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 2vd3_1_A DATA FIRST_RESID -1 DATA SEQUENCE AVPKIRIAVP SKGRISEPAI RLLENAGVGL KDTVNRKLFS KTQHPQIEVM DATA SEQUENCE FSRAADIPEF VADGAADLGI TGYDLIVERG SDVEILEDLK YGRASLVLAA DATA SEQUENCE PEDSTIRGPE DIPRGAVIAT EFPGITENYL REHGIDAEVV ELTGSTEIAP DATA SEQUENCE FIGVADLITD LSSTGTTLRM NHLRVIDTIL ESSVKLIANR ESYATKSGII DATA SEQUENCE EELRTGIRGV IDAEGKRLVM LNIDRKNLDR VRALMPGMTG PTVSEVLSDN DATA SEQUENCE GVVAVHAVVD EKEVFNLINR LKAVGARDIL VVPIERIIP 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 -1 A HA 0.000 nan 4.320 nan 0.000 0.244 -1 A C 0.000 177.579 177.584 -0.009 0.000 1.274 -1 A CA 0.000 52.031 52.037 -0.009 0.000 0.836 -1 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 0 V N 2.263 122.172 119.914 -0.009 0.000 2.760 0 V HA 0.643 4.764 4.120 0.000 0.000 0.309 0 V C -2.848 173.240 176.094 -0.010 0.000 1.077 0 V CA -1.223 61.073 62.300 -0.006 0.000 0.910 0 V CB 1.505 33.329 31.823 0.002 0.000 1.008 0 V HN 0.573 nan 8.190 nan 0.000 0.424 1 P HA 0.555 nan 4.420 nan 0.000 0.294 1 P C -1.006 176.280 177.300 -0.024 0.000 1.294 1 P CA -0.665 62.421 63.100 -0.024 0.000 0.827 1 P CB 1.099 32.779 31.700 -0.034 0.000 0.992 2 K N 2.023 122.406 120.400 -0.029 0.000 2.110 2 K HA 0.590 4.910 4.320 0.000 0.000 0.263 2 K C 0.228 176.802 176.600 -0.044 0.000 0.975 2 K CA -0.831 55.435 56.287 -0.034 0.000 0.895 2 K CB 1.224 33.703 32.500 -0.035 0.000 1.060 2 K HN 0.533 nan 8.250 nan 0.000 0.448 3 I N -1.392 119.146 120.570 -0.052 0.000 2.603 3 I HA 0.550 4.720 4.170 0.000 0.000 0.300 3 I C -0.668 175.430 176.117 -0.031 0.000 1.017 3 I CA -1.072 60.202 61.300 -0.044 0.000 1.098 3 I CB 2.014 39.982 38.000 -0.054 0.000 1.279 3 I HN 0.446 nan 8.210 nan 0.000 0.437 4 R N 5.162 125.656 120.500 -0.010 0.000 2.393 4 R HA 0.636 4.976 4.340 0.000 0.000 0.315 4 R C -1.702 174.612 176.300 0.022 0.000 0.952 4 R CA -0.686 55.422 56.100 0.013 0.000 0.842 4 R CB 1.876 32.198 30.300 0.037 0.000 1.163 4 R HN 0.921 nan 8.270 nan 0.000 0.450 5 I N 3.497 124.072 120.570 0.009 0.000 2.354 5 I HA 0.434 4.604 4.170 0.000 0.000 0.292 5 I C -0.569 175.554 176.117 0.010 0.000 0.989 5 I CA -0.403 60.907 61.300 0.017 0.000 1.188 5 I CB 1.589 39.594 38.000 0.008 0.000 1.342 5 I HN 0.807 nan 8.210 nan 0.000 0.457 6 A N 7.486 130.338 122.820 0.054 0.000 2.354 6 A HA 0.611 4.931 4.320 0.000 0.000 0.281 6 A C -0.784 176.847 177.584 0.078 0.000 1.174 6 A CA -0.297 51.788 52.037 0.080 0.000 0.828 6 A CB 0.375 19.478 19.000 0.171 0.000 1.099 6 A HN 0.537 nan 8.150 nan 0.000 0.516 7 V N 5.464 125.419 119.914 0.068 0.000 2.588 7 V HA 0.350 4.470 4.120 0.000 0.000 0.304 7 V C -2.410 173.814 176.094 0.216 0.000 1.042 7 V CA -1.829 60.547 62.300 0.128 0.000 0.877 7 V CB 2.025 33.910 31.823 0.104 0.000 0.996 7 V HN 0.754 nan 8.190 nan 0.000 0.425 8 P HA 0.075 nan 4.420 nan 0.000 0.266 8 P C 0.565 177.980 177.300 0.192 0.000 1.195 8 P CA 0.269 63.468 63.100 0.165 0.000 0.768 8 P CB 0.619 32.395 31.700 0.127 0.000 0.838 9 S N 2.423 118.202 115.700 0.133 0.000 2.456 9 S HA 0.052 4.522 4.470 0.000 0.000 0.224 9 S C 0.568 175.145 174.600 -0.039 0.000 1.035 9 S CA 0.344 58.558 58.200 0.023 0.000 0.940 9 S CB -0.302 62.907 63.200 0.015 0.000 0.799 9 S HN 0.557 nan 8.310 nan 0.000 0.508 10 K N -0.055 120.348 120.400 0.003 0.000 2.466 10 K HA 0.688 5.008 4.320 0.000 0.000 0.260 10 K C 0.191 176.803 176.600 0.021 0.000 1.011 10 K CA -0.545 55.739 56.287 -0.005 0.000 0.871 10 K CB 1.214 33.706 32.500 -0.015 0.000 1.404 10 K HN 0.423 nan 8.250 nan 0.000 0.450 11 G N 0.702 109.513 108.800 0.018 0.000 2.728 11 G HA2 -0.286 3.674 3.960 0.000 0.000 0.294 11 G HA3 -0.286 3.674 3.960 0.000 0.000 0.294 11 G C 0.384 175.314 174.900 0.051 0.000 1.342 11 G CA 0.053 45.172 45.100 0.032 0.000 0.866 11 G HN 0.948 nan 8.290 nan 0.000 0.534 12 R N -0.355 120.182 120.500 0.063 0.000 2.115 12 R HA 0.074 4.414 4.340 0.000 0.000 0.230 12 R C 2.403 178.792 176.300 0.148 0.000 1.111 12 R CA 1.936 58.088 56.100 0.086 0.000 0.976 12 R CB -0.295 30.052 30.300 0.079 0.000 0.870 12 R HN 0.578 nan 8.270 nan 0.000 0.445 13 I N 1.351 122.019 120.570 0.163 0.000 2.493 13 I HA -0.180 3.990 4.170 0.000 0.000 0.254 13 I C 2.568 178.833 176.117 0.247 0.000 1.160 13 I CA 0.894 62.359 61.300 0.274 0.000 1.445 13 I CB -0.248 37.851 38.000 0.164 0.000 1.086 13 I HN 0.266 nan 8.210 nan 0.000 0.433 14 S N 0.908 116.693 115.700 0.143 0.000 2.349 14 S HA -0.238 4.232 4.470 0.000 0.000 0.216 14 S C 1.973 176.623 174.600 0.083 0.000 1.033 14 S CA 1.750 60.018 58.200 0.113 0.000 1.021 14 S CB -0.174 63.066 63.200 0.066 0.000 0.968 14 S HN 0.404 nan 8.310 nan 0.000 0.426 15 E N 0.687 120.911 120.200 0.040 0.000 2.070 15 E HA -0.116 4.234 4.350 0.000 0.000 0.197 15 E C -0.671 175.901 176.600 -0.046 0.000 1.004 15 E CA 1.720 58.122 56.400 0.003 0.000 0.805 15 E CB -0.749 28.946 29.700 -0.008 0.000 0.744 15 E HN 0.491 nan 8.360 nan 0.000 0.451 16 P HA -0.141 nan 4.420 nan 0.000 0.218 16 P C 0.902 178.000 177.300 -0.336 0.000 1.149 16 P CA 1.619 64.519 63.100 -0.334 0.000 0.817 16 P CB 0.017 31.305 31.700 -0.686 0.000 0.785 17 A N -0.549 122.189 122.820 -0.138 0.000 1.902 17 A HA -0.166 4.154 4.320 0.000 0.000 0.217 17 A C 2.207 179.807 177.584 0.028 0.000 1.181 17 A CA 1.384 53.435 52.037 0.024 0.000 0.623 17 A CB -1.589 17.514 19.000 0.170 0.000 0.818 17 A HN 0.116 nan 8.150 nan 0.000 0.443 18 I N -1.124 119.472 120.570 0.043 0.000 2.252 18 I HA -0.245 3.925 4.170 0.000 0.000 0.245 18 I C 2.788 178.915 176.117 0.017 0.000 1.102 18 I CA 1.290 62.626 61.300 0.061 0.000 1.385 18 I CB -0.299 37.757 38.000 0.093 0.000 1.064 18 I HN 0.271 nan 8.210 nan 0.000 0.414 19 R N 0.212 120.697 120.500 -0.026 0.000 2.096 19 R HA -0.195 4.145 4.340 0.000 0.000 0.235 19 R C 2.299 178.574 176.300 -0.042 0.000 1.127 19 R CA 1.403 57.479 56.100 -0.040 0.000 0.968 19 R CB -0.434 29.823 30.300 -0.071 0.000 0.861 19 R HN 0.258 nan 8.270 nan 0.000 0.440 20 L N 1.010 122.195 121.223 -0.064 0.000 2.017 20 L HA -0.141 4.199 4.340 0.000 0.000 0.208 20 L C 1.881 178.751 176.870 -0.000 0.000 1.073 20 L CA 1.683 56.499 54.840 -0.040 0.000 0.745 20 L CB -0.434 41.596 42.059 -0.048 0.000 0.894 20 L HN 0.114 nan 8.230 nan 0.000 0.432 21 L N -0.319 120.912 121.223 0.014 0.000 2.012 21 L HA -0.229 4.111 4.340 0.000 0.000 0.210 21 L C 2.647 179.532 176.870 0.025 0.000 1.073 21 L CA 1.637 56.493 54.840 0.026 0.000 0.748 21 L CB -0.746 41.333 42.059 0.033 0.000 0.891 21 L HN 0.421 nan 8.230 nan 0.000 0.431 22 E N 0.973 121.186 120.200 0.021 0.000 2.049 22 E HA -0.269 4.081 4.350 0.000 0.000 0.198 22 E C 1.817 178.426 176.600 0.015 0.000 1.007 22 E CA 2.049 58.461 56.400 0.020 0.000 0.809 22 E CB -0.143 29.566 29.700 0.014 0.000 0.749 22 E HN 0.345 nan 8.360 nan 0.000 0.450 23 N N -0.200 118.504 118.700 0.007 0.000 2.381 23 N HA -0.046 4.694 4.740 0.000 0.000 0.182 23 N C 1.040 176.559 175.510 0.014 0.000 1.025 23 N CA 1.206 54.260 53.050 0.006 0.000 0.888 23 N CB -0.295 38.191 38.487 -0.003 0.000 0.965 23 N HN 0.336 nan 8.380 nan 0.000 0.438 24 A N -0.450 122.383 122.820 0.020 0.000 2.238 24 A HA 0.443 4.763 4.320 0.000 0.000 0.208 24 A C 1.500 179.106 177.584 0.037 0.000 1.177 24 A CA 0.669 52.723 52.037 0.028 0.000 0.804 24 A CB -0.385 18.633 19.000 0.030 0.000 0.823 24 A HN 0.281 nan 8.150 nan 0.000 0.482 25 G N -2.163 106.659 108.800 0.035 0.000 2.141 25 G HA2 -0.194 3.766 3.960 0.000 0.000 0.242 25 G HA3 -0.194 3.766 3.960 0.000 0.000 0.242 25 G C 0.298 175.235 174.900 0.061 0.000 0.982 25 G CA 0.231 45.357 45.100 0.043 0.000 0.662 25 G HN 0.899 nan 8.290 nan 0.000 0.527 26 V N 1.151 121.098 119.914 0.056 0.000 2.804 26 V HA 0.573 4.693 4.120 0.000 0.000 0.360 26 V C 1.423 177.546 176.094 0.048 0.000 1.282 26 V CA -0.139 62.199 62.300 0.063 0.000 1.274 26 V CB 0.428 32.281 31.823 0.050 0.000 1.415 26 V HN 0.765 nan 8.190 nan 0.000 0.610 27 G N 0.365 109.192 108.800 0.044 0.000 2.594 27 G HA2 0.409 4.369 3.960 0.000 0.000 0.243 27 G HA3 0.409 4.369 3.960 0.000 0.000 0.243 27 G C -0.059 174.871 174.900 0.049 0.000 1.229 27 G CA -0.456 44.670 45.100 0.043 0.000 0.843 27 G HN 0.417 nan 8.290 nan 0.000 0.578 28 L N 0.660 121.920 121.223 0.060 0.000 2.499 28 L HA 0.167 4.507 4.340 0.000 0.000 0.273 28 L C 0.893 177.801 176.870 0.063 0.000 1.195 28 L CA 0.376 55.259 54.840 0.072 0.000 0.882 28 L CB 0.473 42.606 42.059 0.122 0.000 1.133 28 L HN 0.395 nan 8.230 nan 0.000 0.483 29 K N 4.085 124.520 120.400 0.058 0.000 2.425 29 K HA 0.134 4.454 4.320 0.000 0.000 0.259 29 K C -0.840 175.791 176.600 0.052 0.000 0.978 29 K CA -0.511 55.805 56.287 0.048 0.000 0.883 29 K CB 0.835 33.359 32.500 0.039 0.000 1.110 29 K HN 0.616 nan 8.250 nan 0.000 0.436 30 D N 2.144 122.574 120.400 0.049 0.000 2.800 30 D HA -0.115 4.525 4.640 0.000 0.000 0.232 30 D C -0.841 175.496 176.300 0.062 0.000 1.137 30 D CA 1.061 55.089 54.000 0.047 0.000 0.718 30 D CB -1.264 39.558 40.800 0.037 0.000 1.084 30 D HN 0.572 nan 8.370 nan 0.000 0.432 31 T N 0.450 115.052 114.554 0.080 0.000 2.754 31 T HA 0.288 4.638 4.350 0.000 0.000 0.282 31 T C 1.048 175.802 174.700 0.089 0.000 0.923 31 T CA -0.460 61.708 62.100 0.113 0.000 1.164 31 T CB 0.941 69.906 68.868 0.163 0.000 0.873 31 T HN -0.034 nan 8.240 nan 0.000 0.537 32 V N 4.762 124.728 119.914 0.086 0.000 2.715 32 V HA 0.108 4.228 4.120 0.000 0.000 0.299 32 V C 0.865 176.998 176.094 0.066 0.000 1.054 32 V CA -0.828 61.510 62.300 0.064 0.000 1.077 32 V CB 0.216 32.075 31.823 0.059 0.000 0.972 32 V HN 0.800 nan 8.190 nan 0.000 0.484 33 N N 3.332 122.054 118.700 0.037 0.000 2.525 33 N HA 0.418 5.158 4.740 0.000 0.000 0.271 33 N C 0.593 176.117 175.510 0.023 0.000 1.194 33 N CA -0.498 52.563 53.050 0.017 0.000 0.964 33 N CB 0.220 38.706 38.487 -0.002 0.000 1.126 33 N HN 0.603 nan 8.380 nan 0.000 0.452 34 R N -2.570 117.937 120.500 0.013 0.000 3.854 34 R HA -0.170 4.170 4.340 0.000 0.000 0.430 34 R C -0.706 175.623 176.300 0.047 0.000 1.068 34 R CA 0.967 57.079 56.100 0.020 0.000 1.104 34 R CB -2.164 28.148 30.300 0.021 0.000 1.729 34 R HN 0.635 nan 8.270 nan 0.000 0.533 35 K N 1.136 121.582 120.400 0.076 0.000 2.185 35 K HA 0.473 4.793 4.320 0.000 0.000 0.269 35 K C 0.643 177.333 176.600 0.151 0.000 0.987 35 K CA -0.074 56.288 56.287 0.124 0.000 0.865 35 K CB 1.308 33.900 32.500 0.154 0.000 1.090 35 K HN 0.120 nan 8.250 nan 0.000 0.450 36 L N 0.688 121.949 121.223 0.062 0.000 2.375 36 L HA 0.387 4.728 4.340 0.000 0.000 0.215 36 L C -0.369 176.269 176.870 -0.387 0.000 1.108 36 L CA 0.756 55.519 54.840 -0.128 0.000 0.830 36 L CB 0.052 41.916 42.059 -0.325 0.000 0.959 36 L HN 0.735 nan 8.230 nan 0.000 0.457 37 F N -1.915 118.070 119.950 0.059 0.000 2.556 37 F HA 0.580 5.107 4.527 -0.000 0.000 0.327 37 F C 0.279 176.067 175.800 -0.020 0.000 1.059 37 F CA -0.729 57.245 58.000 -0.044 0.000 0.953 37 F CB 1.800 40.773 39.000 -0.045 0.000 1.227 37 F HN -0.380 nan 8.300 nan 0.000 0.478 38 S N 1.292 117.050 115.700 0.096 0.000 2.536 38 S HA 0.453 4.923 4.470 0.000 0.000 0.271 38 S C -1.083 173.539 174.600 0.037 0.000 1.134 38 S CA -0.988 57.254 58.200 0.070 0.000 0.897 38 S CB 1.028 64.265 63.200 0.062 0.000 1.094 38 S HN 0.569 nan 8.310 nan 0.000 0.473 39 K N 1.733 122.162 120.400 0.048 0.000 2.180 39 K HA 0.405 4.725 4.320 0.000 0.000 0.251 39 K C 0.574 177.195 176.600 0.034 0.000 1.014 39 K CA -0.252 56.056 56.287 0.034 0.000 0.913 39 K CB 0.486 33.007 32.500 0.034 0.000 1.008 39 K HN 0.786 nan 8.250 nan 0.000 0.490 40 T N -2.500 112.078 114.554 0.039 0.000 2.883 40 T HA 0.130 4.480 4.350 0.000 0.000 0.284 40 T C 0.852 175.588 174.700 0.060 0.000 1.041 40 T CA -0.886 61.242 62.100 0.048 0.000 1.007 40 T CB 1.221 70.117 68.868 0.046 0.000 1.220 40 T HN 0.326 nan 8.240 nan 0.000 0.552 41 Q N -0.060 119.778 119.800 0.063 0.000 2.364 41 Q HA -0.030 4.310 4.340 0.000 0.000 0.207 41 Q C 0.378 176.414 176.000 0.061 0.000 0.970 41 Q CA 0.998 56.832 55.803 0.050 0.000 0.888 41 Q CB -0.388 28.374 28.738 0.040 0.000 0.951 41 Q HN 0.665 nan 8.270 nan 0.000 0.469 42 H N 0.879 119.951 119.070 0.002 0.000 2.552 42 H HA 0.133 4.689 4.556 0.000 0.000 0.311 42 H C -1.837 173.488 175.328 -0.005 0.000 1.071 42 H CA -2.253 53.794 56.048 -0.002 0.000 1.307 42 H CB 1.732 31.493 29.762 -0.001 0.000 1.416 42 H HN -0.187 nan 8.280 nan 0.000 0.464 43 P HA -0.064 nan 4.420 nan 0.000 0.228 43 P C 0.480 177.879 177.300 0.166 0.000 1.151 43 P CA 1.149 64.312 63.100 0.104 0.000 0.770 43 P CB 0.338 32.044 31.700 0.010 0.000 0.786 44 Q N -1.334 118.676 119.800 0.350 0.000 2.247 44 Q HA 0.236 4.576 4.340 0.000 0.000 0.211 44 Q C 0.198 176.191 176.000 -0.011 0.000 0.861 44 Q CA -0.021 55.856 55.803 0.124 0.000 0.949 44 Q CB 0.498 29.298 28.738 0.104 0.000 1.115 44 Q HN 0.294 nan 8.270 nan 0.000 0.507 45 I N 2.008 122.581 120.570 0.005 0.000 2.389 45 I HA 0.201 4.371 4.170 0.000 0.000 0.288 45 I C -0.119 175.994 176.117 -0.007 0.000 0.999 45 I CA -0.688 60.582 61.300 -0.050 0.000 1.129 45 I CB 1.484 39.420 38.000 -0.106 0.000 1.288 45 I HN 0.069 nan 8.210 nan 0.000 0.444 46 E N 6.404 126.594 120.200 -0.017 0.000 2.281 46 E HA 0.701 5.051 4.350 0.000 0.000 0.262 46 E C -1.658 174.928 176.600 -0.022 0.000 0.933 46 E CA -0.764 55.632 56.400 -0.007 0.000 0.809 46 E CB 2.659 32.359 29.700 0.000 0.000 1.242 46 E HN 0.270 nan 8.360 nan 0.000 0.418 47 V N 2.752 122.627 119.914 -0.065 0.000 2.448 47 V HA 0.309 4.429 4.120 0.000 0.000 0.295 47 V C -0.283 175.658 176.094 -0.255 0.000 1.025 47 V CA -0.720 61.461 62.300 -0.200 0.000 0.859 47 V CB 1.483 33.093 31.823 -0.356 0.000 0.988 47 V HN 0.791 nan 8.190 nan 0.000 0.431 48 M N 5.594 125.064 119.600 -0.216 0.000 2.149 48 M HA 0.547 5.027 4.480 0.000 0.000 0.342 48 M C -1.314 174.785 176.300 -0.335 0.000 1.068 48 M CA -0.389 54.722 55.300 -0.315 0.000 0.991 48 M CB 0.708 33.223 32.600 -0.142 0.000 1.596 48 M HN 0.545 nan 8.290 nan 0.000 0.439 49 F N 3.387 123.248 119.950 -0.148 0.000 2.466 49 F HA 0.249 4.776 4.527 0.000 0.000 0.363 49 F C 0.292 176.066 175.800 -0.043 0.000 1.109 49 F CA 0.018 57.975 58.000 -0.071 0.000 1.161 49 F CB 0.627 39.585 39.000 -0.071 0.000 1.117 49 F HN 0.497 nan 8.300 nan 0.000 0.539 50 S N 3.218 119.056 115.700 0.231 0.000 2.548 50 S HA 0.503 4.973 4.470 0.000 0.000 0.286 50 S C -0.327 174.372 174.600 0.166 0.000 1.098 50 S CA -1.051 57.299 58.200 0.250 0.000 0.930 50 S CB 1.809 65.248 63.200 0.398 0.000 1.070 50 S HN 0.510 nan 8.310 nan 0.000 0.480 51 R N 0.831 121.399 120.500 0.112 0.000 2.590 51 R HA 0.244 4.584 4.340 0.000 0.000 0.274 51 R C 1.379 177.676 176.300 -0.006 0.000 1.061 51 R CA 0.136 56.259 56.100 0.038 0.000 1.081 51 R CB 0.262 30.567 30.300 0.008 0.000 0.984 51 R HN 0.825 nan 8.270 nan 0.000 0.448 52 A N 3.076 125.900 122.820 0.007 0.000 1.978 52 A HA -0.218 4.102 4.320 0.000 0.000 0.220 52 A C 1.979 179.537 177.584 -0.043 0.000 1.170 52 A CA 2.051 54.090 52.037 0.003 0.000 0.636 52 A CB -0.450 18.567 19.000 0.028 0.000 0.810 52 A HN 0.826 nan 8.150 nan 0.000 0.448 53 A N -0.950 121.829 122.820 -0.068 0.000 2.119 53 A HA -0.006 4.314 4.320 0.000 0.000 0.216 53 A C 1.488 178.965 177.584 -0.179 0.000 1.152 53 A CA 1.399 53.380 52.037 -0.095 0.000 0.708 53 A CB -0.204 18.742 19.000 -0.091 0.000 0.805 53 A HN 0.423 nan 8.150 nan 0.000 0.460 54 D N -0.392 119.840 120.400 -0.281 0.000 2.346 54 D HA 0.096 4.736 4.640 0.000 0.000 0.206 54 D C 1.742 177.593 176.300 -0.747 0.000 1.001 54 D CA 0.241 53.879 54.000 -0.603 0.000 0.871 54 D CB -0.037 40.266 40.800 -0.829 0.000 0.943 54 D HN 0.480 nan 8.370 nan 0.000 0.518 55 I N 1.638 121.998 120.570 -0.349 0.000 2.208 55 I HA -0.192 3.978 4.170 0.000 0.000 0.245 55 I C -0.641 175.433 176.117 -0.072 0.000 1.097 55 I CA 1.155 62.375 61.300 -0.132 0.000 1.363 55 I CB -1.398 36.605 38.000 0.005 0.000 1.051 55 I HN -0.029 nan 8.210 nan 0.000 0.413 56 P HA -0.187 nan 4.420 nan 0.000 0.214 56 P C 1.474 178.758 177.300 -0.027 0.000 1.163 56 P CA 1.424 64.501 63.100 -0.039 0.000 0.889 56 P CB -0.034 31.635 31.700 -0.051 0.000 0.790 57 E N -1.355 118.793 120.200 -0.087 0.000 2.051 57 E HA -0.140 4.210 4.350 0.000 0.000 0.192 57 E C 1.995 178.671 176.600 0.127 0.000 0.991 57 E CA 1.079 57.465 56.400 -0.024 0.000 0.799 57 E CB -0.909 28.744 29.700 -0.077 0.000 0.748 57 E HN 0.239 nan 8.360 nan 0.000 0.449 58 F N 0.645 120.609 119.950 0.023 0.000 2.161 58 F HA -0.160 4.367 4.527 -0.000 0.000 0.300 58 F C 2.499 178.318 175.800 0.032 0.000 1.089 58 F CA 0.531 58.549 58.000 0.029 0.000 1.282 58 F CB -1.224 37.794 39.000 0.030 0.000 1.010 58 F HN -0.132 nan 8.300 nan 0.000 0.485 59 V N -0.359 119.686 119.914 0.218 0.000 2.488 59 V HA -0.153 3.967 4.120 0.000 0.000 0.246 59 V C 2.586 178.741 176.094 0.101 0.000 1.046 59 V CA 1.344 63.725 62.300 0.136 0.000 1.053 59 V CB -1.312 30.573 31.823 0.103 0.000 0.679 59 V HN 0.306 nan 8.190 nan 0.000 0.458 60 A N -0.157 122.715 122.820 0.086 0.000 1.933 60 A HA -0.232 4.088 4.320 0.000 0.000 0.218 60 A C 1.962 179.588 177.584 0.070 0.000 1.175 60 A CA 2.033 54.108 52.037 0.064 0.000 0.628 60 A CB -0.438 18.589 19.000 0.045 0.000 0.814 60 A HN 0.532 nan 8.150 nan 0.000 0.444 61 D N -1.980 118.476 120.400 0.094 0.000 2.305 61 D HA 0.214 4.854 4.640 0.000 0.000 0.206 61 D C 1.414 177.758 176.300 0.073 0.000 0.974 61 D CA 1.308 55.359 54.000 0.085 0.000 0.871 61 D CB 0.227 41.092 40.800 0.109 0.000 0.947 61 D HN 0.617 nan 8.370 nan 0.000 0.516 62 G N 0.382 109.231 108.800 0.082 0.000 2.148 62 G HA2 -0.245 3.715 3.960 0.000 0.000 0.203 62 G HA3 -0.245 3.715 3.960 0.000 0.000 0.203 62 G C 1.174 176.102 174.900 0.046 0.000 0.993 62 G CA 0.516 45.652 45.100 0.060 0.000 0.661 62 G HN 0.442 nan 8.290 nan 0.000 0.518 63 A N -0.625 122.227 122.820 0.053 0.000 2.015 63 A HA 0.647 4.967 4.320 0.000 0.000 0.219 63 A C 1.536 179.128 177.584 0.012 0.000 1.163 63 A CA 2.237 54.270 52.037 -0.007 0.000 0.646 63 A CB -0.069 18.863 19.000 -0.114 0.000 0.806 63 A HN 2.171 nan 8.150 nan 0.000 0.448 64 A N -0.757 122.105 122.820 0.071 0.000 2.393 64 A HA 0.539 4.859 4.320 0.000 0.000 0.306 64 A C 0.025 177.655 177.584 0.075 0.000 1.050 64 A CA -0.356 51.728 52.037 0.080 0.000 0.724 64 A CB 0.887 19.960 19.000 0.122 0.000 1.248 64 A HN 0.162 nan 8.150 nan 0.000 0.424 65 D N 0.803 121.236 120.400 0.055 0.000 2.149 65 D HA 0.031 4.671 4.640 0.000 0.000 0.201 65 D C 0.232 176.574 176.300 0.069 0.000 0.972 65 D CA 1.505 55.537 54.000 0.054 0.000 0.835 65 D CB 0.161 40.979 40.800 0.030 0.000 0.966 65 D HN 0.463 nan 8.370 nan 0.000 0.476 66 L N -0.925 120.337 121.223 0.066 0.000 2.376 66 L HA 0.634 4.974 4.340 0.000 0.000 0.258 66 L C 0.020 176.935 176.870 0.076 0.000 1.013 66 L CA -0.916 53.966 54.840 0.070 0.000 0.822 66 L CB 2.753 44.847 42.059 0.058 0.000 1.388 66 L HN -0.155 nan 8.230 nan 0.000 0.413 67 G N 0.803 109.649 108.800 0.078 0.000 2.660 67 G HA2 0.773 4.733 3.960 0.000 0.000 0.294 67 G HA3 0.773 4.733 3.960 0.000 0.000 0.294 67 G C -1.647 173.300 174.900 0.078 0.000 1.369 67 G CA -0.438 44.712 45.100 0.083 0.000 0.912 67 G HN 0.391 nan 8.290 nan 0.000 0.479 68 I N 1.270 121.892 120.570 0.087 0.000 2.411 68 I HA 0.558 4.728 4.170 0.000 0.000 0.284 68 I C 0.064 176.231 176.117 0.084 0.000 1.012 68 I CA -0.353 61.004 61.300 0.096 0.000 1.119 68 I CB 2.167 40.247 38.000 0.133 0.000 1.261 68 I HN 0.557 nan 8.210 nan 0.000 0.448 69 T N 3.330 117.917 114.554 0.053 0.000 2.711 69 T HA 0.566 4.916 4.350 0.000 0.000 0.302 69 T C -0.593 174.111 174.700 0.007 0.000 1.373 69 T CA -0.450 61.670 62.100 0.034 0.000 1.000 69 T CB 1.691 70.577 68.868 0.030 0.000 1.483 69 T HN 0.628 nan 8.240 nan 0.000 0.499 70 G N 0.547 109.350 108.800 0.006 0.000 2.415 70 G HA2 0.399 4.359 3.960 0.000 0.000 0.269 70 G HA3 0.399 4.359 3.960 0.000 0.000 0.269 70 G C 0.142 175.073 174.900 0.052 0.000 1.209 70 G CA -0.209 44.894 45.100 0.005 0.000 0.835 70 G HN 0.716 nan 8.290 nan 0.000 0.534 71 Y N 1.620 121.879 120.300 -0.068 0.000 2.224 71 Y HA -0.240 4.310 4.550 0.000 0.000 0.289 71 Y C 2.534 178.404 175.900 -0.050 0.000 1.146 71 Y CA 2.466 60.532 58.100 -0.056 0.000 1.182 71 Y CB 0.041 38.460 38.460 -0.068 0.000 0.983 71 Y HN 0.664 nan 8.280 nan 0.000 0.524 72 D N -0.072 120.266 120.400 -0.102 0.000 2.133 72 D HA -0.261 4.379 4.640 0.000 0.000 0.195 72 D C 2.028 178.281 176.300 -0.078 0.000 0.997 72 D CA 2.093 55.968 54.000 -0.209 0.000 0.840 72 D CB -1.094 39.524 40.800 -0.303 0.000 0.947 72 D HN 0.469 nan 8.370 nan 0.000 0.452 73 L N -0.149 121.084 121.223 0.017 0.000 2.056 73 L HA -0.033 4.307 4.340 0.000 0.000 0.207 73 L C 2.819 179.669 176.870 -0.033 0.000 1.078 73 L CA 0.730 55.601 54.840 0.052 0.000 0.749 73 L CB -0.430 41.656 42.059 0.045 0.000 0.901 73 L HN -0.010 nan 8.230 nan 0.000 0.433 74 I N -0.641 119.882 120.570 -0.079 0.000 2.163 74 I HA -0.283 3.887 4.170 0.000 0.000 0.243 74 I C 2.488 178.507 176.117 -0.163 0.000 1.085 74 I CA 1.218 62.458 61.300 -0.100 0.000 1.347 74 I CB -0.416 37.544 38.000 -0.067 0.000 1.044 74 I HN 0.026 nan 8.210 nan 0.000 0.408 75 V N 0.598 120.327 119.914 -0.308 0.000 2.358 75 V HA -0.253 3.867 4.120 0.000 0.000 0.246 75 V C 2.532 178.551 176.094 -0.124 0.000 1.047 75 V CA 2.055 64.180 62.300 -0.293 0.000 1.035 75 V CB -0.545 30.986 31.823 -0.486 0.000 0.658 75 V HN 0.410 nan 8.190 nan 0.000 0.452 76 E N 0.586 120.753 120.200 -0.055 0.000 2.058 76 E HA -0.219 4.131 4.350 0.000 0.000 0.194 76 E C 2.345 178.944 176.600 -0.001 0.000 0.997 76 E CA 1.451 57.873 56.400 0.036 0.000 0.801 76 E CB -0.190 29.614 29.700 0.173 0.000 0.746 76 E HN 0.309 nan 8.360 nan 0.000 0.450 77 R N -0.701 119.785 120.500 -0.023 0.000 2.189 77 R HA 0.023 4.363 4.340 0.000 0.000 0.223 77 R C 1.388 177.670 176.300 -0.029 0.000 1.092 77 R CA 0.893 56.974 56.100 -0.032 0.000 0.989 77 R CB -0.655 29.618 30.300 -0.046 0.000 0.876 77 R HN 0.405 nan 8.270 nan 0.000 0.457 78 G N 1.592 110.369 108.800 -0.038 0.000 2.258 78 G HA2 -0.289 3.671 3.960 0.000 0.000 0.274 78 G HA3 -0.289 3.671 3.960 0.000 0.000 0.274 78 G C -0.018 174.869 174.900 -0.021 0.000 1.021 78 G CA 0.670 45.752 45.100 -0.032 0.000 0.798 78 G HN 0.301 nan 8.290 nan 0.000 0.507 79 S N -0.209 115.477 115.700 -0.024 0.000 2.568 79 S HA 0.323 4.793 4.470 0.000 0.000 0.282 79 S C 0.386 174.986 174.600 0.000 0.000 1.338 79 S CA 0.282 58.476 58.200 -0.010 0.000 1.045 79 S CB 1.260 64.453 63.200 -0.013 0.000 0.873 79 S HN 0.492 nan 8.310 nan 0.000 0.516 80 D N 2.071 122.477 120.400 0.010 0.000 2.468 80 D HA 0.375 5.015 4.640 0.000 0.000 0.218 80 D C -0.452 175.861 176.300 0.021 0.000 1.155 80 D CA -0.458 53.551 54.000 0.014 0.000 0.924 80 D CB -0.128 40.681 40.800 0.015 0.000 1.029 80 D HN 0.289 nan 8.370 nan 0.000 0.515 81 V N 0.506 120.432 119.914 0.020 0.000 3.007 81 V HA 0.634 4.754 4.120 0.000 0.000 0.311 81 V C -0.600 175.504 176.094 0.017 0.000 1.120 81 V CA -1.039 61.276 62.300 0.026 0.000 0.980 81 V CB 2.178 34.021 31.823 0.033 0.000 1.033 81 V HN 0.176 nan 8.190 nan 0.000 0.429 82 E N 2.695 122.899 120.200 0.007 0.000 2.167 82 E HA 0.513 4.863 4.350 0.000 0.000 0.284 82 E C -0.545 176.052 176.600 -0.005 0.000 1.016 82 E CA -0.285 56.102 56.400 -0.021 0.000 0.817 82 E CB 1.979 31.633 29.700 -0.077 0.000 1.080 82 E HN 0.713 nan 8.360 nan 0.000 0.397 83 I N 4.236 124.807 120.570 0.001 0.000 2.396 83 I HA 0.003 4.173 4.170 0.000 0.000 0.289 83 I C 1.478 177.587 176.117 -0.014 0.000 1.056 83 I CA -0.059 61.249 61.300 0.013 0.000 1.365 83 I CB 0.586 38.604 38.000 0.030 0.000 1.407 83 I HN 0.392 nan 8.210 nan 0.000 0.509 84 L N 4.832 126.055 121.223 0.000 0.000 2.221 84 L HA 0.228 4.568 4.340 0.000 0.000 0.202 84 L C 0.398 177.271 176.870 0.005 0.000 1.074 84 L CA 0.786 55.626 54.840 -0.001 0.000 0.795 84 L CB 0.031 42.111 42.059 0.035 0.000 0.960 84 L HN 0.578 nan 8.230 nan 0.000 0.458 85 E N -0.303 119.904 120.200 0.012 0.000 2.372 85 E HA 0.180 4.530 4.350 0.000 0.000 0.279 85 E C -1.555 175.045 176.600 -0.001 0.000 0.946 85 E CA -0.503 55.903 56.400 0.010 0.000 0.769 85 E CB 2.392 32.110 29.700 0.030 0.000 1.230 85 E HN -0.049 nan 8.360 nan 0.000 0.442 86 D N 2.177 122.567 120.400 -0.017 0.000 2.256 86 D HA 0.185 4.825 4.640 0.000 0.000 0.250 86 D C 0.493 176.798 176.300 0.007 0.000 1.093 86 D CA -0.235 53.745 54.000 -0.032 0.000 0.882 86 D CB 1.031 41.793 40.800 -0.063 0.000 1.185 86 D HN 0.367 nan 8.370 nan 0.000 0.437 87 L N 2.913 124.146 121.223 0.016 0.000 2.607 87 L HA 0.122 4.462 4.340 0.000 0.000 0.228 87 L C 1.172 178.150 176.870 0.182 0.000 1.123 87 L CA -0.119 54.792 54.840 0.119 0.000 0.890 87 L CB -0.121 42.065 42.059 0.211 0.000 1.103 87 L HN 0.548 nan 8.230 nan 0.000 0.468 88 K N -0.250 120.191 120.400 0.068 0.000 3.209 88 K HA -0.245 4.075 4.320 0.000 0.000 0.289 88 K C -0.502 176.190 176.600 0.153 0.000 1.191 88 K CA 1.214 57.547 56.287 0.077 0.000 0.851 88 K CB -1.538 31.006 32.500 0.074 0.000 1.242 88 K HN 0.552 nan 8.250 nan 0.000 0.480 89 Y N -3.519 116.783 120.300 0.004 0.000 2.669 89 Y HA 0.576 5.126 4.550 0.000 0.000 0.335 89 Y C 0.856 176.762 175.900 0.010 0.000 1.116 89 Y CA -0.809 57.295 58.100 0.007 0.000 1.081 89 Y CB 1.190 39.657 38.460 0.012 0.000 1.297 89 Y HN 0.023 nan 8.280 nan 0.000 0.484 90 G N 1.792 110.599 108.800 0.013 0.000 2.273 90 G HA2 -0.252 3.708 3.960 0.000 0.000 0.280 90 G HA3 -0.252 3.708 3.960 0.000 0.000 0.280 90 G C -0.308 174.533 174.900 -0.098 0.000 1.047 90 G CA 0.084 45.132 45.100 -0.087 0.000 0.869 90 G HN 0.740 nan 8.290 nan 0.000 0.502 91 R N -0.208 120.263 120.500 -0.048 0.000 2.390 91 R HA 0.685 5.025 4.340 0.000 0.000 0.291 91 R C 0.285 176.566 176.300 -0.032 0.000 1.070 91 R CA 0.549 56.621 56.100 -0.046 0.000 1.014 91 R CB 1.320 31.600 30.300 -0.033 0.000 1.007 91 R HN 0.962 nan 8.270 nan 0.000 0.466 92 A N 1.411 124.207 122.820 -0.041 0.000 2.594 92 A HA 0.432 4.752 4.320 0.000 0.000 0.296 92 A C -1.165 176.384 177.584 -0.059 0.000 1.061 92 A CA -0.728 51.283 52.037 -0.043 0.000 0.689 92 A CB 1.945 20.921 19.000 -0.041 0.000 1.280 92 A HN 0.533 nan 8.150 nan 0.000 0.406 93 S N 0.654 116.317 115.700 -0.063 0.000 2.437 93 S HA 0.516 4.986 4.470 0.000 0.000 0.305 93 S C -0.538 173.994 174.600 -0.113 0.000 1.109 93 S CA -0.395 57.758 58.200 -0.078 0.000 1.099 93 S CB 1.126 64.290 63.200 -0.059 0.000 1.004 93 S HN 0.868 nan 8.310 nan 0.000 0.475 94 L N 6.431 127.556 121.223 -0.164 0.000 2.342 94 L HA 0.427 4.767 4.340 0.000 0.000 0.285 94 L C -0.265 176.499 176.870 -0.177 0.000 1.095 94 L CA -0.132 54.580 54.840 -0.212 0.000 0.843 94 L CB 0.032 41.882 42.059 -0.349 0.000 1.201 94 L HN 0.494 nan 8.230 nan 0.000 0.445 95 V N 3.187 123.018 119.914 -0.139 0.000 2.834 95 V HA 0.578 4.698 4.120 0.000 0.000 0.313 95 V C -0.408 175.592 176.094 -0.156 0.000 1.060 95 V CA -1.088 61.130 62.300 -0.138 0.000 0.989 95 V CB 1.793 33.564 31.823 -0.087 0.000 1.041 95 V HN 0.645 nan 8.190 nan 0.000 0.459 96 L N 3.381 124.494 121.223 -0.184 0.000 2.275 96 L HA 0.876 5.216 4.340 0.000 0.000 0.288 96 L C 0.194 177.015 176.870 -0.081 0.000 1.046 96 L CA 0.114 54.858 54.840 -0.159 0.000 0.805 96 L CB 0.547 42.470 42.059 -0.226 0.000 1.193 96 L HN 1.198 nan 8.230 nan 0.000 0.426 97 A N 4.166 126.957 122.820 -0.049 0.000 2.413 97 A HA 0.985 5.305 4.320 0.000 0.000 0.307 97 A C -1.167 176.414 177.584 -0.005 0.000 1.087 97 A CA -0.134 51.889 52.037 -0.023 0.000 0.750 97 A CB 1.596 20.585 19.000 -0.018 0.000 1.296 97 A HN 1.009 nan 8.150 nan 0.000 0.423 98 A N 1.668 124.491 122.820 0.005 0.000 2.401 98 A HA 0.870 5.190 4.320 0.000 0.000 0.310 98 A C -2.979 174.623 177.584 0.029 0.000 1.075 98 A CA -1.975 50.072 52.037 0.017 0.000 0.746 98 A CB 0.874 19.884 19.000 0.016 0.000 1.277 98 A HN 0.503 nan 8.150 nan 0.000 0.425 99 P HA -0.088 nan 4.420 nan 0.000 0.257 99 P C 0.857 178.189 177.300 0.054 0.000 1.162 99 P CA 0.757 63.891 63.100 0.057 0.000 0.762 99 P CB 0.384 32.117 31.700 0.054 0.000 0.753 100 E N 3.018 123.260 120.200 0.070 0.000 2.171 100 E HA -0.281 4.069 4.350 0.000 0.000 0.197 100 E C 0.297 176.928 176.600 0.051 0.000 0.997 100 E CA 1.377 57.811 56.400 0.057 0.000 0.810 100 E CB -0.407 29.334 29.700 0.069 0.000 0.738 100 E HN 0.393 nan 8.360 nan 0.000 0.467 101 D N 1.013 121.447 120.400 0.056 0.000 2.349 101 D HA 0.022 4.662 4.640 0.000 0.000 0.224 101 D C 0.376 176.694 176.300 0.030 0.000 1.029 101 D CA 0.256 54.281 54.000 0.042 0.000 0.879 101 D CB 0.292 41.116 40.800 0.040 0.000 0.906 101 D HN 0.065 nan 8.370 nan 0.000 0.528 102 S N -0.464 115.254 115.700 0.030 0.000 2.593 102 S HA 0.050 4.520 4.470 0.000 0.000 0.269 102 S C 1.618 176.230 174.600 0.019 0.000 1.334 102 S CA -0.281 57.933 58.200 0.023 0.000 1.015 102 S CB 1.393 64.608 63.200 0.024 0.000 0.912 102 S HN -0.021 nan 8.310 nan 0.000 0.541 103 T N 3.541 118.105 114.554 0.016 0.000 2.708 103 T HA -0.013 4.337 4.350 0.000 0.000 0.266 103 T C 0.651 175.360 174.700 0.014 0.000 1.037 103 T CA 1.090 63.198 62.100 0.014 0.000 1.146 103 T CB -0.447 68.428 68.868 0.012 0.000 0.865 103 T HN 0.618 nan 8.240 nan 0.000 0.435 104 I N 2.273 122.852 120.570 0.015 0.000 2.792 104 I HA -0.033 4.137 4.170 0.000 0.000 0.284 104 I C 1.313 177.438 176.117 0.015 0.000 1.166 104 I CA 0.578 61.888 61.300 0.016 0.000 1.375 104 I CB 0.329 38.339 38.000 0.017 0.000 1.421 104 I HN 0.094 nan 8.210 nan 0.000 0.544 105 R N 3.824 124.332 120.500 0.014 0.000 2.373 105 R HA 0.307 4.647 4.340 0.000 0.000 0.221 105 R C 0.611 176.918 176.300 0.013 0.000 0.893 105 R CA -0.134 55.973 56.100 0.012 0.000 1.049 105 R CB 0.936 31.242 30.300 0.012 0.000 1.119 105 R HN 0.792 nan 8.270 nan 0.000 0.535 106 G N -0.534 108.276 108.800 0.016 0.000 2.677 106 G HA2 0.221 4.181 3.960 0.000 0.000 0.291 106 G HA3 0.221 4.181 3.960 0.000 0.000 0.291 106 G C -2.517 172.397 174.900 0.023 0.000 1.435 106 G CA -1.060 44.052 45.100 0.020 0.000 0.826 106 G HN -0.311 nan 8.290 nan 0.000 0.491 107 P HA -0.104 nan 4.420 nan 0.000 0.220 107 P C 0.942 178.251 177.300 0.016 0.000 1.144 107 P CA 1.151 64.266 63.100 0.025 0.000 0.800 107 P CB 0.340 32.036 31.700 -0.007 0.000 0.772 108 E N -0.037 120.175 120.200 0.019 0.000 2.268 108 E HA -0.131 4.219 4.350 0.000 0.000 0.195 108 E C 1.149 177.758 176.600 0.016 0.000 0.995 108 E CA 0.976 57.387 56.400 0.019 0.000 0.836 108 E CB -0.736 28.976 29.700 0.020 0.000 0.763 108 E HN 0.325 nan 8.360 nan 0.000 0.491 109 D N 0.050 120.460 120.400 0.017 0.000 2.350 109 D HA 0.073 4.713 4.640 0.000 0.000 0.213 109 D C 0.123 176.432 176.300 0.016 0.000 1.031 109 D CA 0.069 54.078 54.000 0.015 0.000 0.861 109 D CB 0.093 40.903 40.800 0.015 0.000 0.926 109 D HN 0.204 nan 8.370 nan 0.000 0.520 110 I N 3.136 123.717 120.570 0.019 0.000 2.517 110 I HA 0.088 4.258 4.170 0.000 0.000 0.285 110 I C -1.888 174.240 176.117 0.018 0.000 1.106 110 I CA -1.414 59.899 61.300 0.022 0.000 1.402 110 I CB 0.377 38.396 38.000 0.031 0.000 1.399 110 I HN -0.210 nan 8.210 nan 0.000 0.535 111 P HA 0.348 nan 4.420 nan 0.000 0.278 111 P C 0.338 177.646 177.300 0.014 0.000 1.258 111 P CA -0.710 62.398 63.100 0.013 0.000 0.811 111 P CB 0.841 32.548 31.700 0.011 0.000 1.063 112 R N 1.227 121.734 120.500 0.011 0.000 2.159 112 R HA -0.159 4.181 4.340 0.000 0.000 0.249 112 R C 2.079 178.386 176.300 0.012 0.000 1.136 112 R CA 2.486 58.592 56.100 0.011 0.000 0.951 112 R CB -1.555 28.750 30.300 0.008 0.000 0.876 112 R HN 0.746 nan 8.270 nan 0.000 0.440 113 G N -1.317 107.489 108.800 0.011 0.000 3.088 113 G HA2 0.290 4.250 3.960 0.000 0.000 0.212 113 G HA3 0.290 4.250 3.960 0.000 0.000 0.212 113 G C -0.054 174.853 174.900 0.012 0.000 1.173 113 G CA 0.224 45.330 45.100 0.010 0.000 0.779 113 G HN 0.487 nan 8.290 nan 0.000 0.540 114 A N 0.143 122.973 122.820 0.016 0.000 2.511 114 A HA 0.490 4.810 4.320 0.000 0.000 0.242 114 A C -0.001 177.595 177.584 0.020 0.000 1.069 114 A CA 0.044 52.092 52.037 0.018 0.000 0.763 114 A CB 0.645 19.659 19.000 0.022 0.000 1.001 114 A HN 0.229 nan 8.150 nan 0.000 0.498 115 V N 4.099 124.024 119.914 0.018 0.000 2.427 115 V HA 0.379 4.499 4.120 0.000 0.000 0.286 115 V C -0.040 176.067 176.094 0.021 0.000 1.034 115 V CA -0.075 62.236 62.300 0.018 0.000 0.893 115 V CB 1.093 32.923 31.823 0.013 0.000 0.982 115 V HN 0.676 nan 8.190 nan 0.000 0.452 116 I N 4.057 124.642 120.570 0.025 0.000 2.389 116 I HA 0.677 4.847 4.170 0.000 0.000 0.288 116 I C 0.340 176.470 176.117 0.023 0.000 0.999 116 I CA -0.490 60.825 61.300 0.025 0.000 1.129 116 I CB 1.814 39.834 38.000 0.032 0.000 1.288 116 I HN 0.656 nan 8.210 nan 0.000 0.444 117 A N 4.359 127.191 122.820 0.020 0.000 2.309 117 A HA 0.820 5.140 4.320 0.000 0.000 0.298 117 A C -0.162 177.436 177.584 0.024 0.000 1.165 117 A CA -0.257 51.791 52.037 0.019 0.000 0.821 117 A CB 1.268 20.279 19.000 0.019 0.000 1.102 117 A HN 0.663 nan 8.150 nan 0.000 0.500 118 T N 0.220 114.788 114.554 0.023 0.000 2.821 118 T HA 0.406 4.756 4.350 0.000 0.000 0.306 118 T C -0.035 174.664 174.700 -0.001 0.000 1.313 118 T CA -0.374 61.753 62.100 0.045 0.000 1.012 118 T CB 1.327 70.238 68.868 0.072 0.000 1.298 118 T HN 0.651 nan 8.240 nan 0.000 0.502 119 E N 0.837 121.031 120.200 -0.011 0.000 2.481 119 E HA 0.190 4.540 4.350 0.000 0.000 0.198 119 E C -0.653 175.618 176.600 -0.548 0.000 1.027 119 E CA 0.182 56.416 56.400 -0.276 0.000 0.900 119 E CB 0.444 29.924 29.700 -0.366 0.000 0.993 119 E HN 0.461 nan 8.360 nan 0.000 0.482 120 F N 1.178 121.108 119.950 -0.033 0.000 2.523 120 F HA 0.248 4.775 4.527 0.000 0.000 0.322 120 F C -1.785 173.999 175.800 -0.027 0.000 1.361 120 F CA -2.164 55.813 58.000 -0.037 0.000 1.151 120 F CB 1.223 40.194 39.000 -0.048 0.000 1.391 120 F HN -0.082 nan 8.300 nan 0.000 0.566 121 P HA -0.122 nan 4.420 nan 0.000 0.218 121 P C 1.775 179.114 177.300 0.065 0.000 1.149 121 P CA 1.448 64.579 63.100 0.052 0.000 0.817 121 P CB 0.329 32.035 31.700 0.010 0.000 0.785 122 G N 0.818 109.657 108.800 0.064 0.000 2.453 122 G HA2 -0.225 3.735 3.960 0.000 0.000 0.215 122 G HA3 -0.225 3.735 3.960 0.000 0.000 0.215 122 G C 1.692 176.635 174.900 0.071 0.000 1.201 122 G CA 0.729 45.862 45.100 0.056 0.000 0.784 122 G HN 0.224 nan 8.290 nan 0.000 0.545 123 I N 0.932 121.557 120.570 0.090 0.000 2.208 123 I HA -0.186 3.984 4.170 0.000 0.000 0.245 123 I C 2.986 179.165 176.117 0.103 0.000 1.097 123 I CA 1.578 62.920 61.300 0.071 0.000 1.363 123 I CB -0.374 37.637 38.000 0.019 0.000 1.051 123 I HN 0.133 nan 8.210 nan 0.000 0.413 124 T N -0.156 114.461 114.554 0.106 0.000 2.770 124 T HA -0.112 4.238 4.350 0.000 0.000 0.263 124 T C 1.812 176.607 174.700 0.158 0.000 1.039 124 T CA 0.958 63.127 62.100 0.115 0.000 1.142 124 T CB -0.164 68.751 68.868 0.078 0.000 0.868 124 T HN 0.289 nan 8.240 nan 0.000 0.435 125 E N 1.447 121.713 120.200 0.110 0.000 2.058 125 E HA -0.160 4.190 4.350 0.000 0.000 0.194 125 E C 2.188 178.850 176.600 0.103 0.000 0.997 125 E CA 1.161 57.616 56.400 0.092 0.000 0.801 125 E CB -0.511 29.225 29.700 0.059 0.000 0.746 125 E HN 0.406 nan 8.360 nan 0.000 0.450 126 N N 0.075 118.838 118.700 0.105 0.000 2.120 126 N HA -0.199 4.541 4.740 0.000 0.000 0.188 126 N C 1.782 177.378 175.510 0.144 0.000 1.024 126 N CA 1.134 54.243 53.050 0.098 0.000 0.852 126 N CB -0.313 38.221 38.487 0.079 0.000 1.003 126 N HN 0.208 nan 8.380 nan 0.000 0.424 127 Y N 0.695 121.039 120.300 0.074 0.000 2.181 127 Y HA -0.093 4.457 4.550 0.000 0.000 0.288 127 Y C 1.800 177.814 175.900 0.189 0.000 1.146 127 Y CA 1.462 59.645 58.100 0.139 0.000 1.164 127 Y CB -0.292 38.206 38.460 0.063 0.000 0.982 127 Y HN 0.080 nan 8.280 nan 0.000 0.515 128 L N -0.011 121.298 121.223 0.144 0.000 2.046 128 L HA -0.200 4.140 4.340 0.000 0.000 0.208 128 L C 2.821 179.690 176.870 -0.001 0.000 1.077 128 L CA 1.503 56.361 54.840 0.030 0.000 0.747 128 L CB -0.559 41.565 42.059 0.107 0.000 0.896 128 L HN 0.192 nan 8.230 nan 0.000 0.432 129 R N 0.135 120.649 120.500 0.025 0.000 2.092 129 R HA -0.132 4.208 4.340 0.000 0.000 0.231 129 R C 2.092 178.375 176.300 -0.029 0.000 1.119 129 R CA 1.159 57.262 56.100 0.004 0.000 0.970 129 R CB 0.044 30.353 30.300 0.015 0.000 0.864 129 R HN 0.420 nan 8.270 nan 0.000 0.440 130 E N -0.822 119.351 120.200 -0.044 0.000 2.152 130 E HA -0.159 4.191 4.350 0.000 0.000 0.192 130 E C 1.246 177.695 176.600 -0.251 0.000 0.983 130 E CA 1.024 57.345 56.400 -0.131 0.000 0.818 130 E CB 0.001 29.620 29.700 -0.136 0.000 0.758 130 E HN 0.544 nan 8.360 nan 0.000 0.467 131 H N -0.956 117.971 119.070 -0.238 0.000 2.539 131 H HA 0.158 4.714 4.556 0.000 0.000 0.269 131 H C 1.177 176.415 175.328 -0.150 0.000 0.980 131 H CA 0.591 56.494 56.048 -0.241 0.000 1.152 131 H CB 0.649 30.153 29.762 -0.430 0.000 1.407 131 H HN 0.297 nan 8.280 nan 0.000 0.564 132 G N 0.911 109.695 108.800 -0.027 0.000 2.166 132 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 132 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 132 G C 0.190 175.087 174.900 -0.005 0.000 0.986 132 G CA 0.397 45.486 45.100 -0.018 0.000 0.683 132 G HN 0.383 nan 8.290 nan 0.000 0.527 133 I N 0.783 121.351 120.570 -0.004 0.000 2.441 133 I HA 0.257 4.427 4.170 0.000 0.000 0.287 133 I C 0.147 176.272 176.117 0.013 0.000 1.049 133 I CA -0.538 60.764 61.300 0.004 0.000 1.381 133 I CB 0.994 38.994 38.000 0.000 0.000 1.409 133 I HN -0.011 nan 8.210 nan 0.000 0.523 134 D N 6.421 126.830 120.400 0.014 0.000 2.380 134 D HA 0.592 5.232 4.640 0.000 0.000 0.230 134 D C -0.801 175.512 176.300 0.022 0.000 1.154 134 D CA -0.019 53.991 54.000 0.017 0.000 0.859 134 D CB 0.966 41.773 40.800 0.011 0.000 1.045 134 D HN 0.672 nan 8.370 nan 0.000 0.495 135 A N 3.616 126.454 122.820 0.030 0.000 2.572 135 A HA 0.568 4.888 4.320 0.000 0.000 0.295 135 A C -0.723 176.881 177.584 0.033 0.000 1.072 135 A CA -0.842 51.215 52.037 0.033 0.000 0.691 135 A CB 1.363 20.390 19.000 0.045 0.000 1.291 135 A HN 0.370 nan 8.150 nan 0.000 0.404 136 E N 0.466 120.683 120.200 0.027 0.000 2.313 136 E HA 0.483 4.833 4.350 0.000 0.000 0.272 136 E C -0.840 175.777 176.600 0.028 0.000 1.038 136 E CA -0.495 55.919 56.400 0.024 0.000 0.863 136 E CB 1.714 31.424 29.700 0.016 0.000 1.060 136 E HN 0.297 nan 8.360 nan 0.000 0.402 137 V N 2.629 122.559 119.914 0.027 0.000 2.378 137 V HA 0.230 4.350 4.120 0.000 0.000 0.288 137 V C -0.276 175.828 176.094 0.017 0.000 1.016 137 V CA -0.818 61.498 62.300 0.028 0.000 0.840 137 V CB 1.806 33.651 31.823 0.037 0.000 0.994 137 V HN 0.376 nan 8.190 nan 0.000 0.431 138 V N 4.569 124.492 119.914 0.014 0.000 2.384 138 V HA 0.371 4.491 4.120 0.000 0.000 0.287 138 V C 0.137 176.230 176.094 -0.000 0.000 1.020 138 V CA -0.657 61.646 62.300 0.006 0.000 0.850 138 V CB 1.666 33.492 31.823 0.005 0.000 0.987 138 V HN 0.983 nan 8.190 nan 0.000 0.436 139 E N 5.536 125.730 120.200 -0.010 0.000 2.259 139 E HA 0.525 4.875 4.350 0.000 0.000 0.281 139 E C -1.185 175.397 176.600 -0.030 0.000 1.037 139 E CA -0.314 56.069 56.400 -0.027 0.000 0.854 139 E CB 0.806 30.483 29.700 -0.038 0.000 1.051 139 E HN 0.612 nan 8.360 nan 0.000 0.409 140 L N 3.469 124.669 121.223 -0.038 0.000 2.319 140 L HA 0.302 4.642 4.340 0.000 0.000 0.267 140 L C 1.232 178.069 176.870 -0.055 0.000 1.011 140 L CA -0.906 53.914 54.840 -0.034 0.000 0.818 140 L CB 1.846 43.895 42.059 -0.016 0.000 1.316 140 L HN 0.640 nan 8.230 nan 0.000 0.432 141 T N 0.182 114.709 114.554 -0.045 0.000 2.867 141 T HA 0.128 4.478 4.350 0.000 0.000 0.268 141 T C 0.463 175.129 174.700 -0.057 0.000 1.057 141 T CA 1.252 63.319 62.100 -0.054 0.000 1.136 141 T CB 0.091 68.937 68.868 -0.037 0.000 0.874 141 T HN 0.845 nan 8.240 nan 0.000 0.466 142 G N -1.025 107.753 108.800 -0.037 0.000 2.321 142 G HA2 0.386 4.346 3.960 0.000 0.000 0.296 142 G HA3 0.386 4.346 3.960 0.000 0.000 0.296 142 G C -0.451 174.445 174.900 -0.006 0.000 1.287 142 G CA -0.007 45.079 45.100 -0.025 0.000 0.846 142 G HN 0.064 nan 8.290 nan 0.000 0.508 143 S N -0.827 114.874 115.700 0.003 0.000 3.549 143 S HA -0.281 4.189 4.470 0.000 0.000 0.366 143 S C 1.906 176.518 174.600 0.019 0.000 1.012 143 S CA 2.272 60.479 58.200 0.011 0.000 1.141 143 S CB -1.794 61.412 63.200 0.010 0.000 0.910 143 S HN 2.188 nan 8.310 nan 0.000 0.471 144 T N -0.798 113.768 114.554 0.020 0.000 2.897 144 T HA -0.197 4.153 4.350 0.000 0.000 0.271 144 T C 1.289 176.009 174.700 0.033 0.000 1.084 144 T CA 1.588 63.703 62.100 0.026 0.000 1.123 144 T CB -0.400 68.486 68.868 0.029 0.000 0.865 144 T HN 0.644 nan 8.240 nan 0.000 0.496 145 E N 1.297 121.514 120.200 0.028 0.000 2.267 145 E HA 0.045 4.395 4.350 0.000 0.000 0.197 145 E C 1.819 178.445 176.600 0.043 0.000 0.998 145 E CA 0.860 57.277 56.400 0.028 0.000 0.830 145 E CB -0.592 29.116 29.700 0.012 0.000 0.751 145 E HN 0.637 nan 8.360 nan 0.000 0.491 146 I N 0.217 120.820 120.570 0.055 0.000 3.427 146 I HA 0.034 4.204 4.170 0.000 0.000 0.288 146 I C 2.144 178.351 176.117 0.149 0.000 1.249 146 I CA 0.314 61.677 61.300 0.105 0.000 1.421 146 I CB -0.054 38.001 38.000 0.091 0.000 1.086 146 I HN 0.098 nan 8.210 nan 0.000 0.448 147 A N 2.138 125.013 122.820 0.091 0.000 1.908 147 A HA -0.124 4.196 4.320 0.000 0.000 0.218 147 A C -0.085 177.542 177.584 0.071 0.000 1.181 147 A CA 1.839 53.918 52.037 0.069 0.000 0.627 147 A CB -1.801 17.225 19.000 0.043 0.000 0.818 147 A HN 0.265 nan 8.150 nan 0.000 0.445 148 P HA -0.113 nan 4.420 nan 0.000 0.216 148 P C 1.446 178.807 177.300 0.102 0.000 1.153 148 P CA 0.815 63.962 63.100 0.079 0.000 0.844 148 P CB -0.170 31.580 31.700 0.084 0.000 0.787 149 F N 1.545 121.495 119.950 0.001 0.000 2.126 149 F HA -0.156 4.371 4.527 0.000 0.000 0.299 149 F C 1.724 177.521 175.800 -0.005 0.000 1.096 149 F CA 1.410 59.408 58.000 -0.004 0.000 1.255 149 F CB -0.638 38.360 39.000 -0.003 0.000 0.997 149 F HN -0.174 nan 8.300 nan 0.000 0.479 150 I N -2.538 117.996 120.570 -0.059 0.000 3.793 150 I HA 0.405 4.575 4.170 0.000 0.000 0.315 150 I C 1.399 177.453 176.117 -0.104 0.000 1.275 150 I CA 0.700 61.911 61.300 -0.148 0.000 1.214 150 I CB -0.629 37.360 38.000 -0.018 0.000 1.018 150 I HN 0.247 nan 8.210 nan 0.000 0.439 151 G N 1.455 110.213 108.800 -0.071 0.000 2.143 151 G HA2 -0.241 3.719 3.960 0.000 0.000 0.248 151 G HA3 -0.241 3.719 3.960 0.000 0.000 0.248 151 G C 0.568 175.454 174.900 -0.024 0.000 0.991 151 G CA 0.373 45.443 45.100 -0.050 0.000 0.689 151 G HN 0.313 nan 8.290 nan 0.000 0.522 152 V N -0.537 119.372 119.914 -0.008 0.000 2.535 152 V HA 0.509 4.630 4.120 0.000 0.000 0.246 152 V C 1.612 177.710 176.094 0.005 0.000 1.045 152 V CA 2.314 64.614 62.300 -0.000 0.000 1.058 152 V CB 0.128 31.955 31.823 0.007 0.000 0.689 152 V HN 1.473 nan 8.190 nan 0.000 0.461 153 A N -0.980 121.847 122.820 0.012 0.000 2.539 153 A HA 0.516 4.837 4.320 0.000 0.000 0.296 153 A C 0.116 177.711 177.584 0.018 0.000 1.073 153 A CA -0.407 51.640 52.037 0.016 0.000 0.700 153 A CB 1.190 20.203 19.000 0.020 0.000 1.296 153 A HN 0.132 nan 8.150 nan 0.000 0.405 154 D N 0.176 120.587 120.400 0.017 0.000 2.162 154 D HA 0.123 4.763 4.640 0.000 0.000 0.205 154 D C 0.354 176.667 176.300 0.023 0.000 0.964 154 D CA 1.345 55.357 54.000 0.019 0.000 0.847 154 D CB 0.155 40.965 40.800 0.017 0.000 0.988 154 D HN 0.456 nan 8.370 nan 0.000 0.480 155 L N 0.373 121.609 121.223 0.021 0.000 2.309 155 L HA 0.543 4.883 4.340 0.000 0.000 0.261 155 L C -0.201 176.678 176.870 0.016 0.000 1.021 155 L CA -1.153 53.697 54.840 0.018 0.000 0.823 155 L CB 2.570 44.637 42.059 0.015 0.000 1.366 155 L HN -0.107 nan 8.230 nan 0.000 0.423 156 I N -2.217 118.358 120.570 0.008 0.000 3.042 156 I HA 0.802 4.972 4.170 0.000 0.000 0.310 156 I C -0.311 175.799 176.117 -0.011 0.000 1.117 156 I CA -0.445 60.860 61.300 0.009 0.000 1.003 156 I CB 2.499 40.510 38.000 0.018 0.000 1.228 156 I HN 0.624 nan 8.210 nan 0.000 0.443 157 T N -0.661 113.893 114.554 -0.000 0.000 2.945 157 T HA 0.724 5.074 4.350 0.000 0.000 0.286 157 T C -0.903 173.805 174.700 0.014 0.000 1.025 157 T CA -0.383 61.707 62.100 -0.018 0.000 1.039 157 T CB 1.805 70.670 68.868 -0.005 0.000 1.068 157 T HN 0.835 nan 8.240 nan 0.000 0.497 158 D N -0.125 120.270 120.400 -0.008 0.000 2.654 158 D HA 0.446 5.086 4.640 0.000 0.000 0.231 158 D C -1.946 174.342 176.300 -0.019 0.000 1.239 158 D CA -0.624 53.383 54.000 0.013 0.000 0.790 158 D CB 2.057 42.859 40.800 0.004 0.000 1.480 158 D HN 0.551 nan 8.370 nan 0.000 0.442 159 L N 2.432 123.660 121.223 0.008 0.000 2.280 159 L HA 0.708 5.048 4.340 0.000 0.000 0.287 159 L C -0.773 176.089 176.870 -0.013 0.000 1.023 159 L CA 0.023 54.848 54.840 -0.025 0.000 0.819 159 L CB 0.825 42.891 42.059 0.011 0.000 1.212 159 L HN 0.516 nan 8.230 nan 0.000 0.420 160 S N 1.098 116.780 115.700 -0.029 0.000 2.550 160 S HA 0.523 4.993 4.470 0.000 0.000 0.270 160 S C 0.173 174.759 174.600 -0.023 0.000 1.145 160 S CA -0.260 57.929 58.200 -0.020 0.000 0.852 160 S CB 1.579 64.767 63.200 -0.020 0.000 1.119 160 S HN 0.396 nan 8.310 nan 0.000 0.465 161 S N 1.116 116.807 115.700 -0.015 0.000 2.456 161 S HA 0.194 4.664 4.470 0.000 0.000 0.224 161 S C 0.822 175.412 174.600 -0.015 0.000 1.035 161 S CA 0.683 58.875 58.200 -0.014 0.000 0.940 161 S CB -0.233 62.964 63.200 -0.005 0.000 0.799 161 S HN 1.097 nan 8.310 nan 0.000 0.508 162 T N -0.695 113.850 114.554 -0.015 0.000 2.841 162 T HA 0.630 4.980 4.350 0.000 0.000 0.283 162 T C 0.918 175.606 174.700 -0.021 0.000 1.000 162 T CA -0.473 61.616 62.100 -0.018 0.000 0.977 162 T CB 1.706 70.564 68.868 -0.016 0.000 0.979 162 T HN 0.065 nan 8.240 nan 0.000 0.446 163 G N 1.174 109.959 108.800 -0.025 0.000 2.807 163 G HA2 -0.033 3.927 3.960 0.000 0.000 0.207 163 G HA3 -0.033 3.927 3.960 0.000 0.000 0.207 163 G C 1.307 176.188 174.900 -0.033 0.000 1.151 163 G CA 0.787 45.870 45.100 -0.029 0.000 0.800 163 G HN 0.973 nan 8.290 nan 0.000 0.523 164 T N -1.978 112.559 114.554 -0.030 0.000 2.674 164 T HA -0.162 4.188 4.350 0.000 0.000 0.265 164 T C 2.249 176.929 174.700 -0.033 0.000 1.039 164 T CA 1.864 63.944 62.100 -0.033 0.000 1.150 164 T CB -0.759 68.093 68.868 -0.027 0.000 0.864 164 T HN 0.052 nan 8.240 nan 0.000 0.427 165 T N 1.825 116.365 114.554 -0.024 0.000 2.929 165 T HA 0.082 4.432 4.350 0.000 0.000 0.271 165 T C 1.637 176.325 174.700 -0.020 0.000 1.085 165 T CA 0.789 62.877 62.100 -0.020 0.000 1.125 165 T CB -0.416 68.445 68.868 -0.012 0.000 0.874 165 T HN 0.171 nan 8.240 nan 0.000 0.494 166 L N 0.439 121.647 121.223 -0.025 0.000 2.102 166 L HA 0.126 4.466 4.340 0.000 0.000 0.202 166 L C 2.565 179.411 176.870 -0.040 0.000 1.076 166 L CA 1.168 55.994 54.840 -0.024 0.000 0.761 166 L CB -0.359 41.685 42.059 -0.024 0.000 0.921 166 L HN -0.024 nan 8.230 nan 0.000 0.444 167 R N -0.669 119.792 120.500 -0.065 0.000 2.120 167 R HA -0.111 4.229 4.340 0.000 0.000 0.234 167 R C 2.127 178.326 176.300 -0.168 0.000 1.123 167 R CA 1.272 57.297 56.100 -0.125 0.000 0.975 167 R CB -0.977 29.251 30.300 -0.120 0.000 0.866 167 R HN 0.374 nan 8.270 nan 0.000 0.446 168 M N 1.030 120.578 119.600 -0.086 0.000 2.159 168 M HA -0.063 4.417 4.480 0.000 0.000 0.263 168 M C 1.030 177.348 176.300 0.030 0.000 1.063 168 M CA 1.432 56.706 55.300 -0.044 0.000 1.110 168 M CB 0.033 32.617 32.600 -0.027 0.000 1.374 168 M HN -0.008 nan 8.290 nan 0.000 0.411 169 N N -0.445 118.270 118.700 0.025 0.000 2.362 169 N HA -0.019 4.721 4.740 0.000 0.000 0.204 169 N C -0.771 174.832 175.510 0.155 0.000 1.166 169 N CA 0.322 53.410 53.050 0.064 0.000 0.831 169 N CB -0.199 38.300 38.487 0.019 0.000 1.008 169 N HN 0.428 nan 8.380 nan 0.000 0.472 170 H N -0.241 118.818 119.070 -0.019 0.000 2.672 170 H HA -0.163 4.393 4.556 0.000 0.000 0.325 170 H C -0.630 174.699 175.328 0.001 0.000 1.158 170 H CA 0.561 56.605 56.048 -0.007 0.000 1.134 170 H CB -1.482 28.279 29.762 -0.001 0.000 1.553 170 H HN 0.241 nan 8.280 nan 0.000 0.419 171 L N 0.633 121.879 121.223 0.038 0.000 2.370 171 L HA 0.559 4.899 4.340 0.000 0.000 0.266 171 L C 0.519 177.387 176.870 -0.002 0.000 1.002 171 L CA -0.715 54.141 54.840 0.027 0.000 0.818 171 L CB 2.748 44.821 42.059 0.023 0.000 1.325 171 L HN 0.130 nan 8.230 nan 0.000 0.418 172 R N 1.387 121.888 120.500 0.002 0.000 2.494 172 R HA 0.568 4.908 4.340 0.000 0.000 0.305 172 R C -1.276 175.018 176.300 -0.011 0.000 0.959 172 R CA -0.659 55.436 56.100 -0.008 0.000 0.864 172 R CB 1.978 32.277 30.300 -0.002 0.000 1.159 172 R HN 0.427 nan 8.270 nan 0.000 0.446 173 V N 7.026 126.929 119.914 -0.019 0.000 2.450 173 V HA -0.001 4.119 4.120 0.000 0.000 0.281 173 V C 1.214 177.296 176.094 -0.019 0.000 1.019 173 V CA 0.378 62.663 62.300 -0.025 0.000 1.062 173 V CB 0.495 32.300 31.823 -0.029 0.000 0.979 173 V HN 0.762 nan 8.190 nan 0.000 0.477 174 I N 0.340 120.897 120.570 -0.021 0.000 4.057 174 I HA 0.571 4.741 4.170 0.000 0.000 0.334 174 I C 0.312 176.424 176.117 -0.008 0.000 1.308 174 I CA 0.522 61.817 61.300 -0.009 0.000 1.125 174 I CB 0.440 38.440 38.000 0.000 0.000 1.034 174 I HN 0.531 nan 8.210 nan 0.000 0.401 175 D N -0.522 119.858 120.400 -0.033 0.000 2.728 175 D HA 0.287 4.927 4.640 0.000 0.000 0.249 175 D C -1.285 174.967 176.300 -0.079 0.000 1.225 175 D CA -0.221 53.760 54.000 -0.031 0.000 0.748 175 D CB 2.028 42.831 40.800 0.005 0.000 1.326 175 D HN -0.082 nan 8.370 nan 0.000 0.426 176 T N 2.183 116.707 114.554 -0.049 0.000 2.749 176 T HA 0.394 4.744 4.350 0.000 0.000 0.287 176 T C 1.599 176.249 174.700 -0.083 0.000 0.970 176 T CA -0.353 61.703 62.100 -0.072 0.000 0.980 176 T CB 0.821 69.670 68.868 -0.031 0.000 0.924 176 T HN 0.278 nan 8.240 nan 0.000 0.456 177 I N 2.457 122.912 120.570 -0.192 0.000 2.494 177 I HA 0.258 4.428 4.170 0.000 0.000 0.250 177 I C 0.376 176.466 176.117 -0.044 0.000 1.112 177 I CA 0.655 61.827 61.300 -0.214 0.000 1.438 177 I CB 0.200 37.941 38.000 -0.430 0.000 1.111 177 I HN 0.326 nan 8.210 nan 0.000 0.431 178 L N 0.269 121.449 121.223 -0.072 0.000 2.549 178 L HA 0.390 4.730 4.340 0.000 0.000 0.259 178 L C -1.476 175.378 176.870 -0.028 0.000 0.934 178 L CA -0.482 54.343 54.840 -0.025 0.000 0.865 178 L CB 1.980 43.998 42.059 -0.069 0.000 1.352 178 L HN -0.132 nan 8.230 nan 0.000 0.410 179 E N 2.750 122.962 120.200 0.020 0.000 2.200 179 E HA 0.412 4.762 4.350 0.000 0.000 0.283 179 E C -1.000 175.628 176.600 0.046 0.000 1.015 179 E CA -0.204 56.196 56.400 0.000 0.000 0.819 179 E CB 1.885 31.574 29.700 -0.019 0.000 1.081 179 E HN 0.469 nan 8.360 nan 0.000 0.397 180 S N 1.801 117.508 115.700 0.011 0.000 2.532 180 S HA 0.630 5.100 4.470 0.000 0.000 0.301 180 S C -0.699 173.888 174.600 -0.022 0.000 1.083 180 S CA -0.453 57.778 58.200 0.053 0.000 1.025 180 S CB 1.326 64.525 63.200 -0.002 0.000 1.056 180 S HN 0.404 nan 8.310 nan 0.000 0.494 181 S N 2.264 117.948 115.700 -0.027 0.000 2.596 181 S HA 0.618 5.088 4.470 0.000 0.000 0.270 181 S C -1.365 173.163 174.600 -0.119 0.000 1.155 181 S CA -0.574 57.563 58.200 -0.105 0.000 0.827 181 S CB 1.210 64.335 63.200 -0.126 0.000 1.130 181 S HN 0.614 nan 8.310 nan 0.000 0.467 182 V N 4.155 123.911 119.914 -0.264 0.000 2.614 182 V HA 0.451 4.571 4.120 0.000 0.000 0.291 182 V C -0.080 175.923 176.094 -0.152 0.000 1.049 182 V CA -0.061 62.056 62.300 -0.304 0.000 1.038 182 V CB 0.957 32.301 31.823 -0.797 0.000 0.980 182 V HN 0.677 nan 8.190 nan 0.000 0.481 183 K N 3.728 124.097 120.400 -0.051 0.000 2.328 183 K HA 0.589 4.909 4.320 0.000 0.000 0.246 183 K C -0.982 175.639 176.600 0.035 0.000 0.955 183 K CA -1.012 55.276 56.287 0.002 0.000 0.817 183 K CB 2.723 35.248 32.500 0.041 0.000 1.208 183 K HN 0.469 nan 8.250 nan 0.000 0.432 184 L N 3.660 124.910 121.223 0.045 0.000 2.275 184 L HA 0.468 4.808 4.340 0.000 0.000 0.288 184 L C -0.350 176.552 176.870 0.052 0.000 1.046 184 L CA -0.220 54.655 54.840 0.059 0.000 0.805 184 L CB 0.292 42.389 42.059 0.063 0.000 1.193 184 L HN 0.621 nan 8.230 nan 0.000 0.426 185 I N 2.269 122.875 120.570 0.059 0.000 3.067 185 I HA 1.032 5.202 4.170 0.000 0.000 0.312 185 I C -0.673 175.483 176.117 0.065 0.000 1.073 185 I CA -0.942 60.391 61.300 0.055 0.000 1.016 185 I CB 2.109 40.143 38.000 0.056 0.000 1.227 185 I HN 0.710 nan 8.210 nan 0.000 0.456 186 A N 2.222 125.079 122.820 0.061 0.000 2.520 186 A HA 0.422 4.742 4.320 0.000 0.000 0.298 186 A C -1.168 176.462 177.584 0.075 0.000 1.051 186 A CA -0.742 51.345 52.037 0.085 0.000 0.690 186 A CB 1.421 20.497 19.000 0.127 0.000 1.281 186 A HN 0.848 nan 8.150 nan 0.000 0.402 187 N N 1.109 119.862 118.700 0.088 0.000 2.492 187 N HA 0.038 4.778 4.740 0.000 0.000 0.260 187 N C 0.975 176.543 175.510 0.097 0.000 1.215 187 N CA -0.052 53.046 53.050 0.080 0.000 0.923 187 N CB 0.925 39.458 38.487 0.076 0.000 1.092 187 N HN 0.794 nan 8.380 nan 0.000 0.448 188 R N 2.595 123.139 120.500 0.073 0.000 2.062 188 R HA -0.085 4.255 4.340 0.000 0.000 0.229 188 R C 1.676 178.040 176.300 0.107 0.000 1.128 188 R CA 1.172 57.320 56.100 0.079 0.000 0.960 188 R CB -0.070 30.255 30.300 0.042 0.000 0.855 188 R HN 0.718 nan 8.270 nan 0.000 0.432 189 E N -0.246 120.000 120.200 0.076 0.000 2.153 189 E HA -0.135 4.215 4.350 0.000 0.000 0.194 189 E C 1.693 178.333 176.600 0.067 0.000 0.988 189 E CA 1.318 57.757 56.400 0.064 0.000 0.811 189 E CB 0.132 29.859 29.700 0.044 0.000 0.746 189 E HN 0.294 nan 8.360 nan 0.000 0.466 190 S N -0.213 115.532 115.700 0.076 0.000 2.368 190 S HA -0.160 4.310 4.470 0.000 0.000 0.224 190 S C 1.577 176.214 174.600 0.061 0.000 1.029 190 S CA 0.981 59.216 58.200 0.058 0.000 0.988 190 S CB -0.369 62.868 63.200 0.061 0.000 0.838 190 S HN 0.425 nan 8.310 nan 0.000 0.462 191 Y N 2.168 122.473 120.300 0.008 0.000 2.163 191 Y HA -0.077 4.473 4.550 0.000 0.000 0.288 191 Y C 2.450 178.353 175.900 0.005 0.000 1.136 191 Y CA 1.110 59.213 58.100 0.006 0.000 1.147 191 Y CB -0.612 37.854 38.460 0.009 0.000 0.987 191 Y HN 0.227 nan 8.280 nan 0.000 0.509 192 A N -0.756 122.181 122.820 0.196 0.000 1.978 192 A HA -0.213 4.107 4.320 0.000 0.000 0.220 192 A C 2.135 179.717 177.584 -0.003 0.000 1.170 192 A CA 2.387 54.488 52.037 0.108 0.000 0.636 192 A CB -1.285 17.779 19.000 0.107 0.000 0.810 192 A HN 0.602 nan 8.150 nan 0.000 0.448 193 T N -4.130 110.412 114.554 -0.019 0.000 3.022 193 T HA 0.253 4.603 4.350 0.000 0.000 0.250 193 T C 0.824 175.483 174.700 -0.068 0.000 1.060 193 T CA 0.611 62.691 62.100 -0.033 0.000 1.013 193 T CB 0.030 68.891 68.868 -0.011 0.000 0.982 193 T HN 0.425 nan 8.240 nan 0.000 0.508 194 K N 1.501 121.832 120.400 -0.115 0.000 3.012 194 K HA 0.271 4.591 4.320 0.000 0.000 0.207 194 K C 1.360 177.819 176.600 -0.234 0.000 1.130 194 K CA 0.166 56.373 56.287 -0.133 0.000 1.021 194 K CB 0.867 33.312 32.500 -0.091 0.000 0.736 194 K HN 0.301 nan 8.250 nan 0.000 0.448 195 S N -0.594 114.904 115.700 -0.336 0.000 2.423 195 S HA -0.090 4.380 4.470 0.000 0.000 0.231 195 S C 1.932 176.354 174.600 -0.297 0.000 1.014 195 S CA 1.024 58.895 58.200 -0.547 0.000 0.965 195 S CB -0.266 62.578 63.200 -0.594 0.000 0.785 195 S HN 0.414 nan 8.310 nan 0.000 0.495 196 G N 2.361 111.057 108.800 -0.173 0.000 2.604 196 G HA2 -0.160 3.800 3.960 0.000 0.000 0.216 196 G HA3 -0.160 3.800 3.960 0.000 0.000 0.216 196 G C 1.281 176.128 174.900 -0.088 0.000 1.265 196 G CA 0.915 45.956 45.100 -0.098 0.000 0.804 196 G HN 0.495 nan 8.290 nan 0.000 0.579 197 I N 1.169 121.684 120.570 -0.091 0.000 2.335 197 I HA -0.129 4.041 4.170 0.000 0.000 0.251 197 I C 2.566 178.614 176.117 -0.116 0.000 1.129 197 I CA 0.829 62.066 61.300 -0.105 0.000 1.402 197 I CB -0.165 37.762 38.000 -0.122 0.000 1.069 197 I HN 0.272 nan 8.210 nan 0.000 0.424 198 I N 0.022 120.517 120.570 -0.125 0.000 2.202 198 I HA -0.209 3.961 4.170 0.000 0.000 0.242 198 I C 2.257 178.353 176.117 -0.034 0.000 1.091 198 I CA 1.052 62.300 61.300 -0.086 0.000 1.368 198 I CB -0.556 37.374 38.000 -0.116 0.000 1.058 198 I HN 0.181 nan 8.210 nan 0.000 0.410 199 E N 0.579 120.748 120.200 -0.051 0.000 2.204 199 E HA -0.262 4.088 4.350 0.000 0.000 0.195 199 E C 1.867 178.472 176.600 0.007 0.000 0.990 199 E CA 0.942 57.347 56.400 0.010 0.000 0.821 199 E CB -0.200 29.504 29.700 0.006 0.000 0.750 199 E HN 0.548 nan 8.360 nan 0.000 0.477 200 E N 0.468 120.658 120.200 -0.015 0.000 2.051 200 E HA -0.182 4.168 4.350 0.000 0.000 0.192 200 E C 2.136 178.736 176.600 0.001 0.000 0.991 200 E CA 0.664 57.065 56.400 0.000 0.000 0.799 200 E CB -0.024 29.677 29.700 0.003 0.000 0.748 200 E HN 0.090 nan 8.360 nan 0.000 0.449 201 L N 1.481 122.687 121.223 -0.029 0.000 2.083 201 L HA -0.128 4.212 4.340 0.000 0.000 0.209 201 L C 2.476 179.356 176.870 0.016 0.000 1.083 201 L CA 1.721 56.551 54.840 -0.017 0.000 0.752 201 L CB -0.495 41.537 42.059 -0.045 0.000 0.899 201 L HN 0.037 nan 8.230 nan 0.000 0.433 202 R N -1.289 119.228 120.500 0.027 0.000 2.081 202 R HA -0.152 4.188 4.340 0.000 0.000 0.235 202 R C 1.997 178.321 176.300 0.041 0.000 1.131 202 R CA 1.984 58.112 56.100 0.046 0.000 0.960 202 R CB -0.348 29.994 30.300 0.071 0.000 0.856 202 R HN 0.437 nan 8.270 nan 0.000 0.436 203 T N -0.571 114.005 114.554 0.036 0.000 2.746 203 T HA -0.097 4.253 4.350 0.000 0.000 0.267 203 T C 1.716 176.435 174.700 0.032 0.000 1.039 203 T CA 1.297 63.417 62.100 0.033 0.000 1.142 203 T CB -0.533 68.353 68.868 0.031 0.000 0.866 203 T HN 0.552 nan 8.240 nan 0.000 0.444 204 G N 1.303 110.123 108.800 0.032 0.000 2.433 204 G HA2 -0.140 3.820 3.960 0.000 0.000 0.216 204 G HA3 -0.140 3.820 3.960 0.000 0.000 0.216 204 G C 1.549 176.468 174.900 0.032 0.000 1.186 204 G CA 0.533 45.653 45.100 0.033 0.000 0.779 204 G HN 0.469 nan 8.290 nan 0.000 0.543 205 I N 0.020 120.610 120.570 0.034 0.000 2.179 205 I HA -0.143 4.027 4.170 0.000 0.000 0.242 205 I C 2.879 179.020 176.117 0.039 0.000 1.088 205 I CA 1.078 62.401 61.300 0.039 0.000 1.357 205 I CB -0.121 37.907 38.000 0.047 0.000 1.051 205 I HN 0.053 nan 8.210 nan 0.000 0.409 206 R N 1.495 122.018 120.500 0.038 0.000 2.091 206 R HA -0.132 4.208 4.340 0.000 0.000 0.238 206 R C 2.140 178.458 176.300 0.030 0.000 1.136 206 R CA 1.768 57.889 56.100 0.034 0.000 0.959 206 R CB -1.446 28.874 30.300 0.033 0.000 0.856 206 R HN 0.397 nan 8.270 nan 0.000 0.437 207 G N -0.660 108.157 108.800 0.028 0.000 2.440 207 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 207 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 207 G C 1.449 176.362 174.900 0.022 0.000 1.154 207 G CA 1.075 46.190 45.100 0.024 0.000 0.767 207 G HN 0.277 nan 8.290 nan 0.000 0.552 208 V N 0.791 120.719 119.914 0.023 0.000 2.515 208 V HA -0.068 4.052 4.120 0.000 0.000 0.250 208 V C 2.721 178.828 176.094 0.022 0.000 1.058 208 V CA 1.251 63.562 62.300 0.019 0.000 1.064 208 V CB -0.230 31.603 31.823 0.016 0.000 0.675 208 V HN 0.392 nan 8.190 nan 0.000 0.461 209 I N 0.057 120.645 120.570 0.030 0.000 2.353 209 I HA -0.171 3.999 4.170 0.000 0.000 0.248 209 I C 1.958 178.091 176.117 0.028 0.000 1.119 209 I CA 1.298 62.620 61.300 0.036 0.000 1.417 209 I CB -0.310 37.716 38.000 0.044 0.000 1.078 209 I HN 0.293 nan 8.210 nan 0.000 0.421 210 D N 0.891 121.305 120.400 0.024 0.000 2.347 210 D HA -0.007 4.633 4.640 0.000 0.000 0.215 210 D C 2.010 178.322 176.300 0.019 0.000 0.976 210 D CA 0.822 54.834 54.000 0.020 0.000 0.884 210 D CB 0.138 40.950 40.800 0.019 0.000 0.915 210 D HN 0.316 nan 8.370 nan 0.000 0.526 211 A N 0.543 123.374 122.820 0.018 0.000 2.169 211 A HA -0.064 4.256 4.320 0.000 0.000 0.212 211 A C 1.197 178.790 177.584 0.015 0.000 1.153 211 A CA 0.001 52.048 52.037 0.015 0.000 0.756 211 A CB -0.100 18.908 19.000 0.013 0.000 0.813 211 A HN -0.007 nan 8.150 nan 0.000 0.471 212 E N 0.585 120.795 120.200 0.017 0.000 2.417 212 E HA 0.224 4.574 4.350 0.000 0.000 0.261 212 E C 0.996 177.606 176.600 0.017 0.000 1.000 212 E CA 0.830 57.240 56.400 0.017 0.000 0.919 212 E CB 0.071 29.785 29.700 0.023 0.000 0.955 212 E HN 0.785 nan 8.360 nan 0.000 0.455 213 G N 4.647 113.457 108.800 0.016 0.000 2.168 213 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 213 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 213 G C -0.206 174.705 174.900 0.018 0.000 0.997 213 G CA 0.523 45.633 45.100 0.017 0.000 0.708 213 G HN 0.444 nan 8.290 nan 0.000 0.520 214 K N 0.232 120.643 120.400 0.017 0.000 2.413 214 K HA 0.600 4.920 4.320 0.000 0.000 0.257 214 K C 0.165 176.775 176.600 0.017 0.000 0.946 214 K CA -0.687 55.611 56.287 0.018 0.000 0.823 214 K CB 1.795 34.306 32.500 0.018 0.000 1.109 214 K HN 0.183 nan 8.250 nan 0.000 0.427 215 R N 1.385 121.897 120.500 0.019 0.000 2.854 215 R HA 0.460 4.800 4.340 0.000 0.000 0.271 215 R C -0.572 175.740 176.300 0.020 0.000 0.996 215 R CA -1.300 54.810 56.100 0.017 0.000 0.961 215 R CB 1.158 31.469 30.300 0.018 0.000 1.182 215 R HN 0.436 nan 8.270 nan 0.000 0.479 216 L N 1.571 122.802 121.223 0.013 0.000 2.255 216 L HA 0.325 4.665 4.340 0.000 0.000 0.289 216 L C -0.938 175.944 176.870 0.020 0.000 1.046 216 L CA -0.379 54.471 54.840 0.017 0.000 0.816 216 L CB 1.186 43.236 42.059 -0.016 0.000 1.197 216 L HN 0.245 nan 8.230 nan 0.000 0.427 217 V N 6.929 126.869 119.914 0.044 0.000 2.407 217 V HA 0.458 4.578 4.120 0.000 0.000 0.278 217 V C 0.290 176.427 176.094 0.072 0.000 1.037 217 V CA -0.246 62.080 62.300 0.045 0.000 0.900 217 V CB 1.281 33.127 31.823 0.038 0.000 0.983 217 V HN 0.793 nan 8.190 nan 0.000 0.459 218 M N 6.825 126.459 119.600 0.055 0.000 2.465 218 M HA 0.804 5.284 4.480 0.000 0.000 0.316 218 M C -1.204 175.124 176.300 0.047 0.000 1.121 218 M CA -0.711 54.634 55.300 0.074 0.000 0.934 218 M CB 2.129 34.758 32.600 0.050 0.000 1.692 218 M HN 0.585 nan 8.290 nan 0.000 0.444 219 L N -0.169 121.083 121.223 0.048 0.000 2.518 219 L HA 0.690 5.030 4.340 0.000 0.000 0.257 219 L C -1.497 175.388 176.870 0.025 0.000 0.980 219 L CA -0.850 54.007 54.840 0.028 0.000 0.837 219 L CB 1.527 43.597 42.059 0.018 0.000 1.410 219 L HN 0.464 nan 8.230 nan 0.000 0.410 220 N N 1.632 120.341 118.700 0.016 0.000 2.426 220 N HA 0.685 5.425 4.740 0.000 0.000 0.275 220 N C -1.279 174.234 175.510 0.006 0.000 1.019 220 N CA -0.081 52.977 53.050 0.012 0.000 0.941 220 N CB 2.132 40.626 38.487 0.011 0.000 1.123 220 N HN 0.774 nan 8.380 nan 0.000 0.486 221 I N 0.977 121.549 120.570 0.003 0.000 2.647 221 I HA 0.257 4.427 4.170 0.000 0.000 0.295 221 I C -0.846 175.270 176.117 -0.002 0.000 1.078 221 I CA -0.791 60.508 61.300 -0.001 0.000 1.048 221 I CB 1.637 39.634 38.000 -0.004 0.000 1.239 221 I HN 0.363 nan 8.210 nan 0.000 0.421 222 D N 5.482 125.881 120.400 -0.003 0.000 2.389 222 D HA 0.198 4.838 4.640 0.000 0.000 0.247 222 D C 1.027 177.324 176.300 -0.005 0.000 1.128 222 D CA 0.054 54.052 54.000 -0.003 0.000 0.884 222 D CB 0.782 41.580 40.800 -0.003 0.000 1.194 222 D HN 0.405 nan 8.370 nan 0.000 0.441 223 R N 2.208 122.705 120.500 -0.005 0.000 2.139 223 R HA -0.216 4.124 4.340 0.000 0.000 0.243 223 R C 1.764 178.060 176.300 -0.007 0.000 1.145 223 R CA 1.442 57.538 56.100 -0.006 0.000 0.976 223 R CB 0.072 30.368 30.300 -0.005 0.000 0.866 223 R HN 0.515 nan 8.270 nan 0.000 0.449 224 K N -0.884 119.512 120.400 -0.006 0.000 2.281 224 K HA -0.105 4.215 4.320 0.000 0.000 0.203 224 K C 0.675 177.270 176.600 -0.007 0.000 1.046 224 K CA 1.482 57.765 56.287 -0.006 0.000 0.938 224 K CB -0.011 32.486 32.500 -0.005 0.000 0.737 224 K HN 0.173 nan 8.250 nan 0.000 0.458 225 N N 0.592 119.287 118.700 -0.008 0.000 2.205 225 N HA 0.016 4.756 4.740 0.000 0.000 0.201 225 N C 1.233 176.737 175.510 -0.010 0.000 1.128 225 N CA -0.006 53.039 53.050 -0.009 0.000 0.867 225 N CB 0.410 38.891 38.487 -0.009 0.000 0.996 225 N HN 0.093 nan 8.380 nan 0.000 0.503 226 L N 2.236 123.453 121.223 -0.010 0.000 2.189 226 L HA -0.189 4.151 4.340 0.000 0.000 0.214 226 L C 1.705 178.568 176.870 -0.013 0.000 1.097 226 L CA 1.845 56.678 54.840 -0.012 0.000 0.764 226 L CB -0.409 41.642 42.059 -0.013 0.000 0.900 226 L HN 0.134 nan 8.230 nan 0.000 0.436 227 D N -0.883 119.510 120.400 -0.012 0.000 2.097 227 D HA -0.245 4.395 4.640 0.000 0.000 0.197 227 D C 2.083 178.376 176.300 -0.012 0.000 0.984 227 D CA 1.446 55.439 54.000 -0.012 0.000 0.826 227 D CB -0.609 40.184 40.800 -0.010 0.000 0.973 227 D HN 0.385 nan 8.370 nan 0.000 0.460 228 R N 0.291 120.784 120.500 -0.012 0.000 2.148 228 R HA 0.015 4.355 4.340 0.000 0.000 0.227 228 R C 2.408 178.700 176.300 -0.014 0.000 1.103 228 R CA 0.565 56.657 56.100 -0.013 0.000 0.983 228 R CB -0.116 30.176 30.300 -0.013 0.000 0.874 228 R HN 0.143 nan 8.270 nan 0.000 0.451 229 V N 0.710 120.616 119.914 -0.014 0.000 2.548 229 V HA -0.192 3.928 4.120 0.000 0.000 0.249 229 V C 2.164 178.250 176.094 -0.014 0.000 1.055 229 V CA 1.484 63.776 62.300 -0.014 0.000 1.065 229 V CB -0.456 31.359 31.823 -0.013 0.000 0.681 229 V HN 0.279 nan 8.190 nan 0.000 0.462 230 R N 0.756 121.247 120.500 -0.016 0.000 2.080 230 R HA -0.159 4.181 4.340 0.000 0.000 0.236 230 R C 2.445 178.738 176.300 -0.013 0.000 1.137 230 R CA 1.718 57.808 56.100 -0.016 0.000 0.943 230 R CB -0.711 29.579 30.300 -0.016 0.000 0.846 230 R HN 0.507 nan 8.270 nan 0.000 0.431 231 A N 0.769 123.582 122.820 -0.012 0.000 2.070 231 A HA -0.076 4.244 4.320 0.000 0.000 0.220 231 A C 2.075 179.654 177.584 -0.009 0.000 1.159 231 A CA 1.103 53.134 52.037 -0.010 0.000 0.656 231 A CB -0.321 18.674 19.000 -0.010 0.000 0.800 231 A HN 0.189 nan 8.150 nan 0.000 0.453 232 L N -1.611 119.605 121.223 -0.011 0.000 2.249 232 L HA 0.169 4.509 4.340 0.000 0.000 0.207 232 L C 0.880 177.746 176.870 -0.007 0.000 1.090 232 L CA 0.393 55.226 54.840 -0.011 0.000 0.802 232 L CB -0.077 41.972 42.059 -0.015 0.000 0.947 232 L HN 0.305 nan 8.230 nan 0.000 0.453 233 M N 0.313 119.909 119.600 -0.007 0.000 2.386 233 M HA 0.233 4.713 4.480 0.000 0.000 0.245 233 M C -1.944 174.354 176.300 -0.004 0.000 0.982 233 M CA -1.303 53.995 55.300 -0.002 0.000 0.860 233 M CB 1.127 33.726 32.600 -0.001 0.000 1.371 233 M HN -0.192 nan 8.290 nan 0.000 0.425 234 P HA 0.002 nan 4.420 nan 0.000 0.219 234 P C 1.040 178.339 177.300 -0.002 0.000 1.150 234 P CA 1.198 64.296 63.100 -0.004 0.000 0.814 234 P CB 0.316 32.015 31.700 -0.001 0.000 0.787 235 G N -0.659 108.145 108.800 0.005 0.000 2.575 235 G HA2 -0.367 3.593 3.960 0.000 0.000 0.267 235 G HA3 -0.367 3.593 3.960 0.000 0.000 0.267 235 G C 0.840 175.747 174.900 0.011 0.000 1.264 235 G CA 0.484 45.592 45.100 0.012 0.000 0.935 235 G HN 0.180 nan 8.290 nan 0.000 0.568 236 M N -1.309 118.299 119.600 0.014 0.000 2.216 236 M HA 0.099 4.579 4.480 0.000 0.000 0.264 236 M C 2.663 178.968 176.300 0.008 0.000 1.080 236 M CA 2.414 57.722 55.300 0.014 0.000 1.153 236 M CB 0.057 32.669 32.600 0.019 0.000 1.356 236 M HN 0.583 nan 8.290 nan 0.000 0.432 237 T N -1.186 113.371 114.554 0.005 0.000 2.999 237 T HA 0.393 4.743 4.350 0.000 0.000 0.247 237 T C 0.349 175.045 174.700 -0.006 0.000 1.012 237 T CA 0.542 62.642 62.100 -0.000 0.000 1.048 237 T CB 1.021 69.889 68.868 -0.000 0.000 1.020 237 T HN 0.474 nan 8.240 nan 0.000 0.478 238 G N 2.332 111.125 108.800 -0.012 0.000 2.384 238 G HA2 0.446 4.406 3.960 0.000 0.000 0.300 238 G HA3 0.446 4.406 3.960 0.000 0.000 0.300 238 G C -3.329 171.548 174.900 -0.038 0.000 1.582 238 G CA -1.089 43.998 45.100 -0.021 0.000 0.875 238 G HN -0.101 nan 8.290 nan 0.000 0.628 239 P HA 0.300 nan 4.420 nan 0.000 0.268 239 P C -0.027 177.189 177.300 -0.141 0.000 1.205 239 P CA 0.245 63.296 63.100 -0.082 0.000 0.771 239 P CB 0.799 32.463 31.700 -0.060 0.000 0.858 240 T N 2.074 116.459 114.554 -0.282 0.000 2.771 240 T HA 0.325 4.676 4.350 0.000 0.000 0.291 240 T C 0.104 174.605 174.700 -0.333 0.000 0.954 240 T CA -0.296 61.572 62.100 -0.386 0.000 1.045 240 T CB 0.508 68.934 68.868 -0.736 0.000 0.917 240 T HN 0.109 nan 8.240 nan 0.000 0.484 241 V N 3.401 123.210 119.914 -0.175 0.000 2.448 241 V HA 0.616 4.736 4.120 0.000 0.000 0.295 241 V C -0.075 175.985 176.094 -0.056 0.000 1.025 241 V CA -0.637 61.605 62.300 -0.096 0.000 0.859 241 V CB 1.830 33.616 31.823 -0.062 0.000 0.988 241 V HN 0.950 nan 8.190 nan 0.000 0.431 242 S N 2.398 118.084 115.700 -0.024 0.000 2.599 242 S HA 0.566 5.036 4.470 0.000 0.000 0.287 242 S C -0.707 173.898 174.600 0.007 0.000 1.105 242 S CA -0.692 57.510 58.200 0.002 0.000 0.899 242 S CB 2.258 65.478 63.200 0.033 0.000 1.100 242 S HN 0.840 nan 8.310 nan 0.000 0.482 243 E N 0.883 121.088 120.200 0.009 0.000 2.366 243 E HA 0.438 4.788 4.350 0.000 0.000 0.266 243 E C -1.311 175.295 176.600 0.011 0.000 1.051 243 E CA -0.173 56.231 56.400 0.007 0.000 0.884 243 E CB 0.678 30.381 29.700 0.005 0.000 1.006 243 E HN 0.287 nan 8.360 nan 0.000 0.417 244 V N 5.516 125.435 119.914 0.009 0.000 2.540 244 V HA 0.231 4.351 4.120 0.000 0.000 0.302 244 V C -0.229 175.869 176.094 0.007 0.000 1.035 244 V CA -0.748 61.558 62.300 0.010 0.000 0.873 244 V CB 1.542 33.371 31.823 0.010 0.000 0.992 244 V HN 0.634 nan 8.190 nan 0.000 0.428 245 L N 5.673 126.900 121.223 0.007 0.000 2.404 245 L HA 0.408 4.748 4.340 0.000 0.000 0.277 245 L C 0.600 177.473 176.870 0.004 0.000 1.184 245 L CA 0.345 55.188 54.840 0.005 0.000 1.013 245 L CB -0.110 41.952 42.059 0.005 0.000 1.318 245 L HN 0.893 nan 8.230 nan 0.000 0.435 246 S N -0.785 114.917 115.700 0.003 0.000 2.851 246 S HA 0.403 4.873 4.470 0.000 0.000 0.313 246 S C 0.348 174.950 174.600 0.002 0.000 1.163 246 S CA -0.834 57.368 58.200 0.003 0.000 0.850 246 S CB 1.698 64.900 63.200 0.003 0.000 1.245 246 S HN 0.356 nan 8.310 nan 0.000 0.558 247 D N 0.761 121.161 120.400 0.001 0.000 2.149 247 D HA 0.084 4.724 4.640 0.000 0.000 0.201 247 D C 0.499 176.799 176.300 0.000 0.000 0.972 247 D CA 1.223 55.224 54.000 0.001 0.000 0.835 247 D CB -0.574 40.226 40.800 0.001 0.000 0.966 247 D HN 0.451 nan 8.370 nan 0.000 0.476 248 N N -0.553 118.148 118.700 0.000 0.000 2.458 248 N HA 0.359 5.099 4.740 0.000 0.000 0.271 248 N C 0.084 175.594 175.510 -0.000 0.000 1.210 248 N CA -0.304 52.746 53.050 -0.000 0.000 0.978 248 N CB 1.233 39.720 38.487 -0.001 0.000 1.206 248 N HN -0.097 nan 8.380 nan 0.000 0.536 249 G N 0.474 109.274 108.800 -0.001 0.000 2.852 249 G HA2 0.250 4.210 3.960 0.000 0.000 0.280 249 G HA3 0.250 4.210 3.960 0.000 0.000 0.280 249 G C -0.544 174.355 174.900 -0.001 0.000 0.731 249 G CA -0.171 44.928 45.100 -0.001 0.000 2.037 249 G HN 0.343 nan 8.290 nan 0.000 0.560 250 V N 2.687 122.601 119.914 0.000 0.000 2.481 250 V HA 0.463 4.583 4.120 0.000 0.000 0.286 250 V C 0.610 176.705 176.094 0.002 0.000 1.042 250 V CA -0.599 61.701 62.300 0.001 0.000 0.928 250 V CB 1.438 33.262 31.823 0.003 0.000 0.986 250 V HN 0.565 nan 8.190 nan 0.000 0.462 251 V N 2.261 122.175 119.914 0.001 0.000 2.994 251 V HA 1.019 5.139 4.120 0.000 0.000 0.318 251 V C 0.033 176.131 176.094 0.007 0.000 1.085 251 V CA -0.881 61.420 62.300 0.001 0.000 0.998 251 V CB 1.810 33.629 31.823 -0.006 0.000 1.063 251 V HN 1.011 nan 8.190 nan 0.000 0.447 252 A N 1.933 124.761 122.820 0.013 0.000 2.318 252 A HA 0.842 5.162 4.320 0.000 0.000 0.324 252 A C -0.688 176.908 177.584 0.020 0.000 1.170 252 A CA -0.631 51.423 52.037 0.029 0.000 0.810 252 A CB 1.389 20.420 19.000 0.051 0.000 1.198 252 A HN 1.280 nan 8.150 nan 0.000 0.484 253 V N 5.134 125.062 119.914 0.024 0.000 2.487 253 V HA 0.476 4.596 4.120 0.000 0.000 0.298 253 V C -0.391 175.732 176.094 0.047 0.000 1.028 253 V CA -0.558 61.734 62.300 -0.012 0.000 0.860 253 V CB 1.385 33.198 31.823 -0.017 0.000 0.991 253 V HN 1.046 nan 8.190 nan 0.000 0.427 254 H N 2.976 122.046 119.070 0.000 0.000 2.637 254 H HA 0.932 5.488 4.556 0.000 0.000 0.363 254 H C -0.886 174.443 175.328 0.002 0.000 1.131 254 H CA -0.943 55.106 56.048 0.001 0.000 1.183 254 H CB 2.530 32.293 29.762 0.002 0.000 1.637 254 H HN 0.765 nan 8.280 nan 0.000 0.531 255 A N 2.732 125.642 122.820 0.150 0.000 2.574 255 A HA 0.434 4.754 4.320 0.000 0.000 0.297 255 A C -0.978 176.657 177.584 0.086 0.000 1.062 255 A CA -0.744 51.344 52.037 0.085 0.000 0.686 255 A CB 1.653 20.672 19.000 0.032 0.000 1.285 255 A HN 0.465 nan 8.150 nan 0.000 0.403 256 V N 1.923 121.879 119.914 0.070 0.000 2.521 256 V HA 0.431 4.551 4.120 0.000 0.000 0.286 256 V C 0.492 176.607 176.094 0.036 0.000 1.034 256 V CA 0.205 62.535 62.300 0.050 0.000 1.045 256 V CB 0.698 32.547 31.823 0.042 0.000 0.974 256 V HN 1.378 nan 8.190 nan 0.000 0.480 257 V N 1.812 121.745 119.914 0.032 0.000 2.876 257 V HA 0.672 4.792 4.120 0.000 0.000 0.312 257 V C -0.655 175.455 176.094 0.027 0.000 1.085 257 V CA -0.893 61.423 62.300 0.028 0.000 0.945 257 V CB 2.061 33.901 31.823 0.028 0.000 1.017 257 V HN 0.785 nan 8.190 nan 0.000 0.428 258 D N 2.699 123.114 120.400 0.025 0.000 2.341 258 D HA 0.263 4.903 4.640 0.000 0.000 0.245 258 D C 1.165 177.483 176.300 0.030 0.000 1.106 258 D CA -0.086 53.929 54.000 0.025 0.000 0.905 258 D CB 1.413 42.227 40.800 0.022 0.000 1.202 258 D HN 0.696 nan 8.370 nan 0.000 0.426 259 E N 2.145 122.363 120.200 0.030 0.000 2.209 259 E HA -0.199 4.151 4.350 0.000 0.000 0.196 259 E C 1.440 178.065 176.600 0.042 0.000 0.993 259 E CA 0.921 57.342 56.400 0.035 0.000 0.819 259 E CB 0.067 29.783 29.700 0.027 0.000 0.745 259 E HN 0.535 nan 8.360 nan 0.000 0.477 260 K N 0.582 121.004 120.400 0.036 0.000 2.211 260 K HA -0.182 4.138 4.320 0.000 0.000 0.204 260 K C 2.077 178.711 176.600 0.056 0.000 1.047 260 K CA 1.464 57.775 56.287 0.041 0.000 0.935 260 K CB -0.033 32.485 32.500 0.030 0.000 0.728 260 K HN 0.294 nan 8.250 nan 0.000 0.452 261 E N 0.740 120.971 120.200 0.051 0.000 2.460 261 E HA -0.063 4.287 4.350 0.000 0.000 0.200 261 E C 1.870 178.506 176.600 0.060 0.000 1.011 261 E CA 0.430 56.860 56.400 0.050 0.000 0.912 261 E CB 0.040 29.758 29.700 0.031 0.000 0.953 261 E HN 0.117 nan 8.360 nan 0.000 0.494 262 V N 0.021 119.979 119.914 0.073 0.000 2.332 262 V HA -0.230 3.890 4.120 0.000 0.000 0.248 262 V C 2.098 178.256 176.094 0.106 0.000 1.055 262 V CA 1.734 64.080 62.300 0.076 0.000 1.038 262 V CB -0.928 30.939 31.823 0.074 0.000 0.651 262 V HN 0.293 nan 8.190 nan 0.000 0.450 263 F N 2.706 122.659 119.950 0.004 0.000 2.102 263 F HA -0.060 4.467 4.527 0.000 0.000 0.298 263 F C 2.225 178.027 175.800 0.003 0.000 1.105 263 F CA 2.331 60.333 58.000 0.004 0.000 1.239 263 F CB -0.642 38.360 39.000 0.003 0.000 0.991 263 F HN 0.233 nan 8.300 nan 0.000 0.474 264 N N 0.645 119.315 118.700 -0.049 0.000 2.166 264 N HA -0.168 4.572 4.740 0.000 0.000 0.186 264 N C 1.884 177.308 175.510 -0.144 0.000 1.019 264 N CA 1.353 54.317 53.050 -0.145 0.000 0.856 264 N CB -0.817 37.663 38.487 -0.012 0.000 0.993 264 N HN 0.344 nan 8.380 nan 0.000 0.426 265 L N 1.154 122.333 121.223 -0.074 0.000 2.017 265 L HA -0.032 4.308 4.340 0.000 0.000 0.208 265 L C 1.914 178.732 176.870 -0.086 0.000 1.073 265 L CA 1.260 56.066 54.840 -0.058 0.000 0.745 265 L CB -0.579 41.470 42.059 -0.017 0.000 0.894 265 L HN 0.076 nan 8.230 nan 0.000 0.432 266 I N 0.108 120.614 120.570 -0.107 0.000 2.118 266 I HA -0.380 3.790 4.170 0.000 0.000 0.241 266 I C 2.100 178.126 176.117 -0.152 0.000 1.070 266 I CA 1.656 62.891 61.300 -0.110 0.000 1.327 266 I CB -0.643 37.304 38.000 -0.089 0.000 1.034 266 I HN 0.411 nan 8.210 nan 0.000 0.405 267 N N 0.761 119.303 118.700 -0.263 0.000 2.120 267 N HA -0.166 4.574 4.740 0.000 0.000 0.188 267 N C 1.937 177.363 175.510 -0.139 0.000 1.024 267 N CA 1.271 54.182 53.050 -0.232 0.000 0.852 267 N CB -0.475 37.807 38.487 -0.341 0.000 1.003 267 N HN 0.342 nan 8.380 nan 0.000 0.424 268 R N 0.368 120.793 120.500 -0.125 0.000 2.092 268 R HA 0.104 4.444 4.340 0.000 0.000 0.231 268 R C 2.208 178.474 176.300 -0.057 0.000 1.119 268 R CA 0.653 56.706 56.100 -0.078 0.000 0.970 268 R CB -0.190 30.072 30.300 -0.065 0.000 0.864 268 R HN 0.203 nan 8.270 nan 0.000 0.440 269 L N 0.367 121.556 121.223 -0.057 0.000 2.044 269 L HA -0.157 4.183 4.340 0.000 0.000 0.205 269 L C 2.291 179.139 176.870 -0.036 0.000 1.075 269 L CA 1.092 55.909 54.840 -0.039 0.000 0.747 269 L CB -0.366 41.674 42.059 -0.031 0.000 0.903 269 L HN 0.022 nan 8.230 nan 0.000 0.435 270 K N 0.517 120.890 120.400 -0.046 0.000 2.063 270 K HA -0.122 4.198 4.320 0.000 0.000 0.208 270 K C 2.105 178.685 176.600 -0.033 0.000 1.048 270 K CA 1.558 57.822 56.287 -0.037 0.000 0.928 270 K CB -0.531 31.942 32.500 -0.044 0.000 0.713 270 K HN 0.279 nan 8.250 nan 0.000 0.442 271 A N 0.711 123.507 122.820 -0.040 0.000 2.121 271 A HA -0.059 4.261 4.320 0.000 0.000 0.218 271 A C 2.156 179.724 177.584 -0.025 0.000 1.154 271 A CA 1.035 53.053 52.037 -0.033 0.000 0.679 271 A CB -0.145 18.831 19.000 -0.039 0.000 0.795 271 A HN 0.082 nan 8.150 nan 0.000 0.458 272 V N -1.713 118.186 119.914 -0.025 0.000 3.660 272 V HA 0.343 4.463 4.120 0.000 0.000 0.276 272 V C 1.594 177.679 176.094 -0.015 0.000 1.317 272 V CA 1.074 63.362 62.300 -0.019 0.000 1.097 272 V CB 0.089 31.900 31.823 -0.020 0.000 0.863 272 V HN 0.988 nan 8.190 nan 0.000 0.438 273 G N 0.159 108.949 108.800 -0.015 0.000 2.168 273 G HA2 -0.082 3.878 3.960 0.000 0.000 0.197 273 G HA3 -0.082 3.878 3.960 0.000 0.000 0.197 273 G C 0.257 175.151 174.900 -0.010 0.000 0.997 273 G CA -0.040 45.053 45.100 -0.011 0.000 0.658 273 G HN 0.902 nan 8.290 nan 0.000 0.513 274 A N 0.732 123.545 122.820 -0.012 0.000 2.477 274 A HA 0.709 5.029 4.320 0.000 0.000 0.246 274 A C 0.871 178.451 177.584 -0.007 0.000 1.078 274 A CA 0.864 52.896 52.037 -0.008 0.000 0.770 274 A CB 0.164 19.158 19.000 -0.010 0.000 1.011 274 A HN 1.162 nan 8.150 nan 0.000 0.494 275 R N 1.252 121.751 120.500 -0.002 0.000 2.888 275 R HA 0.608 4.948 4.340 0.000 0.000 0.264 275 R C -1.340 174.962 176.300 0.004 0.000 1.045 275 R CA -0.665 55.435 56.100 0.000 0.000 0.962 275 R CB 0.773 31.073 30.300 0.000 0.000 1.210 275 R HN 0.532 nan 8.270 nan 0.000 0.479 276 D N 0.555 120.959 120.400 0.005 0.000 2.699 276 D HA -0.150 4.490 4.640 0.000 0.000 0.239 276 D C -0.350 175.956 176.300 0.011 0.000 1.136 276 D CA 0.886 54.890 54.000 0.008 0.000 0.668 276 D CB -1.279 39.526 40.800 0.008 0.000 1.060 276 D HN 0.482 nan 8.370 nan 0.000 0.429 277 I N 0.641 121.217 120.570 0.010 0.000 2.517 277 I HA 0.067 4.237 4.170 0.000 0.000 0.285 277 I C 1.019 177.145 176.117 0.015 0.000 1.106 277 I CA 0.003 61.311 61.300 0.013 0.000 1.402 277 I CB 0.342 38.348 38.000 0.010 0.000 1.399 277 I HN -0.053 nan 8.210 nan 0.000 0.535 278 L N 6.996 128.228 121.223 0.016 0.000 2.334 278 L HA 0.622 4.962 4.340 0.000 0.000 0.276 278 L C -0.555 176.323 176.870 0.014 0.000 1.014 278 L CA -1.038 53.810 54.840 0.012 0.000 0.815 278 L CB 1.857 43.919 42.059 0.006 0.000 1.268 278 L HN 0.237 nan 8.230 nan 0.000 0.428 279 V N 3.550 123.471 119.914 0.012 0.000 2.350 279 V HA 0.386 4.506 4.120 0.000 0.000 0.285 279 V C 0.003 176.099 176.094 0.003 0.000 1.014 279 V CA -0.574 61.733 62.300 0.012 0.000 0.831 279 V CB 1.873 33.708 31.823 0.020 0.000 1.000 279 V HN 0.465 nan 8.190 nan 0.000 0.433 280 V N 7.504 127.416 119.914 -0.004 0.000 2.483 280 V HA 0.492 4.612 4.120 0.000 0.000 0.295 280 V C -2.042 174.046 176.094 -0.011 0.000 1.035 280 V CA -1.901 60.390 62.300 -0.014 0.000 0.896 280 V CB 2.186 33.989 31.823 -0.035 0.000 0.986 280 V HN 0.700 nan 8.190 nan 0.000 0.447 281 P HA 0.381 nan 4.420 nan 0.000 0.275 281 P C -0.931 176.364 177.300 -0.008 0.000 1.228 281 P CA -0.106 62.991 63.100 -0.006 0.000 0.786 281 P CB 1.157 32.853 31.700 -0.006 0.000 0.927 282 I N 1.724 122.292 120.570 -0.003 0.000 2.389 282 I HA 0.217 4.387 4.170 0.000 0.000 0.288 282 I C 1.607 177.724 176.117 0.001 0.000 0.999 282 I CA -0.429 60.871 61.300 -0.002 0.000 1.129 282 I CB 2.145 40.147 38.000 0.004 0.000 1.288 282 I HN 0.425 nan 8.210 nan 0.000 0.444 283 E N 5.334 125.535 120.200 0.001 0.000 2.076 283 E HA 0.105 4.455 4.350 0.000 0.000 0.190 283 E C 0.260 176.864 176.600 0.007 0.000 0.979 283 E CA 0.850 57.251 56.400 0.003 0.000 0.807 283 E CB 0.585 30.286 29.700 0.002 0.000 0.761 283 E HN 0.485 nan 8.360 nan 0.000 0.454 284 R N 0.062 120.567 120.500 0.009 0.000 2.604 284 R HA 0.492 4.832 4.340 0.000 0.000 0.281 284 R C -1.181 175.127 176.300 0.014 0.000 1.020 284 R CA -0.483 55.625 56.100 0.013 0.000 0.899 284 R CB 2.030 32.339 30.300 0.015 0.000 1.205 284 R HN -0.001 nan 8.270 nan 0.000 0.450 285 I N 4.236 124.816 120.570 0.016 0.000 2.433 285 I HA 0.455 4.625 4.170 0.000 0.000 0.292 285 I C -0.406 175.722 176.117 0.018 0.000 1.001 285 I CA -0.876 60.434 61.300 0.017 0.000 1.119 285 I CB 1.892 39.903 38.000 0.018 0.000 1.289 285 I HN 0.380 nan 8.210 nan 0.000 0.438 286 I N 6.081 126.662 120.570 0.018 0.000 2.466 286 I HA 0.373 4.543 4.170 0.000 0.000 0.279 286 I C -1.895 174.233 176.117 0.018 0.000 1.033 286 I CA -1.449 59.863 61.300 0.019 0.000 1.123 286 I CB 0.446 38.457 38.000 0.019 0.000 1.237 286 I HN 0.403 nan 8.210 nan 0.000 0.460 287 P HA 0.000 nan 4.420 nan 0.000 0.216 287 P CA 0.000 63.109 63.100 0.016 0.000 0.800 287 P CB 0.000 31.709 31.700 0.014 0.000 0.726