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 1o87_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGMG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.193 176.300 -0.179 0.000 1.140 1 M CA 0.000 55.154 55.300 -0.242 0.000 0.988 1 M CB 0.000 32.293 32.600 -0.511 0.000 1.302 2 F N 3.160 123.126 119.950 0.028 0.000 2.318 2 F HA 0.407 4.935 4.527 0.001 0.000 0.356 2 F C 1.437 177.244 175.800 0.011 0.000 1.109 2 F CA -0.523 57.488 58.000 0.019 0.000 1.234 2 F CB 0.215 39.224 39.000 0.015 0.000 1.545 2 F HN 0.413 nan 8.300 nan 0.000 0.534 3 Q N 1.596 121.491 119.800 0.159 0.000 2.112 3 Q HA -0.276 4.065 4.340 0.002 0.000 0.206 3 Q C 1.841 177.887 176.000 0.076 0.000 0.987 3 Q CA 2.134 57.991 55.803 0.090 0.000 0.858 3 Q CB -0.060 28.715 28.738 0.062 0.000 0.905 3 Q HN 0.772 nan 8.270 nan 0.000 0.420 4 Q N -0.036 119.808 119.800 0.073 0.000 1.993 4 Q HA -0.194 4.147 4.340 0.002 0.000 0.202 4 Q C 2.322 178.348 176.000 0.043 0.000 0.984 4 Q CA 1.603 57.432 55.803 0.044 0.000 0.837 4 Q CB -0.166 28.587 28.738 0.025 0.000 0.902 4 Q HN 0.457 nan 8.270 nan 0.000 0.423 5 L N 0.558 121.816 121.223 0.058 0.000 2.012 5 L HA -0.171 4.170 4.340 0.002 0.000 0.210 5 L C 2.478 179.387 176.870 0.064 0.000 1.073 5 L CA 2.419 57.286 54.840 0.045 0.000 0.748 5 L CB -0.970 41.121 42.059 0.054 0.000 0.891 5 L HN 0.252 nan 8.230 nan 0.000 0.431 6 S N -0.795 114.964 115.700 0.097 0.000 2.359 6 S HA -0.217 4.254 4.470 0.002 0.000 0.224 6 S C 2.144 176.777 174.600 0.055 0.000 1.035 6 S CA 1.477 59.724 58.200 0.080 0.000 1.018 6 S CB -0.551 62.693 63.200 0.073 0.000 0.876 6 S HN 0.661 nan 8.310 nan 0.000 0.448 7 A N 2.117 124.965 122.820 0.046 0.000 1.898 7 A HA -0.009 4.312 4.320 0.002 0.000 0.216 7 A C 2.308 179.910 177.584 0.029 0.000 1.181 7 A CA 1.102 53.159 52.037 0.034 0.000 0.620 7 A CB -0.625 18.392 19.000 0.028 0.000 0.819 7 A HN 0.468 nan 8.150 nan 0.000 0.442 8 R N -0.320 120.195 120.500 0.025 0.000 2.083 8 R HA -0.089 4.252 4.340 0.002 0.000 0.237 8 R C 2.125 178.439 176.300 0.023 0.000 1.137 8 R CA 1.450 57.561 56.100 0.017 0.000 0.951 8 R CB -1.031 29.272 30.300 0.005 0.000 0.851 8 R HN 0.608 nan 8.270 nan 0.000 0.434 9 L N 0.783 122.024 121.223 0.031 0.000 1.994 9 L HA -0.223 4.118 4.340 0.002 0.000 0.208 9 L C 2.625 179.526 176.870 0.052 0.000 1.071 9 L CA 1.540 56.408 54.840 0.047 0.000 0.745 9 L CB -0.526 41.572 42.059 0.064 0.000 0.892 9 L HN 0.230 nan 8.230 nan 0.000 0.431 10 Q N -0.344 119.485 119.800 0.048 0.000 2.170 10 Q HA -0.218 4.123 4.340 0.002 0.000 0.203 10 Q C 2.098 178.118 176.000 0.034 0.000 0.976 10 Q CA 1.301 57.130 55.803 0.043 0.000 0.858 10 Q CB -0.070 28.691 28.738 0.038 0.000 0.907 10 Q HN 0.543 nan 8.270 nan 0.000 0.433 11 E N 0.589 120.806 120.200 0.029 0.000 2.047 11 E HA -0.171 4.180 4.350 0.002 0.000 0.191 11 E C 2.013 178.628 176.600 0.024 0.000 0.987 11 E CA 0.921 57.335 56.400 0.023 0.000 0.799 11 E CB -0.095 29.617 29.700 0.020 0.000 0.752 11 E HN 0.346 nan 8.360 nan 0.000 0.449 12 A N 0.769 123.606 122.820 0.028 0.000 1.933 12 A HA -0.178 4.143 4.320 0.002 0.000 0.218 12 A C 2.101 179.705 177.584 0.033 0.000 1.175 12 A CA 1.162 53.217 52.037 0.029 0.000 0.628 12 A CB -0.446 18.574 19.000 0.034 0.000 0.814 12 A HN 0.140 nan 8.150 nan 0.000 0.444 13 I N -0.516 120.077 120.570 0.038 0.000 2.286 13 I HA -0.094 4.077 4.170 0.002 0.000 0.245 13 I C 2.617 178.750 176.117 0.028 0.000 1.104 13 I CA 1.189 62.512 61.300 0.037 0.000 1.397 13 I CB -0.382 37.645 38.000 0.046 0.000 1.072 13 I HN 0.343 nan 8.210 nan 0.000 0.417 14 G N -0.047 108.768 108.800 0.025 0.000 2.470 14 G HA2 -0.255 3.706 3.960 0.002 0.000 0.220 14 G HA3 -0.255 3.706 3.960 0.002 0.000 0.220 14 G C 1.753 176.662 174.900 0.016 0.000 1.121 14 G CA 0.389 45.500 45.100 0.019 0.000 0.766 14 G HN 0.206 nan 8.290 nan 0.000 0.553 15 R N -0.338 120.173 120.500 0.017 0.000 2.120 15 R HA 0.119 4.460 4.340 0.002 0.000 0.234 15 R C 2.309 178.617 176.300 0.014 0.000 1.123 15 R CA 0.796 56.905 56.100 0.015 0.000 0.975 15 R CB -0.235 30.075 30.300 0.016 0.000 0.866 15 R HN 0.399 nan 8.270 nan 0.000 0.446 16 L N -0.017 121.216 121.223 0.016 0.000 2.341 16 L HA 0.062 4.403 4.340 0.002 0.000 0.214 16 L C 0.738 177.615 176.870 0.012 0.000 1.115 16 L CA 0.124 54.973 54.840 0.015 0.000 0.820 16 L CB -0.166 41.903 42.059 0.017 0.000 0.944 16 L HN 0.049 nan 8.230 nan 0.000 0.452 17 R N 0.880 121.387 120.500 0.012 0.000 2.585 17 R HA 0.096 4.436 4.340 0.002 0.000 0.275 17 R C 1.056 177.360 176.300 0.007 0.000 1.018 17 R CA 0.876 56.981 56.100 0.009 0.000 1.072 17 R CB 0.110 30.416 30.300 0.009 0.000 0.953 17 R HN 0.334 nan 8.270 nan 0.000 0.419 18 G N 2.619 111.423 108.800 0.006 0.000 2.179 18 G HA2 -0.335 3.626 3.960 0.002 0.000 0.257 18 G HA3 -0.335 3.626 3.960 0.002 0.000 0.257 18 G C 0.649 175.552 174.900 0.005 0.000 1.010 18 G CA 0.491 45.594 45.100 0.004 0.000 0.736 18 G HN 0.669 nan 8.290 nan 0.000 0.513 19 R N -0.268 120.235 120.500 0.006 0.000 2.437 19 R HA 0.439 4.780 4.340 0.002 0.000 0.257 19 R C 1.541 177.844 176.300 0.005 0.000 0.927 19 R CA 0.461 56.564 56.100 0.006 0.000 1.078 19 R CB 0.617 30.921 30.300 0.007 0.000 1.161 19 R HN 1.386 nan 8.270 nan 0.000 0.529 20 G N 2.126 110.928 108.800 0.005 0.000 2.593 20 G HA2 -0.310 3.651 3.960 0.002 0.000 0.237 20 G HA3 -0.310 3.651 3.960 0.002 0.000 0.237 20 G C -0.604 174.299 174.900 0.005 0.000 1.312 20 G CA -0.633 44.469 45.100 0.004 0.000 0.896 20 G HN 0.262 nan 8.290 nan 0.000 0.574 21 R N -0.030 120.473 120.500 0.005 0.000 2.698 21 R HA 0.358 4.699 4.340 0.002 0.000 0.266 21 R C 0.894 177.197 176.300 0.006 0.000 1.026 21 R CA 0.956 57.060 56.100 0.005 0.000 1.102 21 R CB -0.034 30.269 30.300 0.004 0.000 0.978 21 R HN 0.687 nan 8.270 nan 0.000 0.436 22 I N -1.821 118.753 120.570 0.007 0.000 2.648 22 I HA 0.444 4.614 4.170 0.002 0.000 0.304 22 I C 0.490 176.611 176.117 0.008 0.000 1.009 22 I CA -1.005 60.300 61.300 0.008 0.000 1.114 22 I CB 2.043 40.049 38.000 0.010 0.000 1.293 22 I HN 0.544 nan 8.210 nan 0.000 0.449 23 T N -0.313 114.246 114.554 0.008 0.000 2.788 23 T HA 0.204 4.555 4.350 0.002 0.000 0.280 23 T C 0.849 175.554 174.700 0.008 0.000 0.984 23 T CA 0.077 62.182 62.100 0.007 0.000 0.972 23 T CB 1.550 70.422 68.868 0.007 0.000 1.039 23 T HN 0.877 nan 8.240 nan 0.000 0.530 24 E N 0.061 120.266 120.200 0.008 0.000 2.110 24 E HA -0.169 4.182 4.350 0.002 0.000 0.193 24 E C 1.976 178.582 176.600 0.010 0.000 0.988 24 E CA 1.556 57.962 56.400 0.009 0.000 0.804 24 E CB -0.304 29.400 29.700 0.008 0.000 0.745 24 E HN 0.748 nan 8.360 nan 0.000 0.458 25 E N 0.071 120.277 120.200 0.009 0.000 2.051 25 E HA -0.196 4.155 4.350 0.002 0.000 0.192 25 E C 1.645 178.252 176.600 0.011 0.000 0.991 25 E CA 1.370 57.776 56.400 0.009 0.000 0.799 25 E CB -0.112 29.593 29.700 0.008 0.000 0.748 25 E HN 0.425 nan 8.360 nan 0.000 0.449 26 D N 0.745 121.152 120.400 0.011 0.000 2.117 26 D HA -0.162 4.479 4.640 0.002 0.000 0.197 26 D C 2.071 178.380 176.300 0.015 0.000 0.987 26 D CA 0.604 54.611 54.000 0.012 0.000 0.829 26 D CB -0.308 40.499 40.800 0.011 0.000 0.961 26 D HN 0.095 nan 8.370 nan 0.000 0.460 27 L N 1.352 122.584 121.223 0.015 0.000 2.042 27 L HA -0.169 4.172 4.340 0.002 0.000 0.210 27 L C 1.944 178.827 176.870 0.021 0.000 1.076 27 L CA 1.823 56.674 54.840 0.018 0.000 0.749 27 L CB -0.310 41.759 42.059 0.016 0.000 0.893 27 L HN -0.147 nan 8.230 nan 0.000 0.432 28 K N -0.590 119.821 120.400 0.018 0.000 2.057 28 K HA -0.091 4.230 4.320 0.002 0.000 0.207 28 K C 2.112 178.724 176.600 0.019 0.000 1.049 28 K CA 1.250 57.548 56.287 0.019 0.000 0.931 28 K CB -0.406 32.103 32.500 0.015 0.000 0.714 28 K HN 0.498 nan 8.250 nan 0.000 0.440 29 A N 0.850 123.681 122.820 0.017 0.000 1.908 29 A HA -0.176 4.145 4.320 0.002 0.000 0.218 29 A C 2.184 179.780 177.584 0.020 0.000 1.181 29 A CA 2.106 54.152 52.037 0.016 0.000 0.627 29 A CB -0.913 18.095 19.000 0.014 0.000 0.818 29 A HN 0.255 nan 8.150 nan 0.000 0.445 30 T N 0.259 114.828 114.554 0.025 0.000 2.857 30 T HA -0.012 4.339 4.350 0.002 0.000 0.266 30 T C 1.789 176.513 174.700 0.041 0.000 1.048 30 T CA 1.288 63.407 62.100 0.031 0.000 1.139 30 T CB -0.326 68.562 68.868 0.033 0.000 0.874 30 T HN 0.368 nan 8.240 nan 0.000 0.455 31 L N 0.449 121.697 121.223 0.042 0.000 2.046 31 L HA -0.081 4.260 4.340 0.002 0.000 0.208 31 L C 2.907 179.804 176.870 0.045 0.000 1.077 31 L CA 1.366 56.239 54.840 0.054 0.000 0.747 31 L CB -0.473 41.615 42.059 0.049 0.000 0.896 31 L HN 0.146 nan 8.230 nan 0.000 0.432 32 R N 0.186 120.704 120.500 0.030 0.000 2.083 32 R HA -0.204 4.137 4.340 0.002 0.000 0.237 32 R C 2.188 178.497 176.300 0.015 0.000 1.137 32 R CA 1.848 57.960 56.100 0.020 0.000 0.951 32 R CB -0.446 29.863 30.300 0.014 0.000 0.851 32 R HN 0.497 nan 8.270 nan 0.000 0.434 33 E N 0.511 120.721 120.200 0.017 0.000 2.085 33 E HA -0.205 4.146 4.350 0.002 0.000 0.194 33 E C 2.070 178.676 176.600 0.009 0.000 0.994 33 E CA 1.276 57.683 56.400 0.012 0.000 0.801 33 E CB -0.232 29.478 29.700 0.017 0.000 0.743 33 E HN 0.367 nan 8.360 nan 0.000 0.453 34 I N 0.719 121.305 120.570 0.025 0.000 2.179 34 I HA -0.266 3.905 4.170 0.002 0.000 0.242 34 I C 2.687 178.791 176.117 -0.021 0.000 1.088 34 I CA 1.012 62.326 61.300 0.023 0.000 1.357 34 I CB -0.161 37.896 38.000 0.095 0.000 1.051 34 I HN -0.002 nan 8.210 nan 0.000 0.409 35 R N 1.307 121.807 120.500 0.001 0.000 2.083 35 R HA -0.149 4.192 4.340 0.002 0.000 0.237 35 R C 2.366 178.641 176.300 -0.042 0.000 1.137 35 R CA 1.640 57.728 56.100 -0.019 0.000 0.951 35 R CB -0.260 30.044 30.300 0.007 0.000 0.851 35 R HN 0.207 nan 8.270 nan 0.000 0.434 36 R N -0.496 119.987 120.500 -0.028 0.000 2.096 36 R HA -0.031 4.310 4.340 0.002 0.000 0.235 36 R C 2.273 178.545 176.300 -0.045 0.000 1.127 36 R CA 1.255 57.336 56.100 -0.032 0.000 0.968 36 R CB -0.386 29.903 30.300 -0.018 0.000 0.861 36 R HN 0.313 nan 8.270 nan 0.000 0.440 37 A N 1.182 123.973 122.820 -0.049 0.000 1.933 37 A HA -0.132 4.189 4.320 0.002 0.000 0.218 37 A C 2.137 179.664 177.584 -0.095 0.000 1.175 37 A CA 1.193 53.195 52.037 -0.058 0.000 0.628 37 A CB -0.450 18.523 19.000 -0.046 0.000 0.814 37 A HN 0.173 nan 8.150 nan 0.000 0.444 38 L N -1.359 119.781 121.223 -0.137 0.000 2.072 38 L HA -0.156 4.185 4.340 0.002 0.000 0.205 38 L C 2.717 179.506 176.870 -0.136 0.000 1.079 38 L CA 0.825 55.553 54.840 -0.186 0.000 0.752 38 L CB -0.493 41.398 42.059 -0.279 0.000 0.906 38 L HN 0.267 nan 8.230 nan 0.000 0.436 39 M N -0.392 119.147 119.600 -0.100 0.000 2.117 39 M HA -0.175 4.306 4.480 0.002 0.000 0.262 39 M C 1.697 177.954 176.300 -0.072 0.000 1.065 39 M CA 1.584 56.837 55.300 -0.079 0.000 1.114 39 M CB -1.103 31.463 32.600 -0.057 0.000 1.361 39 M HN 0.154 nan 8.290 nan 0.000 0.408 40 D N 0.248 120.610 120.400 -0.065 0.000 2.269 40 D HA 0.031 4.672 4.640 0.002 0.000 0.208 40 D C 1.556 177.816 176.300 -0.067 0.000 0.963 40 D CA 0.924 54.891 54.000 -0.055 0.000 0.864 40 D CB -0.096 40.680 40.800 -0.041 0.000 0.936 40 D HN 0.318 nan 8.370 nan 0.000 0.505 41 A N 0.378 123.145 122.820 -0.089 0.000 2.278 41 A HA 0.048 4.369 4.320 0.002 0.000 0.212 41 A C 0.459 177.962 177.584 -0.134 0.000 1.213 41 A CA 0.312 52.280 52.037 -0.115 0.000 0.840 41 A CB -0.115 18.802 19.000 -0.139 0.000 0.866 41 A HN 0.031 nan 8.150 nan 0.000 0.489 42 D N -1.551 118.784 120.400 -0.109 0.000 2.800 42 D HA -0.130 4.511 4.640 0.002 0.000 0.232 42 D C -0.419 175.810 176.300 -0.119 0.000 1.137 42 D CA 0.822 54.761 54.000 -0.102 0.000 0.718 42 D CB -1.868 38.876 40.800 -0.094 0.000 1.084 42 D HN 0.193 nan 8.370 nan 0.000 0.432 43 V N 1.551 121.386 119.914 -0.132 0.000 2.555 43 V HA 0.080 4.201 4.120 0.002 0.000 0.286 43 V C 1.277 177.299 176.094 -0.120 0.000 1.044 43 V CA -0.528 61.689 62.300 -0.138 0.000 1.026 43 V CB 1.372 33.095 31.823 -0.166 0.000 0.981 43 V HN 0.418 nan 8.190 nan 0.000 0.480 44 N N 3.470 122.097 118.700 -0.123 0.000 2.217 44 N HA -0.109 4.632 4.740 0.002 0.000 0.268 44 N C 0.931 176.355 175.510 -0.144 0.000 1.290 44 N CA -0.163 52.806 53.050 -0.134 0.000 0.831 44 N CB 0.637 39.018 38.487 -0.176 0.000 1.057 44 N HN 0.666 nan 8.380 nan 0.000 0.481 45 L N 4.884 126.040 121.223 -0.112 0.000 2.043 45 L HA -0.156 4.185 4.340 0.002 0.000 0.212 45 L C 2.078 178.891 176.870 -0.095 0.000 1.075 45 L CA 1.876 56.664 54.840 -0.086 0.000 0.752 45 L CB -0.571 41.453 42.059 -0.059 0.000 0.891 45 L HN 0.687 nan 8.230 nan 0.000 0.432 46 E N -1.049 119.065 120.200 -0.142 0.000 2.072 46 E HA -0.176 4.175 4.350 0.002 0.000 0.191 46 E C 2.146 178.638 176.600 -0.179 0.000 0.985 46 E CA 1.511 57.820 56.400 -0.152 0.000 0.801 46 E CB -0.105 29.478 29.700 -0.196 0.000 0.750 46 E HN 0.444 nan 8.360 nan 0.000 0.452 47 V N 1.384 121.116 119.914 -0.302 0.000 2.287 47 V HA -0.303 3.818 4.120 0.002 0.000 0.248 47 V C 2.364 178.450 176.094 -0.013 0.000 1.053 47 V CA 1.941 64.147 62.300 -0.156 0.000 1.027 47 V CB -0.777 30.951 31.823 -0.157 0.000 0.646 47 V HN 0.314 nan 8.190 nan 0.000 0.447 48 A N -0.326 122.461 122.820 -0.055 0.000 1.902 48 A HA -0.238 4.083 4.320 0.002 0.000 0.217 48 A C 2.440 180.053 177.584 0.050 0.000 1.181 48 A CA 1.982 54.000 52.037 -0.031 0.000 0.623 48 A CB -0.545 18.406 19.000 -0.083 0.000 0.818 48 A HN 0.465 nan 8.150 nan 0.000 0.443 49 R N -0.465 120.048 120.500 0.022 0.000 2.075 49 R HA -0.143 4.198 4.340 0.002 0.000 0.232 49 R C 1.395 177.736 176.300 0.069 0.000 1.126 49 R CA 1.694 57.818 56.100 0.040 0.000 0.963 49 R CB -0.308 30.000 30.300 0.014 0.000 0.858 49 R HN 0.441 nan 8.270 nan 0.000 0.435 50 D N -0.013 120.429 120.400 0.071 0.000 2.144 50 D HA -0.189 4.452 4.640 0.002 0.000 0.199 50 D C 1.505 177.869 176.300 0.107 0.000 0.984 50 D CA 0.976 55.024 54.000 0.080 0.000 0.834 50 D CB -0.351 40.500 40.800 0.085 0.000 0.955 50 D HN 0.167 nan 8.370 nan 0.000 0.465 51 F N 1.299 121.247 119.950 -0.003 0.000 2.069 51 F HA -0.251 4.277 4.527 0.002 0.000 0.298 51 F C 2.230 178.033 175.800 0.005 0.000 1.113 51 F CA 1.283 59.283 58.000 0.001 0.000 1.214 51 F CB -0.300 38.697 39.000 -0.005 0.000 0.978 51 F HN -0.189 nan 8.300 nan 0.000 0.474 52 V N 0.501 120.604 119.914 0.316 0.000 2.453 52 V HA -0.260 3.861 4.120 0.002 0.000 0.247 52 V C 2.347 178.484 176.094 0.072 0.000 1.048 52 V CA 2.033 64.454 62.300 0.201 0.000 1.049 52 V CB -0.735 31.190 31.823 0.171 0.000 0.672 52 V HN 0.477 nan 8.190 nan 0.000 0.457 53 E N 0.799 121.031 120.200 0.054 0.000 2.085 53 E HA -0.305 4.046 4.350 0.002 0.000 0.194 53 E C 2.415 179.010 176.600 -0.008 0.000 0.994 53 E CA 1.728 58.141 56.400 0.022 0.000 0.801 53 E CB -0.146 29.568 29.700 0.024 0.000 0.743 53 E HN 0.536 nan 8.360 nan 0.000 0.453 54 R N 0.233 120.710 120.500 -0.038 0.000 2.081 54 R HA -0.114 4.227 4.340 0.002 0.000 0.235 54 R C 2.350 178.586 176.300 -0.107 0.000 1.131 54 R CA 1.455 57.503 56.100 -0.086 0.000 0.960 54 R CB -0.180 30.038 30.300 -0.137 0.000 0.856 54 R HN 0.119 nan 8.270 nan 0.000 0.436 55 V N 1.308 121.141 119.914 -0.136 0.000 2.332 55 V HA -0.263 3.858 4.120 0.002 0.000 0.248 55 V C 2.593 178.669 176.094 -0.030 0.000 1.055 55 V CA 2.238 64.482 62.300 -0.094 0.000 1.038 55 V CB -0.686 31.109 31.823 -0.047 0.000 0.651 55 V HN 0.428 nan 8.190 nan 0.000 0.450 56 R N 0.065 120.560 120.500 -0.009 0.000 2.070 56 R HA -0.221 4.120 4.340 0.002 0.000 0.233 56 R C 2.415 178.712 176.300 -0.004 0.000 1.137 56 R CA 2.194 58.296 56.100 0.003 0.000 0.945 56 R CB -0.323 29.984 30.300 0.012 0.000 0.845 56 R HN 0.637 nan 8.270 nan 0.000 0.430 57 E N -0.140 120.053 120.200 -0.011 0.000 2.051 57 E HA -0.196 4.155 4.350 0.002 0.000 0.192 57 E C 1.810 178.402 176.600 -0.013 0.000 0.991 57 E CA 1.221 57.615 56.400 -0.010 0.000 0.799 57 E CB 0.133 29.825 29.700 -0.013 0.000 0.748 57 E HN 0.332 nan 8.360 nan 0.000 0.449 58 E N 0.116 120.302 120.200 -0.023 0.000 2.077 58 E HA -0.181 4.170 4.350 0.002 0.000 0.193 58 E C 1.923 178.516 176.600 -0.011 0.000 0.989 58 E CA 1.036 57.424 56.400 -0.021 0.000 0.800 58 E CB -0.227 29.452 29.700 -0.034 0.000 0.746 58 E HN 0.335 nan 8.360 nan 0.000 0.452 59 A N 1.150 123.964 122.820 -0.009 0.000 1.898 59 A HA -0.091 4.230 4.320 0.002 0.000 0.216 59 A C 2.385 179.970 177.584 0.002 0.000 1.181 59 A CA 0.847 52.884 52.037 -0.000 0.000 0.620 59 A CB -0.665 18.338 19.000 0.005 0.000 0.819 59 A HN 0.160 nan 8.150 nan 0.000 0.442 60 L N -0.569 120.655 121.223 0.001 0.000 2.083 60 L HA -0.140 4.201 4.340 0.002 0.000 0.209 60 L C 2.712 179.582 176.870 0.001 0.000 1.083 60 L CA 1.048 55.889 54.840 0.002 0.000 0.752 60 L CB -0.699 41.362 42.059 0.002 0.000 0.899 60 L HN 0.499 nan 8.230 nan 0.000 0.433 61 G N -0.024 108.775 108.800 -0.001 0.000 2.471 61 G HA2 -0.184 3.777 3.960 0.002 0.000 0.219 61 G HA3 -0.184 3.777 3.960 0.002 0.000 0.219 61 G C 1.394 176.294 174.900 -0.000 0.000 1.125 61 G CA 0.228 45.327 45.100 -0.001 0.000 0.775 61 G HN 0.356 nan 8.290 nan 0.000 0.548 62 K N -0.034 120.367 120.400 0.000 0.000 2.446 62 K HA 0.214 4.535 4.320 0.002 0.000 0.203 62 K C 0.287 176.888 176.600 0.002 0.000 1.027 62 K CA -0.204 56.084 56.287 0.001 0.000 1.166 62 K CB 0.487 32.988 32.500 0.002 0.000 0.869 62 K HN 0.047 nan 8.250 nan 0.000 0.504 63 Q N -0.330 119.471 119.800 0.002 0.000 2.463 63 Q HA -0.166 4.175 4.340 0.002 0.000 0.299 63 Q C 0.770 176.772 176.000 0.004 0.000 1.353 63 Q CA 0.500 56.305 55.803 0.003 0.000 0.828 63 Q CB -2.387 26.352 28.738 0.002 0.000 1.157 63 Q HN 0.285 nan 8.270 nan 0.000 0.436 64 V N -0.654 119.263 119.914 0.005 0.000 2.594 64 V HA -0.170 3.951 4.120 0.002 0.000 0.253 64 V C 1.355 177.453 176.094 0.007 0.000 1.069 64 V CA 2.122 64.426 62.300 0.006 0.000 1.082 64 V CB -0.044 31.785 31.823 0.009 0.000 0.680 64 V HN 0.675 nan 8.190 nan 0.000 0.469 65 L N -0.481 120.746 121.223 0.006 0.000 2.492 65 L HA 0.061 4.402 4.340 0.002 0.000 0.223 65 L C 2.129 179.002 176.870 0.005 0.000 1.132 65 L CA 0.989 55.832 54.840 0.006 0.000 0.850 65 L CB -0.304 41.759 42.059 0.006 0.000 0.966 65 L HN 0.440 nan 8.230 nan 0.000 0.454 66 E N -1.026 119.177 120.200 0.004 0.000 2.460 66 E HA 0.034 4.385 4.350 0.002 0.000 0.200 66 E C 0.790 177.392 176.600 0.003 0.000 1.011 66 E CA -0.188 56.214 56.400 0.003 0.000 0.912 66 E CB 0.590 30.292 29.700 0.002 0.000 0.953 66 E HN 0.091 nan 8.360 nan 0.000 0.494 67 S N 0.758 116.460 115.700 0.003 0.000 2.549 67 S HA 0.089 4.560 4.470 0.002 0.000 0.283 67 S C 1.012 175.614 174.600 0.003 0.000 1.320 67 S CA -0.312 57.890 58.200 0.003 0.000 1.058 67 S CB 0.492 63.694 63.200 0.004 0.000 0.882 67 S HN 0.204 nan 8.310 nan 0.000 0.498 68 L N 3.590 124.814 121.223 0.002 0.000 2.478 68 L HA 0.094 4.435 4.340 0.002 0.000 0.223 68 L C 1.234 178.106 176.870 0.003 0.000 1.140 68 L CA 0.625 55.467 54.840 0.002 0.000 0.842 68 L CB -0.336 41.724 42.059 0.001 0.000 0.953 68 L HN 0.804 nan 8.230 nan 0.000 0.452 69 T N -4.516 110.040 114.554 0.003 0.000 3.585 69 T HA 0.265 4.616 4.350 0.002 0.000 0.252 69 T C -1.860 172.843 174.700 0.005 0.000 1.382 69 T CA -1.361 60.741 62.100 0.003 0.000 1.584 69 T CB 0.541 69.409 68.868 0.001 0.000 0.892 69 T HN -0.122 nan 8.240 nan 0.000 0.671 70 P HA -0.101 nan 4.420 nan 0.000 0.218 70 P C 1.790 179.099 177.300 0.014 0.000 1.148 70 P CA 1.140 64.246 63.100 0.010 0.000 0.822 70 P CB -0.039 31.668 31.700 0.011 0.000 0.784 71 A N 0.882 123.710 122.820 0.014 0.000 1.948 71 A HA -0.224 4.097 4.320 0.002 0.000 0.220 71 A C 2.195 179.790 177.584 0.018 0.000 1.177 71 A CA 1.750 53.798 52.037 0.018 0.000 0.636 71 A CB -0.938 18.071 19.000 0.016 0.000 0.815 71 A HN 0.130 nan 8.150 nan 0.000 0.449 72 E N -0.106 120.100 120.200 0.011 0.000 2.106 72 E HA -0.088 4.263 4.350 0.002 0.000 0.192 72 E C 2.185 178.790 176.600 0.008 0.000 0.984 72 E CA 1.279 57.682 56.400 0.006 0.000 0.806 72 E CB -0.897 28.801 29.700 -0.002 0.000 0.750 72 E HN 0.441 nan 8.360 nan 0.000 0.458 73 V N 1.851 121.771 119.914 0.010 0.000 2.407 73 V HA -0.214 3.907 4.120 0.002 0.000 0.248 73 V C 2.333 178.440 176.094 0.022 0.000 1.055 73 V CA 1.156 63.464 62.300 0.012 0.000 1.049 73 V CB -0.403 31.426 31.823 0.010 0.000 0.662 73 V HN 0.176 nan 8.190 nan 0.000 0.455 74 I N -0.352 120.234 120.570 0.028 0.000 2.252 74 I HA -0.157 4.014 4.170 0.002 0.000 0.245 74 I C 2.369 178.520 176.117 0.058 0.000 1.102 74 I CA 1.430 62.754 61.300 0.041 0.000 1.385 74 I CB -1.126 36.899 38.000 0.043 0.000 1.064 74 I HN 0.326 nan 8.210 nan 0.000 0.414 75 L N 1.556 122.810 121.223 0.053 0.000 2.012 75 L HA -0.140 4.201 4.340 0.002 0.000 0.210 75 L C 2.563 179.485 176.870 0.086 0.000 1.073 75 L CA 2.252 57.132 54.840 0.067 0.000 0.748 75 L CB -0.805 41.278 42.059 0.040 0.000 0.891 75 L HN 0.184 nan 8.230 nan 0.000 0.431 76 A N -1.340 121.512 122.820 0.054 0.000 1.930 76 A HA -0.200 4.121 4.320 0.002 0.000 0.217 76 A C 2.360 180.010 177.584 0.110 0.000 1.175 76 A CA 2.245 54.320 52.037 0.062 0.000 0.627 76 A CB -1.283 17.728 19.000 0.018 0.000 0.815 76 A HN 0.629 nan 8.150 nan 0.000 0.443 77 T N -3.030 111.562 114.554 0.063 0.000 2.942 77 T HA -0.038 4.313 4.350 0.002 0.000 0.265 77 T C 1.687 176.386 174.700 -0.001 0.000 1.062 77 T CA 1.281 63.395 62.100 0.024 0.000 1.139 77 T CB -0.610 68.254 68.868 -0.005 0.000 0.883 77 T HN 0.045 nan 8.240 nan 0.000 0.468 78 V N 0.802 120.752 119.914 0.060 0.000 2.343 78 V HA -0.114 4.007 4.120 0.002 0.000 0.247 78 V C 2.259 178.435 176.094 0.136 0.000 1.051 78 V CA 1.880 64.244 62.300 0.108 0.000 1.036 78 V CB -1.053 30.893 31.823 0.204 0.000 0.654 78 V HN 0.574 nan 8.190 nan 0.000 0.451 79 Y N 1.512 121.841 120.300 0.049 0.000 2.081 79 Y HA -0.328 4.223 4.550 0.002 0.000 0.280 79 Y C 2.575 178.487 175.900 0.020 0.000 1.163 79 Y CA 2.480 60.608 58.100 0.046 0.000 1.135 79 Y CB -0.205 38.271 38.460 0.026 0.000 0.970 79 Y HN 0.257 nan 8.280 nan 0.000 0.498 80 E N 0.182 120.405 120.200 0.039 0.000 2.150 80 E HA -0.113 4.238 4.350 0.002 0.000 0.193 80 E C 2.164 178.666 176.600 -0.164 0.000 0.985 80 E CA 1.219 57.584 56.400 -0.059 0.000 0.814 80 E CB -0.488 29.235 29.700 0.038 0.000 0.752 80 E HN 0.556 nan 8.360 nan 0.000 0.466 81 A N -0.124 122.554 122.820 -0.237 0.000 1.930 81 A HA -0.033 4.288 4.320 0.002 0.000 0.215 81 A C 2.194 179.642 177.584 -0.226 0.000 1.176 81 A CA 0.774 52.543 52.037 -0.447 0.000 0.632 81 A CB -0.501 17.870 19.000 -1.049 0.000 0.819 81 A HN 0.273 nan 8.150 nan 0.000 0.445 82 L N -0.392 120.845 121.223 0.024 0.000 1.994 82 L HA -0.226 4.115 4.340 0.002 0.000 0.208 82 L C 2.616 179.496 176.870 0.017 0.000 1.071 82 L CA 2.052 57.014 54.840 0.203 0.000 0.745 82 L CB -0.438 41.717 42.059 0.160 0.000 0.892 82 L HN 0.453 nan 8.230 nan 0.000 0.431 83 K N 0.321 120.614 120.400 -0.179 0.000 2.020 83 K HA -0.306 4.015 4.320 0.002 0.000 0.212 83 K C 2.081 178.652 176.600 -0.050 0.000 1.050 83 K CA 2.173 58.355 56.287 -0.175 0.000 0.929 83 K CB -0.060 32.262 32.500 -0.297 0.000 0.714 83 K HN 0.149 nan 8.250 nan 0.000 0.443 84 E N 0.325 120.495 120.200 -0.051 0.000 2.058 84 E HA -0.181 4.170 4.350 0.002 0.000 0.194 84 E C 1.680 178.303 176.600 0.039 0.000 0.997 84 E CA 1.769 58.162 56.400 -0.013 0.000 0.801 84 E CB -0.363 29.314 29.700 -0.039 0.000 0.746 84 E HN 0.406 nan 8.360 nan 0.000 0.450 85 A N 0.352 123.217 122.820 0.076 0.000 1.940 85 A HA -0.119 4.202 4.320 0.002 0.000 0.219 85 A C 2.244 179.903 177.584 0.126 0.000 1.176 85 A CA 1.468 53.583 52.037 0.129 0.000 0.631 85 A CB -0.656 18.478 19.000 0.223 0.000 0.814 85 A HN 0.370 nan 8.150 nan 0.000 0.446 86 L N -1.915 119.396 121.223 0.145 0.000 2.478 86 L HA 0.167 4.508 4.340 0.002 0.000 0.223 86 L C 1.649 178.652 176.870 0.220 0.000 1.140 86 L CA 0.695 55.668 54.840 0.222 0.000 0.842 86 L CB 0.028 42.256 42.059 0.282 0.000 0.953 86 L HN 0.604 nan 8.230 nan 0.000 0.452 87 G N -2.153 106.720 108.800 0.122 0.000 2.234 87 G HA2 0.033 3.994 3.960 0.002 0.000 0.153 87 G HA3 0.033 3.994 3.960 0.002 0.000 0.153 87 G C 0.734 175.664 174.900 0.051 0.000 1.013 87 G CA -0.332 44.818 45.100 0.084 0.000 0.712 87 G HN 0.467 nan 8.290 nan 0.000 0.491 88 G N 0.359 109.180 108.800 0.035 0.000 5.347 88 G HA2 -0.128 3.833 3.960 0.002 0.000 0.299 88 G HA3 -0.128 3.833 3.960 0.002 0.000 0.299 88 G C 0.290 175.197 174.900 0.011 0.000 1.492 88 G CA 1.370 46.477 45.100 0.012 0.000 0.991 88 G HN 1.786 nan 8.290 nan 0.000 0.749 89 E N 0.992 121.200 120.200 0.013 0.000 2.339 89 E HA 0.715 5.066 4.350 0.002 0.000 0.262 89 E C 0.018 176.602 176.600 -0.027 0.000 0.934 89 E CA -0.458 55.945 56.400 0.006 0.000 0.802 89 E CB 1.796 31.505 29.700 0.014 0.000 1.275 89 E HN 1.402 nan 8.360 nan 0.000 0.427 90 A N 1.291 124.047 122.820 -0.105 0.000 2.462 90 A HA 0.249 4.570 4.320 0.002 0.000 0.243 90 A C 0.033 177.538 177.584 -0.132 0.000 1.076 90 A CA -0.202 51.685 52.037 -0.249 0.000 0.773 90 A CB 0.015 18.567 19.000 -0.746 0.000 1.010 90 A HN 0.505 nan 8.150 nan 0.000 0.493 91 R N 2.869 123.325 120.500 -0.072 0.000 2.564 91 R HA 0.295 4.636 4.340 0.002 0.000 0.282 91 R C -1.206 175.114 176.300 0.032 0.000 1.573 91 R CA -0.209 55.892 56.100 0.001 0.000 1.588 91 R CB 0.537 30.869 30.300 0.054 0.000 1.154 91 R HN 0.689 nan 8.270 nan 0.000 0.606 92 L N 2.695 123.857 121.223 -0.102 0.000 2.399 92 L HA 0.420 4.761 4.340 0.002 0.000 0.266 92 L C -1.689 175.019 176.870 -0.270 0.000 1.114 92 L CA -2.120 52.582 54.840 -0.231 0.000 0.804 92 L CB 0.419 42.364 42.059 -0.190 0.000 1.146 92 L HN 0.087 nan 8.230 nan 0.000 0.451 93 P HA 0.052 nan 4.420 nan 0.000 0.268 93 P C -0.748 176.544 177.300 -0.015 0.000 1.204 93 P CA -0.132 62.736 63.100 -0.385 0.000 0.768 93 P CB 0.667 32.097 31.700 -0.451 0.000 0.842 94 V N 4.864 124.789 119.914 0.019 0.000 2.333 94 V HA 0.150 4.271 4.120 0.002 0.000 0.274 94 V C 0.519 176.680 176.094 0.111 0.000 1.028 94 V CA -0.514 61.830 62.300 0.073 0.000 0.851 94 V CB 0.717 32.568 31.823 0.046 0.000 1.000 94 V HN 0.361 nan 8.190 nan 0.000 0.456 95 L N 6.537 127.837 121.223 0.127 0.000 2.399 95 L HA 0.507 4.848 4.340 0.002 0.000 0.266 95 L C 0.620 177.522 176.870 0.054 0.000 1.114 95 L CA 0.363 55.260 54.840 0.094 0.000 0.804 95 L CB 0.843 42.908 42.059 0.009 0.000 1.146 95 L HN 0.701 nan 8.230 nan 0.000 0.451 96 K N 0.112 120.535 120.400 0.038 0.000 2.296 96 K HA 0.460 4.781 4.320 0.002 0.000 0.243 96 K C -0.245 176.355 176.600 0.001 0.000 1.082 96 K CA -0.778 55.523 56.287 0.024 0.000 0.929 96 K CB 0.382 32.901 32.500 0.031 0.000 1.353 96 K HN 0.225 nan 8.250 nan 0.000 0.536 97 D N 0.017 120.417 120.400 -0.000 0.000 2.144 97 D HA -0.041 4.600 4.640 0.002 0.000 0.199 97 D C 0.025 176.310 176.300 -0.024 0.000 0.984 97 D CA 1.336 55.329 54.000 -0.011 0.000 0.834 97 D CB 0.202 40.999 40.800 -0.005 0.000 0.955 97 D HN 0.193 nan 8.370 nan 0.000 0.465 98 R N 1.063 121.553 120.500 -0.017 0.000 2.561 98 R HA 0.426 4.767 4.340 0.002 0.000 0.297 98 R C -0.649 175.641 176.300 -0.016 0.000 0.969 98 R CA -0.491 55.594 56.100 -0.025 0.000 0.879 98 R CB 1.638 31.932 30.300 -0.010 0.000 1.178 98 R HN 0.040 nan 8.270 nan 0.000 0.445 99 N N 2.791 121.460 118.700 -0.053 0.000 2.260 99 N HA 0.427 5.168 4.740 0.002 0.000 0.293 99 N C -1.162 174.322 175.510 -0.044 0.000 1.058 99 N CA -0.651 52.378 53.050 -0.035 0.000 0.824 99 N CB 3.099 41.483 38.487 -0.171 0.000 1.551 99 N HN 0.321 nan 8.380 nan 0.000 0.475 100 L N 1.651 122.941 121.223 0.112 0.000 2.406 100 L HA 0.593 4.934 4.340 0.002 0.000 0.272 100 L C -1.701 175.434 176.870 0.441 0.000 0.980 100 L CA -0.586 54.354 54.840 0.166 0.000 0.831 100 L CB 1.180 43.327 42.059 0.146 0.000 1.253 100 L HN 0.456 nan 8.230 nan 0.000 0.406 101 W N 4.169 125.528 121.300 0.098 0.000 2.666 101 W HA 0.475 5.135 4.660 0.001 0.000 0.334 101 W C -0.624 176.092 176.519 0.328 0.000 1.051 101 W CA -1.254 56.177 57.345 0.143 0.000 1.224 101 W CB 1.170 30.687 29.460 0.095 0.000 1.405 101 W HN 0.249 nan 8.180 nan 0.000 0.513 102 F N 2.519 122.602 119.950 0.221 0.000 2.399 102 F HA 0.453 4.983 4.527 0.004 0.000 0.334 102 F C -0.028 175.840 175.800 0.112 0.000 1.097 102 F CA -1.144 56.936 58.000 0.133 0.000 1.076 102 F CB 1.137 40.187 39.000 0.082 0.000 1.162 102 F HN -0.273 nan 8.300 nan 0.000 0.495 103 L N 4.625 125.968 121.223 0.199 0.000 2.280 103 L HA 0.523 4.864 4.340 0.002 0.000 0.287 103 L C -0.332 176.548 176.870 0.016 0.000 1.023 103 L CA -0.545 54.352 54.840 0.095 0.000 0.819 103 L CB 1.432 43.532 42.059 0.069 0.000 1.212 103 L HN 0.341 nan 8.230 nan 0.000 0.420 104 V N 0.210 120.097 119.914 -0.045 0.000 3.074 104 V HA 1.143 5.264 4.120 0.002 0.000 0.314 104 V C 0.032 175.886 176.094 -0.400 0.000 1.117 104 V CA -0.119 62.089 62.300 -0.153 0.000 1.014 104 V CB 1.577 33.337 31.823 -0.105 0.000 1.057 104 V HN 0.929 nan 8.190 nan 0.000 0.438 105 G N 0.631 109.104 108.800 -0.545 0.000 2.369 105 G HA2 0.248 4.209 3.960 0.002 0.000 0.307 105 G HA3 0.248 4.209 3.960 0.002 0.000 0.307 105 G C -1.419 173.460 174.900 -0.035 0.000 1.327 105 G CA -0.714 44.082 45.100 -0.507 0.000 0.963 105 G HN 1.053 nan 8.290 nan 0.000 0.590 106 L N 0.827 122.078 121.223 0.047 0.000 2.439 106 L HA 0.352 4.693 4.340 0.002 0.000 0.269 106 L C 1.369 178.268 176.870 0.047 0.000 1.179 106 L CA -0.426 54.478 54.840 0.106 0.000 0.828 106 L CB 1.045 43.163 42.059 0.099 0.000 1.106 106 L HN 0.789 nan 8.230 nan 0.000 0.467 107 Q N 1.351 121.181 119.800 0.052 0.000 2.310 107 Q HA 0.044 4.385 4.340 0.002 0.000 0.315 107 Q C 0.980 176.992 176.000 0.021 0.000 1.081 107 Q CA 1.064 56.885 55.803 0.030 0.000 0.981 107 Q CB 0.330 29.085 28.738 0.028 0.000 1.184 107 Q HN 0.881 nan 8.270 nan 0.000 0.389 108 G N 2.029 110.837 108.800 0.013 0.000 2.157 108 G HA2 -0.326 3.635 3.960 0.002 0.000 0.248 108 G HA3 -0.326 3.635 3.960 0.002 0.000 0.248 108 G C 0.599 175.503 174.900 0.006 0.000 0.979 108 G CA 0.689 45.795 45.100 0.010 0.000 0.650 108 G HN 0.905 nan 8.290 nan 0.000 0.529 109 S N -0.849 114.851 115.700 0.001 0.000 2.486 109 S HA 0.455 4.926 4.470 0.002 0.000 0.220 109 S C 1.922 176.517 174.600 -0.007 0.000 1.011 109 S CA 1.374 59.570 58.200 -0.008 0.000 0.921 109 S CB 0.504 63.689 63.200 -0.025 0.000 0.785 109 S HN 2.312 nan 8.310 nan 0.000 0.517 110 G N 1.127 109.925 108.800 -0.004 0.000 2.147 110 G HA2 -0.153 3.808 3.960 0.002 0.000 0.128 110 G HA3 -0.153 3.808 3.960 0.002 0.000 0.128 110 G C 0.583 175.483 174.900 -0.001 0.000 1.026 110 G CA 0.108 45.209 45.100 0.001 0.000 0.693 110 G HN 0.420 nan 8.290 nan 0.000 0.499 111 K N -0.221 120.175 120.400 -0.007 0.000 2.026 111 K HA -0.053 4.268 4.320 0.002 0.000 0.208 111 K C 2.496 179.097 176.600 0.003 0.000 1.048 111 K CA 1.870 58.154 56.287 -0.006 0.000 0.929 111 K CB -0.259 32.231 32.500 -0.016 0.000 0.713 111 K HN 0.280 nan 8.250 nan 0.000 0.439 112 T N 0.725 115.279 114.554 0.000 0.000 2.821 112 T HA -0.088 4.263 4.350 0.002 0.000 0.267 112 T C 1.932 176.635 174.700 0.004 0.000 1.046 112 T CA 1.588 63.689 62.100 0.001 0.000 1.139 112 T CB -0.232 68.635 68.868 -0.001 0.000 0.871 112 T HN 0.268 nan 8.240 nan 0.000 0.454 113 T N 1.731 116.288 114.554 0.005 0.000 2.777 113 T HA -0.084 4.267 4.350 0.002 0.000 0.266 113 T C 2.295 176.997 174.700 0.004 0.000 1.040 113 T CA 1.471 63.574 62.100 0.005 0.000 1.141 113 T CB -0.606 68.266 68.868 0.007 0.000 0.868 113 T HN 0.372 nan 8.240 nan 0.000 0.444 114 T N 2.093 116.650 114.554 0.005 0.000 2.788 114 T HA -0.009 4.342 4.350 0.002 0.000 0.268 114 T C 2.412 177.116 174.700 0.006 0.000 1.044 114 T CA 1.062 63.162 62.100 0.000 0.000 1.139 114 T CB -0.548 68.327 68.868 0.011 0.000 0.867 114 T HN 0.420 nan 8.240 nan 0.000 0.454 115 A N 1.604 124.437 122.820 0.022 0.000 1.892 115 A HA 0.031 4.352 4.320 0.002 0.000 0.218 115 A C 2.640 180.235 177.584 0.019 0.000 1.188 115 A CA 2.049 54.106 52.037 0.033 0.000 0.631 115 A CB -1.151 17.865 19.000 0.026 0.000 0.822 115 A HN 0.527 nan 8.150 nan 0.000 0.447 116 A N -0.656 122.170 122.820 0.010 0.000 1.897 116 A HA -0.089 4.232 4.320 0.002 0.000 0.215 116 A C 2.090 179.680 177.584 0.009 0.000 1.181 116 A CA 1.655 53.697 52.037 0.008 0.000 0.620 116 A CB -0.402 18.601 19.000 0.006 0.000 0.821 116 A HN 0.538 nan 8.150 nan 0.000 0.443 117 K N -0.273 120.126 120.400 -0.001 0.000 2.020 117 K HA -0.151 4.170 4.320 0.002 0.000 0.212 117 K C 1.855 178.448 176.600 -0.013 0.000 1.050 117 K CA 1.740 58.019 56.287 -0.013 0.000 0.929 117 K CB -0.506 31.969 32.500 -0.042 0.000 0.714 117 K HN 0.468 nan 8.250 nan 0.000 0.443 118 L N 0.416 121.621 121.223 -0.030 0.000 2.042 118 L HA -0.224 4.117 4.340 0.002 0.000 0.210 118 L C 2.606 179.560 176.870 0.140 0.000 1.076 118 L CA 1.223 56.084 54.840 0.035 0.000 0.749 118 L CB -0.624 41.479 42.059 0.074 0.000 0.893 118 L HN 0.251 nan 8.230 nan 0.000 0.432 119 A N -0.046 122.814 122.820 0.067 0.000 1.883 119 A HA -0.236 4.085 4.320 0.002 0.000 0.217 119 A C 2.221 179.839 177.584 0.057 0.000 1.186 119 A CA 1.788 53.855 52.037 0.050 0.000 0.624 119 A CB -0.752 18.257 19.000 0.014 0.000 0.822 119 A HN 0.309 nan 8.150 nan 0.000 0.444 120 L N -1.737 119.513 121.223 0.045 0.000 2.046 120 L HA -0.144 4.197 4.340 0.002 0.000 0.208 120 L C 2.284 179.175 176.870 0.035 0.000 1.077 120 L CA 2.204 57.065 54.840 0.034 0.000 0.747 120 L CB -0.917 41.161 42.059 0.031 0.000 0.896 120 L HN 0.536 nan 8.230 nan 0.000 0.432 121 Y N -1.015 119.221 120.300 -0.107 0.000 2.097 121 Y HA -0.325 4.226 4.550 0.001 0.000 0.282 121 Y C 2.265 178.016 175.900 -0.248 0.000 1.152 121 Y CA 2.151 60.122 58.100 -0.215 0.000 1.136 121 Y CB -0.637 37.603 38.460 -0.367 0.000 0.975 121 Y HN 0.267 nan 8.280 nan 0.000 0.498 122 Y N 0.182 120.456 120.300 -0.044 0.000 2.337 122 Y HA -0.065 4.486 4.550 0.001 0.000 0.293 122 Y C 2.546 178.369 175.900 -0.127 0.000 1.123 122 Y CA 1.456 59.476 58.100 -0.133 0.000 1.201 122 Y CB -0.495 37.901 38.460 -0.108 0.000 1.011 122 Y HN 0.068 nan 8.280 nan 0.000 0.545 123 K N 0.187 120.605 120.400 0.030 0.000 2.074 123 K HA -0.163 4.158 4.320 0.002 0.000 0.209 123 K C 2.294 178.869 176.600 -0.042 0.000 1.048 123 K CA 1.592 57.876 56.287 -0.006 0.000 0.926 123 K CB -0.624 31.872 32.500 -0.007 0.000 0.713 123 K HN 0.381 nan 8.250 nan 0.000 0.444 124 G N 0.565 109.314 108.800 -0.085 0.000 2.471 124 G HA2 -0.174 3.787 3.960 0.002 0.000 0.219 124 G HA3 -0.174 3.787 3.960 0.002 0.000 0.219 124 G C 0.859 175.683 174.900 -0.127 0.000 1.125 124 G CA 0.369 45.407 45.100 -0.104 0.000 0.775 124 G HN 0.294 nan 8.290 nan 0.000 0.548 125 K N 0.184 120.487 120.400 -0.162 0.000 2.551 125 K HA 0.312 4.633 4.320 0.002 0.000 0.204 125 K C 1.501 178.077 176.600 -0.040 0.000 1.033 125 K CA 0.318 56.531 56.287 -0.123 0.000 1.187 125 K CB 0.229 32.618 32.500 -0.184 0.000 0.900 125 K HN 0.263 nan 8.250 nan 0.000 0.499 126 G N 1.312 110.092 108.800 -0.033 0.000 2.199 126 G HA2 -0.248 3.713 3.960 0.002 0.000 0.254 126 G HA3 -0.248 3.713 3.960 0.002 0.000 0.254 126 G C 0.150 175.044 174.900 -0.009 0.000 0.982 126 G CA -0.240 44.850 45.100 -0.017 0.000 0.632 126 G HN 0.150 nan 8.290 nan 0.000 0.529 127 R N 0.137 120.640 120.500 0.004 0.000 2.637 127 R HA 0.526 4.867 4.340 0.002 0.000 0.269 127 R C 0.557 176.843 176.300 -0.023 0.000 1.089 127 R CA -0.259 55.833 56.100 -0.012 0.000 1.177 127 R CB 0.191 30.486 30.300 -0.007 0.000 1.091 127 R HN 0.405 nan 8.270 nan 0.000 0.540 128 R N 1.663 122.138 120.500 -0.042 0.000 2.402 128 R HA 0.315 4.656 4.340 0.002 0.000 0.290 128 R C -2.285 173.982 176.300 -0.056 0.000 1.321 128 R CA -1.670 54.407 56.100 -0.039 0.000 1.283 128 R CB 1.253 31.534 30.300 -0.032 0.000 1.111 128 R HN 0.317 nan 8.270 nan 0.000 0.578 129 P HA 0.123 nan 4.420 nan 0.000 0.274 129 P C -1.145 176.122 177.300 -0.055 0.000 1.237 129 P CA -0.596 62.458 63.100 -0.075 0.000 0.793 129 P CB 0.776 32.444 31.700 -0.053 0.000 0.977 130 L N 2.201 123.388 121.223 -0.060 0.000 2.439 130 L HA 0.440 4.780 4.340 0.002 0.000 0.270 130 L C -1.532 175.319 176.870 -0.031 0.000 0.972 130 L CA -0.426 54.392 54.840 -0.037 0.000 0.836 130 L CB 1.078 43.119 42.059 -0.030 0.000 1.255 130 L HN 0.151 nan 8.230 nan 0.000 0.404 131 L N 5.361 126.572 121.223 -0.020 0.000 2.350 131 L HA 0.618 4.959 4.340 0.002 0.000 0.275 131 L C -0.618 176.246 176.870 -0.010 0.000 1.099 131 L CA -0.748 54.084 54.840 -0.012 0.000 0.808 131 L CB 1.646 43.700 42.059 -0.008 0.000 1.149 131 L HN 0.382 nan 8.230 nan 0.000 0.442 132 V N 2.467 122.375 119.914 -0.010 0.000 2.444 132 V HA 0.471 4.592 4.120 0.002 0.000 0.294 132 V C 0.193 176.271 176.094 -0.026 0.000 1.022 132 V CA -0.656 61.635 62.300 -0.015 0.000 0.850 132 V CB 1.579 33.395 31.823 -0.012 0.000 0.992 132 V HN 0.828 nan 8.190 nan 0.000 0.426 133 A N 3.813 126.619 122.820 -0.023 0.000 2.621 133 A HA 0.705 5.025 4.320 0.002 0.000 0.329 133 A C 0.947 178.510 177.584 -0.034 0.000 1.458 133 A CA 0.252 52.273 52.037 -0.026 0.000 1.052 133 A CB 0.412 19.402 19.000 -0.017 0.000 1.142 133 A HN 1.223 nan 8.150 nan 0.000 0.523 134 A N 1.875 124.663 122.820 -0.054 0.000 2.430 134 A HA 0.269 4.590 4.320 0.002 0.000 0.243 134 A C 0.504 178.055 177.584 -0.054 0.000 1.254 134 A CA 0.056 52.055 52.037 -0.063 0.000 0.914 134 A CB 0.021 18.956 19.000 -0.109 0.000 0.998 134 A HN 0.601 nan 8.150 nan 0.000 0.515 135 D N 1.136 121.511 120.400 -0.042 0.000 2.393 135 D HA 0.188 4.829 4.640 0.002 0.000 0.232 135 D C 1.259 177.549 176.300 -0.017 0.000 1.192 135 D CA 0.771 54.755 54.000 -0.027 0.000 0.882 135 D CB 0.986 41.773 40.800 -0.022 0.000 1.038 135 D HN 0.230 nan 8.370 nan 0.000 0.499 136 T N 0.187 114.733 114.554 -0.013 0.000 3.060 136 T HA -0.007 4.344 4.350 0.002 0.000 0.249 136 T C 1.349 176.047 174.700 -0.004 0.000 1.079 136 T CA 0.235 62.330 62.100 -0.008 0.000 1.013 136 T CB 0.335 69.199 68.868 -0.007 0.000 0.975 136 T HN 0.384 nan 8.240 nan 0.000 0.518 137 Q N 0.809 120.607 119.800 -0.003 0.000 2.084 137 Q HA 0.144 4.485 4.340 0.002 0.000 0.194 137 Q C 0.391 176.392 176.000 0.001 0.000 0.969 137 Q CA -0.115 55.688 55.803 0.001 0.000 0.829 137 Q CB 0.291 29.031 28.738 0.003 0.000 0.904 137 Q HN 0.140 nan 8.270 nan 0.000 0.464 138 R N 2.542 123.043 120.500 0.002 0.000 2.526 138 R HA -0.015 4.325 4.340 0.002 0.000 0.319 138 R C -2.333 173.968 176.300 0.001 0.000 0.888 138 R CA -0.611 55.490 56.100 0.002 0.000 1.127 138 R CB -0.688 29.613 30.300 0.002 0.000 0.888 138 R HN 0.304 nan 8.270 nan 0.000 0.410 139 P HA -0.104 nan 4.420 nan 0.000 0.260 139 P C 0.209 177.509 177.300 0.001 0.000 1.172 139 P CA 0.925 64.026 63.100 0.001 0.000 0.760 139 P CB 0.465 32.167 31.700 0.002 0.000 0.773 140 A N 3.478 126.298 122.820 -0.000 0.000 2.910 140 A HA -0.296 4.025 4.320 0.002 0.000 0.267 140 A C 1.970 179.553 177.584 -0.001 0.000 1.310 140 A CA 1.543 53.580 52.037 -0.001 0.000 0.934 140 A CB -2.298 16.702 19.000 0.000 0.000 1.057 140 A HN 0.592 nan 8.150 nan 0.000 0.742 141 A N -0.552 122.267 122.820 -0.002 0.000 1.903 141 A HA -0.245 4.076 4.320 0.002 0.000 0.219 141 A C 2.045 179.626 177.584 -0.005 0.000 1.191 141 A CA 2.152 54.187 52.037 -0.004 0.000 0.638 141 A CB -0.500 18.497 19.000 -0.006 0.000 0.823 141 A HN 0.800 nan 8.150 nan 0.000 0.451 142 R N -0.854 119.643 120.500 -0.006 0.000 2.092 142 R HA -0.079 4.262 4.340 0.002 0.000 0.231 142 R C 2.086 178.383 176.300 -0.005 0.000 1.119 142 R CA 1.454 57.550 56.100 -0.007 0.000 0.970 142 R CB -0.263 30.033 30.300 -0.007 0.000 0.864 142 R HN 0.572 nan 8.270 nan 0.000 0.440 143 E N 0.594 120.792 120.200 -0.003 0.000 2.106 143 E HA -0.209 4.142 4.350 0.002 0.000 0.192 143 E C 1.862 178.461 176.600 -0.002 0.000 0.984 143 E CA 1.004 57.403 56.400 -0.002 0.000 0.806 143 E CB -0.042 29.657 29.700 -0.001 0.000 0.750 143 E HN 0.319 nan 8.360 nan 0.000 0.458 144 Q N 0.068 119.867 119.800 -0.002 0.000 2.046 144 Q HA -0.156 4.185 4.340 0.002 0.000 0.200 144 Q C 1.975 177.975 176.000 -0.001 0.000 0.975 144 Q CA 1.073 56.876 55.803 -0.001 0.000 0.836 144 Q CB -0.066 28.672 28.738 -0.000 0.000 0.896 144 Q HN 0.301 nan 8.270 nan 0.000 0.428 145 L N 1.002 122.223 121.223 -0.003 0.000 2.240 145 L HA -0.048 4.293 4.340 0.002 0.000 0.211 145 L C 2.389 179.258 176.870 -0.003 0.000 1.106 145 L CA 1.486 56.324 54.840 -0.003 0.000 0.793 145 L CB -0.615 41.440 42.059 -0.006 0.000 0.927 145 L HN 0.171 nan 8.230 nan 0.000 0.446 146 R N -0.660 119.838 120.500 -0.003 0.000 2.083 146 R HA -0.156 4.185 4.340 0.002 0.000 0.237 146 R C 2.210 178.509 176.300 -0.002 0.000 1.137 146 R CA 1.858 57.956 56.100 -0.003 0.000 0.951 146 R CB -0.341 29.957 30.300 -0.003 0.000 0.851 146 R HN 0.420 nan 8.270 nan 0.000 0.434 147 L N 0.636 121.858 121.223 -0.001 0.000 2.027 147 L HA -0.172 4.169 4.340 0.002 0.000 0.206 147 L C 2.542 179.412 176.870 0.000 0.000 1.074 147 L CA 1.063 55.903 54.840 -0.000 0.000 0.745 147 L CB -0.361 41.698 42.059 0.001 0.000 0.898 147 L HN 0.306 nan 8.230 nan 0.000 0.433 148 L N -0.533 120.691 121.223 0.001 0.000 2.083 148 L HA -0.162 4.179 4.340 0.002 0.000 0.209 148 L C 2.641 179.512 176.870 0.001 0.000 1.083 148 L CA 1.333 56.174 54.840 0.002 0.000 0.752 148 L CB -1.066 40.994 42.059 0.002 0.000 0.899 148 L HN 0.325 nan 8.230 nan 0.000 0.433 149 G N -0.474 108.326 108.800 -0.000 0.000 2.446 149 G HA2 -0.286 3.675 3.960 0.002 0.000 0.217 149 G HA3 -0.286 3.675 3.960 0.002 0.000 0.217 149 G C 1.409 176.308 174.900 -0.002 0.000 1.168 149 G CA 0.772 45.871 45.100 -0.002 0.000 0.771 149 G HN 0.384 nan 8.290 nan 0.000 0.551 150 E N -0.172 120.028 120.200 -0.001 0.000 2.085 150 E HA -0.138 4.213 4.350 0.002 0.000 0.194 150 E C 2.506 179.106 176.600 -0.000 0.000 0.994 150 E CA 0.891 57.290 56.400 -0.001 0.000 0.801 150 E CB -0.035 29.664 29.700 -0.001 0.000 0.743 150 E HN 0.159 nan 8.360 nan 0.000 0.453 151 K N 0.683 121.083 120.400 0.001 0.000 2.063 151 K HA -0.127 4.194 4.320 0.002 0.000 0.208 151 K C 1.998 178.599 176.600 0.002 0.000 1.048 151 K CA 1.568 57.856 56.287 0.002 0.000 0.928 151 K CB -0.087 32.414 32.500 0.003 0.000 0.713 151 K HN 0.235 nan 8.250 nan 0.000 0.442 152 V N -3.443 116.472 119.914 0.002 0.000 3.647 152 V HA 0.329 4.450 4.120 0.002 0.000 0.279 152 V C 0.806 176.900 176.094 -0.000 0.000 1.314 152 V CA 0.549 62.850 62.300 0.003 0.000 1.125 152 V CB -0.150 31.677 31.823 0.006 0.000 0.907 152 V HN 0.320 nan 8.190 nan 0.000 0.434 153 G N 0.195 108.994 108.800 -0.002 0.000 2.248 153 G HA2 -0.142 3.819 3.960 0.002 0.000 0.263 153 G HA3 -0.142 3.819 3.960 0.002 0.000 0.263 153 G C -0.284 174.613 174.900 -0.005 0.000 1.082 153 G CA 0.170 45.267 45.100 -0.004 0.000 0.863 153 G HN 1.039 nan 8.290 nan 0.000 0.495 154 V N 1.131 121.042 119.914 -0.005 0.000 2.638 154 V HA 0.607 4.728 4.120 0.002 0.000 0.306 154 V C -1.840 174.249 176.094 -0.009 0.000 1.052 154 V CA -1.596 60.699 62.300 -0.008 0.000 0.885 154 V CB 2.525 34.343 31.823 -0.007 0.000 0.999 154 V HN 0.226 nan 8.190 nan 0.000 0.424 155 P HA 0.273 nan 4.420 nan 0.000 0.272 155 P C -1.018 176.276 177.300 -0.010 0.000 1.223 155 P CA -0.047 63.047 63.100 -0.010 0.000 0.784 155 P CB 1.035 32.729 31.700 -0.011 0.000 0.923 156 V N 3.475 123.385 119.914 -0.008 0.000 2.525 156 V HA 0.314 4.435 4.120 0.002 0.000 0.299 156 V C 0.076 176.166 176.094 -0.007 0.000 1.034 156 V CA -0.717 61.578 62.300 -0.008 0.000 0.863 156 V CB 1.675 33.494 31.823 -0.007 0.000 0.999 156 V HN 0.460 nan 8.190 nan 0.000 0.423 157 L N 4.664 125.883 121.223 -0.007 0.000 2.295 157 L HA 0.655 4.996 4.340 0.002 0.000 0.285 157 L C -0.146 176.720 176.870 -0.008 0.000 1.035 157 L CA -0.042 54.794 54.840 -0.006 0.000 0.806 157 L CB 1.259 43.315 42.059 -0.004 0.000 1.214 157 L HN 0.686 nan 8.230 nan 0.000 0.426 158 E N 4.657 124.853 120.200 -0.007 0.000 2.171 158 E HA 0.327 4.678 4.350 0.002 0.000 0.271 158 E C -0.676 175.919 176.600 -0.007 0.000 0.916 158 E CA -0.831 55.564 56.400 -0.008 0.000 0.774 158 E CB 2.414 32.110 29.700 -0.007 0.000 1.128 158 E HN 0.559 nan 8.360 nan 0.000 0.403 159 V N 1.442 121.350 119.914 -0.011 0.000 2.775 159 V HA 0.341 4.462 4.120 0.002 0.000 0.299 159 V C -0.047 176.043 176.094 -0.006 0.000 1.062 159 V CA -0.478 61.817 62.300 -0.008 0.000 1.063 159 V CB 0.667 32.482 31.823 -0.013 0.000 0.994 159 V HN 0.660 nan 8.190 nan 0.000 0.483 160 M N 2.689 122.287 119.600 -0.003 0.000 2.368 160 M HA 0.413 4.894 4.480 0.002 0.000 0.311 160 M C 0.014 176.313 176.300 -0.002 0.000 1.168 160 M CA -0.580 54.718 55.300 -0.002 0.000 1.044 160 M CB 0.570 33.169 32.600 -0.000 0.000 1.506 160 M HN 0.685 nan 8.290 nan 0.000 0.475 161 D N 1.049 121.448 120.400 -0.001 0.000 2.472 161 D HA 0.104 4.745 4.640 0.002 0.000 0.237 161 D C 1.142 177.442 176.300 0.001 0.000 1.141 161 D CA 1.301 55.301 54.000 -0.001 0.000 0.875 161 D CB 0.576 41.375 40.800 -0.000 0.000 1.192 161 D HN 0.921 nan 8.370 nan 0.000 0.450 162 G N 1.988 110.788 108.800 0.001 0.000 2.205 162 G HA2 -0.371 3.590 3.960 0.002 0.000 0.269 162 G HA3 -0.371 3.590 3.960 0.002 0.000 0.269 162 G C 0.432 175.335 174.900 0.004 0.000 0.977 162 G CA 0.876 45.978 45.100 0.003 0.000 0.652 162 G HN 0.659 nan 8.290 nan 0.000 0.539 163 E N 1.242 121.444 120.200 0.003 0.000 2.414 163 E HA 0.414 4.765 4.350 0.002 0.000 0.263 163 E C 1.187 177.792 176.600 0.009 0.000 1.000 163 E CA 0.289 56.693 56.400 0.005 0.000 0.914 163 E CB 0.288 29.990 29.700 0.004 0.000 0.948 163 E HN 0.570 nan 8.360 nan 0.000 0.444 164 S N 4.162 119.869 115.700 0.012 0.000 2.603 164 S HA 0.221 4.692 4.470 0.002 0.000 0.268 164 S C -1.626 172.987 174.600 0.022 0.000 1.317 164 S CA -1.106 57.103 58.200 0.016 0.000 1.012 164 S CB 1.278 64.488 63.200 0.016 0.000 0.926 164 S HN 0.477 nan 8.310 nan 0.000 0.539 165 P HA -0.119 nan 4.420 nan 0.000 0.218 165 P C 1.058 178.384 177.300 0.043 0.000 1.148 165 P CA 1.222 64.348 63.100 0.044 0.000 0.822 165 P CB 0.027 31.761 31.700 0.057 0.000 0.784 166 E N -0.257 119.964 120.200 0.034 0.000 2.152 166 E HA -0.084 4.267 4.350 0.002 0.000 0.192 166 E C 2.190 178.806 176.600 0.026 0.000 0.983 166 E CA 0.849 57.268 56.400 0.031 0.000 0.818 166 E CB -0.642 29.073 29.700 0.025 0.000 0.758 166 E HN 0.239 nan 8.360 nan 0.000 0.467 167 S N 0.761 116.474 115.700 0.022 0.000 2.368 167 S HA -0.083 4.388 4.470 0.002 0.000 0.224 167 S C 2.119 176.730 174.600 0.019 0.000 1.029 167 S CA 0.492 58.703 58.200 0.018 0.000 0.988 167 S CB -0.139 63.069 63.200 0.013 0.000 0.838 167 S HN 0.132 nan 8.310 nan 0.000 0.462 168 I N 1.426 122.010 120.570 0.022 0.000 2.163 168 I HA -0.207 3.964 4.170 0.002 0.000 0.243 168 I C 2.832 178.969 176.117 0.033 0.000 1.085 168 I CA 1.624 62.938 61.300 0.024 0.000 1.347 168 I CB -0.381 37.633 38.000 0.024 0.000 1.044 168 I HN 0.321 nan 8.210 nan 0.000 0.408 169 R N 1.028 121.553 120.500 0.043 0.000 2.083 169 R HA -0.196 4.145 4.340 0.002 0.000 0.237 169 R C 2.497 178.817 176.300 0.034 0.000 1.137 169 R CA 1.689 57.818 56.100 0.048 0.000 0.951 169 R CB -0.154 30.176 30.300 0.051 0.000 0.851 169 R HN 0.280 nan 8.270 nan 0.000 0.434 170 R N -0.286 120.229 120.500 0.026 0.000 2.081 170 R HA -0.069 4.272 4.340 0.002 0.000 0.235 170 R C 2.523 178.833 176.300 0.016 0.000 1.131 170 R CA 1.556 57.668 56.100 0.020 0.000 0.960 170 R CB -0.186 30.123 30.300 0.016 0.000 0.856 170 R HN 0.274 nan 8.270 nan 0.000 0.436 171 R N 0.073 120.582 120.500 0.016 0.000 2.075 171 R HA -0.056 4.285 4.340 0.002 0.000 0.232 171 R C 2.305 178.612 176.300 0.012 0.000 1.126 171 R CA 1.192 57.299 56.100 0.012 0.000 0.963 171 R CB -0.347 29.959 30.300 0.010 0.000 0.858 171 R HN 0.085 nan 8.270 nan 0.000 0.435 172 V N 1.511 121.435 119.914 0.018 0.000 2.307 172 V HA -0.215 3.906 4.120 0.002 0.000 0.245 172 V C 2.116 178.220 176.094 0.016 0.000 1.045 172 V CA 1.763 64.074 62.300 0.019 0.000 1.024 172 V CB -0.436 31.406 31.823 0.031 0.000 0.651 172 V HN 0.340 nan 8.190 nan 0.000 0.449 173 E N -0.197 120.015 120.200 0.020 0.000 2.077 173 E HA -0.277 4.074 4.350 0.002 0.000 0.193 173 E C 2.252 178.858 176.600 0.009 0.000 0.989 173 E CA 1.427 57.837 56.400 0.016 0.000 0.800 173 E CB -0.117 29.595 29.700 0.020 0.000 0.746 173 E HN 0.723 nan 8.360 nan 0.000 0.452 174 E N 1.579 121.784 120.200 0.009 0.000 2.031 174 E HA -0.264 4.087 4.350 0.002 0.000 0.193 174 E C 2.130 178.731 176.600 0.002 0.000 0.994 174 E CA 1.336 57.739 56.400 0.005 0.000 0.800 174 E CB 0.012 29.716 29.700 0.006 0.000 0.752 174 E HN 0.014 nan 8.360 nan 0.000 0.447 175 K N -0.023 120.378 120.400 0.002 0.000 2.063 175 K HA -0.151 4.170 4.320 0.002 0.000 0.208 175 K C 2.033 178.630 176.600 -0.004 0.000 1.048 175 K CA 1.343 57.629 56.287 -0.001 0.000 0.928 175 K CB -0.225 32.274 32.500 -0.001 0.000 0.713 175 K HN 0.197 nan 8.250 nan 0.000 0.442 176 A N 1.018 123.835 122.820 -0.004 0.000 2.015 176 A HA -0.124 4.197 4.320 0.002 0.000 0.219 176 A C 2.096 179.675 177.584 -0.009 0.000 1.163 176 A CA 1.187 53.218 52.037 -0.010 0.000 0.646 176 A CB -0.401 18.593 19.000 -0.010 0.000 0.806 176 A HN 0.321 nan 8.150 nan 0.000 0.448 177 R N -0.494 120.003 120.500 -0.005 0.000 2.062 177 R HA 0.059 4.400 4.340 0.002 0.000 0.226 177 R C 1.979 178.276 176.300 -0.005 0.000 1.125 177 R CA 1.078 57.176 56.100 -0.004 0.000 0.966 177 R CB -0.337 29.963 30.300 -0.001 0.000 0.861 177 R HN 0.505 nan 8.270 nan 0.000 0.433 178 L N 0.713 121.934 121.223 -0.004 0.000 2.012 178 L HA -0.176 4.165 4.340 0.002 0.000 0.210 178 L C 1.615 178.482 176.870 -0.006 0.000 1.073 178 L CA 1.643 56.480 54.840 -0.004 0.000 0.748 178 L CB -0.285 41.773 42.059 -0.003 0.000 0.891 178 L HN 0.248 nan 8.230 nan 0.000 0.431 179 E N -0.078 120.117 120.200 -0.008 0.000 2.465 179 E HA 0.212 4.563 4.350 0.002 0.000 0.191 179 E C 0.784 177.376 176.600 -0.013 0.000 1.053 179 E CA 0.421 56.815 56.400 -0.010 0.000 0.869 179 E CB 0.239 29.932 29.700 -0.010 0.000 0.977 179 E HN 0.405 nan 8.360 nan 0.000 0.483 180 A N 2.299 125.111 122.820 -0.013 0.000 2.745 180 A HA -0.218 4.103 4.320 0.002 0.000 0.296 180 A C -0.154 177.415 177.584 -0.024 0.000 1.500 180 A CA 0.588 52.615 52.037 -0.017 0.000 0.766 180 A CB -1.189 17.802 19.000 -0.015 0.000 1.030 180 A HN 0.148 nan 8.150 nan 0.000 0.489 181 R N 0.539 121.023 120.500 -0.027 0.000 2.210 181 R HA 0.295 4.636 4.340 0.002 0.000 0.338 181 R C 0.538 176.806 176.300 -0.053 0.000 1.062 181 R CA 0.051 56.127 56.100 -0.040 0.000 0.902 181 R CB 0.570 30.848 30.300 -0.036 0.000 1.050 181 R HN 0.672 nan 8.270 nan 0.000 0.461 182 D N 1.624 121.982 120.400 -0.069 0.000 2.349 182 D HA 0.002 4.643 4.640 0.002 0.000 0.214 182 D C 0.058 176.268 176.300 -0.150 0.000 1.063 182 D CA -0.138 53.811 54.000 -0.086 0.000 0.847 182 D CB 0.244 41.002 40.800 -0.069 0.000 0.933 182 D HN 0.187 nan 8.370 nan 0.000 0.513 183 L N 0.801 121.911 121.223 -0.188 0.000 2.446 183 L HA 0.464 4.805 4.340 0.002 0.000 0.268 183 L C -1.582 175.148 176.870 -0.235 0.000 0.975 183 L CA -0.795 53.855 54.840 -0.318 0.000 0.848 183 L CB 1.613 43.389 42.059 -0.471 0.000 1.225 183 L HN -0.125 nan 8.230 nan 0.000 0.410 184 I N 5.917 126.375 120.570 -0.187 0.000 2.336 184 I HA 0.391 4.562 4.170 0.002 0.000 0.292 184 I C -0.672 175.415 176.117 -0.050 0.000 0.991 184 I CA -0.283 60.968 61.300 -0.081 0.000 1.227 184 I CB 1.260 39.256 38.000 -0.008 0.000 1.366 184 I HN 0.444 nan 8.210 nan 0.000 0.466 185 L N 7.315 128.526 121.223 -0.020 0.000 2.316 185 L HA 0.501 4.842 4.340 0.002 0.000 0.280 185 L C -0.802 176.104 176.870 0.059 0.000 1.006 185 L CA -0.801 54.067 54.840 0.046 0.000 0.836 185 L CB 1.638 43.700 42.059 0.005 0.000 1.221 185 L HN 0.277 nan 8.230 nan 0.000 0.418 186 V N 1.487 121.458 119.914 0.096 0.000 2.328 186 V HA 0.211 4.332 4.120 0.002 0.000 0.278 186 V C -0.265 175.785 176.094 -0.075 0.000 1.021 186 V CA -0.541 61.747 62.300 -0.021 0.000 0.838 186 V CB 1.588 33.345 31.823 -0.110 0.000 0.999 186 V HN 0.585 nan 8.190 nan 0.000 0.447 187 D N 4.283 124.643 120.400 -0.068 0.000 2.316 187 D HA 0.406 5.047 4.640 0.002 0.000 0.245 187 D C 0.367 176.605 176.300 -0.104 0.000 1.171 187 D CA 0.041 54.006 54.000 -0.059 0.000 0.856 187 D CB 1.364 42.147 40.800 -0.029 0.000 1.090 187 D HN 0.718 nan 8.370 nan 0.000 0.476 188 T N 0.479 114.965 114.554 -0.114 0.000 2.948 188 T HA 0.779 5.130 4.350 0.002 0.000 0.285 188 T C 0.386 175.059 174.700 -0.045 0.000 1.019 188 T CA -0.928 61.099 62.100 -0.122 0.000 1.013 188 T CB 1.377 70.143 68.868 -0.169 0.000 1.117 188 T HN 0.387 nan 8.240 nan 0.000 0.533 189 A N 0.046 122.850 122.820 -0.027 0.000 2.406 189 A HA 0.699 5.020 4.320 0.002 0.000 0.243 189 A C 0.751 178.363 177.584 0.046 0.000 1.082 189 A CA 0.088 52.129 52.037 0.007 0.000 0.786 189 A CB -0.604 18.400 19.000 0.007 0.000 1.029 189 A HN 1.743 nan 8.150 nan 0.000 0.495 190 G N 0.433 109.264 108.800 0.051 0.000 2.616 190 G HA2 0.541 4.502 3.960 0.002 0.000 0.294 190 G HA3 0.541 4.502 3.960 0.002 0.000 0.294 190 G C -1.050 173.886 174.900 0.061 0.000 1.489 190 G CA -0.830 44.322 45.100 0.087 0.000 0.836 190 G HN 0.688 nan 8.290 nan 0.000 0.527 191 R N 0.274 120.815 120.500 0.068 0.000 3.006 191 R HA 0.555 4.896 4.340 0.002 0.000 0.235 191 R C 1.165 177.494 176.300 0.049 0.000 1.362 191 R CA -0.981 55.145 56.100 0.044 0.000 1.067 191 R CB 0.887 31.205 30.300 0.030 0.000 1.396 191 R HN 0.392 nan 8.270 nan 0.000 0.504 192 L N 0.611 121.854 121.223 0.033 0.000 2.313 192 L HA -0.041 4.300 4.340 0.002 0.000 0.214 192 L C 0.752 177.643 176.870 0.035 0.000 1.119 192 L CA 1.376 56.234 54.840 0.032 0.000 0.809 192 L CB -0.026 42.045 42.059 0.020 0.000 0.933 192 L HN 0.327 nan 8.230 nan 0.000 0.449 193 Q N -0.879 118.939 119.800 0.030 0.000 2.633 193 Q HA 0.411 4.752 4.340 0.002 0.000 0.292 193 Q C -0.674 175.338 176.000 0.020 0.000 1.089 193 Q CA -1.190 54.628 55.803 0.026 0.000 0.811 193 Q CB 2.248 30.991 28.738 0.009 0.000 1.472 193 Q HN -0.116 nan 8.270 nan 0.000 0.464 194 I N 1.443 122.010 120.570 -0.006 0.000 2.588 194 I HA 0.049 4.220 4.170 0.002 0.000 0.283 194 I C -0.336 175.744 176.117 -0.062 0.000 1.119 194 I CA 0.453 61.712 61.300 -0.068 0.000 1.419 194 I CB 0.251 38.170 38.000 -0.135 0.000 1.394 194 I HN 0.666 nan 8.210 nan 0.000 0.562 195 D N 4.137 124.493 120.400 -0.073 0.000 2.505 195 D HA 0.189 4.830 4.640 0.002 0.000 0.250 195 D C 0.822 177.083 176.300 -0.065 0.000 1.164 195 D CA -0.358 53.612 54.000 -0.050 0.000 0.870 195 D CB 1.352 42.138 40.800 -0.024 0.000 1.160 195 D HN 0.427 nan 8.370 nan 0.000 0.549 196 E N 3.833 123.998 120.200 -0.058 0.000 2.058 196 E HA -0.071 4.280 4.350 0.002 0.000 0.194 196 E C -1.009 175.564 176.600 -0.045 0.000 0.997 196 E CA 1.449 57.813 56.400 -0.060 0.000 0.801 196 E CB -0.780 28.891 29.700 -0.048 0.000 0.746 196 E HN 0.439 nan 8.360 nan 0.000 0.450 197 P HA -0.159 nan 4.420 nan 0.000 0.216 197 P C 1.696 178.986 177.300 -0.016 0.000 1.153 197 P CA 1.182 64.271 63.100 -0.019 0.000 0.858 197 P CB -0.122 31.571 31.700 -0.013 0.000 0.789 198 L N -2.195 119.016 121.223 -0.019 0.000 2.156 198 L HA -0.074 4.267 4.340 0.002 0.000 0.208 198 L C 2.251 179.115 176.870 -0.010 0.000 1.095 198 L CA 1.195 56.031 54.840 -0.007 0.000 0.770 198 L CB -0.418 41.640 42.059 -0.001 0.000 0.914 198 L HN -0.090 nan 8.230 nan 0.000 0.439 199 M N -0.584 118.986 119.600 -0.050 0.000 2.159 199 M HA -0.139 4.342 4.480 0.002 0.000 0.263 199 M C 2.226 178.512 176.300 -0.022 0.000 1.063 199 M CA 1.669 56.925 55.300 -0.074 0.000 1.110 199 M CB -1.475 31.026 32.600 -0.164 0.000 1.374 199 M HN 0.427 nan 8.290 nan 0.000 0.411 200 G N -0.393 108.395 108.800 -0.019 0.000 2.440 200 G HA2 -0.254 3.707 3.960 0.002 0.000 0.218 200 G HA3 -0.254 3.707 3.960 0.002 0.000 0.218 200 G C 1.466 176.378 174.900 0.020 0.000 1.154 200 G CA 1.041 46.140 45.100 -0.001 0.000 0.767 200 G HN 0.535 nan 8.290 nan 0.000 0.552 201 E N -0.581 119.631 120.200 0.020 0.000 2.110 201 E HA -0.091 4.260 4.350 0.002 0.000 0.193 201 E C 2.363 178.999 176.600 0.060 0.000 0.988 201 E CA 0.534 56.954 56.400 0.033 0.000 0.804 201 E CB -0.135 29.578 29.700 0.022 0.000 0.745 201 E HN 0.297 nan 8.360 nan 0.000 0.458 202 L N 0.666 121.932 121.223 0.073 0.000 2.056 202 L HA -0.033 4.308 4.340 0.002 0.000 0.207 202 L C 2.165 179.143 176.870 0.180 0.000 1.078 202 L CA 2.117 57.037 54.840 0.133 0.000 0.749 202 L CB -1.046 41.104 42.059 0.152 0.000 0.901 202 L HN 0.130 nan 8.230 nan 0.000 0.433 203 A N -0.376 122.513 122.820 0.116 0.000 1.877 203 A HA -0.234 4.087 4.320 0.002 0.000 0.216 203 A C 2.448 180.086 177.584 0.089 0.000 1.186 203 A CA 1.799 53.892 52.037 0.094 0.000 0.620 203 A CB -0.566 18.461 19.000 0.045 0.000 0.822 203 A HN 0.464 nan 8.150 nan 0.000 0.443 204 R N -1.304 119.240 120.500 0.074 0.000 2.091 204 R HA -0.145 4.196 4.340 0.002 0.000 0.238 204 R C 2.117 178.477 176.300 0.101 0.000 1.136 204 R CA 1.550 57.690 56.100 0.068 0.000 0.959 204 R CB -0.520 29.810 30.300 0.049 0.000 0.856 204 R HN 0.504 nan 8.270 nan 0.000 0.437 205 L N 1.529 122.839 121.223 0.144 0.000 2.093 205 L HA -0.163 4.178 4.340 0.002 0.000 0.208 205 L C 2.303 179.374 176.870 0.334 0.000 1.085 205 L CA 1.762 56.728 54.840 0.209 0.000 0.755 205 L CB -0.322 41.845 42.059 0.180 0.000 0.904 205 L HN -0.009 nan 8.230 nan 0.000 0.435 206 K N -0.354 120.236 120.400 0.317 0.000 2.057 206 K HA -0.240 4.081 4.320 0.002 0.000 0.206 206 K C 2.064 178.658 176.600 -0.010 0.000 1.050 206 K CA 1.584 57.913 56.287 0.069 0.000 0.935 206 K CB -0.076 32.422 32.500 -0.003 0.000 0.715 206 K HN 0.305 nan 8.250 nan 0.000 0.439 207 E N 0.742 120.963 120.200 0.035 0.000 2.085 207 E HA -0.131 4.220 4.350 0.002 0.000 0.194 207 E C 1.874 178.490 176.600 0.026 0.000 0.994 207 E CA 1.394 57.804 56.400 0.017 0.000 0.801 207 E CB -0.183 29.532 29.700 0.025 0.000 0.743 207 E HN 0.140 nan 8.360 nan 0.000 0.453 208 V N 0.176 120.125 119.914 0.058 0.000 2.346 208 V HA -0.121 4.000 4.120 0.002 0.000 0.244 208 V C 2.374 178.507 176.094 0.066 0.000 1.037 208 V CA 1.351 63.686 62.300 0.059 0.000 1.029 208 V CB -0.328 31.537 31.823 0.069 0.000 0.663 208 V HN 0.281 nan 8.190 nan 0.000 0.454 209 L N 0.322 121.608 121.223 0.106 0.000 2.240 209 L HA 0.211 4.552 4.340 0.002 0.000 0.211 209 L C 1.598 178.489 176.870 0.035 0.000 1.106 209 L CA 0.981 55.890 54.840 0.115 0.000 0.793 209 L CB -0.835 41.387 42.059 0.271 0.000 0.927 209 L HN 0.588 nan 8.230 nan 0.000 0.446 210 G N 1.668 110.444 108.800 -0.040 0.000 2.351 210 G HA2 -0.190 3.771 3.960 0.002 0.000 0.297 210 G HA3 -0.190 3.771 3.960 0.002 0.000 0.297 210 G C -2.083 172.761 174.900 -0.093 0.000 1.054 210 G CA -0.482 44.575 45.100 -0.073 0.000 1.123 210 G HN 0.212 nan 8.290 nan 0.000 0.512 211 P HA 0.218 nan 4.420 nan 0.000 0.271 211 P C 0.512 177.769 177.300 -0.072 0.000 1.216 211 P CA -0.216 62.796 63.100 -0.147 0.000 0.776 211 P CB 0.922 32.359 31.700 -0.439 0.000 0.881 212 D N 0.677 121.108 120.400 0.051 0.000 2.224 212 D HA -0.042 4.599 4.640 0.002 0.000 0.205 212 D C 0.292 176.568 176.300 -0.040 0.000 0.965 212 D CA 1.365 55.394 54.000 0.050 0.000 0.852 212 D CB 0.576 41.474 40.800 0.164 0.000 0.947 212 D HN 0.497 nan 8.370 nan 0.000 0.494 213 E N 0.184 120.315 120.200 -0.115 0.000 2.356 213 E HA 0.414 4.764 4.350 0.002 0.000 0.275 213 E C -0.995 175.497 176.600 -0.179 0.000 0.904 213 E CA -0.706 55.512 56.400 -0.303 0.000 0.757 213 E CB 3.357 32.524 29.700 -0.888 0.000 1.232 213 E HN -0.258 nan 8.360 nan 0.000 0.442 214 V N 2.893 122.731 119.914 -0.127 0.000 2.419 214 V HA 0.236 4.357 4.120 0.002 0.000 0.287 214 V C -0.869 175.201 176.094 -0.039 0.000 1.017 214 V CA -0.662 61.623 62.300 -0.025 0.000 0.844 214 V CB 1.145 32.945 31.823 -0.038 0.000 1.011 214 V HN 0.435 nan 8.190 nan 0.000 0.429 215 L N 5.619 126.850 121.223 0.012 0.000 2.257 215 L HA 0.461 4.802 4.340 0.002 0.000 0.290 215 L C -0.252 176.582 176.870 -0.059 0.000 1.044 215 L CA -0.180 54.654 54.840 -0.011 0.000 0.810 215 L CB 1.284 43.395 42.059 0.088 0.000 1.193 215 L HN 0.548 nan 8.230 nan 0.000 0.425 216 L N 5.801 126.943 121.223 -0.135 0.000 2.325 216 L HA 0.359 4.700 4.340 0.002 0.000 0.284 216 L C -0.352 176.415 176.870 -0.171 0.000 1.089 216 L CA 0.217 54.923 54.840 -0.223 0.000 0.836 216 L CB 0.737 42.653 42.059 -0.238 0.000 1.184 216 L HN 0.292 nan 8.230 nan 0.000 0.444 217 V N 7.190 127.003 119.914 -0.167 0.000 2.432 217 V HA 0.371 4.492 4.120 0.002 0.000 0.275 217 V C 0.151 176.182 176.094 -0.105 0.000 1.043 217 V CA -0.361 61.880 62.300 -0.098 0.000 0.925 217 V CB 1.143 32.929 31.823 -0.063 0.000 0.985 217 V HN 0.594 nan 8.190 nan 0.000 0.466 218 L N 3.952 125.133 121.223 -0.071 0.000 2.406 218 L HA 0.472 4.813 4.340 0.002 0.000 0.272 218 L C -0.501 176.350 176.870 -0.031 0.000 0.980 218 L CA -0.643 54.162 54.840 -0.058 0.000 0.831 218 L CB 2.099 44.116 42.059 -0.069 0.000 1.253 218 L HN 0.498 nan 8.230 nan 0.000 0.406 219 D N 2.483 122.871 120.400 -0.020 0.000 2.346 219 D HA 0.188 4.829 4.640 0.002 0.000 0.260 219 D C 0.884 177.177 176.300 -0.010 0.000 1.252 219 D CA 0.091 54.088 54.000 -0.006 0.000 0.895 219 D CB 1.939 42.737 40.800 -0.002 0.000 1.097 219 D HN 0.637 nan 8.370 nan 0.000 0.489 220 A N 4.432 127.252 122.820 0.000 0.000 2.121 220 A HA -0.111 4.210 4.320 0.002 0.000 0.218 220 A C 2.053 179.619 177.584 -0.029 0.000 1.154 220 A CA 0.732 52.761 52.037 -0.013 0.000 0.679 220 A CB -0.312 18.706 19.000 0.029 0.000 0.795 220 A HN 0.711 nan 8.150 nan 0.000 0.458 221 M N -0.083 119.512 119.600 -0.009 0.000 2.619 221 M HA -0.058 4.423 4.480 0.002 0.000 0.251 221 M C 1.802 178.087 176.300 -0.025 0.000 1.106 221 M CA 1.410 56.701 55.300 -0.014 0.000 1.086 221 M CB -0.112 32.491 32.600 0.005 0.000 1.465 221 M HN 0.601 nan 8.290 nan 0.000 0.506 222 T N -2.894 111.644 114.554 -0.026 0.000 3.100 222 T HA 0.425 4.776 4.350 0.002 0.000 0.253 222 T C 1.190 175.867 174.700 -0.040 0.000 1.118 222 T CA 0.245 62.330 62.100 -0.025 0.000 1.058 222 T CB -0.081 68.778 68.868 -0.014 0.000 0.953 222 T HN 0.531 nan 8.240 nan 0.000 0.515 223 G N 1.582 110.347 108.800 -0.059 0.000 2.525 223 G HA2 -0.323 3.638 3.960 0.002 0.000 0.248 223 G HA3 -0.323 3.638 3.960 0.002 0.000 0.248 223 G C 0.511 175.368 174.900 -0.072 0.000 1.238 223 G CA 0.249 45.300 45.100 -0.082 0.000 0.926 223 G HN 0.337 nan 8.290 nan 0.000 0.574 224 Q N -0.397 119.360 119.800 -0.072 0.000 2.082 224 Q HA -0.264 4.077 4.340 0.002 0.000 0.211 224 Q C 2.470 178.449 176.000 -0.036 0.000 1.002 224 Q CA 2.631 58.400 55.803 -0.056 0.000 0.868 224 Q CB -0.221 28.485 28.738 -0.053 0.000 0.931 224 Q HN 0.696 nan 8.270 nan 0.000 0.414 225 E N 0.544 120.727 120.200 -0.029 0.000 2.160 225 E HA -0.198 4.153 4.350 0.002 0.000 0.195 225 E C 1.709 178.305 176.600 -0.006 0.000 0.991 225 E CA 1.302 57.694 56.400 -0.014 0.000 0.810 225 E CB -0.276 29.416 29.700 -0.013 0.000 0.742 225 E HN 0.364 nan 8.360 nan 0.000 0.466 226 A N 0.694 123.505 122.820 -0.014 0.000 1.958 226 A HA -0.194 4.127 4.320 0.002 0.000 0.221 226 A C 2.179 179.762 177.584 -0.002 0.000 1.178 226 A CA 1.755 53.786 52.037 -0.010 0.000 0.642 226 A CB -0.786 18.198 19.000 -0.027 0.000 0.816 226 A HN 0.402 nan 8.150 nan 0.000 0.453 227 L N 0.543 121.760 121.223 -0.009 0.000 2.552 227 L HA -0.060 4.281 4.340 0.002 0.000 0.227 227 L C 2.576 179.459 176.870 0.020 0.000 1.146 227 L CA 0.883 55.722 54.840 -0.001 0.000 0.858 227 L CB -0.404 41.648 42.059 -0.012 0.000 0.969 227 L HN 0.563 nan 8.230 nan 0.000 0.451 228 S N -0.018 115.696 115.700 0.023 0.000 2.447 228 S HA -0.120 4.351 4.470 0.002 0.000 0.233 228 S C 1.788 176.418 174.600 0.050 0.000 1.006 228 S CA 0.971 59.188 58.200 0.028 0.000 0.957 228 S CB -0.668 62.543 63.200 0.018 0.000 0.773 228 S HN 0.379 nan 8.310 nan 0.000 0.507 229 V N -1.185 118.782 119.914 0.088 0.000 3.406 229 V HA 0.464 4.585 4.120 0.002 0.000 0.263 229 V C 2.435 178.669 176.094 0.234 0.000 1.172 229 V CA 0.551 62.949 62.300 0.164 0.000 1.140 229 V CB -1.195 30.797 31.823 0.282 0.000 0.784 229 V HN 0.461 nan 8.190 nan 0.000 0.467 230 A N 1.501 124.407 122.820 0.143 0.000 1.883 230 A HA -0.232 4.089 4.320 0.002 0.000 0.217 230 A C 2.352 180.006 177.584 0.116 0.000 1.186 230 A CA 2.364 54.475 52.037 0.123 0.000 0.624 230 A CB -0.654 18.369 19.000 0.039 0.000 0.822 230 A HN 0.542 nan 8.150 nan 0.000 0.444 231 R N 0.151 120.690 120.500 0.065 0.000 2.075 231 R HA 0.017 4.357 4.340 0.002 0.000 0.232 231 R C 2.187 178.504 176.300 0.028 0.000 1.126 231 R CA 1.888 58.009 56.100 0.035 0.000 0.963 231 R CB -1.157 29.150 30.300 0.012 0.000 0.858 231 R HN 0.404 nan 8.270 nan 0.000 0.435 232 A N -0.202 122.623 122.820 0.009 0.000 1.865 232 A HA -0.155 4.166 4.320 0.002 0.000 0.217 232 A C 2.189 179.708 177.584 -0.107 0.000 1.191 232 A CA 1.712 53.700 52.037 -0.081 0.000 0.623 232 A CB -0.974 17.933 19.000 -0.154 0.000 0.826 232 A HN 0.359 nan 8.150 nan 0.000 0.444 233 F N 0.049 119.997 119.950 -0.004 0.000 2.095 233 F HA -0.195 4.332 4.527 0.000 0.000 0.298 233 F C 2.216 178.014 175.800 -0.004 0.000 1.104 233 F CA 2.068 60.069 58.000 0.003 0.000 1.232 233 F CB -0.601 38.401 39.000 0.004 0.000 0.987 233 F HN 0.343 nan 8.300 nan 0.000 0.475 234 D N 0.017 120.519 120.400 0.170 0.000 2.117 234 D HA -0.206 4.435 4.640 0.002 0.000 0.197 234 D C 2.155 178.478 176.300 0.038 0.000 0.987 234 D CA 1.520 55.567 54.000 0.078 0.000 0.829 234 D CB -0.301 40.521 40.800 0.037 0.000 0.961 234 D HN 0.530 nan 8.370 nan 0.000 0.460 235 E N -0.356 119.856 120.200 0.020 0.000 2.150 235 E HA -0.184 4.167 4.350 0.002 0.000 0.193 235 E C 1.643 178.241 176.600 -0.003 0.000 0.985 235 E CA 0.784 57.183 56.400 -0.001 0.000 0.814 235 E CB -0.051 29.641 29.700 -0.013 0.000 0.752 235 E HN 0.106 nan 8.360 nan 0.000 0.466 236 K N 0.243 120.640 120.400 -0.004 0.000 2.262 236 K HA 0.098 4.419 4.320 0.002 0.000 0.200 236 K C 1.751 178.369 176.600 0.030 0.000 1.049 236 K CA 0.551 56.835 56.287 -0.004 0.000 0.979 236 K CB 1.030 33.505 32.500 -0.042 0.000 0.773 236 K HN 0.124 nan 8.250 nan 0.000 0.474 237 V N -1.129 118.822 119.914 0.062 0.000 3.350 237 V HA 0.178 4.299 4.120 0.002 0.000 0.246 237 V C 0.333 176.449 176.094 0.037 0.000 1.363 237 V CA 0.511 62.861 62.300 0.084 0.000 1.162 237 V CB 0.963 32.903 31.823 0.195 0.000 0.947 237 V HN 0.389 nan 8.190 nan 0.000 0.454 238 G N 1.716 110.538 108.800 0.035 0.000 2.956 238 G HA2 -0.137 3.824 3.960 0.002 0.000 0.263 238 G HA3 -0.137 3.824 3.960 0.002 0.000 0.263 238 G C -0.354 174.535 174.900 -0.018 0.000 1.090 238 G CA -0.081 45.017 45.100 -0.004 0.000 1.185 238 G HN 0.340 nan 8.290 nan 0.000 0.566 239 V N 1.513 121.424 119.914 -0.006 0.000 2.572 239 V HA 0.432 4.553 4.120 0.002 0.000 0.291 239 V C 1.828 177.868 176.094 -0.091 0.000 1.039 239 V CA 1.170 63.444 62.300 -0.043 0.000 1.055 239 V CB 1.195 32.997 31.823 -0.034 0.000 0.969 239 V HN 1.099 nan 8.190 nan 0.000 0.482 240 T N 0.828 115.306 114.554 -0.126 0.000 2.990 240 T HA 0.430 4.781 4.350 0.002 0.000 0.249 240 T C 0.637 175.128 174.700 -0.349 0.000 1.039 240 T CA 0.475 62.483 62.100 -0.154 0.000 1.036 240 T CB 0.571 69.390 68.868 -0.081 0.000 0.994 240 T HN 1.010 nan 8.240 nan 0.000 0.489 241 G N 0.455 108.974 108.800 -0.468 0.000 2.623 241 G HA2 0.597 4.558 3.960 0.002 0.000 0.290 241 G HA3 0.597 4.558 3.960 0.002 0.000 0.290 241 G C -2.011 172.576 174.900 -0.521 0.000 1.437 241 G CA -1.095 43.451 45.100 -0.923 0.000 0.798 241 G HN 0.336 nan 8.290 nan 0.000 0.488 242 L N -0.263 120.672 121.223 -0.479 0.000 2.330 242 L HA 0.779 5.120 4.340 0.002 0.000 0.271 242 L C -0.494 176.310 176.870 -0.110 0.000 1.013 242 L CA -1.299 53.396 54.840 -0.243 0.000 0.816 242 L CB 2.185 44.099 42.059 -0.242 0.000 1.287 242 L HN 0.244 nan 8.230 nan 0.000 0.435 243 V N 3.015 122.904 119.914 -0.042 0.000 2.444 243 V HA 0.334 4.455 4.120 0.002 0.000 0.294 243 V C -0.456 175.625 176.094 -0.022 0.000 1.022 243 V CA -0.420 61.902 62.300 0.037 0.000 0.850 243 V CB 1.888 33.772 31.823 0.102 0.000 0.992 243 V HN 0.386 nan 8.190 nan 0.000 0.426 244 L N 5.730 126.933 121.223 -0.034 0.000 2.259 244 L HA 0.479 4.820 4.340 0.002 0.000 0.288 244 L C 0.860 177.754 176.870 0.040 0.000 1.051 244 L CA 0.417 55.242 54.840 -0.024 0.000 0.824 244 L CB 1.431 43.454 42.059 -0.060 0.000 1.206 244 L HN 0.873 nan 8.230 nan 0.000 0.429 245 T N -0.601 113.972 114.554 0.033 0.000 2.902 245 T HA 0.450 4.801 4.350 0.002 0.000 0.280 245 T C 0.473 175.207 174.700 0.057 0.000 0.992 245 T CA -0.750 61.378 62.100 0.047 0.000 1.015 245 T CB 0.820 69.705 68.868 0.028 0.000 1.044 245 T HN 0.585 nan 8.240 nan 0.000 0.520 246 K N 0.241 120.678 120.400 0.061 0.000 3.160 246 K HA -0.148 4.173 4.320 0.002 0.000 0.280 246 K C 1.089 177.748 176.600 0.098 0.000 1.154 246 K CA 0.635 56.961 56.287 0.064 0.000 0.822 246 K CB -2.137 30.391 32.500 0.045 0.000 1.239 246 K HN 0.610 nan 8.250 nan 0.000 0.489 247 L N 0.923 122.225 121.223 0.131 0.000 2.187 247 L HA -0.208 4.133 4.340 0.002 0.000 0.213 247 L C 2.325 179.291 176.870 0.160 0.000 1.100 247 L CA 1.821 56.788 54.840 0.212 0.000 0.765 247 L CB -0.631 41.556 42.059 0.214 0.000 0.904 247 L HN 0.414 nan 8.230 nan 0.000 0.437 248 D N -0.239 120.218 120.400 0.095 0.000 2.264 248 D HA -0.130 4.511 4.640 0.002 0.000 0.208 248 D C 1.816 178.160 176.300 0.072 0.000 0.966 248 D CA 1.312 55.352 54.000 0.067 0.000 0.864 248 D CB -0.224 40.604 40.800 0.046 0.000 0.933 248 D HN 0.309 nan 8.370 nan 0.000 0.499 249 G N -0.124 108.724 108.800 0.080 0.000 3.126 249 G HA2 -0.042 3.919 3.960 0.002 0.000 0.224 249 G HA3 -0.042 3.919 3.960 0.002 0.000 0.224 249 G C -0.069 174.882 174.900 0.085 0.000 1.142 249 G CA -0.286 44.855 45.100 0.068 0.000 0.759 249 G HN 0.088 nan 8.290 nan 0.000 0.550 250 D N 0.998 121.479 120.400 0.136 0.000 2.365 250 D HA 0.497 5.138 4.640 0.002 0.000 0.237 250 D C 1.292 177.726 176.300 0.222 0.000 1.190 250 D CA -0.169 53.920 54.000 0.149 0.000 0.867 250 D CB 1.386 42.294 40.800 0.181 0.000 1.050 250 D HN 0.007 nan 8.370 nan 0.000 0.491 251 A N 4.484 127.372 122.820 0.114 0.000 2.169 251 A HA 0.020 4.341 4.320 0.002 0.000 0.212 251 A C 1.895 179.531 177.584 0.086 0.000 1.153 251 A CA 0.667 52.773 52.037 0.116 0.000 0.756 251 A CB 0.137 19.173 19.000 0.059 0.000 0.813 251 A HN 0.568 nan 8.150 nan 0.000 0.471 252 R N -2.445 118.025 120.500 -0.050 0.000 2.144 252 R HA 0.331 4.672 4.340 0.002 0.000 0.195 252 R C 1.399 177.408 176.300 -0.485 0.000 1.077 252 R CA 0.673 56.671 56.100 -0.170 0.000 1.120 252 R CB 0.051 30.255 30.300 -0.159 0.000 1.060 252 R HN 0.619 nan 8.270 nan 0.000 0.520 253 G N -0.076 108.180 108.800 -0.906 0.000 2.157 253 G HA2 -0.240 3.721 3.960 0.002 0.000 0.239 253 G HA3 -0.240 3.721 3.960 0.002 0.000 0.239 253 G C 0.889 175.354 174.900 -0.725 0.000 0.982 253 G CA 0.279 44.352 45.100 -1.711 0.000 0.650 253 G HN 0.486 nan 8.290 nan 0.000 0.527 254 G N 0.744 109.292 108.800 -0.419 0.000 2.469 254 G HA2 0.120 4.081 3.960 0.002 0.000 0.219 254 G HA3 0.120 4.081 3.960 0.002 0.000 0.219 254 G C 1.981 176.766 174.900 -0.191 0.000 1.150 254 G CA 2.759 47.710 45.100 -0.249 0.000 0.763 254 G HN 1.633 nan 8.290 nan 0.000 0.561 255 A N 1.067 123.776 122.820 -0.185 0.000 1.873 255 A HA 0.330 4.651 4.320 0.002 0.000 0.215 255 A C 2.849 180.369 177.584 -0.107 0.000 1.186 255 A CA 2.209 54.173 52.037 -0.122 0.000 0.616 255 A CB -0.852 18.089 19.000 -0.099 0.000 0.823 255 A HN 0.812 nan 8.150 nan 0.000 0.442 256 A N -0.142 122.608 122.820 -0.117 0.000 1.865 256 A HA -0.093 4.228 4.320 0.002 0.000 0.217 256 A C 2.141 179.728 177.584 0.005 0.000 1.191 256 A CA 1.621 53.641 52.037 -0.028 0.000 0.623 256 A CB -0.724 18.371 19.000 0.158 0.000 0.826 256 A HN 0.465 nan 8.150 nan 0.000 0.444 257 L N -0.222 120.991 121.223 -0.017 0.000 2.275 257 L HA -0.102 4.239 4.340 0.002 0.000 0.215 257 L C 2.254 179.127 176.870 0.005 0.000 1.119 257 L CA 1.227 56.080 54.840 0.023 0.000 0.790 257 L CB -0.111 41.930 42.059 -0.029 0.000 0.919 257 L HN 0.317 nan 8.230 nan 0.000 0.443 258 S N -0.741 114.938 115.700 -0.036 0.000 2.524 258 S HA 0.147 4.618 4.470 0.002 0.000 0.216 258 S C 2.089 176.696 174.600 0.011 0.000 0.987 258 S CA 0.493 58.677 58.200 -0.026 0.000 0.909 258 S CB 0.335 63.496 63.200 -0.064 0.000 0.781 258 S HN 0.416 nan 8.310 nan 0.000 0.521 259 A N 2.915 125.726 122.820 -0.015 0.000 1.877 259 A HA -0.112 4.209 4.320 0.002 0.000 0.216 259 A C 2.213 179.788 177.584 -0.014 0.000 1.186 259 A CA 1.089 53.105 52.037 -0.036 0.000 0.620 259 A CB -0.345 18.598 19.000 -0.095 0.000 0.822 259 A HN 0.256 nan 8.150 nan 0.000 0.443 260 R N -1.146 119.356 120.500 0.003 0.000 2.073 260 R HA -0.167 4.174 4.340 0.002 0.000 0.234 260 R C 2.172 178.495 176.300 0.037 0.000 1.134 260 R CA 1.943 58.046 56.100 0.006 0.000 0.952 260 R CB -1.130 29.183 30.300 0.022 0.000 0.850 260 R HN 0.878 nan 8.270 nan 0.000 0.433 261 H N 0.499 119.559 119.070 -0.016 0.000 2.290 261 H HA -0.086 4.471 4.556 0.001 0.000 0.298 261 H C 2.001 177.318 175.328 -0.019 0.000 1.087 261 H CA 2.223 58.264 56.048 -0.011 0.000 1.291 261 H CB 0.067 29.829 29.762 -0.001 0.000 1.369 261 H HN -0.081 nan 8.280 nan 0.000 0.492 262 V N -0.128 119.919 119.914 0.223 0.000 2.379 262 V HA -0.200 3.921 4.120 0.002 0.000 0.245 262 V C 2.581 178.691 176.094 0.027 0.000 1.044 262 V CA 2.130 64.524 62.300 0.157 0.000 1.036 262 V CB -0.519 31.369 31.823 0.108 0.000 0.664 262 V HN 0.849 nan 8.190 nan 0.000 0.453 263 T N -3.293 111.259 114.554 -0.003 0.000 3.015 263 T HA 0.250 4.601 4.350 0.002 0.000 0.250 263 T C 1.653 176.319 174.700 -0.057 0.000 1.057 263 T CA 0.956 63.036 62.100 -0.033 0.000 1.066 263 T CB 0.573 69.411 68.868 -0.050 0.000 0.959 263 T HN 0.914 nan 8.240 nan 0.000 0.488 264 G N 2.025 110.786 108.800 -0.064 0.000 2.180 264 G HA2 -0.240 3.721 3.960 0.002 0.000 0.263 264 G HA3 -0.240 3.721 3.960 0.002 0.000 0.263 264 G C -0.010 174.838 174.900 -0.086 0.000 0.989 264 G CA 0.486 45.541 45.100 -0.074 0.000 0.692 264 G HN 0.636 nan 8.290 nan 0.000 0.526 265 K N 0.487 120.822 120.400 -0.109 0.000 2.156 265 K HA 0.544 4.865 4.320 0.002 0.000 0.250 265 K C -2.366 174.118 176.600 -0.194 0.000 0.955 265 K CA -2.155 54.034 56.287 -0.162 0.000 0.855 265 K CB 2.122 34.506 32.500 -0.192 0.000 1.101 265 K HN 0.114 nan 8.250 nan 0.000 0.434 266 P HA 0.291 nan 4.420 nan 0.000 0.278 266 P C -0.245 176.834 177.300 -0.369 0.000 1.238 266 P CA -0.336 62.618 63.100 -0.243 0.000 0.794 266 P CB 0.637 32.218 31.700 -0.197 0.000 0.955 267 I N 3.510 123.909 120.570 -0.286 0.000 2.396 267 I HA 0.096 4.267 4.170 0.002 0.000 0.289 267 I C 1.424 177.444 176.117 -0.161 0.000 1.056 267 I CA -0.220 60.846 61.300 -0.390 0.000 1.365 267 I CB 0.186 37.665 38.000 -0.869 0.000 1.407 267 I HN 0.458 nan 8.210 nan 0.000 0.509 268 Y N 4.820 124.985 120.300 -0.225 0.000 2.262 268 Y HA 0.162 4.713 4.550 0.001 0.000 0.295 268 Y C 0.499 176.010 175.900 -0.649 0.000 1.121 268 Y CA 0.012 57.890 58.100 -0.370 0.000 1.144 268 Y CB 0.531 38.865 38.460 -0.209 0.000 1.043 268 Y HN 0.352 nan 8.280 nan 0.000 0.528 269 F N -1.107 118.941 119.950 0.164 0.000 2.613 269 F HA 0.644 5.173 4.527 0.003 0.000 0.310 269 F C -0.430 175.420 175.800 0.085 0.000 1.085 269 F CA -1.356 56.715 58.000 0.119 0.000 0.945 269 F CB 1.448 40.482 39.000 0.056 0.000 1.298 269 F HN -0.328 nan 8.300 nan 0.000 0.455 270 A N 0.779 123.802 122.820 0.338 0.000 2.330 270 A HA 0.740 5.061 4.320 0.002 0.000 0.327 270 A C -0.208 177.484 177.584 0.180 0.000 1.155 270 A CA -0.568 51.614 52.037 0.241 0.000 0.803 270 A CB 0.766 19.959 19.000 0.322 0.000 1.208 270 A HN 0.963 nan 8.150 nan 0.000 0.477 271 G N 0.363 109.238 108.800 0.124 0.000 2.320 271 G HA2 0.492 4.453 3.960 0.002 0.000 0.300 271 G HA3 0.492 4.453 3.960 0.002 0.000 0.300 271 G C 0.364 175.314 174.900 0.083 0.000 1.126 271 G CA 0.312 45.463 45.100 0.085 0.000 0.896 271 G HN 1.676 nan 8.290 nan 0.000 0.436 272 V N -0.113 119.842 119.914 0.068 0.000 3.346 272 V HA 0.608 4.729 4.120 0.002 0.000 0.309 272 V C 0.416 176.535 176.094 0.043 0.000 1.457 272 V CA 0.480 62.816 62.300 0.059 0.000 1.069 272 V CB -0.827 31.029 31.823 0.054 0.000 0.944 272 V HN 1.163 nan 8.190 nan 0.000 0.449 273 S N -0.474 115.250 115.700 0.039 0.000 2.656 273 S HA 0.281 4.752 4.470 0.002 0.000 0.265 273 S C 0.528 175.144 174.600 0.027 0.000 1.110 273 S CA 0.181 58.400 58.200 0.031 0.000 0.821 273 S CB 1.258 64.473 63.200 0.026 0.000 1.099 273 S HN 0.398 nan 8.310 nan 0.000 0.471 274 E N 1.113 121.326 120.200 0.022 0.000 2.274 274 E HA 0.017 4.368 4.350 0.002 0.000 0.194 274 E C 0.004 176.614 176.600 0.016 0.000 0.996 274 E CA 0.615 57.026 56.400 0.018 0.000 0.840 274 E CB -0.311 29.399 29.700 0.016 0.000 0.772 274 E HN 0.639 nan 8.360 nan 0.000 0.491 275 K N 1.396 121.806 120.400 0.017 0.000 2.219 275 K HA 0.114 4.435 4.320 0.002 0.000 0.258 275 K C -1.791 174.818 176.600 0.015 0.000 1.008 275 K CA -1.589 54.707 56.287 0.015 0.000 0.928 275 K CB 0.485 32.995 32.500 0.016 0.000 0.983 275 K HN -0.154 nan 8.250 nan 0.000 0.484 276 P HA -0.146 nan 4.420 nan 0.000 0.221 276 P C 0.031 177.343 177.300 0.020 0.000 1.145 276 P CA 1.248 64.356 63.100 0.014 0.000 0.795 276 P CB 0.235 31.943 31.700 0.013 0.000 0.775 277 E N -0.952 119.262 120.200 0.025 0.000 2.502 277 E HA 0.086 4.437 4.350 0.002 0.000 0.194 277 E C 1.621 178.243 176.600 0.036 0.000 1.062 277 E CA 0.351 56.772 56.400 0.035 0.000 0.867 277 E CB -1.001 28.718 29.700 0.032 0.000 0.888 277 E HN 0.145 nan 8.360 nan 0.000 0.510 278 G N 1.111 109.927 108.800 0.027 0.000 3.392 278 G HA2 0.270 4.231 3.960 0.002 0.000 0.247 278 G HA3 0.270 4.231 3.960 0.002 0.000 0.247 278 G C -0.541 174.378 174.900 0.032 0.000 1.161 278 G CA -0.160 44.959 45.100 0.031 0.000 1.739 278 G HN 0.086 nan 8.290 nan 0.000 0.619 279 L N -0.755 120.485 121.223 0.029 0.000 2.438 279 L HA 0.564 4.905 4.340 0.002 0.000 0.270 279 L C -0.937 175.957 176.870 0.041 0.000 0.972 279 L CA -0.607 54.239 54.840 0.010 0.000 0.831 279 L CB 2.123 44.124 42.059 -0.097 0.000 1.273 279 L HN 0.106 nan 8.230 nan 0.000 0.405 280 E N 6.366 126.640 120.200 0.125 0.000 2.210 280 E HA 0.449 4.800 4.350 0.002 0.000 0.266 280 E C -2.522 174.225 176.600 0.244 0.000 0.883 280 E CA -2.054 54.440 56.400 0.156 0.000 0.761 280 E CB 1.763 31.554 29.700 0.152 0.000 1.156 280 E HN 0.391 nan 8.360 nan 0.000 0.412 281 P HA -0.034 nan 4.420 nan 0.000 0.268 281 P C -0.786 176.592 177.300 0.131 0.000 1.205 281 P CA 0.004 63.122 63.100 0.029 0.000 0.771 281 P CB 0.365 32.137 31.700 0.121 0.000 0.858 282 F N 3.708 123.545 119.950 -0.189 0.000 2.404 282 F HA 0.326 4.854 4.527 0.002 0.000 0.358 282 F C -0.645 175.047 175.800 -0.180 0.000 1.120 282 F CA -0.245 57.705 58.000 -0.083 0.000 1.144 282 F CB 0.225 39.172 39.000 -0.090 0.000 1.133 282 F HN 0.196 nan 8.300 nan 0.000 0.495 283 Y N 7.929 127.849 120.300 -0.633 0.000 2.376 283 Y HA 0.296 4.847 4.550 0.001 0.000 0.326 283 Y C -1.738 173.763 175.900 -0.664 0.000 0.970 283 Y CA -1.881 55.956 58.100 -0.439 0.000 1.248 283 Y CB 1.281 39.601 38.460 -0.233 0.000 1.117 283 Y HN 0.501 nan 8.280 nan 0.000 0.476 284 P HA -0.291 nan 4.420 nan 0.000 0.216 284 P C 1.381 178.575 177.300 -0.176 0.000 1.154 284 P CA 2.106 65.055 63.100 -0.251 0.000 0.865 284 P CB 0.316 31.996 31.700 -0.033 0.000 0.789 285 E N -0.064 120.085 120.200 -0.085 0.000 2.150 285 E HA -0.192 4.159 4.350 0.002 0.000 0.193 285 E C 1.911 178.512 176.600 0.003 0.000 0.985 285 E CA 0.915 57.291 56.400 -0.040 0.000 0.814 285 E CB -0.498 29.249 29.700 0.079 0.000 0.752 285 E HN 0.231 nan 8.360 nan 0.000 0.466 286 R N 0.143 120.617 120.500 -0.043 0.000 2.066 286 R HA -0.061 4.280 4.340 0.002 0.000 0.232 286 R C 2.554 178.811 176.300 -0.070 0.000 1.131 286 R CA 1.199 57.266 56.100 -0.055 0.000 0.955 286 R CB -0.440 29.800 30.300 -0.101 0.000 0.851 286 R HN 0.173 nan 8.270 nan 0.000 0.432 287 L N 1.065 122.200 121.223 -0.146 0.000 2.046 287 L HA -0.058 4.283 4.340 0.002 0.000 0.208 287 L C 2.246 179.084 176.870 -0.053 0.000 1.077 287 L CA 1.856 56.623 54.840 -0.121 0.000 0.747 287 L CB -0.812 41.175 42.059 -0.120 0.000 0.896 287 L HN 0.148 nan 8.230 nan 0.000 0.432 288 A N -0.409 122.373 122.820 -0.063 0.000 1.892 288 A HA -0.156 4.165 4.320 0.002 0.000 0.218 288 A C 2.370 180.003 177.584 0.082 0.000 1.188 288 A CA 1.886 53.877 52.037 -0.076 0.000 0.631 288 A CB -1.660 17.108 19.000 -0.387 0.000 0.822 288 A HN 0.533 nan 8.150 nan 0.000 0.447 289 G N -0.905 108.017 108.800 0.203 0.000 2.446 289 G HA2 -0.245 3.716 3.960 0.002 0.000 0.217 289 G HA3 -0.245 3.716 3.960 0.002 0.000 0.217 289 G C 1.776 176.736 174.900 0.100 0.000 1.168 289 G CA 0.965 46.219 45.100 0.256 0.000 0.771 289 G HN 0.562 nan 8.290 nan 0.000 0.551 290 R N -0.277 120.239 120.500 0.026 0.000 2.081 290 R HA 0.043 4.384 4.340 0.002 0.000 0.235 290 R C 2.601 178.883 176.300 -0.030 0.000 1.131 290 R CA 1.069 57.152 56.100 -0.028 0.000 0.960 290 R CB -0.364 29.882 30.300 -0.089 0.000 0.856 290 R HN 0.392 nan 8.270 nan 0.000 0.436 291 I N 0.684 121.244 120.570 -0.017 0.000 2.361 291 I HA -0.252 3.919 4.170 0.002 0.000 0.251 291 I C 1.631 177.788 176.117 0.066 0.000 1.133 291 I CA 1.176 62.490 61.300 0.024 0.000 1.413 291 I CB -0.010 38.048 38.000 0.097 0.000 1.073 291 I HN 0.149 nan 8.210 nan 0.000 0.424 292 L N 0.096 121.373 121.223 0.090 0.000 2.612 292 L HA 0.211 4.552 4.340 0.002 0.000 0.230 292 L C 1.389 178.294 176.870 0.059 0.000 1.140 292 L CA 0.557 55.454 54.840 0.095 0.000 0.896 292 L CB -0.149 41.997 42.059 0.144 0.000 1.065 292 L HN 0.486 nan 8.230 nan 0.000 0.447 293 G N -0.394 108.429 108.800 0.038 0.000 2.192 293 G HA2 -0.260 3.701 3.960 0.002 0.000 0.193 293 G HA3 -0.260 3.701 3.960 0.002 0.000 0.193 293 G C 0.246 175.151 174.900 0.008 0.000 0.999 293 G CA -0.371 44.740 45.100 0.019 0.000 0.659 293 G HN 0.191 nan 8.290 nan 0.000 0.503 294 M N 1.611 121.218 119.600 0.012 0.000 2.219 294 M HA 0.458 4.939 4.480 0.002 0.000 0.353 294 M C 1.222 177.516 176.300 -0.011 0.000 1.304 294 M CA 1.665 56.965 55.300 -0.000 0.000 1.115 294 M CB 0.291 32.895 32.600 0.006 0.000 1.664 294 M HN 1.720 nan 8.290 nan 0.000 0.459 295 G N 0.000 108.791 108.800 -0.015 0.000 5.446 295 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 295 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 295 G CA 0.000 45.089 45.100 -0.018 0.000 0.502 295 G HN 0.000 nan 8.290 nan 0.000 0.925