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 3ccf_1_B DATA FIRST_RESID 19 DATA SEQUENCE KHSFVWQYGE DLLQLLNPQP GEFILDLGCG TGQLTEKIAQ SGAEVLGTDN DATA SEQUENCE AATXIEKARQ NYPHLHFDVA DARNFRVDKP LDAVFSNAXL HWVKEPEAAI DATA SEQUENCE ASIHQALKSG GRFVAEFGGK GNIKYILEAL YNALETLGIH NPQALNPWYF DATA SEQUENCE PSIGEYVNIL EKQGFDVTYA ALFNRPTTLA EGEFGXANWI QXFASAFLVG DATA SEQUENCE LTPDQQVQLI RKVEATLQDK LYHQESWTAD YRRIRIVSIK AQ 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 19 K HA 0.000 nan 4.320 nan 0.000 0.191 19 K C 0.000 176.564 176.600 -0.061 0.000 0.988 19 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 19 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 20 H N -1.060 117.971 119.070 -0.065 0.000 3.230 20 H HA 0.824 5.381 4.556 0.001 0.000 0.259 20 H C 0.841 176.095 175.328 -0.124 0.000 1.195 20 H CA 1.464 57.458 56.048 -0.091 0.000 1.112 20 H CB 0.140 29.863 29.762 -0.065 0.000 1.638 20 H HN 1.245 nan 8.280 nan 0.000 0.624 21 S N -0.167 115.466 115.700 -0.111 0.000 2.632 21 S HA 0.682 5.153 4.470 0.001 0.000 0.289 21 S C -0.642 173.889 174.600 -0.115 0.000 1.115 21 S CA -0.797 57.342 58.200 -0.102 0.000 0.889 21 S CB 1.130 64.338 63.200 0.013 0.000 1.116 21 S HN 0.261 nan 8.310 nan 0.000 0.486 22 F N 1.008 120.970 119.950 0.019 0.000 2.496 22 F HA 0.349 4.877 4.527 0.002 0.000 0.344 22 F C 0.952 176.605 175.800 -0.245 0.000 1.155 22 F CA -0.016 57.857 58.000 -0.211 0.000 1.302 22 F CB 0.909 39.595 39.000 -0.523 0.000 1.159 22 F HN 0.291 nan 8.300 nan 0.000 0.595 23 V N 3.583 123.447 119.914 -0.083 0.000 2.530 23 V HA 0.222 4.343 4.120 0.001 0.000 0.282 23 V C -1.159 174.779 176.094 -0.260 0.000 1.048 23 V CA -0.490 61.773 62.300 -0.061 0.000 0.997 23 V CB 0.321 32.132 31.823 -0.020 0.000 0.987 23 V HN 0.663 nan 8.190 nan 0.000 0.477 24 W N 3.999 125.351 121.300 0.086 0.000 2.915 24 W HA 0.551 5.212 4.660 0.001 0.000 0.337 24 W C -0.017 176.550 176.519 0.080 0.000 1.102 24 W CA -0.610 56.773 57.345 0.064 0.000 1.224 24 W CB 1.520 31.012 29.460 0.052 0.000 1.416 24 W HN 0.458 nan 8.180 nan 0.000 0.503 25 Q N 1.060 121.063 119.800 0.339 0.000 2.443 25 Q HA 0.056 4.396 4.340 0.001 0.000 0.232 25 Q C -0.507 175.670 176.000 0.294 0.000 1.026 25 Q CA -0.736 55.229 55.803 0.269 0.000 0.924 25 Q CB 0.667 29.530 28.738 0.208 0.000 1.256 25 Q HN 0.457 nan 8.270 nan 0.000 0.519 26 Y N 0.557 120.956 120.300 0.165 0.000 2.802 26 Y HA 0.010 4.561 4.550 0.001 0.000 0.333 26 Y C 1.237 177.224 175.900 0.145 0.000 1.244 26 Y CA 1.833 60.023 58.100 0.150 0.000 1.558 26 Y CB -0.224 38.317 38.460 0.136 0.000 1.233 26 Y HN 0.875 nan 8.280 nan 0.000 0.547 27 G N 4.064 112.636 108.800 -0.380 0.000 2.189 27 G HA2 -0.413 3.548 3.960 0.001 0.000 0.267 27 G HA3 -0.413 3.548 3.960 0.001 0.000 0.267 27 G C 1.145 176.001 174.900 -0.073 0.000 0.975 27 G CA 0.696 45.629 45.100 -0.278 0.000 0.644 27 G HN 0.705 nan 8.290 nan 0.000 0.537 28 E N 0.743 120.941 120.200 -0.003 0.000 2.031 28 E HA -0.181 4.170 4.350 0.001 0.000 0.193 28 E C 2.271 178.809 176.600 -0.105 0.000 0.994 28 E CA 1.645 58.085 56.400 0.066 0.000 0.800 28 E CB -0.128 29.754 29.700 0.303 0.000 0.752 28 E HN 0.611 nan 8.360 nan 0.000 0.447 29 D N 0.708 120.826 120.400 -0.470 0.000 2.178 29 D HA -0.190 4.451 4.640 0.001 0.000 0.202 29 D C 2.113 178.188 176.300 -0.375 0.000 0.974 29 D CA 0.481 53.962 54.000 -0.864 0.000 0.841 29 D CB -0.539 39.280 40.800 -1.634 0.000 0.953 29 D HN 0.242 nan 8.370 nan 0.000 0.478 30 L N 0.094 121.197 121.223 -0.200 0.000 2.093 30 L HA 0.040 4.380 4.340 0.001 0.000 0.208 30 L C 2.335 179.286 176.870 0.135 0.000 1.085 30 L CA 1.053 55.892 54.840 -0.002 0.000 0.755 30 L CB -0.371 41.720 42.059 0.053 0.000 0.904 30 L HN -0.013 nan 8.230 nan 0.000 0.435 31 L N -1.211 120.048 121.223 0.060 0.000 2.141 31 L HA -0.189 4.151 4.340 0.001 0.000 0.209 31 L C 2.509 179.355 176.870 -0.039 0.000 1.094 31 L CA 0.977 55.792 54.840 -0.042 0.000 0.763 31 L CB -0.374 41.608 42.059 -0.128 0.000 0.908 31 L HN 0.348 nan 8.230 nan 0.000 0.437 32 Q N 0.336 120.105 119.800 -0.052 0.000 2.172 32 Q HA -0.131 4.209 4.340 0.001 0.000 0.200 32 Q C 2.150 178.126 176.000 -0.039 0.000 0.964 32 Q CA 1.402 57.179 55.803 -0.043 0.000 0.855 32 Q CB -0.110 28.596 28.738 -0.054 0.000 0.918 32 Q HN 0.447 nan 8.270 nan 0.000 0.444 33 L N -0.366 120.830 121.223 -0.047 0.000 2.093 33 L HA -0.144 4.197 4.340 0.001 0.000 0.208 33 L C 2.125 179.012 176.870 0.029 0.000 1.085 33 L CA 0.612 55.437 54.840 -0.025 0.000 0.755 33 L CB -0.433 41.614 42.059 -0.020 0.000 0.904 33 L HN 0.316 nan 8.230 nan 0.000 0.435 34 L N 0.530 121.792 121.223 0.065 0.000 2.056 34 L HA -0.125 4.216 4.340 0.001 0.000 0.207 34 L C 1.084 177.979 176.870 0.042 0.000 1.078 34 L CA 1.205 56.101 54.840 0.093 0.000 0.749 34 L CB -0.566 41.561 42.059 0.114 0.000 0.901 34 L HN 0.445 nan 8.230 nan 0.000 0.433 35 N N -0.492 118.213 118.700 0.009 0.000 2.696 35 N HA -0.132 4.608 4.740 0.001 0.000 0.256 35 N C -2.409 173.101 175.510 -0.000 0.000 1.031 35 N CA 0.705 53.755 53.050 0.001 0.000 0.730 35 N CB -0.974 37.519 38.487 0.010 0.000 0.894 35 N HN 0.364 nan 8.380 nan 0.000 0.544 36 P HA 0.139 nan 4.420 nan 0.000 0.271 36 P C -0.579 176.714 177.300 -0.011 0.000 1.216 36 P CA 0.273 63.362 63.100 -0.019 0.000 0.776 36 P CB 0.919 32.584 31.700 -0.058 0.000 0.881 37 Q N 2.071 121.872 119.800 0.003 0.000 2.451 37 Q HA 0.503 4.844 4.340 0.001 0.000 0.281 37 Q C -2.511 173.494 176.000 0.008 0.000 1.099 37 Q CA -2.206 53.600 55.803 0.005 0.000 0.806 37 Q CB 1.730 30.475 28.738 0.011 0.000 1.419 37 Q HN 0.349 nan 8.270 nan 0.000 0.427 38 P HA 0.211 nan 4.420 nan 0.000 0.275 38 P C 0.471 177.776 177.300 0.009 0.000 1.228 38 P CA 0.535 63.637 63.100 0.003 0.000 0.786 38 P CB 0.615 32.314 31.700 -0.001 0.000 0.927 39 G N 0.845 109.650 108.800 0.008 0.000 2.176 39 G HA2 -0.192 3.769 3.960 0.001 0.000 0.232 39 G HA3 -0.192 3.769 3.960 0.001 0.000 0.232 39 G C -0.052 174.868 174.900 0.035 0.000 0.986 39 G CA -0.275 44.831 45.100 0.010 0.000 0.643 39 G HN 0.577 nan 8.290 nan 0.000 0.522 40 E N -0.435 119.795 120.200 0.051 0.000 2.283 40 E HA 0.575 4.925 4.350 0.001 0.000 0.271 40 E C -1.024 175.678 176.600 0.171 0.000 1.031 40 E CA -0.893 55.561 56.400 0.091 0.000 0.868 40 E CB 1.221 30.961 29.700 0.067 0.000 1.094 40 E HN 0.086 nan 8.360 nan 0.000 0.401 41 F N 3.846 123.792 119.950 -0.008 0.000 2.375 41 F HA 0.437 4.965 4.527 0.002 0.000 0.361 41 F C -1.006 174.799 175.800 0.007 0.000 1.117 41 F CA -1.156 56.836 58.000 -0.013 0.000 1.037 41 F CB 0.132 39.126 39.000 -0.010 0.000 1.192 41 F HN 0.273 nan 8.300 nan 0.000 0.452 42 I N 6.700 127.251 120.570 -0.033 0.000 2.569 42 I HA 0.330 4.501 4.170 0.001 0.000 0.296 42 I C -1.274 174.686 176.117 -0.262 0.000 1.028 42 I CA -1.285 59.920 61.300 -0.159 0.000 1.082 42 I CB 2.211 40.194 38.000 -0.027 0.000 1.264 42 I HN 0.403 nan 8.210 nan 0.000 0.429 43 L N 5.356 126.442 121.223 -0.230 0.000 2.296 43 L HA 0.467 4.808 4.340 0.001 0.000 0.286 43 L C -0.647 176.220 176.870 -0.006 0.000 1.023 43 L CA 0.054 54.787 54.840 -0.178 0.000 0.812 43 L CB 1.265 43.180 42.059 -0.240 0.000 1.223 43 L HN 0.462 nan 8.230 nan 0.000 0.421 44 D N 4.741 125.158 120.400 0.028 0.000 2.485 44 D HA 0.188 4.829 4.640 0.001 0.000 0.221 44 D C -1.029 175.324 176.300 0.087 0.000 1.112 44 D CA -0.283 53.816 54.000 0.164 0.000 0.911 44 D CB 0.494 41.394 40.800 0.167 0.000 1.019 44 D HN 0.486 nan 8.370 nan 0.000 0.516 45 L N 3.835 125.084 121.223 0.044 0.000 2.325 45 L HA 0.514 4.855 4.340 0.001 0.000 0.284 45 L C 0.938 177.803 176.870 -0.008 0.000 1.089 45 L CA 0.648 55.448 54.840 -0.066 0.000 0.836 45 L CB 0.572 42.555 42.059 -0.128 0.000 1.184 45 L HN 0.618 nan 8.230 nan 0.000 0.444 46 G N 3.246 112.039 108.800 -0.011 0.000 2.520 46 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 46 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 46 G C 0.757 175.697 174.900 0.067 0.000 1.140 46 G CA 0.082 45.189 45.100 0.011 0.000 1.012 46 G HN 1.220 nan 8.290 nan 0.000 0.511 47 C N -0.559 118.793 119.300 0.087 0.000 2.456 47 C HA 0.517 4.977 4.460 0.001 0.000 0.279 47 C C 2.661 177.725 174.990 0.122 0.000 1.427 47 C CA 0.700 59.808 59.018 0.150 0.000 1.778 47 C CB -1.222 26.655 27.740 0.228 0.000 1.842 47 C HN 2.501 nan 8.230 nan 0.000 0.531 48 G N 1.759 110.596 108.800 0.062 0.000 2.611 48 G HA2 -0.405 3.556 3.960 0.001 0.000 0.301 48 G HA3 -0.405 3.556 3.960 0.001 0.000 0.301 48 G C 1.004 175.904 174.900 -0.000 0.000 1.233 48 G CA 2.302 47.426 45.100 0.040 0.000 0.993 48 G HN 1.262 nan 8.290 nan 0.000 0.553 49 T N -0.985 113.597 114.554 0.046 0.000 3.072 49 T HA 0.371 4.722 4.350 0.001 0.000 0.266 49 T C 2.520 177.297 174.700 0.128 0.000 1.127 49 T CA 1.819 63.947 62.100 0.046 0.000 1.107 49 T CB -0.100 68.822 68.868 0.089 0.000 0.910 49 T HN 2.784 nan 8.240 nan 0.000 0.513 50 G N 0.570 109.455 108.800 0.142 0.000 2.176 50 G HA2 -0.315 3.646 3.960 0.001 0.000 0.232 50 G HA3 -0.315 3.646 3.960 0.001 0.000 0.232 50 G C 0.690 175.605 174.900 0.025 0.000 0.986 50 G CA 0.413 45.633 45.100 0.199 0.000 0.643 50 G HN 0.486 nan 8.290 nan 0.000 0.522 51 Q N 0.046 119.951 119.800 0.175 0.000 2.062 51 Q HA -0.026 4.314 4.340 0.001 0.000 0.209 51 Q C 2.722 178.733 176.000 0.019 0.000 0.996 51 Q CA 2.267 58.147 55.803 0.127 0.000 0.859 51 Q CB -0.329 28.572 28.738 0.272 0.000 0.920 51 Q HN 0.701 nan 8.270 nan 0.000 0.415 52 L N -0.664 120.622 121.223 0.105 0.000 2.418 52 L HA -0.035 4.305 4.340 0.001 0.000 0.218 52 L C 1.890 178.708 176.870 -0.087 0.000 1.125 52 L CA 0.924 55.782 54.840 0.030 0.000 0.835 52 L CB -0.398 41.738 42.059 0.128 0.000 0.953 52 L HN 0.274 nan 8.230 nan 0.000 0.454 53 T N -0.980 113.547 114.554 -0.044 0.000 2.867 53 T HA -0.177 4.174 4.350 0.001 0.000 0.268 53 T C 1.723 176.315 174.700 -0.180 0.000 1.057 53 T CA 1.276 63.330 62.100 -0.077 0.000 1.136 53 T CB -0.013 68.887 68.868 0.054 0.000 0.874 53 T HN 0.215 nan 8.240 nan 0.000 0.466 54 E N 1.654 121.684 120.200 -0.284 0.000 2.107 54 E HA -0.038 4.313 4.350 0.001 0.000 0.191 54 E C 2.088 178.612 176.600 -0.126 0.000 0.982 54 E CA 1.270 57.492 56.400 -0.296 0.000 0.809 54 E CB -0.134 29.214 29.700 -0.586 0.000 0.756 54 E HN 0.351 nan 8.360 nan 0.000 0.459 55 K N -0.003 120.328 120.400 -0.115 0.000 2.057 55 K HA -0.058 4.263 4.320 0.001 0.000 0.207 55 K C 2.192 178.723 176.600 -0.114 0.000 1.049 55 K CA 1.506 57.744 56.287 -0.080 0.000 0.931 55 K CB -0.203 32.253 32.500 -0.073 0.000 0.714 55 K HN 0.240 nan 8.250 nan 0.000 0.440 56 I N 0.781 121.247 120.570 -0.174 0.000 2.315 56 I HA -0.241 3.930 4.170 0.001 0.000 0.248 56 I C 2.419 178.475 176.117 -0.103 0.000 1.117 56 I CA 0.882 62.074 61.300 -0.180 0.000 1.404 56 I CB -0.335 37.523 38.000 -0.237 0.000 1.071 56 I HN 0.139 nan 8.210 nan 0.000 0.419 57 A N 0.162 122.929 122.820 -0.089 0.000 1.969 57 A HA -0.217 4.104 4.320 0.001 0.000 0.218 57 A C 2.206 179.778 177.584 -0.019 0.000 1.169 57 A CA 1.241 53.248 52.037 -0.049 0.000 0.635 57 A CB -0.503 18.473 19.000 -0.040 0.000 0.810 57 A HN 0.455 nan 8.150 nan 0.000 0.445 58 Q N 0.195 119.985 119.800 -0.017 0.000 2.364 58 Q HA -0.102 4.239 4.340 0.001 0.000 0.207 58 Q C 2.046 178.041 176.000 -0.009 0.000 0.970 58 Q CA 1.309 57.112 55.803 0.001 0.000 0.888 58 Q CB -0.182 28.561 28.738 0.008 0.000 0.951 58 Q HN 0.848 nan 8.270 nan 0.000 0.469 59 S N -1.545 114.140 115.700 -0.024 0.000 2.562 59 S HA 0.135 4.606 4.470 0.001 0.000 0.221 59 S C 1.459 176.050 174.600 -0.015 0.000 0.975 59 S CA 0.469 58.655 58.200 -0.022 0.000 0.918 59 S CB 0.462 63.640 63.200 -0.037 0.000 0.772 59 S HN 0.488 nan 8.310 nan 0.000 0.531 60 G N 0.610 109.402 108.800 -0.013 0.000 2.175 60 G HA2 -0.089 3.872 3.960 0.001 0.000 0.244 60 G HA3 -0.089 3.872 3.960 0.001 0.000 0.244 60 G C 0.246 175.139 174.900 -0.011 0.000 0.982 60 G CA -0.099 44.995 45.100 -0.010 0.000 0.641 60 G HN 1.260 nan 8.290 nan 0.000 0.527 61 A N 0.134 122.947 122.820 -0.012 0.000 2.407 61 A HA 0.604 4.925 4.320 0.001 0.000 0.248 61 A C 0.508 178.095 177.584 0.004 0.000 1.082 61 A CA 0.528 52.566 52.037 0.003 0.000 0.785 61 A CB 0.418 19.418 19.000 0.001 0.000 1.020 61 A HN 0.607 nan 8.150 nan 0.000 0.489 62 E N 0.914 121.134 120.200 0.034 0.000 2.316 62 E HA 0.417 4.768 4.350 0.001 0.000 0.275 62 E C -1.089 175.615 176.600 0.174 0.000 1.029 62 E CA -0.120 56.297 56.400 0.028 0.000 0.871 62 E CB 0.842 30.509 29.700 -0.054 0.000 1.022 62 E HN 0.505 nan 8.360 nan 0.000 0.418 63 V N 5.495 125.463 119.914 0.090 0.000 3.049 63 V HA 0.561 4.682 4.120 0.001 0.000 0.309 63 V C -1.822 174.312 176.094 0.067 0.000 1.148 63 V CA -0.853 61.500 62.300 0.088 0.000 0.990 63 V CB 2.044 33.842 31.823 -0.041 0.000 1.039 63 V HN 0.642 nan 8.190 nan 0.000 0.430 64 L N 4.856 126.114 121.223 0.058 0.000 2.410 64 L HA 1.000 5.341 4.340 0.001 0.000 0.270 64 L C -0.055 176.799 176.870 -0.026 0.000 0.983 64 L CA 0.357 55.214 54.840 0.029 0.000 0.822 64 L CB 1.908 44.053 42.059 0.145 0.000 1.285 64 L HN 0.817 nan 8.230 nan 0.000 0.409 65 G N 1.898 110.685 108.800 -0.021 0.000 2.416 65 G HA2 0.622 4.583 3.960 0.001 0.000 0.324 65 G HA3 0.622 4.583 3.960 0.001 0.000 0.324 65 G C -0.787 174.265 174.900 0.253 0.000 1.194 65 G CA 0.067 45.279 45.100 0.187 0.000 0.922 65 G HN 0.825 nan 8.290 nan 0.000 0.467 66 T N -0.921 113.708 114.554 0.124 0.000 2.906 66 T HA 0.752 5.103 4.350 0.001 0.000 0.295 66 T C -1.502 173.212 174.700 0.022 0.000 1.075 66 T CA -0.860 61.275 62.100 0.058 0.000 1.005 66 T CB 2.971 71.802 68.868 -0.062 0.000 1.136 66 T HN 0.463 nan 8.240 nan 0.000 0.498 67 D N -0.027 120.375 120.400 0.004 0.000 2.623 67 D HA 0.202 4.843 4.640 0.001 0.000 0.241 67 D C 0.035 176.319 176.300 -0.027 0.000 1.241 67 D CA -0.452 53.535 54.000 -0.021 0.000 0.788 67 D CB 2.005 42.789 40.800 -0.026 0.000 1.413 67 D HN 0.622 nan 8.370 nan 0.000 0.429 68 N N 0.643 119.319 118.700 -0.041 0.000 2.446 68 N HA 0.071 4.812 4.740 0.001 0.000 0.179 68 N C -0.019 175.464 175.510 -0.045 0.000 1.054 68 N CA 0.167 53.196 53.050 -0.036 0.000 0.905 68 N CB 0.100 38.563 38.487 -0.039 0.000 0.973 68 N HN 0.315 nan 8.380 nan 0.000 0.448 69 A N -0.067 122.717 122.820 -0.060 0.000 2.252 69 A HA 0.754 5.075 4.320 0.001 0.000 0.309 69 A C 1.155 178.707 177.584 -0.055 0.000 1.285 69 A CA -0.218 51.779 52.037 -0.066 0.000 0.900 69 A CB 0.605 19.551 19.000 -0.090 0.000 1.157 69 A HN 0.332 nan 8.150 nan 0.000 0.536 70 A N 2.653 125.447 122.820 -0.044 0.000 2.067 70 A HA 0.118 4.439 4.320 0.001 0.000 0.219 70 A C 1.605 179.161 177.584 -0.047 0.000 1.158 70 A CA 1.721 53.737 52.037 -0.036 0.000 0.661 70 A CB -0.994 17.991 19.000 -0.025 0.000 0.801 70 A HN 0.952 nan 8.150 nan 0.000 0.452 74 E N 1.770 121.902 120.200 -0.113 0.000 2.102 74 E HA 0.031 4.382 4.350 0.001 0.000 0.190 74 E C 2.143 178.681 176.600 -0.102 0.000 0.971 74 E CA 1.559 57.910 56.400 -0.081 0.000 0.821 74 E CB 0.219 29.889 29.700 -0.050 0.000 0.777 74 E HN 0.513 nan 8.360 nan 0.000 0.460 75 K N 1.090 121.423 120.400 -0.111 0.000 2.280 75 K HA 0.059 4.379 4.320 0.001 0.000 0.202 75 K C 2.022 178.538 176.600 -0.140 0.000 1.047 75 K CA 1.387 57.612 56.287 -0.103 0.000 0.942 75 K CB -0.656 31.794 32.500 -0.084 0.000 0.739 75 K HN 0.172 nan 8.250 nan 0.000 0.457 76 A N 0.847 123.516 122.820 -0.252 0.000 1.903 76 A HA 0.035 4.356 4.320 0.001 0.000 0.213 76 A C 2.403 179.808 177.584 -0.298 0.000 1.185 76 A CA 1.105 52.893 52.037 -0.415 0.000 0.628 76 A CB -0.113 18.284 19.000 -1.004 0.000 0.830 76 A HN 0.518 nan 8.150 nan 0.000 0.446 77 R N -0.799 119.571 120.500 -0.217 0.000 2.189 77 R HA -0.057 4.283 4.340 0.001 0.000 0.223 77 R C 2.615 178.950 176.300 0.058 0.000 1.092 77 R CA 1.418 57.559 56.100 0.068 0.000 0.989 77 R CB -0.315 30.039 30.300 0.090 0.000 0.876 77 R HN 0.682 nan 8.270 nan 0.000 0.457 78 Q N 0.653 120.441 119.800 -0.020 0.000 2.212 78 Q HA -0.023 4.318 4.340 0.001 0.000 0.199 78 Q C 1.594 177.551 176.000 -0.073 0.000 0.950 78 Q CA 1.255 57.040 55.803 -0.030 0.000 0.863 78 Q CB -0.424 28.287 28.738 -0.045 0.000 0.944 78 Q HN 0.320 nan 8.270 nan 0.000 0.465 79 N N -0.641 117.978 118.700 -0.136 0.000 2.216 79 N HA 0.006 4.747 4.740 0.001 0.000 0.183 79 N C -0.502 174.623 175.510 -0.643 0.000 1.017 79 N CA 1.008 53.825 53.050 -0.389 0.000 0.861 79 N CB 0.141 38.389 38.487 -0.397 0.000 0.986 79 N HN 0.650 nan 8.380 nan 0.000 0.428 80 Y N -1.024 119.348 120.300 0.119 0.000 2.592 80 Y HA 0.355 4.905 4.550 0.001 0.000 0.354 80 Y C -1.934 174.007 175.900 0.068 0.000 1.063 80 Y CA -1.828 56.331 58.100 0.099 0.000 1.205 80 Y CB 1.722 40.180 38.460 -0.004 0.000 1.106 80 Y HN -0.051 nan 8.280 nan 0.000 0.649 81 P HA -0.175 nan 4.420 nan 0.000 0.229 81 P C 1.034 178.453 177.300 0.199 0.000 1.150 81 P CA 1.637 64.855 63.100 0.196 0.000 0.765 81 P CB 0.035 31.832 31.700 0.161 0.000 0.783 82 H N -2.455 116.724 119.070 0.181 0.000 2.553 82 H HA 0.226 4.783 4.556 0.001 0.000 0.265 82 H C 0.558 175.964 175.328 0.130 0.000 0.964 82 H CA -0.111 56.018 56.048 0.136 0.000 1.156 82 H CB -0.444 29.389 29.762 0.118 0.000 1.411 82 H HN 0.115 nan 8.280 nan 0.000 0.558 83 L N 1.584 122.678 121.223 -0.216 0.000 2.344 83 L HA 0.303 4.643 4.340 0.001 0.000 0.272 83 L C 0.274 176.977 176.870 -0.278 0.000 1.035 83 L CA -0.842 53.824 54.840 -0.289 0.000 0.807 83 L CB 1.715 43.454 42.059 -0.533 0.000 1.237 83 L HN 0.186 nan 8.230 nan 0.000 0.442 84 H N 1.973 120.734 119.070 -0.514 0.000 2.668 84 H HA 0.369 4.926 4.556 0.001 0.000 0.303 84 H C -1.207 173.753 175.328 -0.614 0.000 1.074 84 H CA -0.056 55.768 56.048 -0.373 0.000 1.406 84 H CB 0.774 30.429 29.762 -0.180 0.000 1.442 84 H HN 0.243 nan 8.280 nan 0.000 0.482 85 F N 1.377 121.371 119.950 0.072 0.000 2.599 85 F HA 0.301 4.829 4.527 0.001 0.000 0.311 85 F C -0.130 175.685 175.800 0.026 0.000 1.076 85 F CA -0.844 57.184 58.000 0.047 0.000 0.937 85 F CB 2.167 41.184 39.000 0.029 0.000 1.282 85 F HN 0.431 nan 8.300 nan 0.000 0.460 86 D N 0.431 120.975 120.400 0.241 0.000 2.655 86 D HA 0.349 4.990 4.640 0.001 0.000 0.229 86 D C -1.316 175.037 176.300 0.088 0.000 1.229 86 D CA -0.335 53.742 54.000 0.128 0.000 0.807 86 D CB 3.272 44.133 40.800 0.101 0.000 1.514 86 D HN 0.156 nan 8.370 nan 0.000 0.444 87 V N 1.117 121.065 119.914 0.055 0.000 2.488 87 V HA 0.662 4.782 4.120 0.001 0.000 0.277 87 V C 0.122 176.236 176.094 0.034 0.000 1.046 87 V CA 0.240 62.558 62.300 0.030 0.000 0.986 87 V CB 0.754 32.586 31.823 0.014 0.000 0.989 87 V HN 0.718 nan 8.190 nan 0.000 0.475 88 A N 4.414 127.247 122.820 0.021 0.000 2.606 88 A HA 0.626 4.947 4.320 0.001 0.000 0.293 88 A C -1.257 176.349 177.584 0.036 0.000 1.082 88 A CA -0.658 51.403 52.037 0.040 0.000 0.685 88 A CB 1.747 20.768 19.000 0.035 0.000 1.284 88 A HN 0.632 nan 8.150 nan 0.000 0.408 89 D N 1.404 121.856 120.400 0.086 0.000 2.280 89 D HA 0.512 5.153 4.640 0.001 0.000 0.236 89 D C 1.211 177.622 176.300 0.185 0.000 1.082 89 D CA 0.413 54.466 54.000 0.088 0.000 0.834 89 D CB 1.897 42.736 40.800 0.066 0.000 1.100 89 D HN 0.587 nan 8.370 nan 0.000 0.486 90 A N 4.600 127.501 122.820 0.135 0.000 2.024 90 A HA -0.207 4.114 4.320 0.001 0.000 0.220 90 A C 1.918 179.666 177.584 0.273 0.000 1.164 90 A CA 1.292 53.460 52.037 0.219 0.000 0.643 90 A CB -0.099 18.949 19.000 0.081 0.000 0.806 90 A HN 0.629 nan 8.150 nan 0.000 0.451 91 R N -0.276 120.306 120.500 0.137 0.000 2.153 91 R HA -0.025 4.316 4.340 0.001 0.000 0.218 91 R C 0.628 176.935 176.300 0.013 0.000 1.072 91 R CA 1.220 57.352 56.100 0.054 0.000 0.990 91 R CB -0.018 30.295 30.300 0.021 0.000 0.889 91 R HN 0.751 nan 8.270 nan 0.000 0.452 92 N N -0.129 118.600 118.700 0.049 0.000 2.390 92 N HA -0.022 4.719 4.740 0.001 0.000 0.259 92 N C -0.411 175.095 175.510 -0.007 0.000 1.395 92 N CA -0.712 52.325 53.050 -0.021 0.000 0.852 92 N CB -0.464 38.023 38.487 0.001 0.000 1.371 92 N HN 0.083 nan 8.380 nan 0.000 0.491 93 F N 0.431 120.374 119.950 -0.011 0.000 2.403 93 F HA 0.805 5.333 4.527 0.001 0.000 0.320 93 F C 0.143 175.941 175.800 -0.003 0.000 1.176 93 F CA -0.936 57.062 58.000 -0.004 0.000 1.206 93 F CB 0.715 39.712 39.000 -0.004 0.000 1.235 93 F HN -0.092 nan 8.300 nan 0.000 0.565 94 R N 0.402 121.014 120.500 0.187 0.000 2.698 94 R HA 0.760 5.100 4.340 0.001 0.000 0.275 94 R C -0.999 175.436 176.300 0.225 0.000 1.001 94 R CA -0.539 55.612 56.100 0.085 0.000 0.896 94 R CB 0.951 31.265 30.300 0.024 0.000 1.218 94 R HN 1.058 nan 8.270 nan 0.000 0.462 95 V N -2.736 117.285 119.914 0.178 0.000 2.815 95 V HA 0.762 4.883 4.120 0.001 0.000 0.314 95 V C 1.170 177.364 176.094 0.167 0.000 1.064 95 V CA 0.111 62.529 62.300 0.197 0.000 0.952 95 V CB 1.715 33.655 31.823 0.195 0.000 1.020 95 V HN 0.971 nan 8.190 nan 0.000 0.439 96 D N 1.337 121.857 120.400 0.200 0.000 2.218 96 D HA 0.309 4.950 4.640 0.001 0.000 0.204 96 D C 0.833 177.215 176.300 0.137 0.000 0.976 96 D CA 2.086 56.173 54.000 0.146 0.000 0.853 96 D CB -0.051 40.823 40.800 0.123 0.000 0.939 96 D HN 1.410 nan 8.370 nan 0.000 0.481 97 K N -0.167 120.367 120.400 0.224 0.000 2.551 97 K HA 0.647 4.968 4.320 0.001 0.000 0.269 97 K C -3.226 173.526 176.600 0.254 0.000 0.949 97 K CA -1.288 55.118 56.287 0.199 0.000 0.849 97 K CB 0.822 33.411 32.500 0.148 0.000 1.411 97 K HN 0.054 nan 8.250 nan 0.000 0.432 98 P HA 0.227 nan 4.420 nan 0.000 0.265 98 P C -0.574 176.816 177.300 0.151 0.000 1.187 98 P CA -0.246 62.921 63.100 0.110 0.000 0.766 98 P CB 0.301 32.039 31.700 0.063 0.000 0.820 99 L N 2.571 123.816 121.223 0.037 0.000 2.360 99 L HA 0.264 4.605 4.340 0.001 0.000 0.271 99 L C 1.353 178.235 176.870 0.019 0.000 1.057 99 L CA -0.334 54.474 54.840 -0.053 0.000 0.803 99 L CB 0.779 42.735 42.059 -0.173 0.000 1.207 99 L HN 0.338 nan 8.230 nan 0.000 0.445 100 D N 1.005 121.425 120.400 0.035 0.000 2.240 100 D HA 0.173 4.814 4.640 0.001 0.000 0.206 100 D C 0.251 176.592 176.300 0.069 0.000 0.963 100 D CA 0.704 54.740 54.000 0.060 0.000 0.863 100 D CB 0.825 41.670 40.800 0.075 0.000 0.973 100 D HN 0.545 nan 8.370 nan 0.000 0.501 101 A N 0.125 122.976 122.820 0.052 0.000 2.589 101 A HA 0.511 4.831 4.320 0.001 0.000 0.296 101 A C -1.329 176.317 177.584 0.104 0.000 1.062 101 A CA -0.559 51.545 52.037 0.112 0.000 0.686 101 A CB 1.661 20.736 19.000 0.125 0.000 1.282 101 A HN -0.110 nan 8.150 nan 0.000 0.404 102 V N 1.652 121.694 119.914 0.213 0.000 2.459 102 V HA 0.638 4.758 4.120 0.001 0.000 0.295 102 V C -0.899 175.437 176.094 0.404 0.000 1.029 102 V CA -0.316 62.129 62.300 0.240 0.000 0.874 102 V CB 1.309 33.239 31.823 0.179 0.000 0.985 102 V HN 0.848 nan 8.190 nan 0.000 0.438 103 F N 3.895 123.936 119.950 0.150 0.000 2.507 103 F HA 0.760 5.288 4.527 0.002 0.000 0.325 103 F C -0.095 175.784 175.800 0.130 0.000 1.116 103 F CA -0.052 58.023 58.000 0.125 0.000 0.930 103 F CB 1.996 41.025 39.000 0.049 0.000 1.146 103 F HN 0.429 nan 8.300 nan 0.000 0.447 104 S N 5.143 120.546 115.700 -0.494 0.000 2.677 104 S HA 0.412 4.883 4.470 0.001 0.000 0.283 104 S C -1.833 172.482 174.600 -0.475 0.000 1.159 104 S CA -0.616 57.395 58.200 -0.314 0.000 1.001 104 S CB 0.761 63.974 63.200 0.020 0.000 1.032 104 S HN 0.793 nan 8.310 nan 0.000 0.487 105 N N 3.015 121.501 118.700 -0.357 0.000 2.354 105 N HA 0.768 5.509 4.740 0.001 0.000 0.287 105 N C -0.204 175.315 175.510 0.015 0.000 1.016 105 N CA 0.721 53.654 53.050 -0.196 0.000 0.871 105 N CB 1.536 39.920 38.487 -0.171 0.000 1.299 105 N HN 1.149 nan 8.380 nan 0.000 0.482 109 H N -1.796 117.248 119.070 -0.042 0.000 2.559 109 H HA -0.024 4.533 4.556 0.001 0.000 0.273 109 H C 1.107 176.503 175.328 0.113 0.000 1.000 109 H CA 0.581 56.723 56.048 0.157 0.000 1.195 109 H CB -0.170 29.768 29.762 0.293 0.000 1.368 109 H HN 0.488 nan 8.280 nan 0.000 0.592 110 W N 1.359 122.674 121.300 0.025 0.000 3.197 110 W HA 0.243 4.904 4.660 0.002 0.000 0.274 110 W C 0.155 176.705 176.519 0.051 0.000 1.297 110 W CA -0.144 57.292 57.345 0.152 0.000 1.662 110 W CB 0.745 30.245 29.460 0.067 0.000 1.106 110 W HN -0.121 nan 8.180 nan 0.000 0.663 111 V N 1.953 121.974 119.914 0.179 0.000 2.320 111 V HA 0.097 4.218 4.120 0.001 0.000 0.265 111 V C 0.871 176.958 176.094 -0.012 0.000 1.048 111 V CA -0.424 61.916 62.300 0.066 0.000 0.865 111 V CB 0.846 32.671 31.823 0.003 0.000 1.043 111 V HN 0.045 nan 8.190 nan 0.000 0.474 112 K N 2.436 122.824 120.400 -0.020 0.000 2.444 112 K HA 0.092 4.413 4.320 0.001 0.000 0.193 112 K C 0.023 176.515 176.600 -0.181 0.000 1.024 112 K CA 0.319 56.549 56.287 -0.096 0.000 1.077 112 K CB 0.386 32.866 32.500 -0.034 0.000 0.833 112 K HN 0.577 nan 8.250 nan 0.000 0.517 113 E N 0.734 120.845 120.200 -0.149 0.000 2.989 113 E HA 0.063 4.413 4.350 0.001 0.000 0.224 113 E C -1.954 174.554 176.600 -0.153 0.000 1.175 113 E CA -1.768 54.548 56.400 -0.139 0.000 1.300 113 E CB 0.841 30.497 29.700 -0.075 0.000 1.422 113 E HN 0.005 nan 8.360 nan 0.000 0.439 114 P HA -0.192 nan 4.420 nan 0.000 0.218 114 P C 0.528 177.791 177.300 -0.061 0.000 1.148 114 P CA 1.167 64.172 63.100 -0.158 0.000 0.822 114 P CB 0.524 32.038 31.700 -0.309 0.000 0.784 115 E N 0.247 120.395 120.200 -0.087 0.000 2.150 115 E HA -0.051 4.300 4.350 0.001 0.000 0.193 115 E C 2.259 178.828 176.600 -0.051 0.000 0.985 115 E CA 1.395 57.758 56.400 -0.062 0.000 0.814 115 E CB -1.012 28.654 29.700 -0.057 0.000 0.752 115 E HN 0.244 nan 8.360 nan 0.000 0.466 116 A N 0.866 123.654 122.820 -0.053 0.000 1.970 116 A HA 0.122 4.443 4.320 0.001 0.000 0.216 116 A C 2.300 179.858 177.584 -0.042 0.000 1.170 116 A CA 1.315 53.323 52.037 -0.048 0.000 0.645 116 A CB -0.580 18.394 19.000 -0.044 0.000 0.816 116 A HN 0.272 nan 8.150 nan 0.000 0.447 117 A N 0.298 123.105 122.820 -0.022 0.000 1.855 117 A HA -0.075 4.246 4.320 0.001 0.000 0.215 117 A C 2.073 179.642 177.584 -0.024 0.000 1.191 117 A CA 1.490 53.534 52.037 0.011 0.000 0.613 117 A CB -0.676 18.344 19.000 0.034 0.000 0.829 117 A HN 0.447 nan 8.150 nan 0.000 0.442 118 I N -0.114 120.434 120.570 -0.037 0.000 2.248 118 I HA -0.335 3.836 4.170 0.001 0.000 0.248 118 I C 2.915 179.054 176.117 0.037 0.000 1.107 118 I CA 1.074 62.340 61.300 -0.056 0.000 1.373 118 I CB -0.243 37.714 38.000 -0.072 0.000 1.055 118 I HN 0.395 nan 8.210 nan 0.000 0.418 119 A N -0.252 122.565 122.820 -0.005 0.000 1.873 119 A HA -0.179 4.141 4.320 0.001 0.000 0.215 119 A C 2.475 180.030 177.584 -0.048 0.000 1.186 119 A CA 2.045 54.078 52.037 -0.006 0.000 0.616 119 A CB -0.702 18.272 19.000 -0.044 0.000 0.823 119 A HN 0.362 nan 8.150 nan 0.000 0.442 120 S N -0.209 115.394 115.700 -0.162 0.000 2.382 120 S HA -0.097 4.374 4.470 0.001 0.000 0.228 120 S C 1.784 176.130 174.600 -0.423 0.000 1.027 120 S CA 1.425 59.368 58.200 -0.428 0.000 0.991 120 S CB -0.477 62.300 63.200 -0.705 0.000 0.823 120 S HN 0.530 nan 8.310 nan 0.000 0.469 121 I N 0.770 121.258 120.570 -0.137 0.000 2.202 121 I HA -0.209 3.962 4.170 0.001 0.000 0.242 121 I C 2.524 178.707 176.117 0.109 0.000 1.091 121 I CA 1.383 62.703 61.300 0.033 0.000 1.368 121 I CB -0.459 37.425 38.000 -0.194 0.000 1.058 121 I HN 0.422 nan 8.210 nan 0.000 0.410 122 H N 0.987 120.109 119.070 0.087 0.000 2.421 122 H HA -0.212 4.345 4.556 0.002 0.000 0.298 122 H C 2.126 177.400 175.328 -0.091 0.000 1.087 122 H CA 1.739 57.782 56.048 -0.008 0.000 1.330 122 H CB 0.206 29.925 29.762 -0.071 0.000 1.388 122 H HN 0.447 nan 8.280 nan 0.000 0.526 123 Q N -0.119 119.634 119.800 -0.079 0.000 2.245 123 Q HA 0.003 4.343 4.340 0.001 0.000 0.201 123 Q C 2.169 178.087 176.000 -0.137 0.000 0.955 123 Q CA 0.743 56.465 55.803 -0.134 0.000 0.870 123 Q CB 0.122 28.794 28.738 -0.108 0.000 0.945 123 Q HN 0.496 nan 8.270 nan 0.000 0.461 124 A N 0.407 123.162 122.820 -0.109 0.000 2.016 124 A HA 0.124 4.445 4.320 0.001 0.000 0.217 124 A C 0.922 178.498 177.584 -0.014 0.000 1.162 124 A CA 0.130 52.153 52.037 -0.024 0.000 0.662 124 A CB -0.093 18.975 19.000 0.114 0.000 0.812 124 A HN 0.315 nan 8.150 nan 0.000 0.450 125 L N 0.678 121.875 121.223 -0.044 0.000 2.417 125 L HA 0.190 4.531 4.340 0.001 0.000 0.268 125 L C 0.198 177.018 176.870 -0.084 0.000 1.158 125 L CA -0.473 54.343 54.840 -0.039 0.000 0.819 125 L CB 0.870 42.924 42.059 -0.008 0.000 1.112 125 L HN 0.201 nan 8.230 nan 0.000 0.458 126 K N 0.955 121.334 120.400 -0.034 0.000 2.219 126 K HA 0.195 4.516 4.320 0.001 0.000 0.258 126 K C -0.090 176.473 176.600 -0.062 0.000 1.008 126 K CA -0.476 55.790 56.287 -0.034 0.000 0.928 126 K CB 0.615 33.120 32.500 0.007 0.000 0.983 126 K HN 0.500 nan 8.250 nan 0.000 0.484 127 S N 0.708 116.368 115.700 -0.067 0.000 2.549 127 S HA 0.241 4.712 4.470 0.001 0.000 0.283 127 S C 1.114 175.699 174.600 -0.024 0.000 1.320 127 S CA 0.464 58.622 58.200 -0.070 0.000 1.058 127 S CB 0.705 63.870 63.200 -0.058 0.000 0.882 127 S HN 0.905 nan 8.310 nan 0.000 0.498 128 G N 2.252 111.045 108.800 -0.011 0.000 2.176 128 G HA2 -0.166 3.795 3.960 0.001 0.000 0.253 128 G HA3 -0.166 3.795 3.960 0.001 0.000 0.253 128 G C 0.376 175.309 174.900 0.055 0.000 0.979 128 G CA -0.295 44.822 45.100 0.028 0.000 0.641 128 G HN 1.114 nan 8.290 nan 0.000 0.530 129 G N -0.244 108.586 108.800 0.049 0.000 2.544 129 G HA2 0.533 4.494 3.960 0.001 0.000 0.242 129 G HA3 0.533 4.494 3.960 0.001 0.000 0.242 129 G C 0.199 175.203 174.900 0.174 0.000 1.247 129 G CA -0.351 44.802 45.100 0.089 0.000 0.840 129 G HN 0.586 nan 8.290 nan 0.000 0.578 130 R N -0.057 120.563 120.500 0.201 0.000 2.589 130 R HA 0.445 4.786 4.340 0.001 0.000 0.293 130 R C -1.605 174.916 176.300 0.369 0.000 0.963 130 R CA -0.755 55.502 56.100 0.261 0.000 0.905 130 R CB 2.205 32.615 30.300 0.184 0.000 1.144 130 R HN 0.388 nan 8.270 nan 0.000 0.459 131 F N 2.666 122.730 119.950 0.189 0.000 2.460 131 F HA 0.407 4.935 4.527 0.001 0.000 0.341 131 F C -1.331 174.517 175.800 0.080 0.000 1.130 131 F CA -1.258 56.811 58.000 0.115 0.000 0.962 131 F CB 1.396 40.400 39.000 0.006 0.000 1.171 131 F HN 0.137 nan 8.300 nan 0.000 0.436 132 V N 5.805 125.662 119.914 -0.095 0.000 2.444 132 V HA 0.915 5.036 4.120 0.001 0.000 0.294 132 V C -0.429 175.420 176.094 -0.409 0.000 1.022 132 V CA -0.439 61.733 62.300 -0.213 0.000 0.850 132 V CB 1.012 32.872 31.823 0.061 0.000 0.992 132 V HN 1.052 nan 8.190 nan 0.000 0.426 133 A N 4.080 126.619 122.820 -0.469 0.000 2.587 133 A HA 0.935 5.256 4.320 0.001 0.000 0.293 133 A C -1.052 176.399 177.584 -0.223 0.000 1.087 133 A CA -0.606 51.212 52.037 -0.364 0.000 0.692 133 A CB 2.207 21.016 19.000 -0.318 0.000 1.291 133 A HN 0.788 nan 8.150 nan 0.000 0.407 134 E N 0.276 120.395 120.200 -0.135 0.000 2.321 134 E HA 0.705 5.056 4.350 0.001 0.000 0.278 134 E C -1.576 175.060 176.600 0.059 0.000 0.902 134 E CA -0.509 55.801 56.400 -0.149 0.000 0.758 134 E CB 1.559 31.169 29.700 -0.150 0.000 1.213 134 E HN 0.950 nan 8.360 nan 0.000 0.426 135 F N 0.232 120.068 119.950 -0.190 0.000 3.052 135 F HA 0.639 5.167 4.527 0.002 0.000 0.323 135 F C -0.131 175.573 175.800 -0.161 0.000 1.178 135 F CA -0.962 57.007 58.000 -0.052 0.000 0.892 135 F CB 0.258 39.284 39.000 0.043 0.000 1.416 135 F HN 0.405 nan 8.300 nan 0.000 0.488 136 G N 0.250 109.111 108.800 0.102 0.000 2.313 136 G HA2 0.461 4.422 3.960 0.001 0.000 0.250 136 G HA3 0.461 4.422 3.960 0.001 0.000 0.250 136 G C -0.171 174.525 174.900 -0.340 0.000 1.281 136 G CA 0.191 45.050 45.100 -0.401 0.000 0.917 136 G HN 1.091 nan 8.290 nan 0.000 0.501 137 G N 0.836 109.310 108.800 -0.545 0.000 2.597 137 G HA2 0.521 4.481 3.960 0.001 0.000 0.317 137 G HA3 0.521 4.481 3.960 0.001 0.000 0.317 137 G C -0.177 174.515 174.900 -0.346 0.000 1.230 137 G CA -1.021 43.810 45.100 -0.447 0.000 0.996 137 G HN 0.704 nan 8.290 nan 0.000 0.490 138 K N -0.348 119.916 120.400 -0.226 0.000 2.473 138 K HA 0.275 4.595 4.320 0.001 0.000 0.277 138 K C 1.248 177.729 176.600 -0.198 0.000 1.052 138 K CA 1.498 57.700 56.287 -0.142 0.000 1.114 138 K CB -0.275 32.163 32.500 -0.104 0.000 0.869 138 K HN 1.320 nan 8.250 nan 0.000 0.481 139 G N 2.588 111.282 108.800 -0.177 0.000 2.176 139 G HA2 -0.276 3.685 3.960 0.001 0.000 0.232 139 G HA3 -0.276 3.685 3.960 0.001 0.000 0.232 139 G C 0.004 174.700 174.900 -0.339 0.000 0.986 139 G CA 0.026 44.990 45.100 -0.227 0.000 0.643 139 G HN 0.728 nan 8.290 nan 0.000 0.522 140 N N 1.102 119.502 118.700 -0.500 0.000 2.412 140 N HA 0.261 5.002 4.740 0.001 0.000 0.258 140 N C 1.768 176.947 175.510 -0.552 0.000 1.236 140 N CA 0.714 53.351 53.050 -0.689 0.000 0.882 140 N CB -0.148 37.513 38.487 -1.377 0.000 1.066 140 N HN 1.399 nan 8.380 nan 0.000 0.465 141 I N -0.755 119.553 120.570 -0.438 0.000 6.111 141 I HA -0.427 3.744 4.170 0.001 0.000 0.126 141 I C 1.188 177.125 176.117 -0.300 0.000 1.680 141 I CA 0.944 62.015 61.300 -0.382 0.000 2.435 141 I CB -1.228 36.550 38.000 -0.369 0.000 3.160 141 I HN 0.627 nan 8.210 nan 0.000 0.275 142 K N 1.201 121.402 120.400 -0.332 0.000 2.034 142 K HA -0.222 4.098 4.320 0.001 0.000 0.214 142 K C 1.698 178.133 176.600 -0.275 0.000 1.051 142 K CA 2.754 58.849 56.287 -0.321 0.000 0.931 142 K CB -0.233 31.982 32.500 -0.475 0.000 0.715 142 K HN 0.658 nan 8.250 nan 0.000 0.446 143 Y N 0.756 120.955 120.300 -0.169 0.000 2.242 143 Y HA -0.100 4.451 4.550 0.001 0.000 0.291 143 Y C 2.170 177.952 175.900 -0.197 0.000 1.137 143 Y CA 0.825 58.834 58.100 -0.152 0.000 1.181 143 Y CB -0.327 38.057 38.460 -0.127 0.000 0.989 143 Y HN 0.046 nan 8.280 nan 0.000 0.527 144 I N -0.673 119.820 120.570 -0.128 0.000 2.179 144 I HA -0.315 3.856 4.170 0.001 0.000 0.242 144 I C 2.187 178.155 176.117 -0.249 0.000 1.088 144 I CA 1.314 62.461 61.300 -0.255 0.000 1.357 144 I CB -0.466 37.227 38.000 -0.511 0.000 1.051 144 I HN 0.183 nan 8.210 nan 0.000 0.409 145 L N 0.284 121.338 121.223 -0.281 0.000 2.083 145 L HA -0.229 4.111 4.340 0.001 0.000 0.209 145 L C 2.623 179.142 176.870 -0.585 0.000 1.083 145 L CA 1.434 55.977 54.840 -0.495 0.000 0.752 145 L CB -0.508 41.285 42.059 -0.444 0.000 0.899 145 L HN 0.331 nan 8.230 nan 0.000 0.433 146 E N 0.325 120.363 120.200 -0.270 0.000 2.077 146 E HA -0.243 4.108 4.350 0.001 0.000 0.193 146 E C 2.190 178.766 176.600 -0.039 0.000 0.989 146 E CA 1.216 57.562 56.400 -0.091 0.000 0.800 146 E CB 0.015 29.727 29.700 0.020 0.000 0.746 146 E HN 0.449 nan 8.360 nan 0.000 0.452 147 A N 1.061 123.844 122.820 -0.062 0.000 1.898 147 A HA -0.148 4.173 4.320 0.001 0.000 0.216 147 A C 2.138 179.697 177.584 -0.041 0.000 1.181 147 A CA 1.253 53.268 52.037 -0.036 0.000 0.620 147 A CB -0.666 18.303 19.000 -0.051 0.000 0.819 147 A HN 0.384 nan 8.150 nan 0.000 0.442 148 L N -1.361 119.794 121.223 -0.115 0.000 1.994 148 L HA -0.149 4.191 4.340 0.001 0.000 0.208 148 L C 2.359 179.255 176.870 0.044 0.000 1.071 148 L CA 1.949 56.727 54.840 -0.103 0.000 0.745 148 L CB -0.854 41.044 42.059 -0.268 0.000 0.892 148 L HN 0.456 nan 8.230 nan 0.000 0.431 149 Y N 0.423 120.689 120.300 -0.057 0.000 2.097 149 Y HA -0.254 4.297 4.550 0.001 0.000 0.282 149 Y C 2.662 178.579 175.900 0.028 0.000 1.152 149 Y CA 1.397 59.500 58.100 0.005 0.000 1.136 149 Y CB -1.405 37.077 38.460 0.036 0.000 0.975 149 Y HN 0.359 nan 8.280 nan 0.000 0.498 150 N N -0.122 118.699 118.700 0.201 0.000 2.104 150 N HA -0.154 4.586 4.740 0.001 0.000 0.190 150 N C 2.029 177.596 175.510 0.094 0.000 1.024 150 N CA 1.518 54.644 53.050 0.126 0.000 0.853 150 N CB -0.712 37.828 38.487 0.088 0.000 1.008 150 N HN 0.356 nan 8.380 nan 0.000 0.424 151 A N 0.848 123.713 122.820 0.075 0.000 1.930 151 A HA -0.001 4.320 4.320 0.001 0.000 0.217 151 A C 2.369 179.991 177.584 0.062 0.000 1.175 151 A CA 0.768 52.838 52.037 0.054 0.000 0.627 151 A CB -0.657 18.361 19.000 0.030 0.000 0.815 151 A HN 0.208 nan 8.150 nan 0.000 0.443 152 L N -0.450 120.824 121.223 0.085 0.000 2.083 152 L HA -0.184 4.157 4.340 0.001 0.000 0.209 152 L C 2.633 179.537 176.870 0.057 0.000 1.083 152 L CA 1.319 56.206 54.840 0.080 0.000 0.752 152 L CB -0.494 41.640 42.059 0.125 0.000 0.899 152 L HN 0.403 nan 8.230 nan 0.000 0.433 153 E N -0.207 120.048 120.200 0.091 0.000 2.077 153 E HA -0.215 4.135 4.350 0.001 0.000 0.193 153 E C 2.202 178.865 176.600 0.106 0.000 0.989 153 E CA 2.010 58.484 56.400 0.123 0.000 0.800 153 E CB -0.358 29.430 29.700 0.147 0.000 0.746 153 E HN 0.602 nan 8.360 nan 0.000 0.452 154 T N -0.746 113.855 114.554 0.079 0.000 2.977 154 T HA -0.070 4.281 4.350 0.001 0.000 0.271 154 T C 1.836 176.562 174.700 0.044 0.000 1.105 154 T CA 0.647 62.786 62.100 0.065 0.000 1.116 154 T CB -0.186 68.712 68.868 0.050 0.000 0.878 154 T HN 0.049 nan 8.240 nan 0.000 0.509 155 L N 0.403 121.640 121.223 0.022 0.000 2.628 155 L HA 0.430 4.771 4.340 0.001 0.000 0.229 155 L C 1.824 178.663 176.870 -0.050 0.000 1.137 155 L CA 0.278 55.117 54.840 -0.002 0.000 0.909 155 L CB -0.115 41.947 42.059 0.006 0.000 1.137 155 L HN 0.579 nan 8.230 nan 0.000 0.470 156 G N 0.547 109.288 108.800 -0.099 0.000 2.131 156 G HA2 -0.212 3.749 3.960 0.001 0.000 0.223 156 G HA3 -0.212 3.749 3.960 0.001 0.000 0.223 156 G C 0.077 174.621 174.900 -0.593 0.000 0.990 156 G CA -0.528 44.386 45.100 -0.310 0.000 0.671 156 G HN 0.124 nan 8.290 nan 0.000 0.521 157 I N 3.038 123.395 120.570 -0.355 0.000 2.287 157 I HA 0.340 4.511 4.170 0.001 0.000 0.290 157 I C 0.281 176.283 176.117 -0.190 0.000 1.069 157 I CA -1.021 60.132 61.300 -0.245 0.000 1.237 157 I CB -0.122 37.848 38.000 -0.050 0.000 1.418 157 I HN 0.085 nan 8.210 nan 0.000 0.481 158 H N 5.177 124.256 119.070 0.015 0.000 2.481 158 H HA 0.221 4.778 4.556 0.001 0.000 0.339 158 H C 0.733 176.052 175.328 -0.015 0.000 1.131 158 H CA -0.565 55.483 56.048 -0.000 0.000 1.301 158 H CB 0.854 30.616 29.762 -0.001 0.000 1.476 158 H HN 0.439 nan 8.280 nan 0.000 0.529 159 N N 1.192 119.941 118.700 0.083 0.000 2.746 159 N HA -0.120 4.620 4.740 0.001 0.000 0.250 159 N C -1.880 173.610 175.510 -0.034 0.000 1.055 159 N CA 0.294 53.342 53.050 -0.002 0.000 0.699 159 N CB -0.681 37.813 38.487 0.012 0.000 0.919 159 N HN 0.464 nan 8.380 nan 0.000 0.548 160 P HA -0.120 nan 4.420 nan 0.000 0.226 160 P C 1.025 178.308 177.300 -0.027 0.000 1.153 160 P CA 0.939 64.051 63.100 0.020 0.000 0.777 160 P CB 0.231 31.982 31.700 0.084 0.000 0.794 161 Q N 0.291 119.933 119.800 -0.264 0.000 2.234 161 Q HA -0.091 4.250 4.340 0.001 0.000 0.206 161 Q C 2.320 178.291 176.000 -0.049 0.000 0.980 161 Q CA 1.752 57.454 55.803 -0.169 0.000 0.869 161 Q CB -0.793 27.825 28.738 -0.200 0.000 0.912 161 Q HN 0.218 nan 8.270 nan 0.000 0.436 162 A N 0.199 122.978 122.820 -0.068 0.000 2.125 162 A HA -0.102 4.219 4.320 0.001 0.000 0.219 162 A C 1.689 179.194 177.584 -0.131 0.000 1.156 162 A CA 0.941 52.934 52.037 -0.075 0.000 0.671 162 A CB -0.277 18.689 19.000 -0.057 0.000 0.794 162 A HN 0.335 nan 8.150 nan 0.000 0.459 163 L N -0.535 120.577 121.223 -0.184 0.000 2.585 163 L HA 0.093 4.434 4.340 0.001 0.000 0.226 163 L C 0.759 177.189 176.870 -0.732 0.000 1.113 163 L CA -0.362 54.245 54.840 -0.389 0.000 0.876 163 L CB -0.311 41.521 42.059 -0.377 0.000 1.072 163 L HN 0.302 nan 8.230 nan 0.000 0.468 164 N N 2.949 121.355 118.700 -0.490 0.000 2.440 164 N HA 0.012 4.753 4.740 0.001 0.000 0.265 164 N C -1.835 173.356 175.510 -0.531 0.000 1.239 164 N CA -0.804 51.970 53.050 -0.461 0.000 0.909 164 N CB 1.263 39.821 38.487 0.119 0.000 1.066 164 N HN -0.000 nan 8.380 nan 0.000 0.474 165 P HA 0.211 nan 4.420 nan 0.000 0.263 165 P C -0.550 176.406 177.300 -0.574 0.000 1.448 165 P CA -0.024 62.688 63.100 -0.647 0.000 0.983 165 P CB 0.053 31.375 31.700 -0.631 0.000 1.481 166 W N 0.136 121.268 121.300 -0.281 0.000 2.647 166 W HA 0.371 5.031 4.660 0.001 0.000 0.353 166 W C -0.639 175.612 176.519 -0.448 0.000 1.080 166 W CA -0.774 56.263 57.345 -0.514 0.000 1.208 166 W CB 0.545 29.373 29.460 -1.053 0.000 1.396 166 W HN -0.144 nan 8.180 nan 0.000 0.573 167 Y N 2.323 122.475 120.300 -0.246 0.000 2.363 167 Y HA 0.448 4.999 4.550 0.001 0.000 0.325 167 Y C -1.683 174.243 175.900 0.045 0.000 0.984 167 Y CA -1.660 56.383 58.100 -0.096 0.000 1.248 167 Y CB 0.233 38.718 38.460 0.043 0.000 1.116 167 Y HN 0.124 nan 8.280 nan 0.000 0.470 168 F N 8.307 128.155 119.950 -0.169 0.000 2.363 168 F HA 0.463 4.991 4.527 0.001 0.000 0.366 168 F C -2.463 173.086 175.800 -0.418 0.000 1.083 168 F CA -3.358 54.487 58.000 -0.259 0.000 1.176 168 F CB 0.543 39.453 39.000 -0.150 0.000 1.432 168 F HN 0.330 nan 8.300 nan 0.000 0.482 169 P HA 0.270 nan 4.420 nan 0.000 0.281 169 P C -0.098 177.083 177.300 -0.198 0.000 1.264 169 P CA -0.327 62.554 63.100 -0.365 0.000 0.824 169 P CB 1.813 33.281 31.700 -0.386 0.000 1.092 170 S N 0.520 116.162 115.700 -0.096 0.000 2.634 170 S HA 0.227 4.698 4.470 0.001 0.000 0.261 170 S C 1.546 176.114 174.600 -0.054 0.000 1.271 170 S CA -0.552 57.599 58.200 -0.081 0.000 0.985 170 S CB -0.133 63.045 63.200 -0.036 0.000 0.968 170 S HN 0.364 nan 8.310 nan 0.000 0.568 171 I N 1.083 121.612 120.570 -0.068 0.000 2.252 171 I HA -0.039 4.132 4.170 0.001 0.000 0.245 171 I C 2.713 178.840 176.117 0.015 0.000 1.102 171 I CA 1.412 62.685 61.300 -0.045 0.000 1.385 171 I CB -1.124 36.830 38.000 -0.077 0.000 1.064 171 I HN 0.933 nan 8.210 nan 0.000 0.414 172 G N 0.427 109.233 108.800 0.011 0.000 2.440 172 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 172 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 172 G C 1.493 176.430 174.900 0.063 0.000 1.154 172 G CA 0.725 45.843 45.100 0.030 0.000 0.767 172 G HN 0.403 nan 8.290 nan 0.000 0.552 173 E N -0.842 119.410 120.200 0.085 0.000 2.031 173 E HA -0.142 4.209 4.350 0.001 0.000 0.193 173 E C 2.197 178.927 176.600 0.217 0.000 0.994 173 E CA 1.102 57.589 56.400 0.145 0.000 0.800 173 E CB -0.257 29.539 29.700 0.159 0.000 0.752 173 E HN 0.497 nan 8.360 nan 0.000 0.447 174 Y N 0.725 121.085 120.300 0.100 0.000 2.220 174 Y HA -0.151 4.400 4.550 0.001 0.000 0.291 174 Y C 2.138 178.099 175.900 0.103 0.000 1.129 174 Y CA 0.737 58.932 58.100 0.159 0.000 1.161 174 Y CB -0.111 38.445 38.460 0.161 0.000 0.997 174 Y HN -0.164 nan 8.280 nan 0.000 0.522 175 V N 0.702 120.671 119.914 0.093 0.000 2.407 175 V HA -0.305 3.816 4.120 0.001 0.000 0.248 175 V C 2.085 178.178 176.094 -0.001 0.000 1.055 175 V CA 2.024 64.334 62.300 0.017 0.000 1.049 175 V CB -0.611 31.230 31.823 0.030 0.000 0.662 175 V HN 0.470 nan 8.190 nan 0.000 0.455 176 N N 0.082 118.794 118.700 0.020 0.000 2.244 176 N HA -0.052 4.689 4.740 0.001 0.000 0.183 176 N C 1.792 177.300 175.510 -0.003 0.000 1.016 176 N CA 1.428 54.489 53.050 0.018 0.000 0.866 176 N CB -0.115 38.391 38.487 0.031 0.000 0.980 176 N HN 0.444 nan 8.380 nan 0.000 0.430 177 I N 0.996 121.545 120.570 -0.035 0.000 2.252 177 I HA -0.217 3.953 4.170 0.001 0.000 0.245 177 I C 2.133 178.207 176.117 -0.071 0.000 1.102 177 I CA 0.737 61.996 61.300 -0.067 0.000 1.385 177 I CB -0.152 37.779 38.000 -0.116 0.000 1.064 177 I HN 0.040 nan 8.210 nan 0.000 0.414 178 L N 0.272 121.424 121.223 -0.118 0.000 2.046 178 L HA -0.205 4.136 4.340 0.001 0.000 0.208 178 L C 2.489 179.458 176.870 0.166 0.000 1.077 178 L CA 1.527 56.355 54.840 -0.021 0.000 0.747 178 L CB -0.523 41.452 42.059 -0.140 0.000 0.896 178 L HN 0.232 nan 8.230 nan 0.000 0.432 179 E N -0.130 120.121 120.200 0.084 0.000 2.106 179 E HA -0.248 4.103 4.350 0.001 0.000 0.192 179 E C 2.114 178.744 176.600 0.050 0.000 0.984 179 E CA 0.881 57.335 56.400 0.090 0.000 0.806 179 E CB 0.029 29.765 29.700 0.059 0.000 0.750 179 E HN 0.310 nan 8.360 nan 0.000 0.458 180 K N 0.875 121.289 120.400 0.023 0.000 2.148 180 K HA -0.204 4.117 4.320 0.001 0.000 0.204 180 K C 2.137 178.710 176.600 -0.046 0.000 1.050 180 K CA 1.095 57.377 56.287 -0.009 0.000 0.942 180 K CB 0.133 32.626 32.500 -0.012 0.000 0.724 180 K HN -0.080 nan 8.250 nan 0.000 0.446 181 Q N -0.571 119.206 119.800 -0.039 0.000 2.435 181 Q HA 0.007 4.348 4.340 0.001 0.000 0.207 181 Q C 0.572 176.323 176.000 -0.414 0.000 0.956 181 Q CA 1.271 56.968 55.803 -0.177 0.000 0.917 181 Q CB 0.534 29.238 28.738 -0.056 0.000 0.997 181 Q HN 0.466 nan 8.270 nan 0.000 0.497 182 G N -1.324 107.370 108.800 -0.177 0.000 2.148 182 G HA2 -0.176 3.784 3.960 0.001 0.000 0.157 182 G HA3 -0.176 3.784 3.960 0.001 0.000 0.157 182 G C -0.445 174.386 174.900 -0.114 0.000 1.012 182 G CA -0.281 44.714 45.100 -0.174 0.000 0.677 182 G HN 0.174 nan 8.290 nan 0.000 0.506 183 F N 1.522 121.496 119.950 0.041 0.000 2.385 183 F HA 0.520 5.048 4.527 0.001 0.000 0.336 183 F C 0.380 176.222 175.800 0.071 0.000 1.100 183 F CA -0.746 57.314 58.000 0.100 0.000 1.116 183 F CB 1.033 40.110 39.000 0.129 0.000 1.166 183 F HN -0.116 nan 8.300 nan 0.000 0.511 184 D N 2.298 122.856 120.400 0.264 0.000 2.280 184 D HA 0.299 4.940 4.640 0.001 0.000 0.243 184 D C -0.581 175.837 176.300 0.197 0.000 1.129 184 D CA 0.028 54.135 54.000 0.178 0.000 0.848 184 D CB 1.686 42.564 40.800 0.131 0.000 1.107 184 D HN 0.065 nan 8.370 nan 0.000 0.471 185 V N 2.472 122.474 119.914 0.146 0.000 2.394 185 V HA 0.248 4.369 4.120 0.001 0.000 0.282 185 V C 1.388 177.543 176.094 0.101 0.000 1.031 185 V CA -0.406 61.962 62.300 0.114 0.000 0.881 185 V CB 1.432 33.300 31.823 0.075 0.000 0.982 185 V HN 0.713 nan 8.190 nan 0.000 0.451 186 T N 0.426 115.050 114.554 0.116 0.000 2.985 186 T HA 0.245 4.596 4.350 0.001 0.000 0.254 186 T C -0.178 174.638 174.700 0.193 0.000 1.021 186 T CA 0.093 62.270 62.100 0.128 0.000 0.957 186 T CB 0.063 69.001 68.868 0.118 0.000 1.047 186 T HN 0.547 nan 8.240 nan 0.000 0.511 187 Y N 0.687 120.996 120.300 0.015 0.000 2.424 187 Y HA 0.619 5.170 4.550 0.001 0.000 0.323 187 Y C -1.885 174.009 175.900 -0.009 0.000 1.174 187 Y CA -1.418 56.683 58.100 0.002 0.000 1.060 187 Y CB 1.162 39.619 38.460 -0.006 0.000 1.314 187 Y HN 0.324 nan 8.280 nan 0.000 0.439 188 A N 3.630 126.063 122.820 -0.645 0.000 2.549 188 A HA 1.023 5.344 4.320 0.001 0.000 0.297 188 A C -1.789 175.390 177.584 -0.675 0.000 1.061 188 A CA -0.116 51.552 52.037 -0.615 0.000 0.690 188 A CB 1.331 20.178 19.000 -0.255 0.000 1.287 188 A HN 1.751 nan 8.150 nan 0.000 0.402 189 A N 0.443 122.941 122.820 -0.536 0.000 2.594 189 A HA 0.796 5.117 4.320 0.001 0.000 0.295 189 A C -2.048 175.434 177.584 -0.170 0.000 1.071 189 A CA -0.413 51.466 52.037 -0.263 0.000 0.685 189 A CB 1.529 20.455 19.000 -0.124 0.000 1.285 189 A HN 1.905 nan 8.150 nan 0.000 0.405 190 L N 2.234 123.404 121.223 -0.088 0.000 2.406 190 L HA 0.842 5.182 4.340 0.001 0.000 0.270 190 L C -1.402 175.422 176.870 -0.077 0.000 0.982 190 L CA -0.403 54.310 54.840 -0.211 0.000 0.843 190 L CB 0.869 42.804 42.059 -0.206 0.000 1.225 190 L HN 0.738 nan 8.230 nan 0.000 0.412 191 F N 1.589 121.447 119.950 -0.153 0.000 2.613 191 F HA 0.648 5.175 4.527 0.001 0.000 0.314 191 F C -0.407 175.328 175.800 -0.108 0.000 1.075 191 F CA -1.117 56.818 58.000 -0.108 0.000 0.945 191 F CB 1.107 40.062 39.000 -0.075 0.000 1.310 191 F HN 0.265 nan 8.300 nan 0.000 0.467 192 N N 1.735 120.519 118.700 0.140 0.000 2.488 192 N HA 0.282 5.023 4.740 0.001 0.000 0.274 192 N C -0.825 174.787 175.510 0.170 0.000 1.111 192 N CA -0.315 52.770 53.050 0.057 0.000 0.974 192 N CB 1.529 40.035 38.487 0.031 0.000 1.089 192 N HN 0.690 nan 8.380 nan 0.000 0.465 193 R N 2.145 122.710 120.500 0.109 0.000 2.653 193 R HA 0.230 4.571 4.340 0.001 0.000 0.269 193 R C -2.553 173.836 176.300 0.149 0.000 1.603 193 R CA -1.327 54.877 56.100 0.173 0.000 1.671 193 R CB 0.644 31.072 30.300 0.214 0.000 1.300 193 R HN 0.384 nan 8.270 nan 0.000 0.668 194 P HA 0.032 nan 4.420 nan 0.000 0.263 194 P C -0.929 176.425 177.300 0.091 0.000 1.195 194 P CA 0.325 63.451 63.100 0.043 0.000 0.762 194 P CB 1.358 33.073 31.700 0.025 0.000 0.799 195 T N 2.264 116.872 114.554 0.090 0.000 2.861 195 T HA 0.298 4.649 4.350 0.001 0.000 0.287 195 T C -0.124 174.648 174.700 0.121 0.000 1.003 195 T CA -0.381 61.815 62.100 0.160 0.000 0.977 195 T CB 0.997 70.067 68.868 0.336 0.000 0.996 195 T HN 0.186 nan 8.240 nan 0.000 0.448 196 T N 4.004 118.639 114.554 0.135 0.000 2.870 196 T HA 0.342 4.693 4.350 0.001 0.000 0.300 196 T C 0.414 175.227 174.700 0.189 0.000 0.989 196 T CA -0.347 61.838 62.100 0.141 0.000 1.139 196 T CB 0.007 68.945 68.868 0.116 0.000 0.920 196 T HN 0.295 nan 8.240 nan 0.000 0.537 197 L N 2.432 123.787 121.223 0.219 0.000 2.375 197 L HA 0.576 4.917 4.340 0.001 0.000 0.271 197 L C 0.985 178.005 176.870 0.249 0.000 1.107 197 L CA -1.079 53.921 54.840 0.267 0.000 0.806 197 L CB 0.578 42.814 42.059 0.295 0.000 1.146 197 L HN 0.669 nan 8.230 nan 0.000 0.447 198 A N 1.776 124.740 122.820 0.240 0.000 2.366 198 A HA 0.334 4.655 4.320 0.001 0.000 0.249 198 A C 0.528 178.254 177.584 0.237 0.000 1.084 198 A CA -0.078 52.083 52.037 0.207 0.000 0.794 198 A CB 0.246 19.353 19.000 0.179 0.000 1.034 198 A HN 0.884 nan 8.150 nan 0.000 0.491 199 E N -0.789 119.545 120.200 0.224 0.000 3.435 199 E HA -0.203 4.148 4.350 0.001 0.000 0.312 199 E C 0.956 177.742 176.600 0.310 0.000 0.869 199 E CA 1.736 58.307 56.400 0.286 0.000 1.112 199 E CB -2.340 27.551 29.700 0.318 0.000 1.561 199 E HN 2.242 nan 8.360 nan 0.000 0.417 200 G N 1.965 110.905 108.800 0.233 0.000 2.690 200 G HA2 -0.500 3.461 3.960 0.001 0.000 0.334 200 G HA3 -0.500 3.461 3.960 0.001 0.000 0.334 200 G C 0.944 175.991 174.900 0.246 0.000 1.250 200 G CA 1.865 47.077 45.100 0.186 0.000 0.994 200 G HN 0.568 nan 8.290 nan 0.000 0.549 201 E N 0.455 120.651 120.200 -0.007 0.000 2.401 201 E HA 0.036 4.387 4.350 0.001 0.000 0.199 201 E C 1.940 178.425 176.600 -0.191 0.000 1.023 201 E CA 1.658 57.980 56.400 -0.129 0.000 0.859 201 E CB -0.234 29.202 29.700 -0.439 0.000 0.780 201 E HN 0.553 nan 8.360 nan 0.000 0.523 202 F N 1.478 121.582 119.950 0.257 0.000 2.727 202 F HA 0.332 4.860 4.527 0.001 0.000 0.302 202 F C 1.680 177.545 175.800 0.108 0.000 1.097 202 F CA -0.062 58.023 58.000 0.143 0.000 1.330 202 F CB -0.158 38.904 39.000 0.102 0.000 1.084 202 F HN -0.007 nan 8.300 nan 0.000 0.578 206 N N -0.447 118.323 118.700 0.117 0.000 2.142 206 N HA -0.138 4.603 4.740 0.001 0.000 0.186 206 N C 1.350 176.937 175.510 0.129 0.000 1.023 206 N CA 1.637 54.753 53.050 0.110 0.000 0.852 206 N CB -0.526 38.040 38.487 0.132 0.000 0.998 206 N HN 0.728 nan 8.380 nan 0.000 0.424 207 W N 1.858 123.191 121.300 0.056 0.000 2.335 207 W HA -0.013 4.648 4.660 0.002 0.000 0.311 207 W C 1.957 178.600 176.519 0.205 0.000 1.213 207 W CA 1.091 58.553 57.345 0.195 0.000 1.274 207 W CB -0.289 29.293 29.460 0.202 0.000 1.148 207 W HN -0.061 nan 8.180 nan 0.000 0.498 208 I N 0.236 121.100 120.570 0.489 0.000 2.226 208 I HA -0.259 3.912 4.170 0.001 0.000 0.245 208 I C 1.628 177.833 176.117 0.148 0.000 1.100 208 I CA 1.013 62.536 61.300 0.371 0.000 1.374 208 I CB -0.689 37.463 38.000 0.253 0.000 1.057 208 I HN 0.016 nan 8.210 nan 0.000 0.413 212 A N -0.532 122.472 122.820 0.306 0.000 2.500 212 A HA 0.454 4.775 4.320 0.001 0.000 0.267 212 A C 1.559 179.379 177.584 0.394 0.000 1.290 212 A CA 0.753 53.085 52.037 0.492 0.000 0.928 212 A CB -0.512 18.784 19.000 0.493 0.000 1.066 212 A HN 0.100 nan 8.150 nan 0.000 0.516 213 S N 0.639 116.478 115.700 0.231 0.000 2.387 213 S HA -0.218 4.253 4.470 0.001 0.000 0.230 213 S C 2.261 176.927 174.600 0.109 0.000 1.035 213 S CA 1.470 59.754 58.200 0.140 0.000 1.014 213 S CB -0.266 62.977 63.200 0.072 0.000 0.836 213 S HN 0.879 nan 8.310 nan 0.000 0.466 214 A N 0.422 123.272 122.820 0.050 0.000 2.024 214 A HA -0.051 4.270 4.320 0.001 0.000 0.220 214 A C 1.611 179.087 177.584 -0.179 0.000 1.164 214 A CA 1.251 53.200 52.037 -0.148 0.000 0.643 214 A CB -0.727 18.050 19.000 -0.372 0.000 0.806 214 A HN 0.537 nan 8.150 nan 0.000 0.451 215 F N -1.005 118.955 119.950 0.016 0.000 2.776 215 F HA 0.246 4.773 4.527 0.001 0.000 0.300 215 F C 1.452 177.278 175.800 0.043 0.000 1.116 215 F CA 0.324 58.351 58.000 0.045 0.000 1.375 215 F CB 0.165 39.230 39.000 0.109 0.000 1.109 215 F HN 0.066 nan 8.300 nan 0.000 0.585 216 L N -0.108 121.236 121.223 0.202 0.000 2.640 216 L HA 0.061 4.402 4.340 0.001 0.000 0.230 216 L C 2.179 179.089 176.870 0.067 0.000 1.123 216 L CA 0.033 54.951 54.840 0.130 0.000 0.900 216 L CB -0.256 41.875 42.059 0.120 0.000 1.146 216 L HN 0.083 nan 8.230 nan 0.000 0.484 217 V N -2.327 117.613 119.914 0.043 0.000 2.546 217 V HA -0.131 3.989 4.120 0.001 0.000 0.254 217 V C 1.818 177.917 176.094 0.009 0.000 1.076 217 V CA 1.987 64.294 62.300 0.012 0.000 1.087 217 V CB -1.250 30.566 31.823 -0.013 0.000 0.674 217 V HN 0.402 nan 8.190 nan 0.000 0.470 218 G N -0.311 108.499 108.800 0.016 0.000 3.284 218 G HA2 0.470 4.431 3.960 0.001 0.000 0.236 218 G HA3 0.470 4.431 3.960 0.001 0.000 0.236 218 G C 0.230 175.132 174.900 0.004 0.000 1.158 218 G CA -0.309 44.793 45.100 0.003 0.000 0.774 218 G HN 0.487 nan 8.290 nan 0.000 0.545 219 L N 1.417 122.650 121.223 0.016 0.000 2.346 219 L HA 0.425 4.766 4.340 0.001 0.000 0.274 219 L C 0.820 177.698 176.870 0.014 0.000 1.007 219 L CA -1.028 53.822 54.840 0.016 0.000 0.818 219 L CB 2.088 44.164 42.059 0.029 0.000 1.284 219 L HN 0.097 nan 8.230 nan 0.000 0.424 220 T N -1.282 113.278 114.554 0.010 0.000 2.802 220 T HA 0.173 4.524 4.350 0.001 0.000 0.305 220 T C -1.943 172.764 174.700 0.012 0.000 1.053 220 T CA -1.262 60.843 62.100 0.008 0.000 1.058 220 T CB 0.912 69.784 68.868 0.006 0.000 0.988 220 T HN 0.340 nan 8.240 nan 0.000 0.539 221 P HA -0.057 nan 4.420 nan 0.000 0.215 221 P C 1.084 178.391 177.300 0.012 0.000 1.153 221 P CA 1.003 64.109 63.100 0.011 0.000 0.853 221 P CB -0.026 31.678 31.700 0.006 0.000 0.788 222 D N -1.014 119.392 120.400 0.010 0.000 2.178 222 D HA -0.139 4.502 4.640 0.001 0.000 0.202 222 D C 2.047 178.356 176.300 0.014 0.000 0.974 222 D CA 1.027 55.034 54.000 0.012 0.000 0.841 222 D CB -0.479 40.326 40.800 0.010 0.000 0.953 222 D HN 0.300 nan 8.370 nan 0.000 0.478 223 Q N -0.036 119.772 119.800 0.014 0.000 2.224 223 Q HA -0.087 4.254 4.340 0.001 0.000 0.203 223 Q C 2.094 178.107 176.000 0.022 0.000 0.970 223 Q CA 0.714 56.526 55.803 0.017 0.000 0.865 223 Q CB 0.034 28.780 28.738 0.014 0.000 0.922 223 Q HN 0.425 nan 8.270 nan 0.000 0.445 224 Q N -0.266 119.549 119.800 0.025 0.000 2.119 224 Q HA -0.120 4.220 4.340 0.001 0.000 0.201 224 Q C 2.183 178.200 176.000 0.028 0.000 0.972 224 Q CA 1.268 57.090 55.803 0.032 0.000 0.847 224 Q CB 0.103 28.861 28.738 0.033 0.000 0.903 224 Q HN 0.223 nan 8.270 nan 0.000 0.433 225 V N 1.155 121.083 119.914 0.023 0.000 2.343 225 V HA -0.290 3.831 4.120 0.001 0.000 0.247 225 V C 2.084 178.190 176.094 0.020 0.000 1.051 225 V CA 1.888 64.201 62.300 0.022 0.000 1.036 225 V CB -0.596 31.239 31.823 0.021 0.000 0.654 225 V HN 0.376 nan 8.190 nan 0.000 0.451 226 Q N -0.486 119.326 119.800 0.019 0.000 2.124 226 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 226 Q C 2.346 178.356 176.000 0.016 0.000 0.977 226 Q CA 1.513 57.326 55.803 0.017 0.000 0.850 226 Q CB -0.314 28.434 28.738 0.017 0.000 0.901 226 Q HN 0.507 nan 8.270 nan 0.000 0.429 227 L N 0.885 122.120 121.223 0.020 0.000 2.027 227 L HA -0.155 4.186 4.340 0.001 0.000 0.206 227 L C 2.001 178.877 176.870 0.009 0.000 1.074 227 L CA 1.710 56.563 54.840 0.021 0.000 0.745 227 L CB -0.597 41.483 42.059 0.035 0.000 0.898 227 L HN 0.304 nan 8.230 nan 0.000 0.433 228 I N -0.014 120.561 120.570 0.009 0.000 2.286 228 I HA -0.303 3.868 4.170 0.001 0.000 0.248 228 I C 2.753 178.851 176.117 -0.031 0.000 1.115 228 I CA 1.024 62.316 61.300 -0.012 0.000 1.392 228 I CB -0.222 37.778 38.000 0.001 0.000 1.065 228 I HN 0.283 nan 8.210 nan 0.000 0.418 229 R N 0.711 121.206 120.500 -0.008 0.000 2.115 229 R HA -0.136 4.205 4.340 0.001 0.000 0.230 229 R C 2.245 178.542 176.300 -0.005 0.000 1.111 229 R CA 1.128 57.225 56.100 -0.004 0.000 0.976 229 R CB -0.153 30.153 30.300 0.009 0.000 0.870 229 R HN 0.353 nan 8.270 nan 0.000 0.445 230 K N 0.071 120.469 120.400 -0.003 0.000 2.057 230 K HA -0.065 4.256 4.320 0.001 0.000 0.206 230 K C 2.031 178.625 176.600 -0.010 0.000 1.050 230 K CA 1.179 57.466 56.287 0.000 0.000 0.935 230 K CB -0.019 32.486 32.500 0.009 0.000 0.715 230 K HN -0.024 nan 8.250 nan 0.000 0.439 231 V N 1.901 121.796 119.914 -0.031 0.000 2.358 231 V HA -0.217 3.904 4.120 0.001 0.000 0.246 231 V C 1.938 177.985 176.094 -0.080 0.000 1.047 231 V CA 1.735 63.998 62.300 -0.061 0.000 1.035 231 V CB -0.410 31.360 31.823 -0.088 0.000 0.658 231 V HN 0.317 nan 8.190 nan 0.000 0.452 232 E N 0.412 120.554 120.200 -0.097 0.000 2.077 232 E HA -0.180 4.171 4.350 0.001 0.000 0.193 232 E C 2.351 179.023 176.600 0.119 0.000 0.989 232 E CA 1.272 57.646 56.400 -0.043 0.000 0.800 232 E CB -0.348 29.321 29.700 -0.051 0.000 0.746 232 E HN 0.596 nan 8.360 nan 0.000 0.452 233 A N 1.268 124.114 122.820 0.043 0.000 1.883 233 A HA -0.208 4.113 4.320 0.001 0.000 0.217 233 A C 2.470 180.072 177.584 0.030 0.000 1.186 233 A CA 2.260 54.316 52.037 0.032 0.000 0.624 233 A CB -1.085 17.922 19.000 0.013 0.000 0.822 233 A HN 0.404 nan 8.150 nan 0.000 0.444 234 T N -2.243 112.324 114.554 0.021 0.000 3.023 234 T HA 0.128 4.479 4.350 0.001 0.000 0.266 234 T C 1.555 176.262 174.700 0.012 0.000 1.093 234 T CA 1.169 63.274 62.100 0.008 0.000 1.129 234 T CB -0.231 68.637 68.868 0.001 0.000 0.899 234 T HN 0.275 nan 8.240 nan 0.000 0.491 235 L N -0.026 121.235 121.223 0.063 0.000 2.554 235 L HA 0.244 4.585 4.340 0.001 0.000 0.225 235 L C 2.934 179.898 176.870 0.156 0.000 1.104 235 L CA 0.172 55.077 54.840 0.108 0.000 0.866 235 L CB -0.349 41.794 42.059 0.139 0.000 1.047 235 L HN 0.276 nan 8.230 nan 0.000 0.468 236 Q N 0.534 120.408 119.800 0.123 0.000 2.061 236 Q HA -0.258 4.083 4.340 0.001 0.000 0.204 236 Q C 1.509 177.398 176.000 -0.185 0.000 0.984 236 Q CA 2.007 57.755 55.803 -0.091 0.000 0.846 236 Q CB 0.161 28.852 28.738 -0.077 0.000 0.902 236 Q HN 0.407 nan 8.270 nan 0.000 0.421 237 D N -0.054 120.279 120.400 -0.113 0.000 2.133 237 D HA -0.169 4.472 4.640 0.001 0.000 0.195 237 D C 1.629 177.849 176.300 -0.133 0.000 0.997 237 D CA 1.303 55.233 54.000 -0.117 0.000 0.840 237 D CB -0.004 40.750 40.800 -0.077 0.000 0.947 237 D HN 0.175 nan 8.370 nan 0.000 0.452 238 K N -0.487 119.833 120.400 -0.134 0.000 2.166 238 K HA 0.135 4.456 4.320 0.001 0.000 0.201 238 K C 1.597 178.167 176.600 -0.051 0.000 1.052 238 K CA 0.360 56.582 56.287 -0.108 0.000 0.969 238 K CB 0.364 32.722 32.500 -0.236 0.000 0.761 238 K HN 0.071 nan 8.250 nan 0.000 0.459 239 L N -0.020 121.118 121.223 -0.143 0.000 2.858 239 L HA 0.225 4.566 4.340 0.001 0.000 0.251 239 L C -0.501 176.159 176.870 -0.350 0.000 1.149 239 L CA -0.485 54.321 54.840 -0.056 0.000 0.955 239 L CB 0.604 42.771 42.059 0.180 0.000 1.289 239 L HN 0.060 nan 8.230 nan 0.000 0.542 240 Y N 1.999 121.667 120.300 -1.053 0.000 2.334 240 Y HA 0.493 5.044 4.550 0.001 0.000 0.336 240 Y C -0.560 174.639 175.900 -1.168 0.000 0.960 240 Y CA -0.856 56.486 58.100 -1.263 0.000 1.164 240 Y CB 0.367 37.887 38.460 -1.567 0.000 1.155 240 Y HN 0.031 nan 8.280 nan 0.000 0.478 241 H N 4.761 123.361 119.070 -0.784 0.000 2.954 241 H HA 0.199 4.756 4.556 0.001 0.000 0.361 241 H C -0.564 174.409 175.328 -0.592 0.000 1.122 241 H CA -0.901 54.811 56.048 -0.559 0.000 1.217 241 H CB 1.874 31.452 29.762 -0.307 0.000 1.776 241 H HN 0.686 nan 8.280 nan 0.000 0.533 242 Q N 1.449 121.033 119.800 -0.361 0.000 2.434 242 Q HA -0.250 4.091 4.340 0.001 0.000 0.299 242 Q C -0.412 175.376 176.000 -0.353 0.000 1.286 242 Q CA 1.183 56.819 55.803 -0.278 0.000 0.872 242 Q CB -1.248 27.396 28.738 -0.156 0.000 1.193 242 Q HN 0.878 nan 8.270 nan 0.000 0.466 243 E N -2.601 117.226 120.200 -0.621 0.000 2.868 243 E HA -0.209 4.142 4.350 0.001 0.000 0.278 243 E C -0.813 175.585 176.600 -0.338 0.000 1.009 243 E CA 0.734 56.859 56.400 -0.458 0.000 0.856 243 E CB -1.162 28.459 29.700 -0.133 0.000 1.428 243 E HN 0.415 nan 8.360 nan 0.000 0.423 244 S N -0.934 114.407 115.700 -0.599 0.000 2.564 244 S HA 0.572 5.043 4.470 0.001 0.000 0.274 244 S C -1.005 173.460 174.600 -0.226 0.000 1.124 244 S CA -0.840 57.252 58.200 -0.181 0.000 0.869 244 S CB 1.088 64.253 63.200 -0.059 0.000 1.105 244 S HN 0.269 nan 8.310 nan 0.000 0.472 245 W N 1.263 122.649 121.300 0.144 0.000 2.438 245 W HA 0.529 5.190 4.660 0.001 0.000 0.324 245 W C 0.133 176.673 176.519 0.035 0.000 1.119 245 W CA -0.277 57.145 57.345 0.128 0.000 1.221 245 W CB 1.246 30.768 29.460 0.104 0.000 1.253 245 W HN 0.353 nan 8.180 nan 0.000 0.555 246 T N 2.580 117.289 114.554 0.257 0.000 2.797 246 T HA 0.618 4.969 4.350 0.001 0.000 0.279 246 T C -0.299 174.378 174.700 -0.039 0.000 0.991 246 T CA -0.527 61.635 62.100 0.104 0.000 0.979 246 T CB 1.051 69.978 68.868 0.098 0.000 0.943 246 T HN 0.468 nan 8.240 nan 0.000 0.444 247 A N 2.992 125.669 122.820 -0.237 0.000 2.301 247 A HA 0.482 4.803 4.320 0.001 0.000 0.298 247 A C 0.513 177.751 177.584 -0.576 0.000 1.185 247 A CA -0.859 50.803 52.037 -0.626 0.000 0.830 247 A CB 0.258 18.577 19.000 -1.135 0.000 1.112 247 A HN 0.846 nan 8.150 nan 0.000 0.508 248 D N 2.716 122.839 120.400 -0.460 0.000 2.713 248 D HA 0.116 4.757 4.640 0.001 0.000 0.229 248 D C -0.827 175.279 176.300 -0.323 0.000 1.136 248 D CA -0.155 53.682 54.000 -0.271 0.000 1.010 248 D CB -0.499 40.234 40.800 -0.112 0.000 1.084 248 D HN 0.334 nan 8.370 nan 0.000 0.495 249 Y N 0.923 121.100 120.300 -0.205 0.000 2.397 249 Y HA 0.262 4.813 4.550 0.001 0.000 0.335 249 Y C 1.212 176.934 175.900 -0.296 0.000 1.213 249 Y CA -0.319 57.610 58.100 -0.284 0.000 1.391 249 Y CB 0.672 39.000 38.460 -0.219 0.000 1.293 249 Y HN 0.160 nan 8.280 nan 0.000 0.557 250 R N 2.758 123.117 120.500 -0.236 0.000 2.574 250 R HA 0.567 4.907 4.340 0.001 0.000 0.288 250 R C -1.263 174.713 176.300 -0.540 0.000 1.004 250 R CA -0.749 55.132 56.100 -0.366 0.000 0.895 250 R CB 1.210 31.298 30.300 -0.353 0.000 1.191 250 R HN 0.779 nan 8.270 nan 0.000 0.444 251 R N 3.791 123.838 120.500 -0.756 0.000 2.750 251 R HA 0.481 4.822 4.340 0.001 0.000 0.281 251 R C -0.842 174.900 176.300 -0.930 0.000 0.972 251 R CA -0.942 54.650 56.100 -0.847 0.000 0.912 251 R CB 2.274 32.073 30.300 -0.835 0.000 1.187 251 R HN 0.510 nan 8.270 nan 0.000 0.464 252 I N 1.613 121.697 120.570 -0.810 0.000 2.412 252 I HA 0.406 4.577 4.170 0.001 0.000 0.296 252 I C -0.665 175.050 176.117 -0.671 0.000 0.987 252 I CA -0.745 60.111 61.300 -0.741 0.000 1.180 252 I CB 1.070 38.576 38.000 -0.823 0.000 1.340 252 I HN 0.519 nan 8.210 nan 0.000 0.455 253 R N 7.715 127.955 120.500 -0.434 0.000 2.561 253 R HA 0.657 4.998 4.340 0.001 0.000 0.297 253 R C -1.732 174.390 176.300 -0.297 0.000 0.969 253 R CA -0.606 55.329 56.100 -0.275 0.000 0.879 253 R CB 1.739 32.028 30.300 -0.019 0.000 1.178 253 R HN 0.676 nan 8.270 nan 0.000 0.445 254 I N 0.583 121.015 120.570 -0.229 0.000 2.769 254 I HA 0.547 4.718 4.170 0.001 0.000 0.298 254 I C -1.567 174.479 176.117 -0.118 0.000 1.128 254 I CA -0.865 60.325 61.300 -0.184 0.000 1.031 254 I CB 2.437 40.365 38.000 -0.121 0.000 1.235 254 I HN 0.213 nan 8.210 nan 0.000 0.423 255 V N 4.327 124.241 119.914 0.001 0.000 2.483 255 V HA 0.847 4.968 4.120 0.001 0.000 0.297 255 V C -0.202 175.930 176.094 0.064 0.000 1.027 255 V CA 0.024 62.357 62.300 0.055 0.000 0.855 255 V CB 1.391 33.316 31.823 0.171 0.000 0.995 255 V HN 1.084 nan 8.190 nan 0.000 0.424 256 S N 5.047 120.791 115.700 0.075 0.000 2.588 256 S HA 0.910 5.380 4.470 0.001 0.000 0.275 256 S C -1.253 173.534 174.600 0.311 0.000 1.130 256 S CA -0.787 57.520 58.200 0.178 0.000 0.855 256 S CB 2.292 65.560 63.200 0.113 0.000 1.116 256 S HN 0.338 nan 8.310 nan 0.000 0.472 257 I N 1.134 121.930 120.570 0.376 0.000 2.647 257 I HA 0.498 4.669 4.170 0.001 0.000 0.295 257 I C -0.348 175.968 176.117 0.332 0.000 1.078 257 I CA -0.583 60.919 61.300 0.336 0.000 1.048 257 I CB 2.222 40.333 38.000 0.185 0.000 1.239 257 I HN 0.809 nan 8.210 nan 0.000 0.421 258 K N 4.584 125.085 120.400 0.168 0.000 2.297 258 K HA 0.685 5.006 4.320 0.001 0.000 0.286 258 K C 0.092 176.664 176.600 -0.046 0.000 1.053 258 K CA -0.356 55.849 56.287 -0.137 0.000 0.940 258 K CB 0.777 33.119 32.500 -0.262 0.000 1.019 258 K HN 0.784 nan 8.250 nan 0.000 0.475 259 A N 3.910 126.705 122.820 -0.043 0.000 2.521 259 A HA 0.044 4.365 4.320 0.001 0.000 0.237 259 A C -0.229 177.344 177.584 -0.017 0.000 1.087 259 A CA 0.474 52.508 52.037 -0.005 0.000 0.777 259 A CB 0.105 19.108 19.000 0.004 0.000 1.035 259 A HN 0.950 nan 8.150 nan 0.000 0.510 260 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 260 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 260 Q CA 0.000 55.800 55.803 -0.004 0.000 1.022 260 Q CB 0.000 28.737 28.738 -0.001 0.000 1.108 260 Q HN 0.000 nan 8.270 nan 0.000 0.481