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 3l2z_1_A DATA FIRST_RESID 8 DATA SEQUENCE RPPLDERSLR DQLIGAGSGW RQLDVVAQTG STNADLLARA ASGADIDGVV DATA SEQUENCE LIAEHQTXXX XXXXXXXXXT ARAQIILSVG VRVVDVPVQA WGWLSLAAGL DATA SEQUENCE AVLDSVAPLI AVPPAETGLK WPNDVLARGG KLAGILAEVA QPFVVLGVGL DATA SEQUENCE NVTQXXXXXX PDATSLLDLG VAAPDRNRIA SRLLRELEAR IIQWRNANPQ DATA SEQUENCE LAADYRARSL TIGSRVRVEL PGGQDVVGIA RDIDDQGRLC LDVGGRTVVV DATA SEQUENCE SAGDVVHL 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 8 R HA 0.000 nan 4.340 nan 0.000 0.208 8 R C 0.000 176.296 176.300 -0.007 0.000 0.893 8 R CA 0.000 56.096 56.100 -0.006 0.000 0.921 8 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 9 P HA 0.290 nan 4.420 nan 0.000 0.272 9 P C -2.292 175.003 177.300 -0.009 0.000 1.230 9 P CA -1.059 62.036 63.100 -0.009 0.000 0.788 9 P CB 0.147 31.842 31.700 -0.009 0.000 0.949 10 P HA 0.215 nan 4.420 nan 0.000 0.278 10 P C -0.476 176.816 177.300 -0.014 0.000 1.258 10 P CA -0.401 62.692 63.100 -0.011 0.000 0.811 10 P CB 0.865 32.557 31.700 -0.012 0.000 1.063 11 L N 1.035 122.248 121.223 -0.017 0.000 2.456 11 L HA 0.116 4.459 4.340 0.004 0.000 0.272 11 L C 0.901 177.758 176.870 -0.021 0.000 1.189 11 L CA 0.248 55.075 54.840 -0.022 0.000 0.846 11 L CB -0.036 42.006 42.059 -0.029 0.000 1.111 11 L HN 0.377 nan 8.230 nan 0.000 0.475 12 D N 2.539 122.926 120.400 -0.022 0.000 2.428 12 D HA 0.029 4.671 4.640 0.004 0.000 0.221 12 D C 0.803 177.089 176.300 -0.024 0.000 1.123 12 D CA -0.071 53.917 54.000 -0.019 0.000 0.869 12 D CB 1.095 41.885 40.800 -0.016 0.000 1.032 12 D HN 0.556 nan 8.370 nan 0.000 0.506 13 E N 2.363 122.548 120.200 -0.024 0.000 2.110 13 E HA -0.197 4.155 4.350 0.004 0.000 0.193 13 E C 1.594 178.180 176.600 -0.024 0.000 0.988 13 E CA 0.664 57.047 56.400 -0.028 0.000 0.804 13 E CB 0.504 30.188 29.700 -0.027 0.000 0.745 13 E HN 0.145 nan 8.360 nan 0.000 0.458 14 R N -0.228 120.261 120.500 -0.017 0.000 2.075 14 R HA -0.096 4.247 4.340 0.004 0.000 0.232 14 R C 2.733 179.027 176.300 -0.010 0.000 1.126 14 R CA 1.392 57.484 56.100 -0.012 0.000 0.963 14 R CB -1.147 29.148 30.300 -0.008 0.000 0.858 14 R HN 0.543 nan 8.270 nan 0.000 0.435 15 S N 0.695 116.389 115.700 -0.011 0.000 2.382 15 S HA -0.064 4.408 4.470 0.004 0.000 0.228 15 S C 2.140 176.733 174.600 -0.011 0.000 1.027 15 S CA 1.484 59.679 58.200 -0.009 0.000 0.991 15 S CB -0.394 62.801 63.200 -0.009 0.000 0.823 15 S HN 0.439 nan 8.310 nan 0.000 0.469 16 L N 1.144 122.354 121.223 -0.021 0.000 2.083 16 L HA -0.073 4.269 4.340 0.004 0.000 0.209 16 L C 3.133 179.988 176.870 -0.024 0.000 1.083 16 L CA 1.423 56.245 54.840 -0.031 0.000 0.752 16 L CB -0.456 41.571 42.059 -0.054 0.000 0.899 16 L HN 0.367 nan 8.230 nan 0.000 0.433 17 R N -0.284 120.205 120.500 -0.018 0.000 2.092 17 R HA -0.126 4.216 4.340 0.004 0.000 0.231 17 R C 1.671 177.979 176.300 0.013 0.000 1.119 17 R CA 1.264 57.362 56.100 -0.003 0.000 0.970 17 R CB -0.550 29.748 30.300 -0.004 0.000 0.864 17 R HN 0.393 nan 8.270 nan 0.000 0.440 18 D N 1.256 121.661 120.400 0.009 0.000 2.117 18 D HA -0.133 4.509 4.640 0.004 0.000 0.197 18 D C 2.044 178.358 176.300 0.023 0.000 0.987 18 D CA 1.189 55.198 54.000 0.014 0.000 0.829 18 D CB -0.119 40.687 40.800 0.009 0.000 0.961 18 D HN 0.330 nan 8.370 nan 0.000 0.460 19 Q N -0.435 119.378 119.800 0.021 0.000 2.119 19 Q HA 0.009 4.351 4.340 0.004 0.000 0.201 19 Q C 1.965 177.999 176.000 0.056 0.000 0.972 19 Q CA 0.771 56.592 55.803 0.031 0.000 0.847 19 Q CB 0.211 28.961 28.738 0.020 0.000 0.903 19 Q HN 0.303 nan 8.270 nan 0.000 0.433 20 L N -0.608 120.656 121.223 0.069 0.000 2.672 20 L HA 0.287 4.629 4.340 0.004 0.000 0.236 20 L C 0.382 177.363 176.870 0.185 0.000 1.092 20 L CA -0.146 54.779 54.840 0.141 0.000 0.887 20 L CB 0.720 42.841 42.059 0.104 0.000 1.168 20 L HN 0.023 nan 8.230 nan 0.000 0.502 21 I N -0.197 120.442 120.570 0.116 0.000 2.493 21 I HA 0.649 4.821 4.170 0.004 0.000 0.298 21 I C 0.310 176.468 176.117 0.068 0.000 0.998 21 I CA -0.505 60.859 61.300 0.107 0.000 1.137 21 I CB 1.761 39.811 38.000 0.083 0.000 1.310 21 I HN -0.050 nan 8.210 nan 0.000 0.445 22 G N 3.089 111.922 108.800 0.055 0.000 2.870 22 G HA2 0.649 4.612 3.960 0.004 0.000 0.299 22 G HA3 0.649 4.612 3.960 0.004 0.000 0.299 22 G C -0.973 173.947 174.900 0.032 0.000 1.324 22 G CA -0.451 44.681 45.100 0.053 0.000 0.808 22 G HN 0.976 nan 8.290 nan 0.000 0.535 23 A N -1.693 121.137 122.820 0.017 0.000 1.484 23 A HA 0.252 4.575 4.320 0.004 0.000 0.189 23 A C 1.226 178.815 177.584 0.008 0.000 1.227 23 A CA 1.426 53.467 52.037 0.007 0.000 0.644 23 A CB -1.085 17.921 19.000 0.009 0.000 1.124 23 A HN 2.389 nan 8.150 nan 0.000 0.178 24 G N 2.053 110.853 108.800 -0.000 0.000 3.518 24 G HA2 0.407 4.370 3.960 0.004 0.000 0.273 24 G HA3 0.407 4.370 3.960 0.004 0.000 0.273 24 G C 0.568 175.447 174.900 -0.034 0.000 1.199 24 G CA 0.877 45.968 45.100 -0.015 0.000 0.899 24 G HN 1.421 nan 8.290 nan 0.000 0.533 25 S N -0.676 115.011 115.700 -0.022 0.000 2.573 25 S HA 0.367 4.839 4.470 0.004 0.000 0.277 25 S C 1.742 176.265 174.600 -0.130 0.000 1.346 25 S CA 0.289 58.457 58.200 -0.053 0.000 1.034 25 S CB 1.064 64.290 63.200 0.043 0.000 0.879 25 S HN 0.282 nan 8.310 nan 0.000 0.528 26 G N 2.596 111.195 108.800 -0.335 0.000 2.985 26 G HA2 0.099 4.062 3.960 0.004 0.000 0.209 26 G HA3 0.099 4.062 3.960 0.004 0.000 0.209 26 G C -0.176 174.484 174.900 -0.401 0.000 1.165 26 G CA -0.527 44.324 45.100 -0.416 0.000 0.776 26 G HN 0.723 nan 8.290 nan 0.000 0.541 27 W N 0.403 121.703 121.300 -0.000 0.000 2.331 27 W HA 0.559 5.219 4.660 -0.001 0.000 0.306 27 W C 1.147 177.660 176.519 -0.010 0.000 1.162 27 W CA -1.260 56.080 57.345 -0.009 0.000 1.232 27 W CB 1.072 30.525 29.460 -0.011 0.000 1.235 27 W HN -0.126 nan 8.180 nan 0.000 0.479 28 R N 1.331 121.959 120.500 0.214 0.000 2.206 28 R HA 0.054 4.397 4.340 0.004 0.000 0.198 28 R C 0.276 176.632 176.300 0.092 0.000 0.986 28 R CA 0.289 56.457 56.100 0.114 0.000 1.029 28 R CB 0.600 30.942 30.300 0.071 0.000 0.966 28 R HN 0.553 nan 8.270 nan 0.000 0.487 29 Q N 0.413 120.273 119.800 0.100 0.000 2.418 29 Q HA 0.536 4.879 4.340 0.004 0.000 0.282 29 Q C -2.040 173.967 176.000 0.011 0.000 1.044 29 Q CA -0.720 55.109 55.803 0.044 0.000 0.813 29 Q CB 2.210 30.960 28.738 0.020 0.000 1.428 29 Q HN 0.085 nan 8.270 nan 0.000 0.402 30 L N 2.255 123.465 121.223 -0.023 0.000 2.513 30 L HA 0.643 4.985 4.340 0.004 0.000 0.261 30 L C -2.070 174.766 176.870 -0.057 0.000 0.945 30 L CA -0.367 54.431 54.840 -0.070 0.000 0.848 30 L CB 2.191 44.191 42.059 -0.098 0.000 1.334 30 L HN 0.803 nan 8.230 nan 0.000 0.407 31 D N 3.339 123.698 120.400 -0.067 0.000 2.732 31 D HA 0.573 5.215 4.640 0.004 0.000 0.229 31 D C -1.175 175.090 176.300 -0.058 0.000 1.152 31 D CA -0.201 53.768 54.000 -0.052 0.000 0.854 31 D CB 3.179 43.954 40.800 -0.042 0.000 1.590 31 D HN 0.197 nan 8.370 nan 0.000 0.468 32 V N 0.986 120.872 119.914 -0.046 0.000 2.628 32 V HA 0.584 4.707 4.120 0.004 0.000 0.306 32 V C -0.036 176.040 176.094 -0.030 0.000 1.045 32 V CA -0.820 61.454 62.300 -0.043 0.000 0.905 32 V CB 1.969 33.768 31.823 -0.039 0.000 0.997 32 V HN 0.469 nan 8.190 nan 0.000 0.436 33 V N 1.514 121.412 119.914 -0.026 0.000 2.789 33 V HA 0.877 4.999 4.120 0.004 0.000 0.311 33 V C 0.710 176.801 176.094 -0.004 0.000 1.073 33 V CA 0.091 62.381 62.300 -0.015 0.000 0.921 33 V CB 1.630 33.444 31.823 -0.016 0.000 1.009 33 V HN 0.919 nan 8.190 nan 0.000 0.426 34 A N 2.309 125.130 122.820 0.001 0.000 1.930 34 A HA 0.442 4.764 4.320 0.004 0.000 0.217 34 A C 1.292 178.900 177.584 0.040 0.000 1.175 34 A CA 2.220 54.264 52.037 0.012 0.000 0.627 34 A CB -0.471 18.530 19.000 0.002 0.000 0.815 34 A HN 2.042 nan 8.150 nan 0.000 0.443 35 Q N -2.435 117.386 119.800 0.035 0.000 2.426 35 Q HA 0.630 4.973 4.340 0.004 0.000 0.278 35 Q C -0.653 175.364 176.000 0.028 0.000 1.007 35 Q CA 0.005 55.845 55.803 0.061 0.000 0.850 35 Q CB 1.068 29.854 28.738 0.079 0.000 1.427 35 Q HN 0.926 nan 8.270 nan 0.000 0.391 36 T N -1.430 113.134 114.554 0.018 0.000 2.733 36 T HA 0.618 4.970 4.350 0.004 0.000 0.312 36 T C 1.001 175.690 174.700 -0.019 0.000 1.590 36 T CA 0.858 62.956 62.100 -0.003 0.000 1.005 36 T CB 1.094 69.952 68.868 -0.016 0.000 1.528 36 T HN 1.499 nan 8.240 nan 0.000 0.496 37 G N 0.868 109.655 108.800 -0.021 0.000 2.404 37 G HA2 0.265 4.227 3.960 0.004 0.000 0.214 37 G HA3 0.265 4.227 3.960 0.004 0.000 0.214 37 G C 0.514 175.386 174.900 -0.047 0.000 1.189 37 G CA 0.911 45.992 45.100 -0.032 0.000 0.789 37 G HN 0.842 nan 8.290 nan 0.000 0.533 38 S N -1.543 114.132 115.700 -0.041 0.000 2.548 38 S HA 0.437 4.909 4.470 0.004 0.000 0.276 38 S C 1.209 175.782 174.600 -0.045 0.000 1.129 38 S CA 0.215 58.387 58.200 -0.047 0.000 0.931 38 S CB 1.577 64.754 63.200 -0.039 0.000 1.068 38 S HN 0.326 nan 8.310 nan 0.000 0.480 39 T N 2.984 117.507 114.554 -0.053 0.000 2.821 39 T HA -0.088 4.264 4.350 0.004 0.000 0.267 39 T C 1.398 176.068 174.700 -0.050 0.000 1.046 39 T CA 1.399 63.467 62.100 -0.054 0.000 1.139 39 T CB -0.532 68.297 68.868 -0.064 0.000 0.871 39 T HN 0.540 nan 8.240 nan 0.000 0.454 40 N N 2.132 120.803 118.700 -0.048 0.000 2.142 40 N HA 0.137 4.880 4.740 0.004 0.000 0.186 40 N C 2.183 177.674 175.510 -0.031 0.000 1.023 40 N CA 1.424 54.450 53.050 -0.041 0.000 0.852 40 N CB -0.745 37.719 38.487 -0.039 0.000 0.998 40 N HN 0.569 nan 8.380 nan 0.000 0.424 41 A N 0.815 123.619 122.820 -0.028 0.000 1.902 41 A HA -0.142 4.180 4.320 0.004 0.000 0.217 41 A C 1.656 179.229 177.584 -0.020 0.000 1.181 41 A CA 1.712 53.737 52.037 -0.020 0.000 0.623 41 A CB -0.550 18.439 19.000 -0.018 0.000 0.818 41 A HN 0.151 nan 8.150 nan 0.000 0.443 42 D N 0.063 120.447 120.400 -0.026 0.000 2.123 42 D HA -0.125 4.518 4.640 0.004 0.000 0.196 42 D C 1.884 178.166 176.300 -0.030 0.000 0.992 42 D CA 0.874 54.858 54.000 -0.026 0.000 0.833 42 D CB -0.326 40.455 40.800 -0.031 0.000 0.954 42 D HN 0.396 nan 8.370 nan 0.000 0.455 43 L N 0.056 121.255 121.223 -0.040 0.000 2.093 43 L HA -0.097 4.246 4.340 0.004 0.000 0.208 43 L C 2.354 179.200 176.870 -0.040 0.000 1.085 43 L CA 0.670 55.479 54.840 -0.052 0.000 0.755 43 L CB -0.259 41.758 42.059 -0.069 0.000 0.904 43 L HN 0.095 nan 8.230 nan 0.000 0.435 44 L N -0.627 120.585 121.223 -0.019 0.000 2.093 44 L HA -0.161 4.181 4.340 0.004 0.000 0.208 44 L C 2.850 179.728 176.870 0.014 0.000 1.085 44 L CA 1.030 55.874 54.840 0.008 0.000 0.755 44 L CB -0.719 41.348 42.059 0.013 0.000 0.904 44 L HN 0.206 nan 8.230 nan 0.000 0.435 45 A N 0.198 123.019 122.820 0.003 0.000 1.908 45 A HA -0.211 4.111 4.320 0.004 0.000 0.218 45 A C 2.430 180.019 177.584 0.009 0.000 1.181 45 A CA 1.509 53.550 52.037 0.006 0.000 0.627 45 A CB -0.467 18.532 19.000 -0.001 0.000 0.818 45 A HN 0.314 nan 8.150 nan 0.000 0.445 46 R N -0.703 119.795 120.500 -0.003 0.000 2.081 46 R HA -0.099 4.244 4.340 0.004 0.000 0.235 46 R C 2.471 178.779 176.300 0.013 0.000 1.131 46 R CA 1.282 57.379 56.100 -0.006 0.000 0.960 46 R CB -0.490 29.792 30.300 -0.031 0.000 0.856 46 R HN 0.528 nan 8.270 nan 0.000 0.436 47 A N 1.220 124.054 122.820 0.024 0.000 1.930 47 A HA -0.021 4.302 4.320 0.004 0.000 0.217 47 A C 2.357 180.011 177.584 0.116 0.000 1.175 47 A CA 1.407 53.507 52.037 0.105 0.000 0.627 47 A CB -0.443 18.664 19.000 0.178 0.000 0.815 47 A HN 0.370 nan 8.150 nan 0.000 0.443 48 A N 0.130 122.996 122.820 0.076 0.000 1.972 48 A HA -0.067 4.255 4.320 0.004 0.000 0.219 48 A C 2.236 179.850 177.584 0.049 0.000 1.169 48 A CA 2.044 54.117 52.037 0.060 0.000 0.635 48 A CB -0.661 18.364 19.000 0.041 0.000 0.810 48 A HN 1.058 nan 8.150 nan 0.000 0.446 49 S N -1.987 113.739 115.700 0.043 0.000 2.614 49 S HA 0.421 4.893 4.470 0.004 0.000 0.230 49 S C 1.188 175.811 174.600 0.039 0.000 0.952 49 S CA 0.954 59.173 58.200 0.033 0.000 0.949 49 S CB -0.334 62.879 63.200 0.022 0.000 0.786 49 S HN 1.908 nan 8.310 nan 0.000 0.478 50 G N 0.412 109.246 108.800 0.057 0.000 2.175 50 G HA2 -0.127 3.835 3.960 0.004 0.000 0.244 50 G HA3 -0.127 3.835 3.960 0.004 0.000 0.244 50 G C 0.323 175.266 174.900 0.073 0.000 0.982 50 G CA -0.135 45.004 45.100 0.065 0.000 0.641 50 G HN 1.358 nan 8.290 nan 0.000 0.527 51 A N 0.152 123.009 122.820 0.061 0.000 2.462 51 A HA 0.503 4.826 4.320 0.004 0.000 0.243 51 A C 0.303 177.928 177.584 0.069 0.000 1.076 51 A CA 0.754 52.816 52.037 0.042 0.000 0.773 51 A CB 0.398 19.401 19.000 0.004 0.000 1.010 51 A HN 0.607 nan 8.150 nan 0.000 0.493 52 D N 1.835 122.267 120.400 0.052 0.000 2.347 52 D HA 0.286 4.928 4.640 0.004 0.000 0.235 52 D C 0.747 176.964 176.300 -0.138 0.000 1.149 52 D CA -0.318 53.719 54.000 0.062 0.000 0.850 52 D CB 0.227 41.090 40.800 0.105 0.000 1.061 52 D HN 0.418 nan 8.370 nan 0.000 0.487 53 I N 0.084 120.362 120.570 -0.487 0.000 3.875 53 I HA 0.280 4.453 4.170 0.004 0.000 0.329 53 I C 0.429 176.298 176.117 -0.413 0.000 1.295 53 I CA -0.560 60.465 61.300 -0.458 0.000 1.129 53 I CB -0.015 37.696 38.000 -0.482 0.000 1.008 53 I HN 0.103 nan 8.210 nan 0.000 0.413 54 D N 2.535 122.721 120.400 -0.356 0.000 2.455 54 D HA 0.211 4.853 4.640 0.004 0.000 0.241 54 D C 1.396 177.684 176.300 -0.020 0.000 1.138 54 D CA 1.470 55.397 54.000 -0.120 0.000 0.877 54 D CB 1.057 41.889 40.800 0.053 0.000 1.187 54 D HN 0.515 nan 8.370 nan 0.000 0.451 55 G N 2.196 111.030 108.800 0.057 0.000 2.148 55 G HA2 -0.194 3.768 3.960 0.004 0.000 0.254 55 G HA3 -0.194 3.768 3.960 0.004 0.000 0.254 55 G C 0.115 175.195 174.900 0.300 0.000 0.981 55 G CA 0.334 45.540 45.100 0.176 0.000 0.670 55 G HN 0.560 nan 8.290 nan 0.000 0.528 56 V N 0.523 120.531 119.914 0.157 0.000 2.435 56 V HA 0.647 4.769 4.120 0.004 0.000 0.290 56 V C 0.416 176.509 176.094 -0.002 0.000 1.030 56 V CA -0.738 61.598 62.300 0.060 0.000 0.881 56 V CB 1.952 33.756 31.823 -0.033 0.000 0.983 56 V HN 0.254 nan 8.190 nan 0.000 0.445 57 V N 6.126 125.984 119.914 -0.095 0.000 2.459 57 V HA 0.521 4.644 4.120 0.004 0.000 0.295 57 V C -0.494 175.508 176.094 -0.153 0.000 1.029 57 V CA -0.622 61.545 62.300 -0.220 0.000 0.874 57 V CB 1.658 33.230 31.823 -0.419 0.000 0.985 57 V HN 0.645 nan 8.190 nan 0.000 0.438 58 L N 6.558 127.699 121.223 -0.138 0.000 2.356 58 L HA 0.712 5.054 4.340 0.004 0.000 0.277 58 L C -0.780 176.025 176.870 -0.107 0.000 0.996 58 L CA 0.141 54.919 54.840 -0.105 0.000 0.822 58 L CB 1.397 43.408 42.059 -0.081 0.000 1.256 58 L HN 0.561 nan 8.230 nan 0.000 0.413 59 I N 4.417 124.930 120.570 -0.095 0.000 2.530 59 I HA 0.780 4.953 4.170 0.004 0.000 0.297 59 I C -0.264 175.818 176.117 -0.059 0.000 1.011 59 I CA -0.575 60.674 61.300 -0.085 0.000 1.107 59 I CB 2.047 39.992 38.000 -0.092 0.000 1.285 59 I HN 0.715 nan 8.210 nan 0.000 0.436 60 A N 4.299 127.089 122.820 -0.051 0.000 2.343 60 A HA 0.535 4.858 4.320 0.004 0.000 0.316 60 A C 0.485 178.060 177.584 -0.015 0.000 1.104 60 A CA -0.509 51.509 52.037 -0.031 0.000 0.768 60 A CB 1.034 20.011 19.000 -0.037 0.000 1.213 60 A HN 0.727 nan 8.150 nan 0.000 0.456 61 E N 0.492 120.698 120.200 0.009 0.000 2.152 61 E HA -0.074 4.279 4.350 0.004 0.000 0.192 61 E C -0.080 176.578 176.600 0.097 0.000 0.983 61 E CA 1.340 57.760 56.400 0.034 0.000 0.818 61 E CB -0.025 29.691 29.700 0.027 0.000 0.758 61 E HN 0.760 nan 8.360 nan 0.000 0.467 62 H N -0.825 118.228 119.070 -0.027 0.000 2.954 62 H HA 0.304 4.864 4.556 0.007 0.000 0.361 62 H C -1.222 174.091 175.328 -0.025 0.000 1.122 62 H CA -0.478 55.555 56.048 -0.025 0.000 1.217 62 H CB 1.191 30.941 29.762 -0.021 0.000 1.776 62 H HN -0.237 nan 8.280 nan 0.000 0.533 63 Q N 2.767 122.272 119.800 -0.493 0.000 2.322 63 Q HA 0.295 4.637 4.340 0.004 0.000 0.265 63 Q C -0.128 175.643 176.000 -0.381 0.000 0.985 63 Q CA -0.902 54.712 55.803 -0.316 0.000 0.849 63 Q CB 1.646 30.251 28.738 -0.222 0.000 1.274 63 Q HN 0.869 nan 8.270 nan 0.000 0.449 78 A N 0.089 123.038 122.820 0.214 0.000 2.511 78 A HA 0.606 4.928 4.320 0.004 0.000 0.242 78 A C 1.673 179.315 177.584 0.097 0.000 1.069 78 A CA 1.512 53.702 52.037 0.255 0.000 0.763 78 A CB -1.084 17.853 19.000 -0.104 0.000 1.001 78 A HN 2.634 nan 8.150 nan 0.000 0.498 79 R N -0.210 120.344 120.500 0.090 0.000 3.954 79 R HA -0.111 4.232 4.340 0.004 0.000 0.422 79 R C 1.140 177.454 176.300 0.024 0.000 1.091 79 R CA 2.335 58.456 56.100 0.036 0.000 1.168 79 R CB -2.664 27.645 30.300 0.015 0.000 1.752 79 R HN 2.564 nan 8.270 nan 0.000 0.547 80 A N -0.729 122.111 122.820 0.033 0.000 2.348 80 A HA 0.473 4.796 4.320 0.004 0.000 0.224 80 A C 0.801 178.389 177.584 0.006 0.000 1.227 80 A CA 0.933 52.980 52.037 0.017 0.000 0.885 80 A CB 0.361 19.375 19.000 0.022 0.000 0.933 80 A HN 0.754 nan 8.150 nan 0.000 0.506 81 Q N -1.086 118.716 119.800 0.003 0.000 2.421 81 Q HA 0.575 4.918 4.340 0.004 0.000 0.280 81 Q C -1.728 174.260 176.000 -0.019 0.000 1.085 81 Q CA -0.692 55.104 55.803 -0.013 0.000 0.807 81 Q CB 2.388 31.112 28.738 -0.024 0.000 1.405 81 Q HN 0.330 nan 8.270 nan 0.000 0.419 82 I N 2.360 122.914 120.570 -0.027 0.000 2.297 82 I HA 0.269 4.441 4.170 0.004 0.000 0.291 82 I C -0.808 175.281 176.117 -0.046 0.000 1.033 82 I CA 0.027 61.305 61.300 -0.036 0.000 1.253 82 I CB 0.702 38.679 38.000 -0.037 0.000 1.396 82 I HN 0.361 nan 8.210 nan 0.000 0.476 83 I N 8.385 128.923 120.570 -0.053 0.000 2.382 83 I HA 0.437 4.609 4.170 0.004 0.000 0.286 83 I C -0.629 175.444 176.117 -0.072 0.000 1.002 83 I CA -0.477 60.785 61.300 -0.063 0.000 1.135 83 I CB 1.072 39.031 38.000 -0.068 0.000 1.288 83 I HN 0.359 nan 8.210 nan 0.000 0.448 84 L N 3.000 124.174 121.223 -0.081 0.000 2.341 84 L HA 0.912 5.254 4.340 0.004 0.000 0.254 84 L C -0.571 176.241 176.870 -0.096 0.000 1.040 84 L CA -0.452 54.328 54.840 -0.100 0.000 0.837 84 L CB 2.171 44.150 42.059 -0.132 0.000 1.425 84 L HN 0.319 nan 8.230 nan 0.000 0.414 85 S N -0.053 115.583 115.700 -0.107 0.000 2.549 85 S HA 0.894 5.366 4.470 0.004 0.000 0.280 85 S C -0.830 173.708 174.600 -0.104 0.000 1.109 85 S CA -0.411 57.734 58.200 -0.092 0.000 0.905 85 S CB 2.145 65.299 63.200 -0.076 0.000 1.081 85 S HN 1.064 nan 8.310 nan 0.000 0.477 86 V N -0.606 119.267 119.914 -0.069 0.000 3.040 86 V HA 1.070 5.193 4.120 0.004 0.000 0.312 86 V C -0.050 176.040 176.094 -0.006 0.000 1.115 86 V CA -0.730 61.557 62.300 -0.022 0.000 0.998 86 V CB 1.547 33.408 31.823 0.063 0.000 1.042 86 V HN 0.982 nan 8.190 nan 0.000 0.433 87 G N 1.093 109.896 108.800 0.005 0.000 2.452 87 G HA2 0.711 4.674 3.960 0.004 0.000 0.324 87 G HA3 0.711 4.674 3.960 0.004 0.000 0.324 87 G C -1.180 173.704 174.900 -0.027 0.000 1.214 87 G CA -0.781 44.270 45.100 -0.080 0.000 0.947 87 G HN 1.349 nan 8.290 nan 0.000 0.478 88 V N 0.857 120.763 119.914 -0.013 0.000 2.841 88 V HA 0.538 4.661 4.120 0.004 0.000 0.310 88 V C -0.049 176.162 176.094 0.195 0.000 1.090 88 V CA -1.207 61.127 62.300 0.056 0.000 0.930 88 V CB 2.023 33.853 31.823 0.013 0.000 1.014 88 V HN 0.785 nan 8.190 nan 0.000 0.425 89 R N 1.812 122.463 120.500 0.252 0.000 2.216 89 R HA 0.417 4.759 4.340 0.004 0.000 0.332 89 R C 0.652 177.011 176.300 0.099 0.000 1.056 89 R CA 0.012 56.277 56.100 0.275 0.000 0.901 89 R CB 1.412 31.857 30.300 0.242 0.000 1.039 89 R HN 0.840 nan 8.270 nan 0.000 0.456 90 V N 1.788 121.663 119.914 -0.065 0.000 3.644 90 V HA 0.029 4.151 4.120 0.004 0.000 0.267 90 V C 1.628 177.706 176.094 -0.027 0.000 1.277 90 V CA 0.282 62.483 62.300 -0.166 0.000 1.096 90 V CB 0.438 31.745 31.823 -0.860 0.000 0.828 90 V HN 0.515 nan 8.190 nan 0.000 0.446 91 V N 3.503 123.416 119.914 -0.002 0.000 2.867 91 V HA -0.182 3.940 4.120 0.004 0.000 0.260 91 V C 2.025 178.224 176.094 0.176 0.000 1.099 91 V CA 2.488 64.881 62.300 0.155 0.000 1.122 91 V CB -0.565 31.275 31.823 0.028 0.000 0.708 91 V HN 0.940 nan 8.190 nan 0.000 0.490 92 D N -1.211 119.256 120.400 0.112 0.000 2.342 92 D HA 0.060 4.703 4.640 0.004 0.000 0.221 92 D C 0.350 176.690 176.300 0.066 0.000 1.101 92 D CA 0.149 54.191 54.000 0.070 0.000 0.837 92 D CB 0.529 41.345 40.800 0.026 0.000 0.938 92 D HN 0.367 nan 8.370 nan 0.000 0.508 93 V N 0.865 120.878 119.914 0.164 0.000 2.769 93 V HA 0.344 4.466 4.120 0.004 0.000 0.312 93 V C -2.352 173.907 176.094 0.275 0.000 1.061 93 V CA -2.021 60.355 62.300 0.126 0.000 0.931 93 V CB 2.352 34.191 31.823 0.026 0.000 1.010 93 V HN -0.139 nan 8.190 nan 0.000 0.433 94 P HA 0.098 nan 4.420 nan 0.000 0.268 94 P C 0.860 178.057 177.300 -0.173 0.000 1.204 94 P CA 0.069 63.164 63.100 -0.008 0.000 0.768 94 P CB 0.691 32.370 31.700 -0.034 0.000 0.842 95 V N 2.967 122.603 119.914 -0.463 0.000 2.867 95 V HA -0.224 3.898 4.120 0.004 0.000 0.260 95 V C 2.000 177.675 176.094 -0.699 0.000 1.099 95 V CA 1.629 63.235 62.300 -1.157 0.000 1.122 95 V CB -1.280 29.992 31.823 -0.918 0.000 0.708 95 V HN 0.651 nan 8.190 nan 0.000 0.490 96 Q N 0.597 120.233 119.800 -0.274 0.000 2.403 96 Q HA 0.206 4.549 4.340 0.004 0.000 0.203 96 Q C 1.537 177.598 176.000 0.101 0.000 0.932 96 Q CA 1.099 56.857 55.803 -0.076 0.000 0.945 96 Q CB 0.129 28.845 28.738 -0.037 0.000 1.045 96 Q HN 0.565 nan 8.270 nan 0.000 0.511 97 A N -0.458 122.473 122.820 0.185 0.000 2.390 97 A HA 0.168 4.491 4.320 0.004 0.000 0.232 97 A C 0.850 178.962 177.584 0.879 0.000 1.233 97 A CA -0.498 51.821 52.037 0.469 0.000 0.907 97 A CB -0.362 18.815 19.000 0.295 0.000 0.967 97 A HN 0.291 nan 8.150 nan 0.000 0.512 98 W N 0.473 122.039 121.300 0.443 0.000 2.374 98 W HA 0.006 4.643 4.660 -0.038 0.000 0.288 98 W C 2.168 178.807 176.519 0.200 0.000 1.218 98 W CA 0.591 58.167 57.345 0.387 0.000 1.245 98 W CB -1.259 28.342 29.460 0.234 0.000 1.126 98 W HN 0.396 nan 8.180 nan 0.000 0.545 99 G N -1.336 107.704 108.800 0.400 0.000 2.470 99 G HA2 -0.254 3.708 3.960 0.004 0.000 0.220 99 G HA3 -0.254 3.708 3.960 0.004 0.000 0.220 99 G C 1.133 176.077 174.900 0.075 0.000 1.121 99 G CA 0.411 45.612 45.100 0.169 0.000 0.766 99 G HN 0.272 nan 8.290 nan 0.000 0.553 100 W N -0.409 120.986 121.300 0.158 0.000 2.905 100 W HA 0.351 5.021 4.660 0.016 0.000 0.251 100 W C 2.132 178.546 176.519 -0.177 0.000 1.305 100 W CA -0.561 56.826 57.345 0.070 0.000 1.465 100 W CB 0.116 29.739 29.460 0.271 0.000 1.122 100 W HN 0.141 nan 8.180 nan 0.000 0.659 101 L N 0.398 121.478 121.223 -0.237 0.000 2.056 101 L HA -0.211 4.131 4.340 0.004 0.000 0.207 101 L C 2.746 179.457 176.870 -0.265 0.000 1.078 101 L CA 2.356 56.854 54.840 -0.569 0.000 0.749 101 L CB -1.022 40.547 42.059 -0.817 0.000 0.901 101 L HN -0.025 nan 8.230 nan 0.000 0.433 102 S N -1.133 114.456 115.700 -0.185 0.000 2.423 102 S HA -0.136 4.336 4.470 0.004 0.000 0.231 102 S C 1.964 176.499 174.600 -0.107 0.000 1.014 102 S CA 1.112 59.227 58.200 -0.142 0.000 0.965 102 S CB -0.539 62.569 63.200 -0.154 0.000 0.785 102 S HN 0.475 nan 8.310 nan 0.000 0.495 103 L N 0.977 122.117 121.223 -0.138 0.000 2.072 103 L HA 0.079 4.421 4.340 0.004 0.000 0.205 103 L C 3.240 180.206 176.870 0.160 0.000 1.079 103 L CA 1.113 55.891 54.840 -0.104 0.000 0.752 103 L CB -1.023 40.684 42.059 -0.586 0.000 0.906 103 L HN 0.458 nan 8.230 nan 0.000 0.436 104 A N 0.443 123.359 122.820 0.160 0.000 1.933 104 A HA -0.147 4.175 4.320 0.004 0.000 0.218 104 A C 2.561 180.224 177.584 0.132 0.000 1.175 104 A CA 1.709 53.867 52.037 0.201 0.000 0.628 104 A CB -0.583 18.500 19.000 0.139 0.000 0.814 104 A HN 0.397 nan 8.150 nan 0.000 0.444 105 A N -0.454 122.400 122.820 0.056 0.000 1.902 105 A HA 0.123 4.445 4.320 0.004 0.000 0.217 105 A C 2.406 180.030 177.584 0.067 0.000 1.181 105 A CA 1.897 53.960 52.037 0.043 0.000 0.623 105 A CB -1.348 17.648 19.000 -0.007 0.000 0.818 105 A HN 0.718 nan 8.150 nan 0.000 0.443 106 G N -0.376 108.478 108.800 0.091 0.000 2.422 106 G HA2 -0.125 3.838 3.960 0.004 0.000 0.218 106 G HA3 -0.125 3.838 3.960 0.004 0.000 0.218 106 G C 1.446 176.407 174.900 0.101 0.000 1.146 106 G CA 1.130 46.286 45.100 0.093 0.000 0.769 106 G HN 0.423 nan 8.290 nan 0.000 0.547 107 L N 1.477 122.797 121.223 0.163 0.000 2.079 107 L HA 0.084 4.426 4.340 0.004 0.000 0.210 107 L C 3.060 179.989 176.870 0.098 0.000 1.081 107 L CA 1.988 56.908 54.840 0.133 0.000 0.752 107 L CB -0.774 41.422 42.059 0.228 0.000 0.896 107 L HN 0.250 nan 8.230 nan 0.000 0.433 108 A N -1.463 121.418 122.820 0.102 0.000 1.933 108 A HA -0.137 4.185 4.320 0.004 0.000 0.218 108 A C 2.239 179.859 177.584 0.059 0.000 1.175 108 A CA 1.918 54.005 52.037 0.084 0.000 0.628 108 A CB -0.932 18.122 19.000 0.091 0.000 0.814 108 A HN 0.301 nan 8.150 nan 0.000 0.444 109 V N -0.450 119.493 119.914 0.048 0.000 2.358 109 V HA -0.197 3.926 4.120 0.004 0.000 0.246 109 V C 2.457 178.566 176.094 0.024 0.000 1.047 109 V CA 1.790 64.107 62.300 0.029 0.000 1.035 109 V CB -0.815 31.019 31.823 0.018 0.000 0.658 109 V HN 0.568 nan 8.190 nan 0.000 0.452 110 L N 0.360 121.599 121.223 0.025 0.000 2.046 110 L HA -0.161 4.182 4.340 0.004 0.000 0.208 110 L C 2.058 178.940 176.870 0.020 0.000 1.077 110 L CA 2.067 56.917 54.840 0.016 0.000 0.747 110 L CB -0.779 41.284 42.059 0.007 0.000 0.896 110 L HN 0.263 nan 8.230 nan 0.000 0.432 111 D N -0.852 119.567 120.400 0.031 0.000 2.117 111 D HA -0.158 4.485 4.640 0.004 0.000 0.197 111 D C 2.407 178.725 176.300 0.030 0.000 0.987 111 D CA 1.595 55.615 54.000 0.033 0.000 0.829 111 D CB -0.170 40.658 40.800 0.047 0.000 0.961 111 D HN 0.553 nan 8.370 nan 0.000 0.460 112 S N -0.670 115.049 115.700 0.031 0.000 2.474 112 S HA -0.047 4.425 4.470 0.004 0.000 0.235 112 S C 1.833 176.443 174.600 0.018 0.000 0.997 112 S CA 0.455 58.671 58.200 0.027 0.000 0.949 112 S CB 0.130 63.347 63.200 0.028 0.000 0.766 112 S HN 0.083 nan 8.310 nan 0.000 0.517 113 V N 0.361 120.284 119.914 0.015 0.000 3.635 113 V HA 0.411 4.533 4.120 0.004 0.000 0.266 113 V C 2.520 178.619 176.094 0.009 0.000 1.316 113 V CA 0.624 62.929 62.300 0.009 0.000 1.060 113 V CB 0.070 31.897 31.823 0.006 0.000 0.820 113 V HN 0.553 nan 8.190 nan 0.000 0.447 114 A N 1.088 123.914 122.820 0.011 0.000 1.933 114 A HA -0.048 4.274 4.320 0.004 0.000 0.218 114 A C 0.248 177.837 177.584 0.009 0.000 1.175 114 A CA 1.776 53.819 52.037 0.009 0.000 0.628 114 A CB -1.612 17.394 19.000 0.010 0.000 0.814 114 A HN 0.513 nan 8.150 nan 0.000 0.444 115 P HA -0.109 nan 4.420 nan 0.000 0.218 115 P C 0.972 178.277 177.300 0.008 0.000 1.148 115 P CA 1.012 64.118 63.100 0.010 0.000 0.822 115 P CB -0.173 31.534 31.700 0.012 0.000 0.784 116 L N -4.796 116.432 121.223 0.007 0.000 2.728 116 L HA 0.381 4.724 4.340 0.004 0.000 0.235 116 L C 0.285 177.157 176.870 0.004 0.000 1.197 116 L CA 0.069 54.913 54.840 0.005 0.000 0.992 116 L CB -0.323 41.739 42.059 0.005 0.000 1.263 116 L HN -0.244 nan 8.230 nan 0.000 0.484 117 I N 0.620 121.193 120.570 0.005 0.000 2.433 117 I HA 0.569 4.742 4.170 0.004 0.000 0.292 117 I C 1.298 177.417 176.117 0.004 0.000 1.001 117 I CA -0.585 60.718 61.300 0.004 0.000 1.119 117 I CB 1.925 39.928 38.000 0.004 0.000 1.289 117 I HN 0.094 nan 8.210 nan 0.000 0.438 118 A N 6.746 129.568 122.820 0.003 0.000 1.933 118 A HA 0.116 4.439 4.320 0.004 0.000 0.218 118 A C 1.201 178.787 177.584 0.004 0.000 1.175 118 A CA 1.568 53.607 52.037 0.003 0.000 0.628 118 A CB -1.154 17.848 19.000 0.003 0.000 0.814 118 A HN 0.723 nan 8.150 nan 0.000 0.444 119 V N -0.271 119.645 119.914 0.004 0.000 3.237 119 V HA 0.406 4.528 4.120 0.004 0.000 0.305 119 V C -2.175 173.921 176.094 0.004 0.000 1.096 119 V CA -1.486 60.816 62.300 0.004 0.000 1.130 119 V CB -0.434 31.392 31.823 0.005 0.000 1.048 119 V HN 0.216 nan 8.190 nan 0.000 0.484 120 P HA 0.299 nan 4.420 nan 0.000 0.275 120 P C -2.126 175.177 177.300 0.004 0.000 1.227 120 P CA -1.335 61.768 63.100 0.004 0.000 0.781 120 P CB 0.365 32.068 31.700 0.004 0.000 0.906 121 P HA -0.168 nan 4.420 nan 0.000 0.219 121 P C 1.073 178.374 177.300 0.002 0.000 1.146 121 P CA 1.411 64.512 63.100 0.003 0.000 0.808 121 P CB -0.296 31.406 31.700 0.004 0.000 0.779 122 A N -0.223 122.598 122.820 0.002 0.000 2.121 122 A HA -0.077 4.245 4.320 0.004 0.000 0.218 122 A C 2.143 179.729 177.584 0.002 0.000 1.154 122 A CA 1.820 53.858 52.037 0.001 0.000 0.679 122 A CB -1.200 17.800 19.000 0.001 0.000 0.795 122 A HN 0.291 nan 8.150 nan 0.000 0.458 123 E N -0.236 119.967 120.200 0.004 0.000 2.478 123 E HA 0.224 4.577 4.350 0.004 0.000 0.194 123 E C 0.884 177.490 176.600 0.010 0.000 1.045 123 E CA 0.830 57.235 56.400 0.008 0.000 0.868 123 E CB -0.668 29.037 29.700 0.008 0.000 0.885 123 E HN 0.741 nan 8.360 nan 0.000 0.505 124 T N -3.499 111.059 114.554 0.006 0.000 2.863 124 T HA 0.729 5.081 4.350 0.004 0.000 0.285 124 T C 0.311 175.011 174.700 0.000 0.000 1.009 124 T CA -0.118 61.986 62.100 0.006 0.000 0.989 124 T CB 1.853 70.724 68.868 0.004 0.000 1.004 124 T HN 0.688 nan 8.240 nan 0.000 0.455 125 G N 1.282 110.082 108.800 0.001 0.000 2.489 125 G HA2 0.541 4.503 3.960 0.004 0.000 0.305 125 G HA3 0.541 4.503 3.960 0.004 0.000 0.305 125 G C -1.919 172.971 174.900 -0.017 0.000 1.311 125 G CA -1.101 43.989 45.100 -0.017 0.000 0.813 125 G HN 0.891 nan 8.290 nan 0.000 0.480 126 L N 0.608 121.797 121.223 -0.057 0.000 2.295 126 L HA 0.592 4.935 4.340 0.004 0.000 0.285 126 L C 0.060 176.970 176.870 0.068 0.000 1.035 126 L CA -0.800 54.011 54.840 -0.048 0.000 0.806 126 L CB 1.897 43.795 42.059 -0.267 0.000 1.214 126 L HN 0.582 nan 8.230 nan 0.000 0.426 127 K N 2.983 123.456 120.400 0.123 0.000 2.307 127 K HA 0.201 4.523 4.320 0.004 0.000 0.263 127 K C -1.014 175.729 176.600 0.238 0.000 0.973 127 K CA -0.566 55.847 56.287 0.210 0.000 0.846 127 K CB 1.035 33.596 32.500 0.102 0.000 1.100 127 K HN 0.467 nan 8.250 nan 0.000 0.438 128 W N 7.847 129.234 121.300 0.145 0.000 2.251 128 W HA 0.193 4.871 4.660 0.030 0.000 0.327 128 W C -2.075 174.467 176.519 0.038 0.000 1.361 128 W CA -1.347 56.064 57.345 0.110 0.000 1.234 128 W CB 1.133 30.653 29.460 0.100 0.000 1.212 128 W HN 0.620 nan 8.180 nan 0.000 0.557 129 P HA 0.161 nan 4.420 nan 0.000 0.286 129 P C -0.116 176.970 177.300 -0.356 0.000 1.269 129 P CA 0.750 63.313 63.100 -0.895 0.000 0.908 129 P CB 0.933 31.781 31.700 -1.420 0.000 1.395 130 N N -0.612 117.943 118.700 -0.242 0.000 2.250 130 N HA 0.072 4.814 4.740 0.004 0.000 0.190 130 N C -0.313 175.156 175.510 -0.069 0.000 1.116 130 N CA -0.049 52.913 53.050 -0.147 0.000 0.881 130 N CB 0.413 38.808 38.487 -0.154 0.000 1.006 130 N HN -0.003 nan 8.380 nan 0.000 0.491 131 D N 0.663 121.042 120.400 -0.036 0.000 2.350 131 D HA 0.283 4.925 4.640 0.004 0.000 0.245 131 D C -0.655 175.649 176.300 0.007 0.000 1.036 131 D CA -0.368 53.620 54.000 -0.019 0.000 0.848 131 D CB 2.970 43.751 40.800 -0.030 0.000 1.307 131 D HN -0.284 nan 8.370 nan 0.000 0.469 132 V N 2.380 122.294 119.914 0.001 0.000 2.398 132 V HA 0.338 4.460 4.120 0.004 0.000 0.286 132 V C -0.448 175.648 176.094 0.003 0.000 1.026 132 V CA -0.686 61.617 62.300 0.005 0.000 0.868 132 V CB 1.398 33.223 31.823 0.003 0.000 0.982 132 V HN 0.307 nan 8.190 nan 0.000 0.443 133 L N 4.134 125.363 121.223 0.010 0.000 2.346 133 L HA 0.876 5.219 4.340 0.004 0.000 0.274 133 L C 0.161 177.038 176.870 0.011 0.000 1.007 133 L CA -0.593 54.254 54.840 0.012 0.000 0.818 133 L CB 1.700 43.774 42.059 0.026 0.000 1.284 133 L HN 0.771 nan 8.230 nan 0.000 0.424 134 A N 1.426 124.251 122.820 0.008 0.000 2.335 134 A HA 0.618 4.941 4.320 0.004 0.000 0.304 134 A C 0.480 178.070 177.584 0.009 0.000 1.118 134 A CA -0.579 51.463 52.037 0.008 0.000 0.757 134 A CB 1.095 20.098 19.000 0.005 0.000 1.188 134 A HN 0.568 nan 8.150 nan 0.000 0.460 135 R N 1.146 121.653 120.500 0.012 0.000 3.627 135 R HA -0.203 4.139 4.340 0.004 0.000 0.281 135 R C 1.537 177.846 176.300 0.015 0.000 1.140 135 R CA 1.789 57.897 56.100 0.013 0.000 0.761 135 R CB -2.149 28.156 30.300 0.009 0.000 1.181 135 R HN 3.020 nan 8.270 nan 0.000 0.472 136 G N -3.734 105.079 108.800 0.021 0.000 2.175 136 G HA2 -0.167 3.796 3.960 0.004 0.000 0.244 136 G HA3 -0.167 3.796 3.960 0.004 0.000 0.244 136 G C 0.364 175.270 174.900 0.010 0.000 0.982 136 G CA 0.098 45.212 45.100 0.023 0.000 0.641 136 G HN 1.593 nan 8.290 nan 0.000 0.527 137 G N -0.434 108.369 108.800 0.005 0.000 2.448 137 G HA2 0.600 4.563 3.960 0.004 0.000 0.324 137 G HA3 0.600 4.563 3.960 0.004 0.000 0.324 137 G C -0.387 174.509 174.900 -0.006 0.000 1.203 137 G CA -0.260 44.838 45.100 -0.003 0.000 0.954 137 G HN 0.435 nan 8.290 nan 0.000 0.480 138 K N 1.983 122.375 120.400 -0.013 0.000 2.336 138 K HA 0.128 4.450 4.320 0.004 0.000 0.290 138 K C 1.000 177.592 176.600 -0.013 0.000 1.067 138 K CA -0.532 55.745 56.287 -0.016 0.000 0.962 138 K CB 0.580 33.065 32.500 -0.024 0.000 1.008 138 K HN 0.313 nan 8.250 nan 0.000 0.467 139 L N 4.392 125.610 121.223 -0.010 0.000 2.072 139 L HA 0.114 4.456 4.340 0.004 0.000 0.205 139 L C 0.200 177.062 176.870 -0.013 0.000 1.079 139 L CA 1.723 56.557 54.840 -0.009 0.000 0.752 139 L CB -0.102 41.954 42.059 -0.005 0.000 0.906 139 L HN 0.754 nan 8.230 nan 0.000 0.436 140 A N -2.423 120.388 122.820 -0.015 0.000 2.587 140 A HA 0.741 5.064 4.320 0.004 0.000 0.293 140 A C -0.545 177.024 177.584 -0.025 0.000 1.087 140 A CA -0.041 51.984 52.037 -0.020 0.000 0.692 140 A CB 0.900 19.890 19.000 -0.015 0.000 1.291 140 A HN 0.208 nan 8.150 nan 0.000 0.407 141 G N 0.092 108.872 108.800 -0.033 0.000 2.519 141 G HA2 0.618 4.581 3.960 0.004 0.000 0.307 141 G HA3 0.618 4.581 3.960 0.004 0.000 0.307 141 G C -1.103 173.769 174.900 -0.046 0.000 1.266 141 G CA -0.484 44.590 45.100 -0.042 0.000 0.970 141 G HN 0.518 nan 8.290 nan 0.000 0.481 142 I N 0.934 121.471 120.570 -0.056 0.000 2.474 142 I HA 0.470 4.642 4.170 0.004 0.000 0.294 142 I C -1.032 175.039 176.117 -0.077 0.000 1.005 142 I CA -0.996 60.267 61.300 -0.061 0.000 1.113 142 I CB 1.681 39.645 38.000 -0.059 0.000 1.289 142 I HN 0.303 nan 8.210 nan 0.000 0.436 143 L N 5.801 126.981 121.223 -0.072 0.000 2.415 143 L HA 0.717 5.059 4.340 0.004 0.000 0.268 143 L C -0.374 176.454 176.870 -0.070 0.000 0.984 143 L CA -0.277 54.520 54.840 -0.073 0.000 0.853 143 L CB 1.256 43.278 42.059 -0.062 0.000 1.215 143 L HN 0.694 nan 8.230 nan 0.000 0.419 144 A N 4.415 127.190 122.820 -0.076 0.000 2.274 144 A HA 0.752 5.075 4.320 0.004 0.000 0.309 144 A C -0.447 177.111 177.584 -0.043 0.000 1.226 144 A CA -0.431 51.566 52.037 -0.067 0.000 0.853 144 A CB 0.442 19.393 19.000 -0.081 0.000 1.146 144 A HN 0.713 nan 8.150 nan 0.000 0.518 145 E N 1.181 121.363 120.200 -0.031 0.000 2.187 145 E HA 0.436 4.788 4.350 0.004 0.000 0.268 145 E C -0.883 175.721 176.600 0.006 0.000 0.896 145 E CA -0.731 55.664 56.400 -0.008 0.000 0.766 145 E CB 2.390 32.085 29.700 -0.009 0.000 1.142 145 E HN 0.552 nan 8.360 nan 0.000 0.408 146 V N 0.873 120.809 119.914 0.036 0.000 2.612 146 V HA 0.866 4.988 4.120 0.004 0.000 0.301 146 V C -0.813 175.321 176.094 0.065 0.000 1.046 146 V CA -0.273 62.058 62.300 0.052 0.000 0.946 146 V CB 1.309 33.206 31.823 0.124 0.000 1.003 146 V HN 0.749 nan 8.190 nan 0.000 0.459 147 A N 5.529 128.387 122.820 0.063 0.000 2.839 147 A HA 0.445 4.768 4.320 0.004 0.000 0.303 147 A C -0.362 177.251 177.584 0.049 0.000 1.181 147 A CA -0.715 51.366 52.037 0.072 0.000 0.808 147 A CB 0.498 19.550 19.000 0.086 0.000 1.391 147 A HN 0.967 nan 8.150 nan 0.000 0.433 148 Q N 2.404 122.217 119.800 0.022 0.000 2.349 148 Q HA 0.185 4.527 4.340 0.004 0.000 0.287 148 Q C -1.791 174.090 176.000 -0.198 0.000 1.044 148 Q CA -0.969 54.791 55.803 -0.072 0.000 0.918 148 Q CB 0.689 29.450 28.738 0.037 0.000 1.242 148 Q HN 0.445 nan 8.270 nan 0.000 0.405 149 P HA 0.189 nan 4.420 nan 0.000 0.258 149 P C -0.866 176.086 177.300 -0.579 0.000 1.416 149 P CA 0.266 63.052 63.100 -0.523 0.000 0.927 149 P CB 0.112 31.434 31.700 -0.630 0.000 1.444 150 F N -1.025 118.863 119.950 -0.104 0.000 2.579 150 F HA 0.496 5.021 4.527 -0.003 0.000 0.324 150 F C 0.279 175.964 175.800 -0.191 0.000 1.058 150 F CA -1.472 56.446 58.000 -0.138 0.000 0.944 150 F CB 1.996 40.954 39.000 -0.071 0.000 1.245 150 F HN -0.448 nan 8.300 nan 0.000 0.477 151 V N 2.114 122.037 119.914 0.015 0.000 2.680 151 V HA 0.490 4.612 4.120 0.004 0.000 0.309 151 V C -0.844 175.229 176.094 -0.035 0.000 1.052 151 V CA -0.841 61.421 62.300 -0.064 0.000 0.908 151 V CB 2.180 33.894 31.823 -0.181 0.000 1.001 151 V HN 0.458 nan 8.190 nan 0.000 0.431 152 V N 5.817 125.710 119.914 -0.035 0.000 2.357 152 V HA 0.455 4.577 4.120 0.004 0.000 0.284 152 V C -0.223 175.837 176.094 -0.056 0.000 1.018 152 V CA -0.465 61.807 62.300 -0.045 0.000 0.841 152 V CB 1.364 33.165 31.823 -0.037 0.000 0.991 152 V HN 0.593 nan 8.190 nan 0.000 0.437 153 L N 4.606 125.794 121.223 -0.059 0.000 2.275 153 L HA 0.742 5.084 4.340 0.004 0.000 0.288 153 L C 0.785 177.621 176.870 -0.056 0.000 1.046 153 L CA -0.087 54.716 54.840 -0.061 0.000 0.805 153 L CB 1.402 43.426 42.059 -0.059 0.000 1.193 153 L HN 0.759 nan 8.230 nan 0.000 0.426 154 G N 2.850 111.615 108.800 -0.058 0.000 2.461 154 G HA2 0.614 4.577 3.960 0.004 0.000 0.323 154 G HA3 0.614 4.577 3.960 0.004 0.000 0.323 154 G C -1.158 173.708 174.900 -0.057 0.000 1.229 154 G CA -0.324 44.741 45.100 -0.059 0.000 0.941 154 G HN 0.299 nan 8.290 nan 0.000 0.477 155 V N 0.898 120.777 119.914 -0.058 0.000 2.604 155 V HA 0.843 4.966 4.120 0.004 0.000 0.305 155 V C 0.449 176.511 176.094 -0.053 0.000 1.043 155 V CA -0.473 61.797 62.300 -0.051 0.000 0.888 155 V CB 2.033 33.828 31.823 -0.047 0.000 0.995 155 V HN 1.020 nan 8.190 nan 0.000 0.429 156 G N 3.838 112.610 108.800 -0.047 0.000 2.644 156 G HA2 0.624 4.587 3.960 0.004 0.000 0.300 156 G HA3 0.624 4.587 3.960 0.004 0.000 0.300 156 G C -1.616 173.261 174.900 -0.037 0.000 1.395 156 G CA -0.440 44.633 45.100 -0.046 0.000 0.964 156 G HN 0.623 nan 8.290 nan 0.000 0.511 157 L N 2.140 123.343 121.223 -0.034 0.000 2.333 157 L HA 0.551 4.893 4.340 0.004 0.000 0.280 157 L C -0.885 175.972 176.870 -0.022 0.000 1.004 157 L CA -1.061 53.764 54.840 -0.025 0.000 0.820 157 L CB 1.525 43.571 42.059 -0.022 0.000 1.247 157 L HN 0.340 nan 8.230 nan 0.000 0.416 158 N N 4.670 123.359 118.700 -0.019 0.000 2.402 158 N HA 0.139 4.881 4.740 0.004 0.000 0.259 158 N C 0.822 176.325 175.510 -0.010 0.000 1.167 158 N CA -0.103 52.938 53.050 -0.015 0.000 0.949 158 N CB 1.479 39.958 38.487 -0.014 0.000 1.212 158 N HN 0.582 nan 8.380 nan 0.000 0.493 159 V N 1.052 120.961 119.914 -0.009 0.000 2.326 159 V HA -0.002 4.120 4.120 0.004 0.000 0.238 159 V C 1.452 177.543 176.094 -0.004 0.000 1.038 159 V CA 1.287 63.583 62.300 -0.007 0.000 1.032 159 V CB -0.522 31.296 31.823 -0.007 0.000 0.675 159 V HN 0.751 nan 8.190 nan 0.000 0.467 160 T N -1.210 113.342 114.554 -0.002 0.000 3.466 160 T HA 0.656 5.009 4.350 0.004 0.000 0.297 160 T C -0.209 174.492 174.700 0.002 0.000 1.640 160 T CA 0.289 62.389 62.100 -0.000 0.000 1.631 160 T CB 0.255 69.123 68.868 0.000 0.000 0.928 160 T HN 0.564 nan 8.240 nan 0.000 0.688 169 D N 1.297 121.691 120.400 -0.011 0.000 2.494 169 D HA 0.565 5.208 4.640 0.004 0.000 0.217 169 D C -0.109 176.184 176.300 -0.011 0.000 1.153 169 D CA -0.263 53.731 54.000 -0.009 0.000 0.954 169 D CB 0.511 41.306 40.800 -0.008 0.000 1.034 169 D HN 0.710 nan 8.370 nan 0.000 0.518 170 A N 1.313 124.127 122.820 -0.010 0.000 2.483 170 A HA 0.859 5.181 4.320 0.004 0.000 0.286 170 A C -0.327 177.252 177.584 -0.008 0.000 1.207 170 A CA -0.741 51.289 52.037 -0.011 0.000 0.764 170 A CB 2.173 21.165 19.000 -0.014 0.000 1.341 170 A HN 0.355 nan 8.150 nan 0.000 0.428 171 T N -0.814 113.735 114.554 -0.008 0.000 2.841 171 T HA 0.754 5.106 4.350 0.004 0.000 0.296 171 T C -0.989 173.708 174.700 -0.006 0.000 1.166 171 T CA 0.303 62.400 62.100 -0.005 0.000 1.007 171 T CB 1.367 70.233 68.868 -0.003 0.000 1.253 171 T HN 1.825 nan 8.240 nan 0.000 0.511 172 S N 0.743 116.440 115.700 -0.004 0.000 2.596 172 S HA 0.500 4.972 4.470 0.004 0.000 0.270 172 S C 0.918 175.516 174.600 -0.003 0.000 1.155 172 S CA -0.962 57.235 58.200 -0.005 0.000 0.827 172 S CB 0.822 64.019 63.200 -0.004 0.000 1.130 172 S HN 0.610 nan 8.310 nan 0.000 0.467 173 L N 0.447 121.668 121.223 -0.003 0.000 2.187 173 L HA -0.087 4.256 4.340 0.004 0.000 0.213 173 L C 2.190 179.059 176.870 -0.001 0.000 1.100 173 L CA 0.916 55.755 54.840 -0.002 0.000 0.765 173 L CB -0.589 41.469 42.059 -0.003 0.000 0.904 173 L HN 0.656 nan 8.230 nan 0.000 0.437 174 L N 0.258 121.480 121.223 -0.002 0.000 2.027 174 L HA -0.205 4.137 4.340 0.004 0.000 0.206 174 L C 1.912 178.781 176.870 -0.001 0.000 1.074 174 L CA 1.861 56.700 54.840 -0.001 0.000 0.745 174 L CB -0.586 41.473 42.059 -0.001 0.000 0.898 174 L HN 0.226 nan 8.230 nan 0.000 0.433 175 D N -0.826 119.573 120.400 -0.001 0.000 2.309 175 D HA -0.139 4.504 4.640 0.004 0.000 0.212 175 D C 1.895 178.195 176.300 0.000 0.000 0.968 175 D CA 0.973 54.973 54.000 -0.000 0.000 0.882 175 D CB -0.142 40.658 40.800 -0.001 0.000 0.918 175 D HN 0.333 nan 8.370 nan 0.000 0.503 176 L N -0.782 120.441 121.223 0.000 0.000 2.628 176 L HA 0.288 4.630 4.340 0.004 0.000 0.229 176 L C 1.442 178.312 176.870 0.001 0.000 1.137 176 L CA 0.155 54.996 54.840 0.001 0.000 0.909 176 L CB 0.170 42.229 42.059 0.001 0.000 1.137 176 L HN 0.177 nan 8.230 nan 0.000 0.470 177 G N -0.383 108.418 108.800 0.001 0.000 2.176 177 G HA2 -0.242 3.720 3.960 0.004 0.000 0.232 177 G HA3 -0.242 3.720 3.960 0.004 0.000 0.232 177 G C 0.256 175.156 174.900 0.001 0.000 0.986 177 G CA -0.057 45.044 45.100 0.001 0.000 0.643 177 G HN 0.065 nan 8.290 nan 0.000 0.522 178 V N 1.787 121.702 119.914 0.000 0.000 2.381 178 V HA 0.522 4.644 4.120 0.004 0.000 0.257 178 V C 1.752 177.845 176.094 -0.000 0.000 1.057 178 V CA 0.724 63.024 62.300 0.000 0.000 1.013 178 V CB 0.264 32.087 31.823 -0.000 0.000 1.069 178 V HN 0.764 nan 8.190 nan 0.000 0.484 179 A N 4.534 127.353 122.820 -0.000 0.000 1.877 179 A HA 0.308 4.631 4.320 0.004 0.000 0.216 179 A C 1.345 178.929 177.584 -0.001 0.000 1.186 179 A CA 1.459 53.495 52.037 -0.001 0.000 0.620 179 A CB -0.016 18.984 19.000 -0.000 0.000 0.822 179 A HN 1.151 nan 8.150 nan 0.000 0.443 180 A N 0.122 122.941 122.820 -0.001 0.000 2.375 180 A HA 0.643 4.965 4.320 0.004 0.000 0.291 180 A C -2.994 174.589 177.584 -0.002 0.000 1.160 180 A CA -1.273 50.763 52.037 -0.002 0.000 0.747 180 A CB 0.566 19.565 19.000 -0.002 0.000 1.170 180 A HN 0.193 nan 8.150 nan 0.000 0.458 181 P HA 0.392 nan 4.420 nan 0.000 0.294 181 P C -1.190 176.108 177.300 -0.005 0.000 1.294 181 P CA -0.221 62.877 63.100 -0.003 0.000 0.827 181 P CB 1.143 32.841 31.700 -0.004 0.000 0.992 182 D N 2.212 122.609 120.400 -0.005 0.000 2.428 182 D HA 0.104 4.747 4.640 0.004 0.000 0.221 182 D C 0.958 177.252 176.300 -0.009 0.000 1.123 182 D CA -0.198 53.799 54.000 -0.006 0.000 0.869 182 D CB 0.646 41.443 40.800 -0.005 0.000 1.032 182 D HN 0.183 nan 8.370 nan 0.000 0.506 183 R N 2.406 122.900 120.500 -0.011 0.000 2.120 183 R HA -0.089 4.253 4.340 0.004 0.000 0.234 183 R C 1.549 177.837 176.300 -0.020 0.000 1.123 183 R CA 0.673 56.764 56.100 -0.016 0.000 0.975 183 R CB 0.142 30.433 30.300 -0.016 0.000 0.866 183 R HN 0.407 nan 8.270 nan 0.000 0.446 184 N N 0.760 119.449 118.700 -0.018 0.000 2.142 184 N HA -0.158 4.585 4.740 0.004 0.000 0.186 184 N C 1.804 177.302 175.510 -0.019 0.000 1.023 184 N CA 1.113 54.150 53.050 -0.021 0.000 0.852 184 N CB -0.093 38.384 38.487 -0.017 0.000 0.998 184 N HN 0.073 nan 8.380 nan 0.000 0.424 185 R N 1.343 121.835 120.500 -0.012 0.000 2.075 185 R HA 0.118 4.461 4.340 0.004 0.000 0.232 185 R C 2.196 178.491 176.300 -0.008 0.000 1.126 185 R CA 0.825 56.921 56.100 -0.007 0.000 0.963 185 R CB -0.417 29.881 30.300 -0.003 0.000 0.858 185 R HN 0.218 nan 8.270 nan 0.000 0.435 186 I N 0.103 120.667 120.570 -0.010 0.000 2.252 186 I HA -0.194 3.978 4.170 0.004 0.000 0.245 186 I C 2.288 178.393 176.117 -0.019 0.000 1.102 186 I CA 1.292 62.585 61.300 -0.011 0.000 1.385 186 I CB -0.629 37.363 38.000 -0.012 0.000 1.064 186 I HN 0.277 nan 8.210 nan 0.000 0.414 187 A N 0.003 122.804 122.820 -0.031 0.000 1.933 187 A HA -0.219 4.103 4.320 0.004 0.000 0.218 187 A C 2.528 180.078 177.584 -0.056 0.000 1.175 187 A CA 2.211 54.217 52.037 -0.052 0.000 0.628 187 A CB -0.724 18.238 19.000 -0.063 0.000 0.814 187 A HN 0.367 nan 8.150 nan 0.000 0.444 188 S N -1.141 114.536 115.700 -0.039 0.000 2.356 188 S HA -0.147 4.325 4.470 0.004 0.000 0.223 188 S C 2.207 176.809 174.600 0.003 0.000 1.032 188 S CA 1.394 59.578 58.200 -0.026 0.000 1.005 188 S CB -0.296 62.897 63.200 -0.012 0.000 0.867 188 S HN 0.602 nan 8.310 nan 0.000 0.449 189 R N 0.254 120.759 120.500 0.009 0.000 2.081 189 R HA 0.038 4.380 4.340 0.004 0.000 0.235 189 R C 2.386 178.707 176.300 0.035 0.000 1.131 189 R CA 1.243 57.359 56.100 0.026 0.000 0.960 189 R CB -0.411 29.901 30.300 0.019 0.000 0.856 189 R HN 0.410 nan 8.270 nan 0.000 0.436 190 L N 0.712 121.944 121.223 0.015 0.000 2.046 190 L HA -0.198 4.144 4.340 0.004 0.000 0.208 190 L C 2.063 178.957 176.870 0.040 0.000 1.077 190 L CA 1.287 56.138 54.840 0.018 0.000 0.747 190 L CB -0.111 41.940 42.059 -0.013 0.000 0.896 190 L HN 0.279 nan 8.230 nan 0.000 0.432 191 L N -0.886 120.340 121.223 0.006 0.000 2.141 191 L HA -0.218 4.125 4.340 0.004 0.000 0.209 191 L C 2.817 179.866 176.870 0.297 0.000 1.094 191 L CA 0.925 55.787 54.840 0.038 0.000 0.763 191 L CB -0.499 41.423 42.059 -0.228 0.000 0.908 191 L HN 0.245 nan 8.230 nan 0.000 0.437 192 R N 0.040 120.662 120.500 0.202 0.000 2.073 192 R HA -0.145 4.197 4.340 0.004 0.000 0.234 192 R C 2.154 178.551 176.300 0.160 0.000 1.134 192 R CA 1.344 57.563 56.100 0.198 0.000 0.952 192 R CB -0.069 30.301 30.300 0.117 0.000 0.850 192 R HN 0.375 nan 8.270 nan 0.000 0.433 193 E N 0.788 121.063 120.200 0.126 0.000 2.106 193 E HA -0.191 4.161 4.350 0.004 0.000 0.192 193 E C 2.111 178.792 176.600 0.135 0.000 0.984 193 E CA 0.588 57.054 56.400 0.110 0.000 0.806 193 E CB -0.272 29.479 29.700 0.086 0.000 0.750 193 E HN 0.359 nan 8.360 nan 0.000 0.458 194 L N 1.087 122.419 121.223 0.181 0.000 2.083 194 L HA -0.172 4.171 4.340 0.004 0.000 0.209 194 L C 2.550 179.556 176.870 0.226 0.000 1.083 194 L CA 1.291 56.261 54.840 0.217 0.000 0.752 194 L CB -0.180 42.049 42.059 0.283 0.000 0.899 194 L HN 0.164 nan 8.230 nan 0.000 0.433 195 E N -0.220 120.131 120.200 0.252 0.000 2.072 195 E HA -0.224 4.128 4.350 0.004 0.000 0.191 195 E C 2.077 178.670 176.600 -0.012 0.000 0.985 195 E CA 1.197 57.592 56.400 -0.009 0.000 0.801 195 E CB 0.123 29.797 29.700 -0.044 0.000 0.750 195 E HN 0.534 nan 8.360 nan 0.000 0.452 196 A N 1.554 124.403 122.820 0.049 0.000 1.877 196 A HA -0.173 4.149 4.320 0.004 0.000 0.216 196 A C 2.107 179.732 177.584 0.067 0.000 1.186 196 A CA 1.172 53.237 52.037 0.046 0.000 0.620 196 A CB -0.339 18.697 19.000 0.060 0.000 0.822 196 A HN 0.087 nan 8.150 nan 0.000 0.443 197 R N 0.035 120.592 120.500 0.094 0.000 2.092 197 R HA 0.019 4.362 4.340 0.004 0.000 0.231 197 R C 1.954 178.347 176.300 0.154 0.000 1.119 197 R CA 1.176 57.350 56.100 0.124 0.000 0.970 197 R CB -0.905 29.475 30.300 0.134 0.000 0.864 197 R HN 0.648 nan 8.270 nan 0.000 0.440 198 I N 0.375 121.017 120.570 0.121 0.000 2.361 198 I HA -0.224 3.948 4.170 0.004 0.000 0.251 198 I C 2.335 178.578 176.117 0.211 0.000 1.133 198 I CA 1.177 62.576 61.300 0.165 0.000 1.413 198 I CB -0.440 37.595 38.000 0.058 0.000 1.073 198 I HN 0.046 nan 8.210 nan 0.000 0.424 199 I N 0.666 121.292 120.570 0.094 0.000 2.202 199 I HA -0.299 3.873 4.170 0.004 0.000 0.242 199 I C 2.748 178.908 176.117 0.072 0.000 1.091 199 I CA 1.433 62.767 61.300 0.057 0.000 1.368 199 I CB -0.176 37.827 38.000 0.006 0.000 1.058 199 I HN 0.267 nan 8.210 nan 0.000 0.410 200 Q N -0.757 119.099 119.800 0.092 0.000 2.084 200 Q HA -0.286 4.057 4.340 0.004 0.000 0.202 200 Q C 1.981 178.041 176.000 0.099 0.000 0.978 200 Q CA 2.128 57.975 55.803 0.073 0.000 0.844 200 Q CB -0.315 28.472 28.738 0.081 0.000 0.898 200 Q HN 0.633 nan 8.270 nan 0.000 0.426 201 W N 1.377 122.672 121.300 -0.008 0.000 2.358 201 W HA -0.117 4.549 4.660 0.010 0.000 0.303 201 W C 1.944 178.464 176.519 0.003 0.000 1.208 201 W CA 1.081 58.426 57.345 0.000 0.000 1.274 201 W CB -0.029 29.465 29.460 0.057 0.000 1.138 201 W HN -0.100 nan 8.180 nan 0.000 0.515 202 R N 0.070 120.521 120.500 -0.081 0.000 2.148 202 R HA -0.114 4.228 4.340 0.004 0.000 0.227 202 R C 0.822 176.962 176.300 -0.267 0.000 1.103 202 R CA 1.239 57.149 56.100 -0.318 0.000 0.983 202 R CB -0.404 29.860 30.300 -0.060 0.000 0.874 202 R HN 0.164 nan 8.270 nan 0.000 0.451 203 N N -0.027 118.576 118.700 -0.161 0.000 2.276 203 N HA 0.088 4.830 4.740 0.004 0.000 0.212 203 N C -0.225 175.198 175.510 -0.144 0.000 1.127 203 N CA 0.578 53.552 53.050 -0.127 0.000 0.834 203 N CB 1.120 39.564 38.487 -0.071 0.000 1.014 203 N HN 0.104 nan 8.380 nan 0.000 0.491 204 A N 0.659 123.353 122.820 -0.210 0.000 2.560 204 A HA -0.251 4.072 4.320 0.004 0.000 0.299 204 A C 0.211 177.711 177.584 -0.140 0.000 1.484 204 A CA 0.360 52.281 52.037 -0.192 0.000 0.749 204 A CB -2.189 16.713 19.000 -0.163 0.000 1.072 204 A HN 0.386 nan 8.150 nan 0.000 0.426 205 N N -0.132 118.497 118.700 -0.118 0.000 2.472 205 N HA 0.459 5.201 4.740 0.004 0.000 0.277 205 N C -1.394 174.049 175.510 -0.113 0.000 1.081 205 N CA -1.916 51.082 53.050 -0.086 0.000 0.973 205 N CB 1.176 39.636 38.487 -0.046 0.000 1.105 205 N HN 0.116 nan 8.380 nan 0.000 0.470 206 P HA 0.017 nan 4.420 nan 0.000 0.229 206 P C 0.872 178.125 177.300 -0.078 0.000 1.160 206 P CA 0.559 63.596 63.100 -0.106 0.000 0.777 206 P CB 0.518 32.177 31.700 -0.068 0.000 0.814 207 Q N -0.268 119.506 119.800 -0.044 0.000 2.167 207 Q HA -0.126 4.217 4.340 0.004 0.000 0.202 207 Q C 1.873 177.881 176.000 0.014 0.000 0.970 207 Q CA 1.030 56.830 55.803 -0.006 0.000 0.855 207 Q CB -1.119 27.623 28.738 0.007 0.000 0.911 207 Q HN 0.150 nan 8.270 nan 0.000 0.438 208 L N -0.227 120.987 121.223 -0.014 0.000 2.017 208 L HA -0.087 4.256 4.340 0.004 0.000 0.208 208 L C 2.004 178.903 176.870 0.049 0.000 1.073 208 L CA 2.189 57.050 54.840 0.036 0.000 0.745 208 L CB -0.845 41.225 42.059 0.019 0.000 0.894 208 L HN 0.198 nan 8.230 nan 0.000 0.432 209 A N -0.437 122.262 122.820 -0.201 0.000 1.902 209 A HA -0.085 4.238 4.320 0.004 0.000 0.217 209 A C 2.448 180.148 177.584 0.193 0.000 1.181 209 A CA 1.736 53.692 52.037 -0.136 0.000 0.623 209 A CB -1.199 17.541 19.000 -0.435 0.000 0.818 209 A HN 0.596 nan 8.150 nan 0.000 0.443 210 A N -0.033 122.844 122.820 0.094 0.000 1.902 210 A HA -0.179 4.143 4.320 0.004 0.000 0.217 210 A C 1.782 179.450 177.584 0.140 0.000 1.181 210 A CA 1.901 54.006 52.037 0.113 0.000 0.623 210 A CB -0.582 18.453 19.000 0.060 0.000 0.818 210 A HN 0.443 nan 8.150 nan 0.000 0.443 211 D N -1.774 118.711 120.400 0.141 0.000 2.144 211 D HA -0.149 4.493 4.640 0.004 0.000 0.199 211 D C 1.651 178.058 176.300 0.179 0.000 0.984 211 D CA 1.377 55.458 54.000 0.136 0.000 0.834 211 D CB -0.403 40.473 40.800 0.127 0.000 0.955 211 D HN 0.624 nan 8.370 nan 0.000 0.465 212 Y N 1.614 122.031 120.300 0.194 0.000 2.181 212 Y HA -0.154 4.401 4.550 0.009 0.000 0.288 212 Y C 2.294 178.311 175.900 0.195 0.000 1.146 212 Y CA 1.544 59.789 58.100 0.241 0.000 1.164 212 Y CB 0.139 38.859 38.460 0.434 0.000 0.982 212 Y HN -0.147 nan 8.280 nan 0.000 0.515 213 R N -0.281 120.436 120.500 0.362 0.000 2.092 213 R HA -0.121 4.222 4.340 0.004 0.000 0.231 213 R C 2.451 178.799 176.300 0.079 0.000 1.119 213 R CA 1.023 57.254 56.100 0.219 0.000 0.970 213 R CB -0.595 29.834 30.300 0.216 0.000 0.864 213 R HN 0.389 nan 8.270 nan 0.000 0.440 214 A N 1.430 124.290 122.820 0.066 0.000 2.019 214 A HA -0.122 4.200 4.320 0.004 0.000 0.219 214 A C 1.685 179.263 177.584 -0.010 0.000 1.164 214 A CA 1.078 53.132 52.037 0.029 0.000 0.644 214 A CB -0.120 18.901 19.000 0.035 0.000 0.805 214 A HN 0.194 nan 8.150 nan 0.000 0.449 215 R N -0.429 120.038 120.500 -0.055 0.000 2.432 215 R HA 0.205 4.548 4.340 0.004 0.000 0.260 215 R C 0.180 176.390 176.300 -0.150 0.000 0.935 215 R CA 0.062 56.104 56.100 -0.095 0.000 1.080 215 R CB -0.156 30.084 30.300 -0.099 0.000 1.155 215 R HN 0.299 nan 8.270 nan 0.000 0.531 216 S N 1.459 117.063 115.700 -0.160 0.000 2.516 216 S HA 0.168 4.641 4.470 0.004 0.000 0.282 216 S C 1.567 176.140 174.600 -0.044 0.000 1.286 216 S CA -0.341 57.789 58.200 -0.117 0.000 1.066 216 S CB 0.533 63.720 63.200 -0.022 0.000 0.884 216 S HN 0.214 nan 8.310 nan 0.000 0.491 217 L N 4.039 125.256 121.223 -0.011 0.000 2.093 217 L HA -0.074 4.268 4.340 0.004 0.000 0.208 217 L C 2.554 179.337 176.870 -0.145 0.000 1.085 217 L CA 1.104 55.933 54.840 -0.018 0.000 0.755 217 L CB -0.931 41.191 42.059 0.106 0.000 0.904 217 L HN 0.614 nan 8.230 nan 0.000 0.435 218 T N 0.096 114.619 114.554 -0.052 0.000 2.821 218 T HA -0.017 4.336 4.350 0.004 0.000 0.267 218 T C 1.025 175.663 174.700 -0.103 0.000 1.046 218 T CA 0.593 62.634 62.100 -0.100 0.000 1.139 218 T CB -0.142 68.845 68.868 0.198 0.000 0.871 218 T HN 0.027 nan 8.240 nan 0.000 0.454 219 I N 1.071 121.617 120.570 -0.041 0.000 2.556 219 I HA 0.293 4.465 4.170 0.004 0.000 0.284 219 I C 1.479 177.562 176.117 -0.057 0.000 1.114 219 I CA 0.589 61.866 61.300 -0.038 0.000 1.418 219 I CB 0.726 38.731 38.000 0.008 0.000 1.394 219 I HN 0.474 nan 8.210 nan 0.000 0.552 220 G N 3.642 112.409 108.800 -0.056 0.000 2.176 220 G HA2 -0.241 3.722 3.960 0.004 0.000 0.253 220 G HA3 -0.241 3.722 3.960 0.004 0.000 0.253 220 G C 0.287 175.146 174.900 -0.069 0.000 0.979 220 G CA 0.102 45.172 45.100 -0.051 0.000 0.641 220 G HN 0.575 nan 8.290 nan 0.000 0.530 221 S N -0.466 115.173 115.700 -0.102 0.000 2.549 221 S HA 0.679 5.151 4.470 0.004 0.000 0.297 221 S C 0.471 175.023 174.600 -0.079 0.000 1.115 221 S CA -0.684 57.439 58.200 -0.128 0.000 1.059 221 S CB 1.246 64.276 63.200 -0.284 0.000 1.046 221 S HN 0.509 nan 8.310 nan 0.000 0.506 222 R N 2.005 122.477 120.500 -0.047 0.000 2.389 222 R HA 0.475 4.818 4.340 0.004 0.000 0.295 222 R C -0.682 175.629 176.300 0.017 0.000 1.075 222 R CA -0.206 55.886 56.100 -0.013 0.000 1.005 222 R CB 0.355 30.654 30.300 -0.001 0.000 0.987 222 R HN 0.491 nan 8.270 nan 0.000 0.452 223 V N 1.237 121.172 119.914 0.034 0.000 3.007 223 V HA 0.615 4.738 4.120 0.004 0.000 0.311 223 V C -0.974 175.158 176.094 0.063 0.000 1.120 223 V CA -1.162 61.190 62.300 0.088 0.000 0.980 223 V CB 1.968 33.861 31.823 0.117 0.000 1.033 223 V HN 0.798 nan 8.190 nan 0.000 0.429 224 R N 2.041 122.585 120.500 0.074 0.000 2.445 224 R HA 0.793 5.136 4.340 0.004 0.000 0.308 224 R C -1.774 174.563 176.300 0.062 0.000 0.961 224 R CA -0.505 55.627 56.100 0.053 0.000 0.862 224 R CB 2.090 32.416 30.300 0.042 0.000 1.144 224 R HN 0.767 nan 8.270 nan 0.000 0.447 225 V N 3.900 123.846 119.914 0.053 0.000 2.370 225 V HA 0.246 4.369 4.120 0.004 0.000 0.283 225 V C -0.281 175.843 176.094 0.050 0.000 1.023 225 V CA -0.662 61.678 62.300 0.067 0.000 0.857 225 V CB 1.528 33.391 31.823 0.066 0.000 0.985 225 V HN 0.773 nan 8.190 nan 0.000 0.443 226 E N 3.991 124.220 120.200 0.048 0.000 2.227 226 E HA 0.654 5.007 4.350 0.004 0.000 0.282 226 E C -1.001 175.619 176.600 0.033 0.000 1.015 226 E CA -0.178 56.242 56.400 0.033 0.000 0.823 226 E CB 1.265 30.980 29.700 0.025 0.000 1.081 226 E HN 0.537 nan 8.360 nan 0.000 0.396 227 L N 4.438 125.677 121.223 0.026 0.000 2.323 227 L HA 0.585 4.928 4.340 0.004 0.000 0.265 227 L C -2.172 174.708 176.870 0.017 0.000 1.012 227 L CA -2.543 52.312 54.840 0.025 0.000 0.820 227 L CB 1.503 43.577 42.059 0.025 0.000 1.334 227 L HN 0.389 nan 8.230 nan 0.000 0.427 228 P HA 0.115 nan 4.420 nan 0.000 0.269 228 P C 0.573 177.879 177.300 0.010 0.000 1.209 228 P CA 0.549 63.656 63.100 0.011 0.000 0.776 228 P CB 0.691 32.397 31.700 0.011 0.000 0.876 229 G N 1.648 110.452 108.800 0.008 0.000 2.136 229 G HA2 -0.073 3.889 3.960 0.004 0.000 0.242 229 G HA3 -0.073 3.889 3.960 0.004 0.000 0.242 229 G C 0.776 175.680 174.900 0.007 0.000 0.989 229 G CA 0.389 45.493 45.100 0.007 0.000 0.682 229 G HN 1.045 nan 8.290 nan 0.000 0.522 230 G N -1.428 107.377 108.800 0.008 0.000 2.160 230 G HA2 -0.248 3.715 3.960 0.004 0.000 0.251 230 G HA3 -0.248 3.715 3.960 0.004 0.000 0.251 230 G C 0.163 175.069 174.900 0.009 0.000 1.008 230 G CA 1.200 46.305 45.100 0.008 0.000 0.724 230 G HN 1.087 nan 8.290 nan 0.000 0.514 231 Q N 0.190 119.996 119.800 0.011 0.000 2.222 231 Q HA 0.555 4.898 4.340 0.004 0.000 0.252 231 Q C -0.243 175.766 176.000 0.015 0.000 0.926 231 Q CA -0.041 55.769 55.803 0.012 0.000 0.899 231 Q CB 1.091 29.836 28.738 0.012 0.000 1.250 231 Q HN 0.638 nan 8.270 nan 0.000 0.441 232 D N -1.144 119.264 120.400 0.015 0.000 2.602 232 D HA 0.557 5.200 4.640 0.004 0.000 0.236 232 D C -1.417 174.893 176.300 0.016 0.000 1.209 232 D CA -0.663 53.348 54.000 0.018 0.000 0.831 232 D CB 1.277 42.088 40.800 0.019 0.000 1.478 232 D HN 0.201 nan 8.370 nan 0.000 0.438 233 V N 0.568 120.493 119.914 0.019 0.000 2.604 233 V HA 0.656 4.778 4.120 0.004 0.000 0.305 233 V C -0.529 175.574 176.094 0.015 0.000 1.043 233 V CA -0.793 61.514 62.300 0.013 0.000 0.888 233 V CB 1.773 33.602 31.823 0.009 0.000 0.995 233 V HN 0.643 nan 8.190 nan 0.000 0.429 234 V N 2.993 122.914 119.914 0.010 0.000 2.540 234 V HA 1.013 5.136 4.120 0.004 0.000 0.302 234 V C 0.448 176.544 176.094 0.002 0.000 1.035 234 V CA 0.099 62.406 62.300 0.011 0.000 0.873 234 V CB 1.384 33.215 31.823 0.013 0.000 0.992 234 V HN 1.127 nan 8.190 nan 0.000 0.428 235 G N 3.245 112.044 108.800 -0.001 0.000 2.606 235 G HA2 0.694 4.657 3.960 0.004 0.000 0.300 235 G HA3 0.694 4.657 3.960 0.004 0.000 0.300 235 G C -1.908 172.982 174.900 -0.017 0.000 1.360 235 G CA -0.721 44.372 45.100 -0.012 0.000 0.783 235 G HN 0.529 nan 8.290 nan 0.000 0.484 236 I N 1.392 121.947 120.570 -0.026 0.000 2.354 236 I HA 0.541 4.713 4.170 0.004 0.000 0.292 236 I C 0.843 176.930 176.117 -0.049 0.000 0.989 236 I CA -0.528 60.752 61.300 -0.033 0.000 1.188 236 I CB 1.899 39.881 38.000 -0.029 0.000 1.342 236 I HN 0.625 nan 8.210 nan 0.000 0.457 237 A N 6.990 129.773 122.820 -0.062 0.000 2.491 237 A HA 0.313 4.635 4.320 0.004 0.000 0.261 237 A C 1.048 178.589 177.584 -0.071 0.000 1.101 237 A CA 0.014 51.998 52.037 -0.089 0.000 0.772 237 A CB 0.113 19.054 19.000 -0.099 0.000 1.043 237 A HN 0.831 nan 8.150 nan 0.000 0.501 238 R N 0.516 120.973 120.500 -0.071 0.000 2.287 238 R HA 0.167 4.509 4.340 0.004 0.000 0.197 238 R C -0.562 175.720 176.300 -0.029 0.000 0.900 238 R CA 0.469 56.543 56.100 -0.043 0.000 1.052 238 R CB 0.459 30.739 30.300 -0.035 0.000 1.117 238 R HN 0.894 nan 8.270 nan 0.000 0.568 239 D N -1.370 119.001 120.400 -0.049 0.000 2.713 239 D HA 0.338 4.981 4.640 0.004 0.000 0.306 239 D C -1.602 174.666 176.300 -0.053 0.000 1.299 239 D CA -0.518 53.475 54.000 -0.013 0.000 0.823 239 D CB 1.563 42.371 40.800 0.012 0.000 1.353 239 D HN -0.237 nan 8.370 nan 0.000 0.447 240 I N 2.195 122.781 120.570 0.025 0.000 2.436 240 I HA 0.262 4.435 4.170 0.004 0.000 0.289 240 I C -0.324 175.872 176.117 0.132 0.000 1.010 240 I CA -0.737 60.559 61.300 -0.007 0.000 1.098 240 I CB 1.337 39.340 38.000 0.005 0.000 1.266 240 I HN 0.443 nan 8.210 nan 0.000 0.434 241 D N 4.923 125.378 120.400 0.090 0.000 2.411 241 D HA 0.029 4.672 4.640 0.004 0.000 0.251 241 D C 0.806 177.302 176.300 0.327 0.000 1.201 241 D CA -0.322 53.774 54.000 0.161 0.000 0.996 241 D CB 0.840 41.688 40.800 0.080 0.000 1.101 241 D HN 0.566 nan 8.370 nan 0.000 0.504 242 D N -0.688 119.874 120.400 0.271 0.000 2.309 242 D HA -0.221 4.421 4.640 0.004 0.000 0.212 242 D C 0.894 177.469 176.300 0.458 0.000 0.968 242 D CA 0.939 55.135 54.000 0.327 0.000 0.882 242 D CB -0.244 40.643 40.800 0.145 0.000 0.918 242 D HN 0.579 nan 8.370 nan 0.000 0.503 243 Q N -0.338 119.656 119.800 0.324 0.000 2.247 243 Q HA 0.305 4.648 4.340 0.004 0.000 0.204 243 Q C 0.837 176.927 176.000 0.150 0.000 0.872 243 Q CA 0.282 56.241 55.803 0.260 0.000 0.951 243 Q CB 0.942 29.762 28.738 0.137 0.000 1.099 243 Q HN 0.417 nan 8.270 nan 0.000 0.501 244 G N 2.110 110.894 108.800 -0.027 0.000 2.137 244 G HA2 -0.275 3.687 3.960 0.004 0.000 0.237 244 G HA3 -0.275 3.687 3.960 0.004 0.000 0.237 244 G C -0.128 174.764 174.900 -0.015 0.000 1.002 244 G CA -0.088 44.748 45.100 -0.439 0.000 0.702 244 G HN 0.243 nan 8.290 nan 0.000 0.515 245 R N -1.200 119.313 120.500 0.022 0.000 2.758 245 R HA 0.776 5.118 4.340 0.004 0.000 0.265 245 R C -0.377 175.752 176.300 -0.285 0.000 1.016 245 R CA -1.149 54.985 56.100 0.058 0.000 1.040 245 R CB 1.319 31.657 30.300 0.063 0.000 1.152 245 R HN 0.144 nan 8.270 nan 0.000 0.503 246 L N 1.007 121.842 121.223 -0.646 0.000 2.292 246 L HA 0.289 4.632 4.340 0.004 0.000 0.284 246 L C -1.047 175.588 176.870 -0.392 0.000 1.065 246 L CA -0.230 54.105 54.840 -0.842 0.000 0.806 246 L CB 1.057 42.281 42.059 -1.392 0.000 1.175 246 L HN 0.674 nan 8.230 nan 0.000 0.431 247 C N 5.983 125.117 119.300 -0.277 0.000 2.281 247 C HA 0.559 5.021 4.460 0.004 0.000 0.325 247 C C 0.066 174.975 174.990 -0.135 0.000 1.282 247 C CA -1.111 57.815 59.018 -0.155 0.000 1.640 247 C CB 0.031 27.714 27.740 -0.094 0.000 2.288 247 C HN 0.631 nan 8.230 nan 0.000 0.507 248 L N 2.756 123.917 121.223 -0.102 0.000 2.325 248 L HA 0.459 4.801 4.340 0.004 0.000 0.278 248 L C -0.260 176.581 176.870 -0.049 0.000 1.023 248 L CA -0.162 54.633 54.840 -0.076 0.000 0.811 248 L CB 1.415 43.435 42.059 -0.064 0.000 1.249 248 L HN 0.586 nan 8.230 nan 0.000 0.431 249 D N 2.262 122.638 120.400 -0.039 0.000 2.359 249 D HA 0.287 4.929 4.640 0.004 0.000 0.230 249 D C -0.936 175.351 176.300 -0.021 0.000 1.118 249 D CA -0.223 53.761 54.000 -0.027 0.000 0.844 249 D CB 1.613 42.399 40.800 -0.024 0.000 1.059 249 D HN 0.070 nan 8.370 nan 0.000 0.493 250 V N 3.942 123.845 119.914 -0.017 0.000 2.266 250 V HA 0.447 4.569 4.120 0.004 0.000 0.271 250 V C 1.249 177.338 176.094 -0.009 0.000 1.032 250 V CA -0.241 62.051 62.300 -0.012 0.000 0.806 250 V CB 0.806 32.622 31.823 -0.011 0.000 1.052 250 V HN 0.853 nan 8.190 nan 0.000 0.449 251 G N 3.218 112.013 108.800 -0.008 0.000 2.179 251 G HA2 -0.000 3.962 3.960 0.004 0.000 0.257 251 G HA3 -0.000 3.962 3.960 0.004 0.000 0.257 251 G C 1.098 175.994 174.900 -0.006 0.000 1.010 251 G CA 0.539 45.635 45.100 -0.006 0.000 0.736 251 G HN 2.147 nan 8.290 nan 0.000 0.513 252 G N -1.992 106.803 108.800 -0.008 0.000 2.175 252 G HA2 -0.196 3.767 3.960 0.004 0.000 0.244 252 G HA3 -0.196 3.767 3.960 0.004 0.000 0.244 252 G C 0.369 175.264 174.900 -0.008 0.000 0.982 252 G CA 0.780 45.876 45.100 -0.008 0.000 0.641 252 G HN 0.991 nan 8.290 nan 0.000 0.527 253 R N 0.445 120.940 120.500 -0.009 0.000 2.604 253 R HA 0.624 4.967 4.340 0.004 0.000 0.287 253 R C -0.386 175.906 176.300 -0.013 0.000 0.970 253 R CA -0.378 55.717 56.100 -0.009 0.000 0.946 253 R CB 1.109 31.404 30.300 -0.008 0.000 1.127 253 R HN 0.143 nan 8.270 nan 0.000 0.473 254 T N 1.373 115.919 114.554 -0.014 0.000 2.806 254 T HA 0.343 4.695 4.350 0.004 0.000 0.290 254 T C -0.031 174.657 174.700 -0.020 0.000 0.966 254 T CA -0.418 61.671 62.100 -0.019 0.000 1.060 254 T CB 1.299 70.157 68.868 -0.017 0.000 0.927 254 T HN 0.123 nan 8.240 nan 0.000 0.485 255 V N 4.289 124.186 119.914 -0.028 0.000 2.444 255 V HA 0.419 4.541 4.120 0.004 0.000 0.294 255 V C -0.261 175.807 176.094 -0.043 0.000 1.022 255 V CA -0.721 61.563 62.300 -0.027 0.000 0.850 255 V CB 1.909 33.718 31.823 -0.024 0.000 0.992 255 V HN 0.714 nan 8.190 nan 0.000 0.426 256 V N 6.020 125.913 119.914 -0.035 0.000 2.435 256 V HA 0.609 4.732 4.120 0.004 0.000 0.290 256 V C -0.126 175.950 176.094 -0.031 0.000 1.030 256 V CA -0.583 61.688 62.300 -0.049 0.000 0.881 256 V CB 1.854 33.658 31.823 -0.030 0.000 0.983 256 V HN 0.731 nan 8.190 nan 0.000 0.445 257 V N 2.245 122.131 119.914 -0.048 0.000 2.680 257 V HA 0.853 4.976 4.120 0.004 0.000 0.309 257 V C 0.137 176.298 176.094 0.112 0.000 1.052 257 V CA -0.473 61.841 62.300 0.024 0.000 0.908 257 V CB 1.881 33.727 31.823 0.038 0.000 1.001 257 V HN 0.926 nan 8.190 nan 0.000 0.431 258 S N 3.764 119.553 115.700 0.147 0.000 2.617 258 S HA 0.755 5.228 4.470 0.004 0.000 0.269 258 S C 0.570 175.334 174.600 0.272 0.000 1.292 258 S CA -0.115 58.199 58.200 0.190 0.000 1.010 258 S CB 1.143 64.403 63.200 0.099 0.000 0.944 258 S HN 2.263 nan 8.310 nan 0.000 0.536 259 A N 1.360 124.287 122.820 0.179 0.000 2.567 259 A HA 0.549 4.871 4.320 0.004 0.000 0.240 259 A C 0.887 178.426 177.584 -0.074 0.000 1.053 259 A CA 0.451 52.442 52.037 -0.076 0.000 0.755 259 A CB -1.049 17.796 19.000 -0.259 0.000 0.978 259 A HN 1.674 nan 8.150 nan 0.000 0.507 260 G N 1.009 109.724 108.800 -0.142 0.000 2.570 260 G HA2 0.524 4.486 3.960 0.004 0.000 0.310 260 G HA3 0.524 4.486 3.960 0.004 0.000 0.310 260 G C -1.789 173.088 174.900 -0.039 0.000 1.266 260 G CA -0.632 44.452 45.100 -0.027 0.000 0.825 260 G HN 0.611 nan 8.290 nan 0.000 0.483 261 D N 0.584 121.001 120.400 0.029 0.000 2.278 261 D HA 0.511 5.154 4.640 0.004 0.000 0.245 261 D C -0.070 176.285 176.300 0.092 0.000 1.052 261 D CA -0.137 53.879 54.000 0.027 0.000 0.834 261 D CB 2.527 43.324 40.800 -0.006 0.000 1.194 261 D HN 0.608 nan 8.370 nan 0.000 0.481 262 V N -0.827 119.152 119.914 0.109 0.000 3.001 262 V HA 0.760 4.882 4.120 0.004 0.000 0.314 262 V C -0.635 175.477 176.094 0.030 0.000 1.099 262 V CA -0.684 61.689 62.300 0.122 0.000 0.989 262 V CB 1.951 33.914 31.823 0.234 0.000 1.040 262 V HN 0.263 nan 8.190 nan 0.000 0.434 263 V N 2.499 122.438 119.914 0.043 0.000 2.604 263 V HA 0.551 4.673 4.120 0.004 0.000 0.305 263 V C -0.142 176.009 176.094 0.095 0.000 1.043 263 V CA -0.512 61.783 62.300 -0.008 0.000 0.888 263 V CB 1.135 32.967 31.823 0.015 0.000 0.995 263 V HN 1.072 nan 8.190 nan 0.000 0.429 264 H N 3.287 122.378 119.070 0.035 0.000 2.547 264 H HA 0.691 5.249 4.556 0.004 0.000 0.362 264 H C -0.469 174.871 175.328 0.019 0.000 1.181 264 H CA -0.610 55.455 56.048 0.028 0.000 1.376 264 H CB 1.185 30.963 29.762 0.027 0.000 1.488 264 H HN 0.425 nan 8.280 nan 0.000 0.583 265 L N 0.000 121.311 121.223 0.146 0.000 2.949 265 L HA 0.000 4.342 4.340 0.004 0.000 0.249 265 L CA 0.000 54.886 54.840 0.077 0.000 0.813 265 L CB 0.000 42.091 42.059 0.053 0.000 0.961 265 L HN 0.000 nan 8.230 nan 0.000 0.502