 4.876 4.550 0.628 0.000 0.293 251 Y C 2.430 178.141 175.900 -0.315 0.000 1.123 251 Y CA 0.003 57.850 58.100 -0.421 0.000 1.201 251 Y CB 0.057 37.868 38.460 -1.082 0.000 1.011 251 Y HN 0.074 nan 8.280 nan 0.000 0.545 252 A N 0.227 122.994 122.820 -0.089 0.000 2.070 252 A HA -0.154 4.544 4.320 0.630 0.000 0.220 252 A C 1.585 179.177 177.584 0.014 0.000 1.159 252 A CA 1.441 53.489 52.037 0.018 0.000 0.656 252 A CB -0.343 18.677 19.000 0.034 0.000 0.800 252 A HN 0.423 nan 8.150 nan 0.000 0.453 253 N N -0.573 118.127 118.700 -0.000 0.000 2.187 253 N HA 0.052 5.170 4.740 0.630 0.000 0.212 253 N C -0.993 174.530 175.510 0.021 0.000 1.152 253 N CA 0.203 53.256 53.050 0.005 0.000 0.872 253 N CB 0.795 39.275 38.487 -0.012 0.000 1.025 253 N HN 0.330 nan 8.380 nan 0.000 0.514 254 D N 0.544 120.975 120.400 0.052 0.000 2.445 254 D HA 0.122 5.141 4.640 0.630 0.000 0.236 254 D C 0.759 177.129 176.300 0.116 0.000 1.315 254 D CA -0.157 53.886 54.000 0.072 0.000 0.924 254 D CB 0.676 41.525 40.800 0.082 0.000 1.447 254 D HN -0.116 nan 8.370 nan 0.000 0.532 255 Q N 0.857 120.690 119.800 0.054 0.000 2.077 255 Q HA -0.197 4.521 4.340 0.630 0.000 0.206 255 Q C 0.904 176.884 176.000 -0.033 0.000 0.989 255 Q CA 1.859 57.673 55.803 0.019 0.000 0.853 255 Q CB 0.166 28.828 28.738 -0.128 0.000 0.907 255 Q HN 0.442 nan 8.270 nan 0.000 0.418 256 D N 0.336 120.703 120.400 -0.055 0.000 2.117 256 D HA -0.184 4.834 4.640 0.630 0.000 0.197 256 D C 1.790 178.150 176.300 0.099 0.000 0.987 256 D CA 1.233 55.216 54.000 -0.028 0.000 0.829 256 D CB 0.068 40.858 40.800 -0.018 0.000 0.961 256 D HN -0.053 nan 8.370 nan 0.000 0.460 257 K N -0.463 120.021 120.400 0.139 0.000 2.026 257 K HA -0.144 4.554 4.320 0.630 0.000 0.208 257 K C 1.934 178.675 176.600 0.235 0.000 1.048 257 K CA 1.101 57.509 56.287 0.201 0.000 0.929 257 K CB -0.902 31.741 32.500 0.239 0.000 0.713 257 K HN 0.201 nan 8.250 nan 0.000 0.439 258 F N 0.375 120.359 119.950 0.058 0.000 2.095 258 F HA -0.147 4.756 4.527 0.627 0.000 0.298 258 F C 1.713 177.584 175.800 0.120 0.000 1.104 258 F CA 1.558 59.412 58.000 -0.244 0.000 1.232 258 F CB -0.798 38.105 39.000 -0.161 0.000 0.987 258 F HN 0.090 nan 8.300 nan 0.000 0.475 259 F N 0.670 120.458 119.950 -0.269 0.000 2.126 259 F HA -0.246 4.660 4.527 0.632 0.000 0.299 259 F C 2.470 178.155 175.800 -0.192 0.000 1.096 259 F CA 1.365 59.176 58.000 -0.316 0.000 1.255 259 F CB -0.319 38.612 39.000 -0.113 0.000 0.997 259 F HN -0.065 nan 8.300 nan 0.000 0.479 260 K N -0.117 120.345 120.400 0.103 0.000 2.057 260 K HA -0.173 4.525 4.320 0.630 0.000 0.206 260 K C 1.475 178.080 176.600 0.009 0.000 1.050 260 K CA 1.626 57.944 56.287 0.051 0.000 0.935 260 K CB -0.251 32.290 32.500 0.069 0.000 0.715 260 K HN 0.156 nan 8.250 nan 0.000 0.439 261 D N 0.328 120.736 120.400 0.013 0.000 2.149 261 D HA -0.123 4.896 4.640 0.630 0.000 0.201 261 D C 1.591 177.865 176.300 -0.045 0.000 0.972 261 D CA 0.713 54.726 54.000 0.021 0.000 0.835 261 D CB -0.219 40.653 40.800 0.120 0.000 0.966 261 D HN 0.047 nan 8.370 nan 0.000 0.476 262 F N 1.211 120.983 119.950 -0.296 0.000 2.102 262 F HA -0.228 4.677 4.527 0.630 0.000 0.298 262 F C 2.556 178.240 175.800 -0.192 0.000 1.105 262 F CA 1.536 59.353 58.000 -0.305 0.000 1.239 262 F CB -0.353 38.277 39.000 -0.616 0.000 0.991 262 F HN -0.139 nan 8.300 nan 0.000 0.474 263 S N 0.071 115.721 115.700 -0.083 0.000 2.365 263 S HA -0.261 4.587 4.470 0.630 0.000 0.225 263 S C 2.130 176.667 174.600 -0.105 0.000 1.039 263 S CA 1.877 60.026 58.200 -0.086 0.000 1.033 263 S CB -0.392 62.772 63.200 -0.059 0.000 0.887 263 S HN 0.470 nan 8.310 nan 0.000 0.447 264 K N 0.745 121.090 120.400 -0.092 0.000 2.009 264 K HA -0.071 4.627 4.320 0.630 0.000 0.210 264 K C 2.452 178.985 176.600 -0.113 0.000 1.049 264 K CA 1.371 57.608 56.287 -0.083 0.000 0.929 264 K CB -0.467 32.003 32.500 -0.049 0.000 0.714 264 K HN 0.452 nan 8.250 nan 0.000 0.440 265 A N 0.810 123.540 122.820 -0.150 0.000 1.930 265 A HA -0.142 4.556 4.320 0.630 0.000 0.217 265 A C 2.001 179.473 177.584 -0.186 0.000 1.175 265 A CA 1.050 52.991 52.037 -0.159 0.000 0.627 265 A CB -0.656 18.237 19.000 -0.178 0.000 0.815 265 A HN 0.336 nan 8.150 nan 0.000 0.443 266 F N 0.293 119.928 119.950 -0.525 0.000 2.146 266 F HA -0.121 4.781 4.527 0.625 0.000 0.298 266 F C 2.351 178.026 175.800 -0.207 0.000 1.096 266 F CA 1.804 59.516 58.000 -0.481 0.000 1.275 266 F CB 0.032 38.566 39.000 -0.777 0.000 1.008 266 F HN 0.406 nan 8.300 nan 0.000 0.480 267 E N 0.626 120.742 120.200 -0.139 0.000 2.077 267 E HA -0.304 4.425 4.350 0.630 0.000 0.193 267 E C 2.281 178.774 176.600 -0.179 0.000 0.989 267 E CA 1.442 57.749 56.400 -0.155 0.000 0.800 267 E CB -0.210 29.429 29.700 -0.103 0.000 0.746 267 E HN 0.378 nan 8.360 nan 0.000 0.452 268 K N 0.394 120.704 120.400 -0.150 0.000 2.032 268 K HA -0.208 4.490 4.320 0.630 0.000 0.209 268 K C 2.354 178.862 176.600 -0.153 0.000 1.048 268 K CA 1.383 57.590 56.287 -0.133 0.000 0.927 268 K CB -0.261 32.185 32.500 -0.091 0.000 0.712 268 K HN 0.176 nan 8.250 nan 0.000 0.441 269 L N 1.154 122.297 121.223 -0.134 0.000 2.042 269 L HA -0.174 4.545 4.340 0.630 0.000 0.210 269 L C 1.926 178.711 176.870 -0.142 0.000 1.076 269 L CA 1.514 56.309 54.840 -0.076 0.000 0.749 269 L CB -0.377 41.678 42.059 -0.007 0.000 0.893 269 L HN 0.192 nan 8.230 nan 0.000 0.432 270 L N -0.746 120.336 121.223 -0.236 0.000 2.376 270 L HA -0.060 4.658 4.340 0.630 0.000 0.219 270 L C 2.141 178.931 176.870 -0.133 0.000 1.133 270 L CA 1.364 56.091 54.840 -0.189 0.000 0.816 270 L CB -0.610 41.302 42.059 -0.245 0.000 0.933 270 L HN 0.391 nan 8.230 nan 0.000 0.449 271 E N -1.794 118.311 120.200 -0.159 0.000 2.489 271 E HA 0.088 4.817 4.350 0.630 0.000 0.204 271 E C 0.081 176.537 176.600 -0.240 0.000 1.006 271 E CA -0.337 56.007 56.400 -0.094 0.000 0.936 271 E CB 0.327 30.024 29.700 -0.005 0.000 1.002 271 E HN 0.336 nan 8.360 nan 0.000 0.488 272 N N 0.831 119.257 118.700 -0.457 0.000 2.356 272 N HA -0.033 5.085 4.740 0.630 0.000 0.252 272 N C 1.000 175.846 175.510 -1.106 0.000 1.241 272 N CA 1.522 53.965 53.050 -1.011 0.000 0.861 272 N CB 1.025 38.549 38.487 -1.605 0.000 1.075 272 N HN 0.356 nan 8.380 nan 0.000 0.461 273 G N 1.265 109.524 108.800 -0.901 0.000 2.217 273 G HA2 -0.259 4.080 3.960 0.630 0.000 0.246 273 G HA3 -0.259 4.080 3.960 0.630 0.000 0.246 273 G C 0.111 174.912 174.900 -0.166 0.000 0.990 273 G CA -0.108 44.825 45.100 -0.279 0.000 0.627 273 G HN 0.545 nan 8.290 nan 0.000 0.522 274 I N 1.960 122.377 120.570 -0.255 0.000 2.359 274 I HA 0.407 4.955 4.170 0.630 0.000 0.294 274 I C 0.089 175.953 176.117 -0.421 0.000 0.987 274 I CA -0.585 60.494 61.300 -0.368 0.000 1.225 274 I CB 1.853 39.553 38.000 -0.499 0.000 1.366 274 I HN -0.034 nan 8.210 nan 0.000 0.466 275 T N 6.336 120.641 114.554 -0.414 0.000 2.744 275 T HA 0.427 5.155 4.350 0.630 0.000 0.291 275 T C -0.430 174.030 174.700 -0.401 0.000 0.957 275 T CA -0.187 61.743 62.100 -0.283 0.000 1.002 275 T CB 0.119 68.887 68.868 -0.168 0.000 0.919 275 T HN 0.113 nan 8.240 nan 0.000 0.468 276 F N 4.534 124.441 119.950 -0.072 0.000 2.391 276 F HA 0.370 5.274 4.527 0.628 0.000 0.359 276 F C -1.665 174.099 175.800 -0.061 0.000 1.122 276 F CA -2.500 55.454 58.000 -0.077 0.000 1.120 276 F CB 0.415 39.342 39.000 -0.120 0.000 1.142 276 F HN 0.356 nan 8.300 nan 0.000 0.483 277 P HA -0.017 nan 4.420 nan 0.000 0.267 277 P C 0.570 177.900 177.300 0.049 0.000 1.201 277 P CA -0.189 62.940 63.100 0.048 0.000 0.775 277 P CB 0.731 32.454 31.700 0.039 0.000 0.854 278 K N 1.536 121.951 120.400 0.024 0.000 2.360 278 K HA -0.114 4.585 4.320 0.630 0.000 0.201 278 K C 0.643 177.243 176.600 0.000 0.000 1.046 278 K CA 1.354 57.647 56.287 0.009 0.000 0.945 278 K CB -0.520 31.981 32.500 0.002 0.000 0.750 278 K HN 0.604 nan 8.250 nan 0.000 0.464 279 D N -0.636 119.770 120.400 0.009 0.000 2.368 279 D HA 0.115 5.133 4.640 0.630 0.000 0.218 279 D C 0.318 176.623 176.300 0.009 0.000 1.112 279 D CA -0.308 53.695 54.000 0.006 0.000 0.834 279 D CB -0.163 40.644 40.800 0.013 0.000 0.953 279 D HN -0.042 nan 8.370 nan 0.000 0.505 280 A N 1.523 124.351 122.820 0.013 0.000 2.448 280 A HA 0.440 5.138 4.320 0.630 0.000 0.239 280 A C -1.839 175.712 177.584 -0.054 0.000 1.080 280 A CA -0.861 51.181 52.037 0.009 0.000 0.779 280 A CB -0.312 18.728 19.000 0.066 0.000 1.026 280 A HN 0.117 nan 8.150 nan 0.000 0.499 281 P HA 0.172 nan 4.420 nan 0.000 0.270 281 P C -0.051 177.080 177.300 -0.282 0.000 1.223 281 P CA -0.200 62.825 63.100 -0.124 0.000 0.785 281 P CB 0.297 31.946 31.700 -0.086 0.000 0.923 282 S N 1.980 117.534 115.700 -0.244 0.000 2.589 282 S HA 0.214 5.062 4.470 0.630 0.000 0.265 282 S C -2.076 172.217 174.600 -0.512 0.000 1.342 282 S CA -0.607 57.410 58.200 -0.305 0.000 1.005 282 S CB -0.890 62.195 63.200 -0.191 0.000 0.909 282 S HN 0.411 nan 8.310 nan 0.000 0.555 283 P HA 0.131 nan 4.420 nan 0.000 0.266 283 P C -0.880 176.198 177.300 -0.371 0.000 1.195 283 P CA 0.236 63.017 63.100 -0.530 0.000 0.768 283 P CB 0.155 31.631 31.700 -0.372 0.000 0.838 284 F N 2.156 121.994 119.950 -0.188 0.000 2.396 284 F HA 0.404 5.309 4.527 0.630 0.000 0.343 284 F C 0.902 176.458 175.800 -0.405 0.000 1.104 284 F CA -0.714 57.130 58.000 -0.259 0.000 1.161 284 F CB 0.667 39.496 39.000 -0.285 0.000 1.146 284 F HN 0.035 nan 8.300 nan 0.000 0.522 285 I N 4.069 124.551 120.570 -0.147 0.000 2.390 285 I HA 0.224 4.773 4.170 0.630 0.000 0.283 285 I C -0.785 175.248 176.117 -0.140 0.000 1.016 285 I CA -0.535 60.663 61.300 -0.169 0.000 1.151 285 I CB 0.660 38.612 38.000 -0.080 0.000 1.293 285 I HN 0.357 nan 8.210 nan 0.000 0.458 286 F N 4.907 124.905 119.950 0.079 0.000 2.418 286 F HA 0.297 5.201 4.527 0.629 0.000 0.341 286 F C 0.906 176.531 175.800 -0.292 0.000 1.120 286 F CA -0.478 57.396 58.000 -0.210 0.000 1.232 286 F CB 0.416 38.975 39.000 -0.735 0.000 1.175 286 F HN 0.276 nan 8.300 nan 0.000 0.569 287 K N 1.106 121.461 120.400 -0.074 0.000 2.270 287 K HA 0.263 4.961 4.320 0.630 0.000 0.276 287 K C 0.318 176.807 176.600 -0.185 0.000 1.023 287 K CA -0.502 55.738 56.287 -0.078 0.000 0.955 287 K CB 0.635 33.139 32.500 0.005 0.000 0.975 287 K HN 0.766 nan 8.250 nan 0.000 0.471 288 T N -0.504 114.046 114.554 -0.006 0.000 2.766 288 T HA 0.110 4.838 4.350 0.630 0.000 0.295 288 T C 1.559 176.350 174.700 0.151 0.000 1.024 288 T CA -0.611 61.581 62.100 0.153 0.000 1.018 288 T CB 0.435 69.395 68.868 0.153 0.000 1.002 288 T HN 0.450 nan 8.240 nan 0.000 0.532 289 L N 0.070 121.418 121.223 0.209 0.000 2.042 289 L HA -0.118 4.600 4.340 0.630 0.000 0.210 289 L C 3.064 179.988 176.870 0.089 0.000 1.076 289 L CA 2.113 57.031 54.840 0.130 0.000 0.749 289 L CB -0.700 41.425 42.059 0.110 0.000 0.893 289 L HN 0.911 nan 8.230 nan 0.000 0.432 290 E N 0.536 120.788 120.200 0.088 0.000 2.085 290 E HA -0.262 4.466 4.350 0.630 0.000 0.194 290 E C 1.957 178.592 176.600 0.059 0.000 0.994 290 E CA 1.503 57.944 56.400 0.068 0.000 0.801 290 E CB 0.051 29.794 29.700 0.070 0.000 0.743 290 E HN 0.498 nan 8.360 nan 0.000 0.453 291 E N -0.123 120.114 120.200 0.061 0.000 2.268 291 E HA -0.182 4.546 4.350 0.630 0.000 0.195 291 E C 1.918 178.544 176.600 0.043 0.000 0.995 291 E CA 0.831 57.260 56.400 0.048 0.000 0.836 291 E CB 0.054 29.781 29.700 0.044 0.000 0.763 291 E HN 0.384 nan 8.360 nan 0.000 0.491 292 Q N -0.743 119.086 119.800 0.047 0.000 2.425 292 Q HA 0.085 4.804 4.340 0.630 0.000 0.204 292 Q C 0.859 176.883 176.000 0.039 0.000 0.933 292 Q CA 0.367 56.196 55.803 0.042 0.000 0.939 292 Q CB 0.887 29.651 28.738 0.044 0.000 1.044 292 Q HN 0.354 nan 8.270 nan 0.000 0.513 293 G N 0.983 109.808 108.800 0.041 0.000 2.176 293 G HA2 -0.269 4.069 3.960 0.630 0.000 0.252 293 G HA3 -0.269 4.069 3.960 0.630 0.000 0.252 293 G C -0.079 174.843 174.900 0.037 0.000 1.024 293 G CA 0.148 45.270 45.100 0.037 0.000 0.755 293 G HN 0.222 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.249 121.223 0.044 0.000 2.949 294 L HA 0.000 4.718 4.340 0.630 0.000 0.249 294 L CA 0.000 54.865 54.840 0.042 0.000 0.813 294 L CB 0.000 42.087 42.059 0.047 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502