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 3iib_1_A DATA FIRST_RESID 25 DATA SEQUENCE SDDINQKVAE QLAQKAQSSS LGYDIVESLT VEVGPRLAGS EQDKVAVDWA DATA SEQUENCE IAKLQSLGFD RVYKEPVTVP VWRRGIAKAS ILSPFPQPLV VTALGGSIAT DATA SEQUENCE PAQGLSATIV RFDTLQDLQN AEAGSLNDKI AFIDAKTERH RDGKGYGQTA DATA SEQUENCE SGRSRGAVAA AEKGAVGIII RSIGTDHDRX AHTGXXRYEE GVTAIPAAAI DATA SEQUENCE SNPDADLINA XLKRDKEVVI SLELGSERRG ETTSYNVIAE VKGSTKADEI DATA SEQUENCE VLIGAHLDSW DEGTGAIDDG AGVAIVTAAA KHILDLPQKP ERTIRVVLYA DATA SEQUENCE AEELGLLGGK TYAKEHEAEL EKHYIAAESD FGAGPIYQID WRVADTAHSP DATA SEQUENCE VINAXKVAEP LGVAAGNNKA SGGPDVSXLP ALGVPVASLR QDGSDYFDYH DATA SEQUENCE HTPNDTLDKI NPEALAQNVA VYAQFAWVXA NSKVELRPLP PK 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 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.617 174.600 0.028 0.000 1.055 25 S CA 0.000 58.210 58.200 0.017 0.000 1.107 25 S CB 0.000 63.211 63.200 0.018 0.000 0.593 26 D N 1.045 121.454 120.400 0.015 0.000 2.133 26 D HA -0.070 4.576 4.640 0.011 0.000 0.195 26 D C 1.152 177.479 176.300 0.046 0.000 0.997 26 D CA 1.922 55.936 54.000 0.023 0.000 0.840 26 D CB -0.362 40.443 40.800 0.009 0.000 0.947 26 D HN 0.618 nan 8.370 nan 0.000 0.452 27 D N 0.051 120.473 120.400 0.038 0.000 2.117 27 D HA -0.081 4.565 4.640 0.011 0.000 0.197 27 D C 2.263 178.598 176.300 0.059 0.000 0.987 27 D CA 0.392 54.417 54.000 0.043 0.000 0.829 27 D CB -0.268 40.550 40.800 0.030 0.000 0.961 27 D HN 0.268 nan 8.370 nan 0.000 0.460 28 I N 0.848 121.458 120.570 0.067 0.000 2.286 28 I HA -0.228 3.949 4.170 0.011 0.000 0.248 28 I C 1.842 178.043 176.117 0.141 0.000 1.115 28 I CA 0.813 62.164 61.300 0.085 0.000 1.392 28 I CB -0.151 37.901 38.000 0.085 0.000 1.065 28 I HN -0.005 nan 8.210 nan 0.000 0.418 29 N N 0.387 119.198 118.700 0.185 0.000 2.300 29 N HA -0.185 4.561 4.740 0.011 0.000 0.179 29 N C 1.769 177.439 175.510 0.266 0.000 1.016 29 N CA 0.769 54.022 53.050 0.338 0.000 0.876 29 N CB -0.213 38.428 38.487 0.257 0.000 0.979 29 N HN 0.466 nan 8.380 nan 0.000 0.432 30 Q N 1.346 121.238 119.800 0.152 0.000 2.096 30 Q HA -0.164 4.182 4.340 0.011 0.000 0.204 30 Q C 1.924 177.976 176.000 0.087 0.000 0.982 30 Q CA 1.580 57.451 55.803 0.114 0.000 0.850 30 Q CB 0.056 28.839 28.738 0.075 0.000 0.901 30 Q HN 0.198 nan 8.270 nan 0.000 0.422 31 K N -0.558 119.882 120.400 0.067 0.000 2.097 31 K HA -0.085 4.241 4.320 0.011 0.000 0.205 31 K C 1.937 178.531 176.600 -0.010 0.000 1.050 31 K CA 1.086 57.390 56.287 0.027 0.000 0.938 31 K CB 0.077 32.590 32.500 0.020 0.000 0.718 31 K HN 0.092 nan 8.250 nan 0.000 0.442 32 V N 1.277 121.178 119.914 -0.022 0.000 2.343 32 V HA -0.263 3.864 4.120 0.011 0.000 0.247 32 V C 2.380 178.362 176.094 -0.186 0.000 1.051 32 V CA 2.035 64.221 62.300 -0.190 0.000 1.036 32 V CB -0.680 30.909 31.823 -0.390 0.000 0.654 32 V HN 0.507 nan 8.190 nan 0.000 0.451 33 A N -0.460 122.349 122.820 -0.019 0.000 1.902 33 A HA -0.250 4.077 4.320 0.011 0.000 0.217 33 A C 2.151 179.746 177.584 0.019 0.000 1.181 33 A CA 1.877 53.947 52.037 0.054 0.000 0.623 33 A CB -0.480 18.625 19.000 0.175 0.000 0.818 33 A HN 0.628 nan 8.150 nan 0.000 0.443 34 E N -0.430 119.778 120.200 0.014 0.000 2.085 34 E HA -0.258 4.098 4.350 0.011 0.000 0.194 34 E C 2.276 178.859 176.600 -0.029 0.000 0.994 34 E CA 1.599 58.001 56.400 0.002 0.000 0.801 34 E CB -0.195 29.510 29.700 0.007 0.000 0.743 34 E HN 0.754 nan 8.360 nan 0.000 0.453 35 Q N 0.264 120.029 119.800 -0.058 0.000 2.119 35 Q HA -0.093 4.253 4.340 0.011 0.000 0.201 35 Q C 2.305 178.243 176.000 -0.104 0.000 0.972 35 Q CA 0.785 56.540 55.803 -0.081 0.000 0.847 35 Q CB -0.005 28.674 28.738 -0.098 0.000 0.903 35 Q HN 0.282 nan 8.270 nan 0.000 0.433 36 L N 0.146 121.300 121.223 -0.115 0.000 2.042 36 L HA -0.224 4.122 4.340 0.011 0.000 0.210 36 L C 2.484 179.290 176.870 -0.107 0.000 1.076 36 L CA 1.116 55.890 54.840 -0.109 0.000 0.749 36 L CB -0.591 41.432 42.059 -0.061 0.000 0.893 36 L HN 0.234 nan 8.230 nan 0.000 0.432 37 A N -0.534 122.255 122.820 -0.052 0.000 1.933 37 A HA -0.245 4.081 4.320 0.011 0.000 0.218 37 A C 2.213 179.756 177.584 -0.067 0.000 1.175 37 A CA 1.512 53.527 52.037 -0.037 0.000 0.628 37 A CB -0.440 18.561 19.000 0.001 0.000 0.814 37 A HN 0.469 nan 8.150 nan 0.000 0.444 38 Q N -0.218 119.540 119.800 -0.069 0.000 2.061 38 Q HA -0.205 4.141 4.340 0.011 0.000 0.204 38 Q C 2.015 177.949 176.000 -0.110 0.000 0.984 38 Q CA 1.702 57.463 55.803 -0.070 0.000 0.846 38 Q CB -0.195 28.508 28.738 -0.058 0.000 0.902 38 Q HN 0.402 nan 8.270 nan 0.000 0.421 39 K N 0.515 120.811 120.400 -0.173 0.000 2.063 39 K HA -0.126 4.200 4.320 0.011 0.000 0.208 39 K C 2.046 178.414 176.600 -0.386 0.000 1.048 39 K CA 1.414 57.537 56.287 -0.274 0.000 0.928 39 K CB -0.687 31.580 32.500 -0.388 0.000 0.713 39 K HN 0.245 nan 8.250 nan 0.000 0.442 40 A N 1.500 124.075 122.820 -0.409 0.000 1.933 40 A HA -0.210 4.116 4.320 0.011 0.000 0.218 40 A C 2.140 179.683 177.584 -0.068 0.000 1.175 40 A CA 1.526 53.416 52.037 -0.246 0.000 0.628 40 A CB -0.414 18.526 19.000 -0.100 0.000 0.814 40 A HN 0.438 nan 8.150 nan 0.000 0.444 41 Q N -0.228 119.535 119.800 -0.062 0.000 2.245 41 Q HA -0.060 4.287 4.340 0.011 0.000 0.201 41 Q C 2.031 178.021 176.000 -0.018 0.000 0.955 41 Q CA 1.406 57.196 55.803 -0.023 0.000 0.870 41 Q CB -0.059 28.668 28.738 -0.018 0.000 0.945 41 Q HN 0.807 nan 8.270 nan 0.000 0.461 42 S N -1.185 114.495 115.700 -0.032 0.000 2.556 42 S HA 0.132 4.609 4.470 0.011 0.000 0.216 42 S C 0.583 175.190 174.600 0.011 0.000 0.970 42 S CA -0.488 57.703 58.200 -0.014 0.000 0.912 42 S CB 0.702 63.889 63.200 -0.022 0.000 0.790 42 S HN 0.054 nan 8.310 nan 0.000 0.504 43 S N 1.477 117.198 115.700 0.034 0.000 2.472 43 S HA 0.486 4.963 4.470 0.011 0.000 0.303 43 S C 0.797 175.466 174.600 0.114 0.000 1.099 43 S CA -0.173 58.087 58.200 0.101 0.000 1.077 43 S CB 1.600 64.938 63.200 0.230 0.000 1.031 43 S HN 0.412 nan 8.310 nan 0.000 0.487 44 S N 4.836 120.598 115.700 0.103 0.000 2.603 44 S HA -0.002 4.474 4.470 0.011 0.000 0.220 44 S C 1.605 176.305 174.600 0.166 0.000 0.967 44 S CA 0.053 58.327 58.200 0.123 0.000 0.920 44 S CB -0.385 62.871 63.200 0.095 0.000 0.773 44 S HN 0.670 nan 8.310 nan 0.000 0.529 45 L N 2.921 124.232 121.223 0.147 0.000 1.990 45 L HA 0.060 4.407 4.340 0.011 0.000 0.213 45 L C 2.407 179.347 176.870 0.116 0.000 1.072 45 L CA 2.244 57.146 54.840 0.103 0.000 0.755 45 L CB -1.450 40.625 42.059 0.027 0.000 0.889 45 L HN 0.368 nan 8.230 nan 0.000 0.432 46 G N -1.788 107.102 108.800 0.150 0.000 2.491 46 G HA2 -0.412 3.554 3.960 0.011 0.000 0.218 46 G HA3 -0.412 3.554 3.960 0.011 0.000 0.218 46 G C 1.623 176.595 174.900 0.119 0.000 1.180 46 G CA 1.152 46.329 45.100 0.129 0.000 0.774 46 G HN 0.569 nan 8.290 nan 0.000 0.562 47 Y N 1.835 122.167 120.300 0.053 0.000 2.181 47 Y HA -0.124 4.433 4.550 0.010 0.000 0.288 47 Y C 2.458 178.384 175.900 0.043 0.000 1.146 47 Y CA 2.056 60.179 58.100 0.038 0.000 1.164 47 Y CB -0.074 38.404 38.460 0.029 0.000 0.982 47 Y HN 0.193 nan 8.280 nan 0.000 0.515 48 D N 0.314 120.797 120.400 0.139 0.000 2.178 48 D HA -0.189 4.457 4.640 0.011 0.000 0.201 48 D C 2.241 178.551 176.300 0.016 0.000 0.980 48 D CA 1.700 55.745 54.000 0.074 0.000 0.842 48 D CB -0.256 40.617 40.800 0.122 0.000 0.948 48 D HN 0.480 nan 8.370 nan 0.000 0.472 49 I N 0.158 120.755 120.570 0.045 0.000 2.252 49 I HA -0.178 3.998 4.170 0.011 0.000 0.245 49 I C 2.494 178.665 176.117 0.091 0.000 1.102 49 I CA 0.537 61.915 61.300 0.130 0.000 1.385 49 I CB -0.058 38.023 38.000 0.134 0.000 1.064 49 I HN -0.102 nan 8.210 nan 0.000 0.414 50 V N 0.577 120.448 119.914 -0.071 0.000 2.548 50 V HA -0.203 3.923 4.120 0.011 0.000 0.249 50 V C 2.455 178.391 176.094 -0.263 0.000 1.055 50 V CA 1.764 63.964 62.300 -0.166 0.000 1.065 50 V CB -0.368 31.350 31.823 -0.175 0.000 0.681 50 V HN 0.431 nan 8.190 nan 0.000 0.462 51 E N -0.021 119.954 120.200 -0.375 0.000 2.077 51 E HA -0.209 4.148 4.350 0.011 0.000 0.193 51 E C 2.362 178.875 176.600 -0.146 0.000 0.989 51 E CA 1.701 57.907 56.400 -0.324 0.000 0.800 51 E CB -0.291 29.192 29.700 -0.361 0.000 0.746 51 E HN 0.633 nan 8.360 nan 0.000 0.452 52 S N 0.115 115.792 115.700 -0.038 0.000 2.368 52 S HA -0.153 4.323 4.470 0.011 0.000 0.225 52 S C 2.052 176.588 174.600 -0.106 0.000 1.030 52 S CA 1.181 59.439 58.200 0.097 0.000 0.999 52 S CB -0.294 63.113 63.200 0.345 0.000 0.844 52 S HN 0.282 nan 8.310 nan 0.000 0.459 53 L N 1.913 122.925 121.223 -0.351 0.000 2.027 53 L HA -0.013 4.334 4.340 0.011 0.000 0.206 53 L C 2.686 179.210 176.870 -0.576 0.000 1.074 53 L CA 2.787 57.031 54.840 -0.992 0.000 0.745 53 L CB -1.564 39.891 42.059 -1.008 0.000 0.898 53 L HN 0.592 nan 8.230 nan 0.000 0.433 54 T N -4.119 110.224 114.554 -0.352 0.000 2.867 54 T HA -0.090 4.267 4.350 0.011 0.000 0.268 54 T C 1.796 176.382 174.700 -0.190 0.000 1.057 54 T CA 1.401 63.353 62.100 -0.246 0.000 1.136 54 T CB -0.887 67.867 68.868 -0.190 0.000 0.874 54 T HN 0.155 nan 8.240 nan 0.000 0.466 55 V N 1.770 121.584 119.914 -0.166 0.000 2.379 55 V HA 0.018 4.145 4.120 0.011 0.000 0.243 55 V C 2.520 178.554 176.094 -0.100 0.000 1.035 55 V CA 1.541 63.779 62.300 -0.103 0.000 1.035 55 V CB -0.494 31.293 31.823 -0.060 0.000 0.673 55 V HN 0.518 nan 8.190 nan 0.000 0.457 56 E N -0.515 119.610 120.200 -0.125 0.000 2.442 56 E HA 0.008 4.364 4.350 0.011 0.000 0.195 56 E C 1.631 178.157 176.600 -0.123 0.000 1.030 56 E CA 0.581 56.938 56.400 -0.071 0.000 0.869 56 E CB 0.533 30.261 29.700 0.047 0.000 0.857 56 E HN 0.488 nan 8.360 nan 0.000 0.505 57 V N -0.981 118.789 119.914 -0.241 0.000 3.054 57 V HA 0.303 4.430 4.120 0.011 0.000 0.227 57 V C 1.113 177.106 176.094 -0.168 0.000 1.252 57 V CA 0.387 62.558 62.300 -0.216 0.000 1.279 57 V CB 0.115 31.728 31.823 -0.350 0.000 1.118 57 V HN 0.385 nan 8.190 nan 0.000 0.504 58 G N 1.722 110.402 108.800 -0.201 0.000 2.542 58 G HA2 -0.155 3.811 3.960 0.011 0.000 0.235 58 G HA3 -0.155 3.811 3.960 0.011 0.000 0.235 58 G C -2.698 172.126 174.900 -0.127 0.000 1.286 58 G CA -0.197 44.818 45.100 -0.142 0.000 0.904 58 G HN 0.447 nan 8.290 nan 0.000 0.577 59 P HA 0.286 nan 4.420 nan 0.000 0.268 59 P C -0.333 176.929 177.300 -0.064 0.000 1.205 59 P CA 0.352 63.418 63.100 -0.057 0.000 0.771 59 P CB 0.417 32.106 31.700 -0.017 0.000 0.858 60 R N 2.250 122.707 120.500 -0.071 0.000 2.687 60 R HA 0.345 4.691 4.340 0.011 0.000 0.264 60 R C -0.650 175.596 176.300 -0.090 0.000 1.715 60 R CA -0.982 55.077 56.100 -0.069 0.000 1.633 60 R CB -0.454 29.801 30.300 -0.075 0.000 1.353 60 R HN 0.236 nan 8.270 nan 0.000 0.653 61 L N 2.038 123.206 121.223 -0.092 0.000 2.455 61 L HA 0.291 4.637 4.340 0.011 0.000 0.272 61 L C 0.317 177.117 176.870 -0.116 0.000 1.174 61 L CA 0.243 54.985 54.840 -0.163 0.000 0.869 61 L CB 0.718 42.734 42.059 -0.073 0.000 1.130 61 L HN 0.666 nan 8.230 nan 0.000 0.474 62 A N 4.056 126.778 122.820 -0.164 0.000 2.540 62 A HA 0.438 4.764 4.320 0.011 0.000 0.239 62 A C 1.422 178.983 177.584 -0.037 0.000 1.061 62 A CA 0.476 52.461 52.037 -0.087 0.000 0.758 62 A CB -0.677 18.259 19.000 -0.106 0.000 0.991 62 A HN 1.963 nan 8.150 nan 0.000 0.502 63 G N 1.162 109.958 108.800 -0.007 0.000 2.225 63 G HA2 -0.218 3.748 3.960 0.011 0.000 0.254 63 G HA3 -0.218 3.748 3.960 0.011 0.000 0.254 63 G C 0.772 175.685 174.900 0.022 0.000 0.988 63 G CA 1.099 46.209 45.100 0.016 0.000 0.625 63 G HN 2.197 nan 8.290 nan 0.000 0.527 64 S N -0.310 115.397 115.700 0.012 0.000 2.655 64 S HA 0.542 5.018 4.470 0.011 0.000 0.265 64 S C 1.169 175.776 174.600 0.012 0.000 1.240 64 S CA 0.952 59.157 58.200 0.009 0.000 0.986 64 S CB 1.723 64.925 63.200 0.002 0.000 0.985 64 S HN 1.124 nan 8.310 nan 0.000 0.562 65 E N 0.170 120.374 120.200 0.007 0.000 2.204 65 E HA -0.177 4.180 4.350 0.011 0.000 0.195 65 E C 1.745 178.353 176.600 0.014 0.000 0.990 65 E CA 1.688 58.095 56.400 0.012 0.000 0.821 65 E CB -0.941 28.762 29.700 0.006 0.000 0.750 65 E HN 0.760 nan 8.360 nan 0.000 0.477 66 Q N 0.302 120.104 119.800 0.003 0.000 2.378 66 Q HA 0.037 4.384 4.340 0.011 0.000 0.205 66 Q C 1.807 177.810 176.000 0.006 0.000 0.954 66 Q CA 1.306 57.107 55.803 -0.004 0.000 0.901 66 Q CB -0.335 28.389 28.738 -0.023 0.000 0.981 66 Q HN 0.500 nan 8.270 nan 0.000 0.483 67 D N 1.023 121.432 120.400 0.015 0.000 2.087 67 D HA -0.230 4.416 4.640 0.011 0.000 0.192 67 D C 1.678 178.022 176.300 0.073 0.000 0.993 67 D CA 1.382 55.403 54.000 0.035 0.000 0.828 67 D CB 0.056 40.874 40.800 0.030 0.000 0.968 67 D HN 0.208 nan 8.370 nan 0.000 0.448 68 K N -0.013 120.434 120.400 0.079 0.000 2.097 68 K HA -0.099 4.228 4.320 0.011 0.000 0.206 68 K C 2.173 178.821 176.600 0.079 0.000 1.049 68 K CA 1.173 57.517 56.287 0.094 0.000 0.933 68 K CB -0.052 32.499 32.500 0.084 0.000 0.717 68 K HN 0.031 nan 8.250 nan 0.000 0.442 69 V N 1.386 121.337 119.914 0.062 0.000 2.332 69 V HA -0.292 3.835 4.120 0.011 0.000 0.248 69 V C 2.488 178.646 176.094 0.107 0.000 1.055 69 V CA 2.102 64.443 62.300 0.067 0.000 1.038 69 V CB -0.862 30.981 31.823 0.033 0.000 0.651 69 V HN 0.525 nan 8.190 nan 0.000 0.450 70 A N -0.412 122.456 122.820 0.080 0.000 1.898 70 A HA -0.124 4.202 4.320 0.011 0.000 0.216 70 A C 2.395 180.117 177.584 0.229 0.000 1.181 70 A CA 1.869 53.972 52.037 0.111 0.000 0.620 70 A CB -0.634 18.379 19.000 0.021 0.000 0.819 70 A HN 0.326 nan 8.150 nan 0.000 0.442 71 V N 0.727 120.735 119.914 0.157 0.000 2.295 71 V HA -0.252 3.874 4.120 0.011 0.000 0.246 71 V C 2.167 178.321 176.094 0.100 0.000 1.049 71 V CA 2.380 64.760 62.300 0.133 0.000 1.024 71 V CB -0.783 31.115 31.823 0.126 0.000 0.648 71 V HN 0.495 nan 8.190 nan 0.000 0.447 72 D N -1.396 119.062 120.400 0.096 0.000 2.144 72 D HA -0.204 4.443 4.640 0.011 0.000 0.200 72 D C 1.702 178.056 176.300 0.089 0.000 0.978 72 D CA 1.305 55.340 54.000 0.058 0.000 0.833 72 D CB -0.288 40.544 40.800 0.054 0.000 0.961 72 D HN 0.698 nan 8.370 nan 0.000 0.470 73 W N 1.949 123.237 121.300 -0.020 0.000 2.358 73 W HA -0.145 4.525 4.660 0.016 0.000 0.303 73 W C 2.265 178.770 176.519 -0.022 0.000 1.208 73 W CA 2.298 59.631 57.345 -0.020 0.000 1.274 73 W CB -0.179 29.268 29.460 -0.021 0.000 1.138 73 W HN -0.057 nan 8.180 nan 0.000 0.515 74 A N 0.503 123.361 122.820 0.064 0.000 1.897 74 A HA -0.124 4.202 4.320 0.011 0.000 0.215 74 A C 1.962 179.382 177.584 -0.274 0.000 1.181 74 A CA 1.671 53.568 52.037 -0.232 0.000 0.620 74 A CB -0.906 18.177 19.000 0.138 0.000 0.821 74 A HN 0.309 nan 8.150 nan 0.000 0.443 75 I N 0.190 120.674 120.570 -0.143 0.000 2.163 75 I HA -0.284 3.893 4.170 0.011 0.000 0.243 75 I C 2.953 178.976 176.117 -0.157 0.000 1.085 75 I CA 1.675 62.899 61.300 -0.126 0.000 1.347 75 I CB -1.522 36.429 38.000 -0.082 0.000 1.044 75 I HN 0.376 nan 8.210 nan 0.000 0.408 76 A N 0.545 123.252 122.820 -0.190 0.000 1.902 76 A HA -0.254 4.073 4.320 0.011 0.000 0.217 76 A C 2.342 179.770 177.584 -0.261 0.000 1.181 76 A CA 2.041 53.966 52.037 -0.187 0.000 0.623 76 A CB -0.475 18.428 19.000 -0.162 0.000 0.818 76 A HN 0.300 nan 8.150 nan 0.000 0.443 77 K N 0.086 120.202 120.400 -0.473 0.000 2.025 77 K HA 0.007 4.333 4.320 0.011 0.000 0.207 77 K C 1.732 178.183 176.600 -0.249 0.000 1.049 77 K CA 1.481 57.465 56.287 -0.504 0.000 0.933 77 K CB -0.575 31.318 32.500 -1.012 0.000 0.714 77 K HN 0.447 nan 8.250 nan 0.000 0.438 78 L N 0.452 121.562 121.223 -0.190 0.000 2.093 78 L HA -0.179 4.168 4.340 0.011 0.000 0.208 78 L C 2.587 179.525 176.870 0.114 0.000 1.085 78 L CA 1.366 56.236 54.840 0.050 0.000 0.755 78 L CB -0.444 41.588 42.059 -0.045 0.000 0.904 78 L HN 0.289 nan 8.230 nan 0.000 0.435 79 Q N -0.307 119.491 119.800 -0.002 0.000 2.084 79 Q HA -0.206 4.141 4.340 0.011 0.000 0.202 79 Q C 2.459 178.438 176.000 -0.035 0.000 0.978 79 Q CA 1.945 57.747 55.803 -0.001 0.000 0.844 79 Q CB -0.216 28.505 28.738 -0.027 0.000 0.898 79 Q HN 0.606 nan 8.270 nan 0.000 0.426 80 S N 0.339 115.996 115.700 -0.072 0.000 2.423 80 S HA -0.066 4.410 4.470 0.011 0.000 0.231 80 S C 1.753 176.292 174.600 -0.102 0.000 1.014 80 S CA 0.684 58.833 58.200 -0.085 0.000 0.965 80 S CB -0.215 62.923 63.200 -0.102 0.000 0.785 80 S HN 0.320 nan 8.310 nan 0.000 0.495 81 L N 0.913 122.068 121.223 -0.114 0.000 2.599 81 L HA 0.307 4.653 4.340 0.011 0.000 0.230 81 L C 1.808 178.471 176.870 -0.345 0.000 1.141 81 L CA 0.378 55.087 54.840 -0.219 0.000 0.877 81 L CB -0.602 41.325 42.059 -0.221 0.000 1.009 81 L HN 0.611 nan 8.230 nan 0.000 0.447 82 G N -0.468 108.205 108.800 -0.211 0.000 2.136 82 G HA2 -0.287 3.680 3.960 0.011 0.000 0.242 82 G HA3 -0.287 3.680 3.960 0.011 0.000 0.242 82 G C 0.144 174.927 174.900 -0.196 0.000 0.989 82 G CA -0.518 44.470 45.100 -0.186 0.000 0.682 82 G HN 0.115 nan 8.290 nan 0.000 0.522 83 F N 1.051 120.983 119.950 -0.029 0.000 2.589 83 F HA 0.230 4.763 4.527 0.010 0.000 0.352 83 F C 1.768 177.574 175.800 0.009 0.000 1.168 83 F CA 0.466 58.460 58.000 -0.010 0.000 1.353 83 F CB 0.484 39.473 39.000 -0.019 0.000 1.116 83 F HN 0.028 nan 8.300 nan 0.000 0.608 84 D N 1.019 121.559 120.400 0.233 0.000 2.144 84 D HA -0.063 4.584 4.640 0.011 0.000 0.200 84 D C 0.548 176.934 176.300 0.143 0.000 0.978 84 D CA 1.404 55.489 54.000 0.142 0.000 0.833 84 D CB 0.178 41.053 40.800 0.125 0.000 0.961 84 D HN 0.425 nan 8.370 nan 0.000 0.470 85 R N -0.310 120.302 120.500 0.188 0.000 2.686 85 R HA 0.609 4.955 4.340 0.011 0.000 0.283 85 R C -1.221 175.214 176.300 0.226 0.000 0.978 85 R CA -0.626 55.603 56.100 0.215 0.000 0.897 85 R CB 3.179 33.640 30.300 0.268 0.000 1.192 85 R HN -0.244 nan 8.270 nan 0.000 0.457 86 V N 3.484 123.539 119.914 0.235 0.000 2.612 86 V HA 0.513 4.639 4.120 0.011 0.000 0.301 86 V C -1.393 174.828 176.094 0.211 0.000 1.059 86 V CA -0.844 61.524 62.300 0.112 0.000 0.886 86 V CB 1.331 33.184 31.823 0.050 0.000 1.007 86 V HN 0.837 nan 8.190 nan 0.000 0.426 87 Y N 2.745 123.036 120.300 -0.014 0.000 2.725 87 Y HA 0.841 5.398 4.550 0.011 0.000 0.333 87 Y C -0.964 174.940 175.900 0.007 0.000 1.242 87 Y CA -1.723 56.375 58.100 -0.003 0.000 1.059 87 Y CB 1.527 39.999 38.460 0.020 0.000 1.306 87 Y HN 0.603 nan 8.280 nan 0.000 0.454 88 K N 0.078 120.577 120.400 0.166 0.000 2.482 88 K HA 0.782 5.108 4.320 0.011 0.000 0.257 88 K C -1.688 175.086 176.600 0.290 0.000 0.969 88 K CA -0.939 55.420 56.287 0.120 0.000 0.842 88 K CB 3.244 35.744 32.500 0.000 0.000 1.359 88 K HN 0.813 nan 8.250 nan 0.000 0.441 89 E N 1.595 122.004 120.200 0.348 0.000 2.256 89 E HA 0.332 4.688 4.350 0.011 0.000 0.268 89 E C -2.675 174.109 176.600 0.306 0.000 0.877 89 E CA -2.329 54.275 56.400 0.340 0.000 0.757 89 E CB 2.675 32.557 29.700 0.304 0.000 1.183 89 E HN 0.458 nan 8.360 nan 0.000 0.418 90 P HA 0.150 nan 4.420 nan 0.000 0.278 90 P C -0.676 176.554 177.300 -0.117 0.000 1.238 90 P CA -0.328 62.659 63.100 -0.187 0.000 0.794 90 P CB 1.102 32.720 31.700 -0.136 0.000 0.955 91 V N 2.414 122.198 119.914 -0.216 0.000 2.623 91 V HA 0.228 4.354 4.120 0.011 0.000 0.304 91 V C 0.259 176.283 176.094 -0.116 0.000 1.054 91 V CA -0.479 61.767 62.300 -0.089 0.000 0.882 91 V CB 1.955 33.765 31.823 -0.022 0.000 1.002 91 V HN 0.494 nan 8.190 nan 0.000 0.424 92 T N 4.949 119.465 114.554 -0.062 0.000 2.870 92 T HA 0.472 4.829 4.350 0.011 0.000 0.300 92 T C -0.100 174.581 174.700 -0.033 0.000 0.989 92 T CA -0.092 61.979 62.100 -0.049 0.000 1.139 92 T CB 0.937 69.791 68.868 -0.024 0.000 0.920 92 T HN 0.831 nan 8.240 nan 0.000 0.537 93 V N 2.050 121.945 119.914 -0.030 0.000 2.789 93 V HA 0.795 4.921 4.120 0.011 0.000 0.311 93 V C -2.827 173.271 176.094 0.006 0.000 1.073 93 V CA -2.965 59.325 62.300 -0.015 0.000 0.921 93 V CB 2.078 33.886 31.823 -0.024 0.000 1.009 93 V HN 0.556 nan 8.190 nan 0.000 0.426 94 P HA 0.390 nan 4.420 nan 0.000 0.274 94 P C -0.841 176.505 177.300 0.076 0.000 1.246 94 P CA -0.288 62.844 63.100 0.053 0.000 0.795 94 P CB 1.542 33.280 31.700 0.063 0.000 1.006 95 V N 1.856 121.835 119.914 0.108 0.000 2.376 95 V HA 0.352 4.478 4.120 0.011 0.000 0.287 95 V C -0.822 175.403 176.094 0.219 0.000 1.015 95 V CA -0.225 62.151 62.300 0.127 0.000 0.834 95 V CB 1.170 33.037 31.823 0.073 0.000 1.001 95 V HN 0.673 nan 8.190 nan 0.000 0.428 96 W N 5.434 126.756 121.300 0.037 0.000 2.839 96 W HA 0.703 5.365 4.660 0.003 0.000 0.334 96 W C -0.439 176.118 176.519 0.063 0.000 1.064 96 W CA -0.566 56.817 57.345 0.063 0.000 1.236 96 W CB 1.830 31.348 29.460 0.097 0.000 1.405 96 W HN 0.329 nan 8.180 nan 0.000 0.478 97 R N 4.197 124.341 120.500 -0.594 0.000 2.437 97 R HA 0.502 4.849 4.340 0.011 0.000 0.310 97 R C -0.457 175.196 176.300 -1.077 0.000 0.955 97 R CA -1.111 54.629 56.100 -0.599 0.000 0.851 97 R CB 1.798 31.916 30.300 -0.302 0.000 1.161 97 R HN 0.662 nan 8.270 nan 0.000 0.446 98 R N 1.044 121.017 120.500 -0.878 0.000 2.298 98 R HA 0.452 4.799 4.340 0.011 0.000 0.310 98 R C 0.533 176.646 176.300 -0.312 0.000 1.068 98 R CA 0.263 55.955 56.100 -0.681 0.000 0.957 98 R CB 0.807 30.949 30.300 -0.263 0.000 1.003 98 R HN 0.857 nan 8.270 nan 0.000 0.454 99 G N 3.887 112.554 108.800 -0.222 0.000 3.019 99 G HA2 0.247 4.213 3.960 0.011 0.000 0.152 99 G HA3 0.247 4.213 3.960 0.011 0.000 0.152 99 G C -0.288 174.581 174.900 -0.051 0.000 1.320 99 G CA -0.711 44.320 45.100 -0.115 0.000 1.013 99 G HN 0.435 nan 8.290 nan 0.000 0.593 100 I N 1.396 121.950 120.570 -0.027 0.000 2.754 100 I HA 0.429 4.605 4.170 0.011 0.000 0.285 100 I C 0.689 176.816 176.117 0.016 0.000 1.166 100 I CA -0.698 60.600 61.300 -0.004 0.000 1.417 100 I CB 0.658 38.657 38.000 -0.003 0.000 1.382 100 I HN 0.435 nan 8.210 nan 0.000 0.588 101 A N 7.054 129.888 122.820 0.023 0.000 2.411 101 A HA 0.695 5.021 4.320 0.011 0.000 0.285 101 A C -0.446 177.154 177.584 0.027 0.000 1.129 101 A CA -0.741 51.318 52.037 0.036 0.000 0.736 101 A CB 0.883 19.913 19.000 0.050 0.000 1.186 101 A HN 0.697 nan 8.150 nan 0.000 0.445 102 K N 1.024 121.439 120.400 0.024 0.000 2.482 102 K HA 0.780 5.106 4.320 0.011 0.000 0.251 102 K C -0.832 175.778 176.600 0.017 0.000 0.936 102 K CA -0.426 55.872 56.287 0.018 0.000 0.791 102 K CB 2.643 35.151 32.500 0.013 0.000 1.213 102 K HN 0.947 nan 8.250 nan 0.000 0.428 103 A N 1.225 124.052 122.820 0.012 0.000 2.539 103 A HA 0.814 5.140 4.320 0.011 0.000 0.296 103 A C -1.156 176.427 177.584 -0.001 0.000 1.073 103 A CA -0.687 51.353 52.037 0.005 0.000 0.700 103 A CB 1.678 20.680 19.000 0.003 0.000 1.296 103 A HN 0.687 nan 8.150 nan 0.000 0.405 104 S N 0.341 116.036 115.700 -0.007 0.000 2.596 104 S HA 0.748 5.224 4.470 0.011 0.000 0.270 104 S C -0.938 173.651 174.600 -0.019 0.000 1.155 104 S CA -0.648 57.547 58.200 -0.009 0.000 0.827 104 S CB 0.725 63.925 63.200 -0.001 0.000 1.130 104 S HN 0.715 nan 8.310 nan 0.000 0.467 105 I N 2.121 122.680 120.570 -0.018 0.000 2.371 105 I HA 0.227 4.403 4.170 0.011 0.000 0.290 105 I C 0.716 176.824 176.117 -0.015 0.000 1.028 105 I CA -0.598 60.687 61.300 -0.025 0.000 1.345 105 I CB 0.877 38.867 38.000 -0.017 0.000 1.407 105 I HN 0.646 nan 8.210 nan 0.000 0.501 106 L N 3.982 125.189 121.223 -0.027 0.000 2.298 106 L HA 0.164 4.510 4.340 0.011 0.000 0.209 106 L C 0.837 177.682 176.870 -0.043 0.000 1.084 106 L CA 0.607 55.432 54.840 -0.025 0.000 0.816 106 L CB 0.021 42.066 42.059 -0.025 0.000 0.967 106 L HN 0.622 nan 8.230 nan 0.000 0.460 107 S N -1.662 113.994 115.700 -0.072 0.000 2.537 107 S HA 0.360 4.837 4.470 0.011 0.000 0.271 107 S C -2.289 172.201 174.600 -0.184 0.000 1.148 107 S CA -0.952 57.169 58.200 -0.132 0.000 0.868 107 S CB 1.780 64.911 63.200 -0.115 0.000 1.115 107 S HN -0.225 nan 8.310 nan 0.000 0.461 108 P HA 0.175 nan 4.420 nan 0.000 0.220 108 P C -0.328 176.574 177.300 -0.664 0.000 1.152 108 P CA 0.782 63.504 63.100 -0.630 0.000 0.812 108 P CB -0.081 30.988 31.700 -1.052 0.000 0.792 109 F N 0.857 120.799 119.950 -0.013 0.000 2.434 109 F HA 0.464 4.995 4.527 0.008 0.000 0.355 109 F C -2.463 173.329 175.800 -0.013 0.000 1.115 109 F CA -3.474 54.520 58.000 -0.011 0.000 1.010 109 F CB 0.765 39.759 39.000 -0.010 0.000 1.234 109 F HN -0.268 nan 8.300 nan 0.000 0.439 110 P HA 0.237 nan 4.420 nan 0.000 0.271 110 P C -0.858 176.483 177.300 0.069 0.000 1.220 110 P CA -0.074 63.065 63.100 0.065 0.000 0.768 110 P CB 0.735 32.460 31.700 0.042 0.000 0.848 111 Q N 2.956 122.784 119.800 0.046 0.000 2.472 111 Q HA 0.373 4.719 4.340 0.011 0.000 0.281 111 Q C -2.825 173.186 176.000 0.018 0.000 0.997 111 Q CA -2.092 53.733 55.803 0.036 0.000 0.828 111 Q CB 2.182 30.947 28.738 0.045 0.000 1.443 111 Q HN 0.227 nan 8.270 nan 0.000 0.390 112 P HA 0.235 nan 4.420 nan 0.000 0.275 112 P C -0.884 176.420 177.300 0.006 0.000 1.228 112 P CA -0.003 63.103 63.100 0.010 0.000 0.786 112 P CB 0.580 32.287 31.700 0.011 0.000 0.927 113 L N 1.417 122.642 121.223 0.002 0.000 2.319 113 L HA 0.582 4.928 4.340 0.011 0.000 0.267 113 L C -0.369 176.508 176.870 0.011 0.000 1.011 113 L CA -1.244 53.596 54.840 0.000 0.000 0.818 113 L CB 1.932 43.982 42.059 -0.016 0.000 1.316 113 L HN 0.012 nan 8.230 nan 0.000 0.432 114 V N 2.419 122.344 119.914 0.018 0.000 2.357 114 V HA 0.514 4.640 4.120 0.011 0.000 0.284 114 V C -0.388 175.727 176.094 0.034 0.000 1.018 114 V CA -0.445 61.871 62.300 0.027 0.000 0.841 114 V CB 1.952 33.794 31.823 0.032 0.000 0.991 114 V HN 0.454 nan 8.190 nan 0.000 0.437 115 V N 4.721 124.655 119.914 0.034 0.000 3.040 115 V HA 0.849 4.976 4.120 0.011 0.000 0.312 115 V C -0.516 175.605 176.094 0.046 0.000 1.115 115 V CA -0.021 62.303 62.300 0.040 0.000 0.998 115 V CB 2.878 34.721 31.823 0.032 0.000 1.042 115 V HN 0.896 nan 8.190 nan 0.000 0.433 116 T N 3.371 117.956 114.554 0.051 0.000 2.916 116 T HA 0.738 5.094 4.350 0.011 0.000 0.305 116 T C -0.438 174.299 174.700 0.062 0.000 1.119 116 T CA 0.232 62.366 62.100 0.056 0.000 1.008 116 T CB 1.437 70.330 68.868 0.043 0.000 1.129 116 T HN 1.466 nan 8.240 nan 0.000 0.480 117 A N 3.937 126.822 122.820 0.108 0.000 2.498 117 A HA 0.550 4.877 4.320 0.011 0.000 0.239 117 A C 0.364 177.961 177.584 0.022 0.000 1.068 117 A CA -0.201 51.917 52.037 0.135 0.000 0.766 117 A CB -0.209 18.987 19.000 0.326 0.000 1.003 117 A HN 0.857 nan 8.150 nan 0.000 0.497 118 L N 1.937 123.121 121.223 -0.064 0.000 2.456 118 L HA 0.265 4.611 4.340 0.011 0.000 0.272 118 L C 1.399 178.006 176.870 -0.439 0.000 1.189 118 L CA -0.202 54.495 54.840 -0.237 0.000 0.846 118 L CB 0.187 42.123 42.059 -0.205 0.000 1.111 118 L HN 0.882 nan 8.230 nan 0.000 0.475 119 G N 1.001 109.392 108.800 -0.682 0.000 2.254 119 G HA2 0.336 4.302 3.960 0.011 0.000 0.253 119 G HA3 0.336 4.302 3.960 0.011 0.000 0.253 119 G C 0.956 175.278 174.900 -0.963 0.000 1.246 119 G CA 0.431 44.974 45.100 -0.927 0.000 0.946 119 G HN 1.089 nan 8.290 nan 0.000 0.474 120 G N 1.189 108.855 108.800 -1.890 0.000 2.175 120 G HA2 -0.231 3.735 3.960 0.011 0.000 0.244 120 G HA3 -0.231 3.735 3.960 0.011 0.000 0.244 120 G C 0.837 175.471 174.900 -0.443 0.000 0.982 120 G CA 0.592 44.954 45.100 -1.230 0.000 0.641 120 G HN 1.498 nan 8.290 nan 0.000 0.527 121 S N 0.759 116.317 115.700 -0.238 0.000 2.558 121 S HA 0.445 4.921 4.470 0.011 0.000 0.288 121 S C 1.286 176.186 174.600 0.501 0.000 1.318 121 S CA 0.071 58.406 58.200 0.225 0.000 1.056 121 S CB -0.111 63.217 63.200 0.213 0.000 0.853 121 S HN 1.274 nan 8.310 nan 0.000 0.505 122 I N 2.489 123.326 120.570 0.445 0.000 3.004 122 I HA 0.597 4.773 4.170 0.011 0.000 0.287 122 I C 0.547 176.803 176.117 0.232 0.000 1.144 122 I CA -0.862 60.612 61.300 0.289 0.000 1.353 122 I CB 0.204 38.268 38.000 0.107 0.000 1.417 122 I HN 0.626 nan 8.210 nan 0.000 0.602 123 A N 2.998 125.913 122.820 0.158 0.000 2.366 123 A HA 0.466 4.792 4.320 0.011 0.000 0.249 123 A C 0.567 178.200 177.584 0.081 0.000 1.084 123 A CA 0.036 52.138 52.037 0.107 0.000 0.794 123 A CB -0.108 18.929 19.000 0.062 0.000 1.034 123 A HN 0.903 nan 8.150 nan 0.000 0.491 124 T N 0.112 114.706 114.554 0.067 0.000 2.860 124 T HA 0.481 4.837 4.350 0.011 0.000 0.299 124 T C -2.419 172.301 174.700 0.033 0.000 1.045 124 T CA -1.198 60.932 62.100 0.049 0.000 1.071 124 T CB -0.199 68.695 68.868 0.044 0.000 0.985 124 T HN 0.458 nan 8.240 nan 0.000 0.537 125 P HA 0.205 nan 4.420 nan 0.000 0.266 125 P C 0.790 178.099 177.300 0.014 0.000 1.193 125 P CA -0.137 62.973 63.100 0.016 0.000 0.770 125 P CB 0.123 31.831 31.700 0.013 0.000 0.836 126 A N 2.655 125.482 122.820 0.010 0.000 1.908 126 A HA -0.232 4.094 4.320 0.011 0.000 0.218 126 A C 2.397 179.985 177.584 0.007 0.000 1.181 126 A CA 2.444 54.486 52.037 0.008 0.000 0.627 126 A CB -1.874 17.129 19.000 0.005 0.000 0.818 126 A HN 0.587 nan 8.150 nan 0.000 0.445 127 Q N -1.157 118.647 119.800 0.007 0.000 2.297 127 Q HA 0.320 4.666 4.340 0.011 0.000 0.208 127 Q C 1.730 177.734 176.000 0.007 0.000 0.981 127 Q CA 1.903 57.710 55.803 0.006 0.000 0.876 127 Q CB -1.441 27.300 28.738 0.005 0.000 0.921 127 Q HN 2.490 nan 8.270 nan 0.000 0.446 128 G N -1.632 107.174 108.800 0.010 0.000 2.663 128 G HA2 0.201 4.168 3.960 0.011 0.000 0.686 128 G HA3 0.201 4.168 3.960 0.011 0.000 0.686 128 G C -1.000 173.908 174.900 0.013 0.000 1.288 128 G CA -0.244 44.862 45.100 0.011 0.000 0.836 128 G HN 1.233 nan 8.290 nan 0.000 0.584 129 L N 0.815 122.047 121.223 0.015 0.000 2.406 129 L HA 0.815 5.161 4.340 0.011 0.000 0.270 129 L C -0.100 176.778 176.870 0.013 0.000 0.982 129 L CA -0.480 54.370 54.840 0.017 0.000 0.843 129 L CB 1.776 43.850 42.059 0.024 0.000 1.225 129 L HN 0.877 nan 8.230 nan 0.000 0.412 130 S N 3.510 119.216 115.700 0.009 0.000 2.532 130 S HA 1.007 5.483 4.470 0.011 0.000 0.299 130 S C -0.825 173.778 174.600 0.005 0.000 1.105 130 S CA -0.295 57.907 58.200 0.004 0.000 1.018 130 S CB 1.803 65.002 63.200 -0.000 0.000 1.021 130 S HN 0.938 nan 8.310 nan 0.000 0.483 131 A N 1.913 124.735 122.820 0.004 0.000 2.605 131 A HA 0.745 5.071 4.320 0.011 0.000 0.294 131 A C -0.456 177.130 177.584 0.003 0.000 1.062 131 A CA -0.820 51.221 52.037 0.008 0.000 0.682 131 A CB 0.784 19.797 19.000 0.021 0.000 1.278 131 A HN 0.537 nan 8.150 nan 0.000 0.410 132 T N 2.054 116.611 114.554 0.005 0.000 2.919 132 T HA 0.457 4.814 4.350 0.011 0.000 0.302 132 T C 0.690 175.403 174.700 0.023 0.000 1.031 132 T CA 0.553 62.654 62.100 0.003 0.000 1.127 132 T CB -0.201 68.667 68.868 0.000 0.000 0.952 132 T HN 0.807 nan 8.240 nan 0.000 0.540 133 I N -0.019 120.564 120.570 0.021 0.000 2.783 133 I HA 0.792 4.968 4.170 0.011 0.000 0.312 133 I C -0.879 175.278 176.117 0.066 0.000 0.988 133 I CA -1.063 60.275 61.300 0.063 0.000 1.182 133 I CB 1.244 39.279 38.000 0.057 0.000 1.368 133 I HN 0.220 nan 8.210 nan 0.000 0.511 134 V N 4.071 124.050 119.914 0.108 0.000 2.531 134 V HA 0.467 4.594 4.120 0.011 0.000 0.301 134 V C -0.077 175.973 176.094 -0.073 0.000 1.034 134 V CA -0.640 61.654 62.300 -0.011 0.000 0.865 134 V CB 1.465 33.290 31.823 0.003 0.000 0.995 134 V HN 0.794 nan 8.190 nan 0.000 0.424 135 R N 3.359 123.722 120.500 -0.228 0.000 2.349 135 R HA 0.637 4.983 4.340 0.011 0.000 0.299 135 R C -1.729 174.139 176.300 -0.720 0.000 1.027 135 R CA -0.249 55.709 56.100 -0.237 0.000 0.958 135 R CB 0.800 31.064 30.300 -0.059 0.000 1.047 135 R HN 0.539 nan 8.270 nan 0.000 0.468 136 F N 2.010 121.857 119.950 -0.173 0.000 2.540 136 F HA 0.227 4.759 4.527 0.009 0.000 0.317 136 F C 0.819 176.492 175.800 -0.211 0.000 1.104 136 F CA -0.824 57.087 58.000 -0.150 0.000 0.913 136 F CB 2.029 40.961 39.000 -0.113 0.000 1.170 136 F HN 0.554 nan 8.300 nan 0.000 0.450 137 D N 0.341 120.734 120.400 -0.012 0.000 2.144 137 D HA -0.055 4.591 4.640 0.011 0.000 0.199 137 D C 0.897 177.160 176.300 -0.062 0.000 0.984 137 D CA 1.642 55.603 54.000 -0.064 0.000 0.834 137 D CB 0.082 40.858 40.800 -0.039 0.000 0.955 137 D HN 0.608 nan 8.370 nan 0.000 0.465 138 T N -3.562 110.984 114.554 -0.013 0.000 2.821 138 T HA 0.265 4.622 4.350 0.011 0.000 0.306 138 T C 0.721 175.391 174.700 -0.050 0.000 1.313 138 T CA -0.849 61.222 62.100 -0.048 0.000 1.012 138 T CB 1.366 70.205 68.868 -0.049 0.000 1.298 138 T HN -0.141 nan 8.240 nan 0.000 0.502 139 L N 0.967 122.137 121.223 -0.087 0.000 2.021 139 L HA -0.090 4.256 4.340 0.011 0.000 0.215 139 L C 2.666 179.468 176.870 -0.114 0.000 1.074 139 L CA 2.455 57.226 54.840 -0.114 0.000 0.760 139 L CB -0.936 41.056 42.059 -0.112 0.000 0.889 139 L HN 0.922 nan 8.230 nan 0.000 0.433 140 Q N -0.291 119.460 119.800 -0.082 0.000 2.096 140 Q HA -0.226 4.120 4.340 0.011 0.000 0.204 140 Q C 1.918 177.883 176.000 -0.058 0.000 0.982 140 Q CA 2.239 58.001 55.803 -0.068 0.000 0.850 140 Q CB -0.431 28.277 28.738 -0.050 0.000 0.901 140 Q HN 0.632 nan 8.270 nan 0.000 0.422 141 D N -0.468 119.919 120.400 -0.021 0.000 2.117 141 D HA -0.152 4.494 4.640 0.011 0.000 0.197 141 D C 1.819 178.101 176.300 -0.029 0.000 0.987 141 D CA 1.009 55.043 54.000 0.056 0.000 0.829 141 D CB -0.189 40.709 40.800 0.163 0.000 0.961 141 D HN 0.269 nan 8.370 nan 0.000 0.460 142 L N 1.238 122.285 121.223 -0.294 0.000 2.046 142 L HA -0.177 4.169 4.340 0.011 0.000 0.208 142 L C 2.128 178.735 176.870 -0.438 0.000 1.077 142 L CA 1.717 56.055 54.840 -0.837 0.000 0.747 142 L CB -0.677 40.937 42.059 -0.742 0.000 0.896 142 L HN -0.053 nan 8.230 nan 0.000 0.432 143 Q N -0.606 119.048 119.800 -0.242 0.000 2.170 143 Q HA -0.167 4.179 4.340 0.011 0.000 0.203 143 Q C 1.576 177.512 176.000 -0.106 0.000 0.976 143 Q CA 1.484 57.196 55.803 -0.152 0.000 0.858 143 Q CB -0.184 28.489 28.738 -0.108 0.000 0.907 143 Q HN 0.563 nan 8.270 nan 0.000 0.433 144 N N 0.241 118.893 118.700 -0.081 0.000 2.515 144 N HA 0.048 4.794 4.740 0.011 0.000 0.185 144 N C -0.034 175.472 175.510 -0.008 0.000 1.109 144 N CA 0.451 53.482 53.050 -0.032 0.000 0.903 144 N CB -0.055 38.431 38.487 -0.002 0.000 0.969 144 N HN 0.162 nan 8.380 nan 0.000 0.450 145 A N 0.975 123.777 122.820 -0.030 0.000 2.448 145 A HA 0.063 4.389 4.320 0.011 0.000 0.239 145 A C 0.563 178.158 177.584 0.018 0.000 1.080 145 A CA -0.153 51.909 52.037 0.041 0.000 0.779 145 A CB 0.390 19.405 19.000 0.025 0.000 1.026 145 A HN 0.090 nan 8.150 nan 0.000 0.499 146 E N 0.453 120.680 120.200 0.045 0.000 2.354 146 E HA 0.356 4.712 4.350 0.011 0.000 0.269 146 E C 0.481 177.092 176.600 0.018 0.000 1.036 146 E CA 0.222 56.638 56.400 0.027 0.000 0.876 146 E CB 1.008 30.727 29.700 0.033 0.000 1.009 146 E HN 0.736 nan 8.360 nan 0.000 0.416 147 A N 1.475 124.299 122.820 0.006 0.000 2.531 147 A HA 0.338 4.665 4.320 0.011 0.000 0.236 147 A C 1.356 178.947 177.584 0.012 0.000 1.062 147 A CA 0.848 52.886 52.037 0.003 0.000 0.760 147 A CB -0.310 18.689 19.000 -0.001 0.000 0.995 147 A HN 0.816 nan 8.150 nan 0.000 0.501 148 G N 0.930 109.738 108.800 0.013 0.000 2.234 148 G HA2 -0.310 3.656 3.960 0.011 0.000 0.260 148 G HA3 -0.310 3.656 3.960 0.011 0.000 0.260 148 G C 1.372 176.290 174.900 0.031 0.000 0.987 148 G CA 1.312 46.423 45.100 0.018 0.000 0.625 148 G HN 2.098 nan 8.290 nan 0.000 0.532 149 S N -0.263 115.463 115.700 0.044 0.000 2.453 149 S HA 0.227 4.703 4.470 0.011 0.000 0.231 149 S C 1.903 176.554 174.600 0.084 0.000 1.005 149 S CA 1.252 59.491 58.200 0.066 0.000 0.949 149 S CB -0.113 63.142 63.200 0.092 0.000 0.774 149 S HN 0.550 nan 8.310 nan 0.000 0.510 150 L N 1.125 122.396 121.223 0.080 0.000 2.700 150 L HA 0.299 4.645 4.340 0.011 0.000 0.234 150 L C -0.312 176.593 176.870 0.057 0.000 1.156 150 L CA -0.511 54.383 54.840 0.089 0.000 0.946 150 L CB -0.599 41.522 42.059 0.102 0.000 1.216 150 L HN 0.121 nan 8.230 nan 0.000 0.493 151 N N 1.703 120.428 118.700 0.041 0.000 2.292 151 N HA -0.106 4.641 4.740 0.011 0.000 0.258 151 N C 0.500 176.029 175.510 0.030 0.000 1.261 151 N CA 0.769 53.837 53.050 0.030 0.000 0.845 151 N CB 0.156 38.656 38.487 0.022 0.000 1.064 151 N HN 0.172 nan 8.380 nan 0.000 0.471 152 D N -0.902 119.514 120.400 0.027 0.000 3.046 152 D HA -0.197 4.450 4.640 0.011 0.000 0.210 152 D C -0.343 175.976 176.300 0.031 0.000 1.124 152 D CA 1.271 55.285 54.000 0.024 0.000 0.986 152 D CB -0.696 40.115 40.800 0.018 0.000 1.118 152 D HN 0.588 nan 8.370 nan 0.000 0.416 153 K N -0.246 120.180 120.400 0.044 0.000 2.306 153 K HA 0.740 5.066 4.320 0.011 0.000 0.236 153 K C 0.145 176.788 176.600 0.071 0.000 1.013 153 K CA -0.833 55.488 56.287 0.056 0.000 0.857 153 K CB 1.955 34.497 32.500 0.070 0.000 1.214 153 K HN -0.108 nan 8.250 nan 0.000 0.449 154 I N 1.632 122.251 120.570 0.082 0.000 2.354 154 I HA 0.252 4.428 4.170 0.011 0.000 0.292 154 I C -0.134 176.081 176.117 0.163 0.000 0.989 154 I CA -0.664 60.697 61.300 0.101 0.000 1.188 154 I CB 1.798 39.844 38.000 0.077 0.000 1.342 154 I HN 0.648 nan 8.210 nan 0.000 0.457 155 A N 6.460 129.391 122.820 0.184 0.000 2.388 155 A HA 0.434 4.760 4.320 0.011 0.000 0.257 155 A C -0.895 176.888 177.584 0.330 0.000 1.095 155 A CA 0.078 52.286 52.037 0.285 0.000 0.791 155 A CB 0.278 19.376 19.000 0.165 0.000 1.029 155 A HN 0.542 nan 8.150 nan 0.000 0.489 156 F N 3.403 123.480 119.950 0.212 0.000 2.500 156 F HA 0.560 5.095 4.527 0.013 0.000 0.349 156 F C -0.859 175.046 175.800 0.175 0.000 1.127 156 F CA -1.614 56.464 58.000 0.131 0.000 0.998 156 F CB 0.760 39.800 39.000 0.066 0.000 1.237 156 F HN 0.419 nan 8.300 nan 0.000 0.439 157 I N 5.784 126.301 120.570 -0.088 0.000 2.325 157 I HA 0.156 4.333 4.170 0.011 0.000 0.291 157 I C 0.288 176.096 176.117 -0.515 0.000 1.019 157 I CA -0.016 61.146 61.300 -0.231 0.000 1.302 157 I CB 1.169 39.117 38.000 -0.087 0.000 1.401 157 I HN 0.548 nan 8.210 nan 0.000 0.485 158 D N 4.870 124.888 120.400 -0.638 0.000 2.363 158 D HA 0.165 4.811 4.640 0.011 0.000 0.214 158 D C 0.803 176.969 176.300 -0.223 0.000 1.093 158 D CA -0.141 53.510 54.000 -0.581 0.000 0.837 158 D CB 0.460 40.875 40.800 -0.641 0.000 0.948 158 D HN 0.585 nan 8.370 nan 0.000 0.507 159 A N 1.010 123.727 122.820 -0.172 0.000 2.566 159 A HA 0.099 4.425 4.320 0.011 0.000 0.245 159 A C 0.352 177.883 177.584 -0.087 0.000 1.056 159 A CA 0.306 52.276 52.037 -0.113 0.000 0.757 159 A CB 0.101 19.035 19.000 -0.109 0.000 0.979 159 A HN 0.184 nan 8.150 nan 0.000 0.508 160 K N 1.722 122.084 120.400 -0.064 0.000 2.174 160 K HA 0.370 4.696 4.320 0.011 0.000 0.275 160 K C -0.366 176.203 176.600 -0.052 0.000 1.015 160 K CA -0.122 56.137 56.287 -0.046 0.000 0.933 160 K CB 1.123 33.607 32.500 -0.026 0.000 1.025 160 K HN 0.660 nan 8.250 nan 0.000 0.463 161 T N 2.945 117.468 114.554 -0.053 0.000 2.744 161 T HA 0.111 4.467 4.350 0.011 0.000 0.291 161 T C -0.234 174.461 174.700 -0.008 0.000 0.957 161 T CA -0.567 61.502 62.100 -0.053 0.000 1.002 161 T CB 0.548 69.363 68.868 -0.088 0.000 0.919 161 T HN 0.406 nan 8.240 nan 0.000 0.468 162 E N 2.189 122.405 120.200 0.027 0.000 2.392 162 E HA 0.125 4.482 4.350 0.011 0.000 0.264 162 E C 0.371 176.981 176.600 0.017 0.000 1.024 162 E CA -0.326 56.087 56.400 0.022 0.000 0.903 162 E CB 1.045 30.817 29.700 0.120 0.000 0.963 162 E HN 0.356 nan 8.360 nan 0.000 0.432 163 R N 3.041 123.469 120.500 -0.120 0.000 2.298 163 R HA 0.131 4.478 4.340 0.011 0.000 0.310 163 R C -0.781 175.310 176.300 -0.349 0.000 1.068 163 R CA -0.073 55.972 56.100 -0.091 0.000 0.957 163 R CB 0.358 30.619 30.300 -0.067 0.000 1.003 163 R HN 0.573 nan 8.270 nan 0.000 0.454 164 H N 3.210 122.354 119.070 0.124 0.000 2.974 164 H HA 0.093 4.655 4.556 0.010 0.000 0.366 164 H C 0.159 175.576 175.328 0.149 0.000 1.155 164 H CA -0.726 55.388 56.048 0.110 0.000 1.186 164 H CB 1.929 31.754 29.762 0.105 0.000 1.799 164 H HN 0.601 nan 8.280 nan 0.000 0.541 165 R N 1.033 121.656 120.500 0.204 0.000 2.105 165 R HA -0.152 4.195 4.340 0.011 0.000 0.239 165 R C 0.605 177.098 176.300 0.322 0.000 1.135 165 R CA 2.487 58.672 56.100 0.142 0.000 0.967 165 R CB 0.078 30.354 30.300 -0.039 0.000 0.861 165 R HN 0.575 nan 8.270 nan 0.000 0.442 166 D N -1.787 118.822 120.400 0.348 0.000 2.339 166 D HA 0.094 4.740 4.640 0.011 0.000 0.217 166 D C 0.924 177.424 176.300 0.333 0.000 1.050 166 D CA 0.638 54.866 54.000 0.381 0.000 0.856 166 D CB 0.305 41.239 40.800 0.225 0.000 0.922 166 D HN 0.358 nan 8.370 nan 0.000 0.518 167 G N 1.793 110.883 108.800 0.483 0.000 2.160 167 G HA2 -0.428 3.538 3.960 0.011 0.000 0.251 167 G HA3 -0.428 3.538 3.960 0.011 0.000 0.251 167 G C 0.970 175.994 174.900 0.206 0.000 1.008 167 G CA 0.746 46.151 45.100 0.509 0.000 0.724 167 G HN 0.622 nan 8.290 nan 0.000 0.514 168 K N -0.446 120.007 120.400 0.088 0.000 2.283 168 K HA 0.167 4.494 4.320 0.011 0.000 0.202 168 K C 2.440 178.997 176.600 -0.072 0.000 1.048 168 K CA 1.390 57.631 56.287 -0.076 0.000 0.948 168 K CB -0.438 31.921 32.500 -0.235 0.000 0.742 168 K HN 0.500 nan 8.250 nan 0.000 0.458 169 G N 0.940 109.786 108.800 0.076 0.000 2.418 169 G HA2 -0.325 3.641 3.960 0.011 0.000 0.217 169 G HA3 -0.325 3.641 3.960 0.011 0.000 0.217 169 G C 1.352 176.211 174.900 -0.069 0.000 1.158 169 G CA 0.851 46.006 45.100 0.092 0.000 0.771 169 G HN 0.447 nan 8.290 nan 0.000 0.545 170 Y N 1.976 122.080 120.300 -0.328 0.000 2.165 170 Y HA -0.107 4.447 4.550 0.008 0.000 0.286 170 Y C 2.752 178.464 175.900 -0.312 0.000 1.155 170 Y CA 1.712 59.483 58.100 -0.549 0.000 1.164 170 Y CB -0.479 37.234 38.460 -1.244 0.000 0.978 170 Y HN 0.130 nan 8.280 nan 0.000 0.513 171 G N -0.636 108.080 108.800 -0.140 0.000 2.450 171 G HA2 -0.259 3.708 3.960 0.011 0.000 0.220 171 G HA3 -0.259 3.708 3.960 0.011 0.000 0.220 171 G C 1.411 176.195 174.900 -0.194 0.000 1.130 171 G CA 0.974 45.984 45.100 -0.150 0.000 0.760 171 G HN 0.525 nan 8.290 nan 0.000 0.557 172 Q N -0.440 119.255 119.800 -0.176 0.000 2.187 172 Q HA -0.018 4.328 4.340 0.011 0.000 0.199 172 Q C 2.686 178.576 176.000 -0.184 0.000 0.957 172 Q CA 1.540 57.253 55.803 -0.150 0.000 0.857 172 Q CB 0.089 28.763 28.738 -0.106 0.000 0.929 172 Q HN 0.631 nan 8.270 nan 0.000 0.453 173 T N -3.456 110.946 114.554 -0.253 0.000 2.990 173 T HA 0.339 4.695 4.350 0.011 0.000 0.250 173 T C 1.841 176.343 174.700 -0.330 0.000 1.041 173 T CA 0.311 62.259 62.100 -0.253 0.000 1.010 173 T CB 0.240 68.977 68.868 -0.220 0.000 1.003 173 T HN 0.153 nan 8.240 nan 0.000 0.499 174 A N 2.663 125.175 122.820 -0.514 0.000 1.978 174 A HA -0.062 4.265 4.320 0.011 0.000 0.220 174 A C 2.636 180.035 177.584 -0.308 0.000 1.170 174 A CA 2.092 53.778 52.037 -0.584 0.000 0.636 174 A CB -1.147 17.264 19.000 -0.982 0.000 0.810 174 A HN 0.754 nan 8.150 nan 0.000 0.448 175 S N -0.424 115.132 115.700 -0.240 0.000 2.419 175 S HA 0.006 4.482 4.470 0.011 0.000 0.233 175 S C 1.973 176.487 174.600 -0.144 0.000 1.016 175 S CA 1.196 59.298 58.200 -0.163 0.000 0.974 175 S CB -1.098 62.021 63.200 -0.136 0.000 0.786 175 S HN 0.694 nan 8.310 nan 0.000 0.492 176 G N 2.017 110.727 108.800 -0.151 0.000 2.469 176 G HA2 -0.250 3.716 3.960 0.011 0.000 0.220 176 G HA3 -0.250 3.716 3.960 0.011 0.000 0.220 176 G C 1.575 176.407 174.900 -0.112 0.000 1.136 176 G CA 0.829 45.854 45.100 -0.125 0.000 0.759 176 G HN 0.556 nan 8.290 nan 0.000 0.562 177 R N 0.563 120.988 120.500 -0.126 0.000 2.062 177 R HA -0.059 4.288 4.340 0.011 0.000 0.226 177 R C 3.004 179.230 176.300 -0.123 0.000 1.125 177 R CA 1.740 57.774 56.100 -0.110 0.000 0.966 177 R CB -0.288 29.955 30.300 -0.096 0.000 0.861 177 R HN 0.479 nan 8.270 nan 0.000 0.433 178 S N 0.082 115.710 115.700 -0.120 0.000 2.383 178 S HA -0.056 4.420 4.470 0.011 0.000 0.227 178 S C 1.705 176.230 174.600 -0.125 0.000 1.026 178 S CA 0.694 58.825 58.200 -0.115 0.000 0.981 178 S CB -0.058 63.090 63.200 -0.087 0.000 0.818 178 S HN 0.377 nan 8.310 nan 0.000 0.472 179 R N 0.054 120.487 120.500 -0.112 0.000 2.509 179 R HA 0.274 4.620 4.340 0.011 0.000 0.297 179 R C 2.156 178.402 176.300 -0.090 0.000 0.951 179 R CA 0.450 56.492 56.100 -0.097 0.000 1.103 179 R CB 0.106 30.355 30.300 -0.085 0.000 1.283 179 R HN 0.489 nan 8.270 nan 0.000 0.534 180 G N 1.250 109.993 108.800 -0.094 0.000 2.418 180 G HA2 -0.257 3.709 3.960 0.011 0.000 0.217 180 G HA3 -0.257 3.709 3.960 0.011 0.000 0.217 180 G C 1.495 176.362 174.900 -0.056 0.000 1.158 180 G CA 0.911 45.961 45.100 -0.083 0.000 0.771 180 G HN 0.313 nan 8.290 nan 0.000 0.545 181 A N 0.098 122.892 122.820 -0.042 0.000 1.933 181 A HA 0.103 4.430 4.320 0.011 0.000 0.218 181 A C 2.593 180.213 177.584 0.060 0.000 1.175 181 A CA 1.746 53.800 52.037 0.028 0.000 0.628 181 A CB -0.508 18.525 19.000 0.055 0.000 0.814 181 A HN 0.246 nan 8.150 nan 0.000 0.444 182 V N -0.196 119.737 119.914 0.033 0.000 2.270 182 V HA -0.234 3.893 4.120 0.011 0.000 0.245 182 V C 3.072 179.161 176.094 -0.009 0.000 1.043 182 V CA 1.954 64.278 62.300 0.039 0.000 1.014 182 V CB -1.261 30.575 31.823 0.022 0.000 0.645 182 V HN 0.602 nan 8.190 nan 0.000 0.447 183 A N -0.094 122.697 122.820 -0.048 0.000 1.933 183 A HA -0.125 4.201 4.320 0.011 0.000 0.218 183 A C 2.392 179.914 177.584 -0.103 0.000 1.175 183 A CA 2.188 54.172 52.037 -0.087 0.000 0.628 183 A CB -0.746 18.178 19.000 -0.127 0.000 0.814 183 A HN 0.577 nan 8.150 nan 0.000 0.444 184 A N -0.188 122.580 122.820 -0.087 0.000 1.873 184 A HA 0.213 4.539 4.320 0.011 0.000 0.215 184 A C 2.514 180.082 177.584 -0.027 0.000 1.186 184 A CA 1.934 53.927 52.037 -0.074 0.000 0.616 184 A CB -1.048 17.934 19.000 -0.030 0.000 0.823 184 A HN 1.069 nan 8.150 nan 0.000 0.442 185 A N -0.019 122.801 122.820 0.001 0.000 1.940 185 A HA -0.201 4.125 4.320 0.011 0.000 0.219 185 A C 1.843 179.425 177.584 -0.005 0.000 1.176 185 A CA 1.697 53.740 52.037 0.010 0.000 0.631 185 A CB -0.600 18.415 19.000 0.025 0.000 0.814 185 A HN 0.650 nan 8.150 nan 0.000 0.446 186 E N -0.304 119.887 120.200 -0.016 0.000 2.209 186 E HA -0.165 4.192 4.350 0.011 0.000 0.196 186 E C 1.103 177.688 176.600 -0.024 0.000 0.993 186 E CA 1.060 57.447 56.400 -0.022 0.000 0.819 186 E CB -0.010 29.671 29.700 -0.032 0.000 0.745 186 E HN 0.402 nan 8.360 nan 0.000 0.477 187 K N -0.867 119.514 120.400 -0.031 0.000 2.374 187 K HA 0.134 4.461 4.320 0.011 0.000 0.196 187 K C 1.054 177.657 176.600 0.004 0.000 1.023 187 K CA 0.687 56.962 56.287 -0.021 0.000 1.103 187 K CB 1.393 33.865 32.500 -0.045 0.000 0.848 187 K HN 0.251 nan 8.250 nan 0.000 0.528 188 G N 1.013 109.815 108.800 0.005 0.000 2.179 188 G HA2 -0.250 3.716 3.960 0.011 0.000 0.220 188 G HA3 -0.250 3.716 3.960 0.011 0.000 0.220 188 G C 0.347 175.261 174.900 0.023 0.000 0.990 188 G CA -0.045 45.064 45.100 0.014 0.000 0.646 188 G HN 0.486 nan 8.290 nan 0.000 0.517 189 A N 0.247 123.084 122.820 0.028 0.000 2.483 189 A HA 0.580 4.907 4.320 0.011 0.000 0.238 189 A C 1.735 179.341 177.584 0.037 0.000 1.070 189 A CA 0.904 52.967 52.037 0.043 0.000 0.770 189 A CB 0.607 19.637 19.000 0.050 0.000 1.008 189 A HN 1.613 nan 8.150 nan 0.000 0.497 190 V N 0.236 120.175 119.914 0.041 0.000 3.647 190 V HA 0.578 4.705 4.120 0.011 0.000 0.279 190 V C 0.767 176.889 176.094 0.047 0.000 1.314 190 V CA 0.654 62.975 62.300 0.035 0.000 1.125 190 V CB -1.072 30.769 31.823 0.029 0.000 0.907 190 V HN 1.572 nan 8.190 nan 0.000 0.434 191 G N -0.499 108.337 108.800 0.060 0.000 2.523 191 G HA2 0.612 4.578 3.960 0.011 0.000 0.291 191 G HA3 0.612 4.578 3.960 0.011 0.000 0.291 191 G C -1.997 172.953 174.900 0.083 0.000 1.450 191 G CA -0.317 44.826 45.100 0.072 0.000 0.790 191 G HN 0.326 nan 8.290 nan 0.000 0.496 192 I N 0.321 120.944 120.570 0.088 0.000 2.619 192 I HA 0.705 4.882 4.170 0.011 0.000 0.292 192 I C -0.873 175.306 176.117 0.104 0.000 1.100 192 I CA -1.554 59.805 61.300 0.099 0.000 1.043 192 I CB 1.921 39.964 38.000 0.072 0.000 1.239 192 I HN 0.653 nan 8.210 nan 0.000 0.420 193 I N 6.528 127.188 120.570 0.150 0.000 2.530 193 I HA 0.639 4.815 4.170 0.011 0.000 0.297 193 I C -0.768 175.508 176.117 0.265 0.000 1.011 193 I CA -0.780 60.617 61.300 0.161 0.000 1.107 193 I CB 1.886 39.949 38.000 0.104 0.000 1.285 193 I HN 0.566 nan 8.210 nan 0.000 0.436 194 I N 1.173 121.864 120.570 0.203 0.000 2.646 194 I HA 0.558 4.735 4.170 0.011 0.000 0.299 194 I C -0.148 176.107 176.117 0.231 0.000 1.036 194 I CA -1.041 60.376 61.300 0.196 0.000 1.074 194 I CB 1.887 39.922 38.000 0.057 0.000 1.258 194 I HN 0.790 nan 8.210 nan 0.000 0.430 195 R N 3.798 124.444 120.500 0.244 0.000 2.484 195 R HA 0.151 4.498 4.340 0.011 0.000 0.293 195 R C -0.179 176.153 176.300 0.052 0.000 1.023 195 R CA 0.048 56.252 56.100 0.174 0.000 1.037 195 R CB 0.468 30.836 30.300 0.115 0.000 0.951 195 R HN 0.864 nan 8.270 nan 0.000 0.418 196 S N 4.791 120.519 115.700 0.046 0.000 2.573 196 S HA -0.037 4.440 4.470 0.011 0.000 0.297 196 S C 0.575 175.069 174.600 -0.176 0.000 1.280 196 S CA -0.104 58.075 58.200 -0.034 0.000 1.061 196 S CB 0.254 63.469 63.200 0.025 0.000 0.812 196 S HN 0.430 nan 8.310 nan 0.000 0.500 197 I N 4.265 124.726 120.570 -0.180 0.000 2.268 197 I HA 0.288 4.464 4.170 0.011 0.000 0.298 197 I C 1.030 176.994 176.117 -0.254 0.000 1.185 197 I CA 0.334 61.532 61.300 -0.170 0.000 1.548 197 I CB -1.518 36.413 38.000 -0.115 0.000 1.492 197 I HN 0.599 nan 8.210 nan 0.000 0.711 198 G N 2.524 111.108 108.800 -0.360 0.000 2.704 198 G HA2 0.453 4.419 3.960 0.011 0.000 0.293 198 G HA3 0.453 4.419 3.960 0.011 0.000 0.293 198 G C 0.316 175.172 174.900 -0.072 0.000 1.421 198 G CA -0.271 44.615 45.100 -0.355 0.000 0.870 198 G HN 0.320 nan 8.290 nan 0.000 0.492 199 T N -1.953 112.642 114.554 0.069 0.000 3.069 199 T HA 0.182 4.538 4.350 0.011 0.000 0.252 199 T C 0.573 175.315 174.700 0.070 0.000 1.053 199 T CA 0.409 62.550 62.100 0.068 0.000 0.964 199 T CB -0.161 68.769 68.868 0.104 0.000 1.005 199 T HN 0.635 nan 8.240 nan 0.000 0.532 200 D N 2.052 122.501 120.400 0.082 0.000 2.377 200 D HA 0.006 4.653 4.640 0.011 0.000 0.245 200 D C -0.039 176.353 176.300 0.154 0.000 1.196 200 D CA -0.402 53.644 54.000 0.077 0.000 0.962 200 D CB 0.511 41.343 40.800 0.053 0.000 1.127 200 D HN 0.694 nan 8.370 nan 0.000 0.471 201 H N -2.650 116.446 119.070 0.043 0.000 2.502 201 H HA 0.372 4.936 4.556 0.013 0.000 0.268 201 H C -1.017 174.345 175.328 0.057 0.000 1.177 201 H CA -0.953 55.124 56.048 0.048 0.000 0.961 201 H CB 0.037 29.819 29.762 0.033 0.000 1.737 201 H HN 0.064 nan 8.280 nan 0.000 0.569 202 D N 0.948 121.322 120.400 -0.044 0.000 2.294 202 D HA 0.202 4.849 4.640 0.011 0.000 0.250 202 D C 0.331 176.658 176.300 0.044 0.000 1.058 202 D CA -0.679 53.302 54.000 -0.031 0.000 0.950 202 D CB 1.863 42.654 40.800 -0.016 0.000 1.158 202 D HN 0.315 nan 8.370 nan 0.000 0.453 206 H N 1.526 120.622 119.070 0.044 0.000 2.552 206 H HA 0.443 5.007 4.556 0.013 0.000 0.311 206 H C 0.558 175.871 175.328 -0.024 0.000 1.071 206 H CA 0.273 56.351 56.048 0.051 0.000 1.307 206 H CB 1.724 31.558 29.762 0.119 0.000 1.416 206 H HN 0.720 nan 8.280 nan 0.000 0.464 207 T N 1.837 116.366 114.554 -0.042 0.000 2.891 207 T HA 0.603 4.959 4.350 0.011 0.000 0.294 207 T C 0.442 174.863 174.700 -0.466 0.000 1.065 207 T CA 0.476 62.385 62.100 -0.319 0.000 0.936 207 T CB 1.016 69.598 68.868 -0.476 0.000 1.415 207 T HN 0.955 nan 8.240 nan 0.000 0.572 212 Y N 1.321 121.601 120.300 -0.033 0.000 2.281 212 Y HA 0.228 4.783 4.550 0.009 0.000 0.337 212 Y C 0.863 176.751 175.900 -0.019 0.000 1.304 212 Y CA -0.167 57.919 58.100 -0.024 0.000 1.465 212 Y CB 0.682 39.134 38.460 -0.013 0.000 1.350 212 Y HN 0.489 nan 8.280 nan 0.000 0.575 213 E N 1.010 121.314 120.200 0.173 0.000 2.199 213 E HA 0.211 4.568 4.350 0.011 0.000 0.265 213 E C -1.342 175.296 176.600 0.063 0.000 0.882 213 E CA -0.837 55.612 56.400 0.082 0.000 0.759 213 E CB 0.996 30.724 29.700 0.048 0.000 1.148 213 E HN 0.599 nan 8.360 nan 0.000 0.412 214 E N 2.326 122.553 120.200 0.045 0.000 2.480 214 E HA 0.162 4.519 4.350 0.011 0.000 0.258 214 E C 0.711 177.320 176.600 0.014 0.000 0.984 214 E CA 1.923 58.338 56.400 0.025 0.000 0.930 214 E CB 0.373 30.086 29.700 0.020 0.000 0.936 214 E HN 0.785 nan 8.360 nan 0.000 0.466 215 G N 2.461 111.264 108.800 0.005 0.000 2.278 215 G HA2 -0.220 3.747 3.960 0.011 0.000 0.210 215 G HA3 -0.220 3.747 3.960 0.011 0.000 0.210 215 G C -0.229 174.669 174.900 -0.003 0.000 1.000 215 G CA -0.082 45.018 45.100 -0.000 0.000 0.635 215 G HN 0.538 nan 8.290 nan 0.000 0.495 216 V N 2.477 122.392 119.914 0.001 0.000 2.417 216 V HA 0.553 4.680 4.120 0.011 0.000 0.291 216 V C 0.835 176.915 176.094 -0.023 0.000 1.024 216 V CA -0.191 62.108 62.300 -0.001 0.000 0.861 216 V CB 1.476 33.311 31.823 0.019 0.000 0.985 216 V HN 0.302 nan 8.190 nan 0.000 0.436 217 T N 4.913 119.446 114.554 -0.036 0.000 2.800 217 T HA 0.162 4.518 4.350 0.011 0.000 0.283 217 T C 0.605 175.233 174.700 -0.120 0.000 0.999 217 T CA 0.369 62.426 62.100 -0.071 0.000 1.176 217 T CB 0.263 69.102 68.868 -0.048 0.000 0.973 217 T HN 0.980 nan 8.240 nan 0.000 0.519 218 A N 4.795 127.446 122.820 -0.281 0.000 2.488 218 A HA 0.542 4.869 4.320 0.011 0.000 0.249 218 A C 0.462 177.864 177.584 -0.303 0.000 1.083 218 A CA -0.566 51.086 52.037 -0.642 0.000 0.768 218 A CB -0.331 17.964 19.000 -1.176 0.000 1.017 218 A HN 0.917 nan 8.150 nan 0.000 0.496 219 I N -0.060 120.466 120.570 -0.073 0.000 2.785 219 I HA 0.670 4.846 4.170 0.011 0.000 0.302 219 I C -2.854 173.372 176.117 0.181 0.000 1.069 219 I CA -3.188 58.145 61.300 0.055 0.000 1.045 219 I CB 2.218 40.261 38.000 0.071 0.000 1.236 219 I HN 0.254 nan 8.210 nan 0.000 0.429 220 P HA 0.230 nan 4.420 nan 0.000 0.266 220 P C -1.028 176.356 177.300 0.140 0.000 1.195 220 P CA 0.017 63.210 63.100 0.154 0.000 0.768 220 P CB 0.710 32.473 31.700 0.106 0.000 0.838 221 A N 2.039 124.936 122.820 0.129 0.000 2.408 221 A HA 0.756 5.082 4.320 0.011 0.000 0.295 221 A C -1.079 176.535 177.584 0.050 0.000 1.040 221 A CA -0.418 51.662 52.037 0.072 0.000 0.707 221 A CB 1.344 20.355 19.000 0.018 0.000 1.235 221 A HN 0.540 nan 8.150 nan 0.000 0.418 222 A N 1.072 123.921 122.820 0.048 0.000 2.556 222 A HA 0.959 5.285 4.320 0.011 0.000 0.294 222 A C -0.249 177.363 177.584 0.046 0.000 1.091 222 A CA -0.032 52.032 52.037 0.046 0.000 0.704 222 A CB 1.432 20.466 19.000 0.058 0.000 1.300 222 A HN 2.417 nan 8.150 nan 0.000 0.406 223 A N 1.085 123.931 122.820 0.043 0.000 2.324 223 A HA 0.763 5.090 4.320 0.011 0.000 0.330 223 A C -0.045 177.584 177.584 0.075 0.000 1.165 223 A CA -0.477 51.599 52.037 0.065 0.000 0.813 223 A CB 0.238 19.275 19.000 0.063 0.000 1.197 223 A HN 1.618 nan 8.150 nan 0.000 0.484 224 I N 0.002 120.625 120.570 0.089 0.000 2.750 224 I HA 0.711 4.888 4.170 0.011 0.000 0.308 224 I C 0.422 176.600 176.117 0.102 0.000 1.016 224 I CA -0.640 60.704 61.300 0.074 0.000 1.098 224 I CB 2.037 40.054 38.000 0.029 0.000 1.279 224 I HN 0.642 nan 8.210 nan 0.000 0.454 225 S N 2.859 118.615 115.700 0.094 0.000 2.576 225 S HA 0.107 4.584 4.470 0.011 0.000 0.272 225 S C 0.760 175.426 174.600 0.111 0.000 1.352 225 S CA -0.360 57.910 58.200 0.118 0.000 1.021 225 S CB 0.724 63.981 63.200 0.096 0.000 0.887 225 S HN 0.812 nan 8.310 nan 0.000 0.542 226 N N 2.392 121.165 118.700 0.122 0.000 2.061 226 N HA -0.072 4.675 4.740 0.011 0.000 0.193 226 N C -1.002 174.573 175.510 0.107 0.000 1.030 226 N CA 1.713 54.829 53.050 0.111 0.000 0.856 226 N CB -1.695 36.859 38.487 0.112 0.000 1.023 226 N HN 0.552 nan 8.380 nan 0.000 0.424 227 P HA -0.058 nan 4.420 nan 0.000 0.217 227 P C 0.849 178.188 177.300 0.065 0.000 1.150 227 P CA 1.133 64.286 63.100 0.088 0.000 0.832 227 P CB 0.035 31.787 31.700 0.086 0.000 0.787 228 D N -0.728 119.706 120.400 0.055 0.000 2.144 228 D HA -0.088 4.558 4.640 0.011 0.000 0.200 228 D C 1.937 178.240 176.300 0.006 0.000 0.978 228 D CA 1.342 55.355 54.000 0.022 0.000 0.833 228 D CB -0.363 40.443 40.800 0.010 0.000 0.961 228 D HN 0.075 nan 8.370 nan 0.000 0.470 229 A N 1.321 124.180 122.820 0.066 0.000 1.930 229 A HA -0.166 4.161 4.320 0.011 0.000 0.217 229 A C 1.812 179.496 177.584 0.168 0.000 1.175 229 A CA 1.377 53.511 52.037 0.162 0.000 0.627 229 A CB -0.219 18.964 19.000 0.305 0.000 0.815 229 A HN 0.003 nan 8.150 nan 0.000 0.443 230 D N -0.280 120.188 120.400 0.113 0.000 2.117 230 D HA -0.142 4.504 4.640 0.011 0.000 0.197 230 D C 1.831 178.172 176.300 0.068 0.000 0.987 230 D CA 1.318 55.370 54.000 0.088 0.000 0.829 230 D CB -0.425 40.413 40.800 0.064 0.000 0.961 230 D HN 0.369 nan 8.370 nan 0.000 0.460 231 L N 0.775 122.027 121.223 0.048 0.000 2.046 231 L HA -0.084 4.263 4.340 0.011 0.000 0.208 231 L C 2.120 179.011 176.870 0.034 0.000 1.077 231 L CA 1.327 56.189 54.840 0.036 0.000 0.747 231 L CB -0.444 41.630 42.059 0.024 0.000 0.896 231 L HN -0.012 nan 8.230 nan 0.000 0.432 232 I N -0.276 120.289 120.570 -0.008 0.000 2.226 232 I HA -0.293 3.883 4.170 0.011 0.000 0.245 232 I C 2.105 178.254 176.117 0.053 0.000 1.100 232 I CA 1.114 62.384 61.300 -0.051 0.000 1.374 232 I CB -0.541 37.285 38.000 -0.290 0.000 1.057 232 I HN 0.378 nan 8.210 nan 0.000 0.413 233 N N 1.300 120.072 118.700 0.120 0.000 2.104 233 N HA -0.077 4.669 4.740 0.011 0.000 0.190 233 N C 1.012 176.572 175.510 0.083 0.000 1.024 233 N CA 1.135 54.264 53.050 0.131 0.000 0.853 233 N CB -0.472 38.092 38.487 0.128 0.000 1.008 233 N HN 0.309 nan 8.380 nan 0.000 0.424 237 K N 1.185 121.610 120.400 0.043 0.000 2.362 237 K HA 0.000 4.327 4.320 0.011 0.000 0.200 237 K C 1.357 177.979 176.600 0.037 0.000 1.046 237 K CA 0.890 57.197 56.287 0.034 0.000 0.952 237 K CB 0.039 32.559 32.500 0.034 0.000 0.753 237 K HN 0.221 nan 8.250 nan 0.000 0.466 238 R N 0.830 121.363 120.500 0.056 0.000 2.335 238 R HA -0.035 4.311 4.340 0.011 0.000 0.223 238 R C -0.288 176.034 176.300 0.037 0.000 0.940 238 R CA 0.125 56.263 56.100 0.064 0.000 1.086 238 R CB -0.012 30.363 30.300 0.125 0.000 1.073 238 R HN 0.094 nan 8.270 nan 0.000 0.504 239 D N 0.768 121.179 120.400 0.019 0.000 2.772 239 D HA -0.153 4.494 4.640 0.011 0.000 0.233 239 D C -0.999 175.294 176.300 -0.011 0.000 1.143 239 D CA 0.975 54.976 54.000 0.001 0.000 0.700 239 D CB -0.346 40.455 40.800 0.002 0.000 1.076 239 D HN -0.029 nan 8.370 nan 0.000 0.430 240 K N 0.859 121.248 120.400 -0.019 0.000 2.207 240 K HA 0.399 4.725 4.320 0.011 0.000 0.255 240 K C 0.400 176.967 176.600 -0.054 0.000 0.941 240 K CA -0.572 55.681 56.287 -0.056 0.000 0.825 240 K CB 1.148 33.583 32.500 -0.108 0.000 1.119 240 K HN 0.231 nan 8.250 nan 0.000 0.430 241 E N 1.113 121.275 120.200 -0.063 0.000 2.354 241 E HA 0.177 4.534 4.350 0.011 0.000 0.269 241 E C -0.460 176.095 176.600 -0.076 0.000 1.036 241 E CA -0.439 55.928 56.400 -0.055 0.000 0.876 241 E CB 1.173 30.845 29.700 -0.046 0.000 1.009 241 E HN 0.098 nan 8.360 nan 0.000 0.416 242 V N 3.593 123.472 119.914 -0.059 0.000 2.435 242 V HA 0.249 4.375 4.120 0.011 0.000 0.290 242 V C -0.112 175.948 176.094 -0.057 0.000 1.030 242 V CA -0.711 61.547 62.300 -0.071 0.000 0.881 242 V CB 1.672 33.454 31.823 -0.069 0.000 0.983 242 V HN 0.372 nan 8.190 nan 0.000 0.445 243 V N 6.288 126.165 119.914 -0.062 0.000 2.555 243 V HA 0.607 4.733 4.120 0.011 0.000 0.302 243 V C -0.159 175.908 176.094 -0.045 0.000 1.038 243 V CA -0.501 61.772 62.300 -0.045 0.000 0.887 243 V CB 1.705 33.502 31.823 -0.043 0.000 0.991 243 V HN 0.833 nan 8.190 nan 0.000 0.434 244 I N 0.994 121.543 120.570 -0.035 0.000 2.846 244 I HA 0.833 5.009 4.170 0.011 0.000 0.307 244 I C -0.284 175.822 176.117 -0.017 0.000 1.053 244 I CA -0.487 60.792 61.300 -0.034 0.000 1.050 244 I CB 2.408 40.378 38.000 -0.050 0.000 1.239 244 I HN 0.521 nan 8.210 nan 0.000 0.439 245 S N 3.760 119.452 115.700 -0.013 0.000 2.475 245 S HA 0.755 5.231 4.470 0.011 0.000 0.298 245 S C -0.983 173.618 174.600 0.002 0.000 1.119 245 S CA -0.541 57.657 58.200 -0.003 0.000 1.085 245 S CB 1.181 64.381 63.200 -0.001 0.000 1.028 245 S HN 0.594 nan 8.310 nan 0.000 0.489 246 L N 4.189 125.419 121.223 0.011 0.000 2.438 246 L HA 0.656 5.003 4.340 0.011 0.000 0.270 246 L C -0.925 175.961 176.870 0.026 0.000 0.972 246 L CA -0.072 54.780 54.840 0.020 0.000 0.831 246 L CB 1.946 44.021 42.059 0.028 0.000 1.273 246 L HN 0.815 nan 8.230 nan 0.000 0.405 247 E N 5.233 125.450 120.200 0.028 0.000 2.241 247 E HA 0.635 4.991 4.350 0.011 0.000 0.263 247 E C -1.979 174.645 176.600 0.040 0.000 0.882 247 E CA -0.546 55.872 56.400 0.030 0.000 0.769 247 E CB 1.317 31.029 29.700 0.020 0.000 1.185 247 E HN 0.699 nan 8.360 nan 0.000 0.415 248 L N 3.430 124.683 121.223 0.051 0.000 2.409 248 L HA 0.635 4.982 4.340 0.011 0.000 0.272 248 L C 0.134 177.037 176.870 0.054 0.000 0.980 248 L CA -1.016 53.864 54.840 0.067 0.000 0.826 248 L CB 2.185 44.309 42.059 0.108 0.000 1.268 248 L HN 0.629 nan 8.230 nan 0.000 0.407 249 G N 1.132 109.950 108.800 0.030 0.000 2.379 249 G HA2 0.710 4.676 3.960 0.011 0.000 0.327 249 G HA3 0.710 4.676 3.960 0.011 0.000 0.327 249 G C -0.647 174.230 174.900 -0.038 0.000 1.145 249 G CA -0.220 44.877 45.100 -0.004 0.000 0.905 249 G HN 0.635 nan 8.290 nan 0.000 0.466 250 S N 0.390 116.053 115.700 -0.062 0.000 2.595 250 S HA 0.707 5.183 4.470 0.011 0.000 0.270 250 S C -1.441 173.064 174.600 -0.158 0.000 1.145 250 S CA -0.907 57.169 58.200 -0.206 0.000 0.825 250 S CB 2.354 65.545 63.200 -0.015 0.000 1.107 250 S HN 0.804 nan 8.310 nan 0.000 0.461 251 E N 0.030 120.059 120.200 -0.285 0.000 2.343 251 E HA 0.577 4.933 4.350 0.011 0.000 0.278 251 E C -1.575 174.975 176.600 -0.083 0.000 0.910 251 E CA -0.671 55.653 56.400 -0.126 0.000 0.757 251 E CB 1.971 31.600 29.700 -0.118 0.000 1.218 251 E HN 0.669 nan 8.360 nan 0.000 0.435 252 R N 3.019 123.553 120.500 0.056 0.000 2.445 252 R HA 0.486 4.833 4.340 0.011 0.000 0.308 252 R C -0.957 175.389 176.300 0.077 0.000 0.961 252 R CA -0.256 55.928 56.100 0.140 0.000 0.862 252 R CB 1.057 31.475 30.300 0.197 0.000 1.144 252 R HN 0.514 nan 8.270 nan 0.000 0.447 253 R N 1.693 122.238 120.500 0.076 0.000 2.943 253 R HA 0.577 4.924 4.340 0.011 0.000 0.246 253 R C -0.023 176.312 176.300 0.059 0.000 1.201 253 R CA -0.847 55.284 56.100 0.051 0.000 1.056 253 R CB 1.341 31.662 30.300 0.034 0.000 1.243 253 R HN 0.812 nan 8.270 nan 0.000 0.498 254 G N 0.248 109.073 108.800 0.042 0.000 2.636 254 G HA2 0.072 4.038 3.960 0.011 0.000 0.246 254 G HA3 0.072 4.038 3.960 0.011 0.000 0.246 254 G C -0.483 174.440 174.900 0.038 0.000 1.216 254 G CA -0.388 44.735 45.100 0.039 0.000 0.854 254 G HN 0.500 nan 8.290 nan 0.000 0.572 255 E N -0.953 119.266 120.200 0.032 0.000 2.408 255 E HA 0.400 4.756 4.350 0.011 0.000 0.259 255 E C 0.308 176.917 176.600 0.015 0.000 1.110 255 E CA 0.163 56.578 56.400 0.024 0.000 0.929 255 E CB 1.082 30.793 29.700 0.018 0.000 0.971 255 E HN 0.395 nan 8.360 nan 0.000 0.438 256 T N -0.201 114.356 114.554 0.005 0.000 2.618 256 T HA 0.345 4.701 4.350 0.011 0.000 0.286 256 T C -1.181 173.497 174.700 -0.036 0.000 1.027 256 T CA -0.549 61.549 62.100 -0.003 0.000 1.063 256 T CB 1.634 70.508 68.868 0.011 0.000 1.440 256 T HN 0.336 nan 8.240 nan 0.000 0.505 257 T N 1.546 116.065 114.554 -0.058 0.000 2.797 257 T HA 0.675 5.031 4.350 0.011 0.000 0.279 257 T C -0.490 174.086 174.700 -0.207 0.000 0.991 257 T CA -0.454 61.541 62.100 -0.174 0.000 0.979 257 T CB 1.418 70.162 68.868 -0.206 0.000 0.943 257 T HN 0.532 nan 8.240 nan 0.000 0.444 258 S N 1.697 117.228 115.700 -0.282 0.000 2.801 258 S HA 0.840 5.316 4.470 0.011 0.000 0.312 258 S C -1.782 172.504 174.600 -0.524 0.000 1.112 258 S CA -0.576 57.509 58.200 -0.192 0.000 0.943 258 S CB 0.735 63.914 63.200 -0.036 0.000 1.269 258 S HN 0.590 nan 8.310 nan 0.000 0.558 259 Y N 0.668 121.000 120.300 0.054 0.000 2.479 259 Y HA 0.417 4.973 4.550 0.010 0.000 0.338 259 Y C -0.272 175.661 175.900 0.055 0.000 1.055 259 Y CA -1.137 56.999 58.100 0.059 0.000 1.023 259 Y CB 1.230 39.719 38.460 0.050 0.000 1.287 259 Y HN 0.526 nan 8.280 nan 0.000 0.447 260 N N 1.731 120.549 118.700 0.198 0.000 2.475 260 N HA 0.273 5.019 4.740 0.011 0.000 0.267 260 N C -0.943 174.599 175.510 0.054 0.000 1.169 260 N CA -0.035 53.076 53.050 0.102 0.000 0.947 260 N CB 1.436 39.993 38.487 0.117 0.000 1.061 260 N HN 0.303 nan 8.380 nan 0.000 0.466 261 V N 4.166 124.051 119.914 -0.048 0.000 2.398 261 V HA 0.495 4.621 4.120 0.011 0.000 0.286 261 V C 0.399 176.338 176.094 -0.257 0.000 1.026 261 V CA -0.617 61.615 62.300 -0.113 0.000 0.868 261 V CB 1.092 32.879 31.823 -0.060 0.000 0.982 261 V HN 0.458 nan 8.190 nan 0.000 0.443 262 I N 3.712 124.041 120.570 -0.402 0.000 2.545 262 I HA 0.832 5.008 4.170 0.011 0.000 0.292 262 I C -0.020 175.771 176.117 -0.544 0.000 1.040 262 I CA -0.564 60.401 61.300 -0.557 0.000 1.068 262 I CB 2.136 39.641 38.000 -0.824 0.000 1.251 262 I HN 0.692 nan 8.210 nan 0.000 0.424 263 A N 5.077 127.626 122.820 -0.451 0.000 2.454 263 A HA 0.846 5.173 4.320 0.011 0.000 0.302 263 A C -1.120 176.273 177.584 -0.317 0.000 1.079 263 A CA -0.542 51.245 52.037 -0.415 0.000 0.731 263 A CB 1.672 20.210 19.000 -0.770 0.000 1.299 263 A HN 0.727 nan 8.150 nan 0.000 0.413 264 E N 0.338 120.480 120.200 -0.096 0.000 2.272 264 E HA 0.491 4.847 4.350 0.011 0.000 0.269 264 E C -1.429 175.294 176.600 0.205 0.000 0.877 264 E CA -0.862 55.563 56.400 0.042 0.000 0.755 264 E CB 2.526 32.301 29.700 0.124 0.000 1.192 264 E HN 0.348 nan 8.360 nan 0.000 0.422 265 V N 3.267 123.311 119.914 0.215 0.000 2.385 265 V HA 0.131 4.257 4.120 0.011 0.000 0.269 265 V C 0.263 176.446 176.094 0.148 0.000 1.043 265 V CA -0.504 61.940 62.300 0.239 0.000 0.906 265 V CB 0.733 32.710 31.823 0.258 0.000 0.995 265 V HN 0.555 nan 8.190 nan 0.000 0.467 266 K N 3.840 124.316 120.400 0.126 0.000 2.448 266 K HA 0.350 4.676 4.320 0.011 0.000 0.278 266 K C 0.802 177.444 176.600 0.069 0.000 1.009 266 K CA 0.213 56.551 56.287 0.087 0.000 0.995 266 K CB 0.624 33.168 32.500 0.073 0.000 0.917 266 K HN 0.843 nan 8.250 nan 0.000 0.481 267 G N 1.450 110.275 108.800 0.040 0.000 2.508 267 G HA2 0.208 4.174 3.960 0.011 0.000 0.278 267 G HA3 0.208 4.174 3.960 0.011 0.000 0.278 267 G C 0.125 175.031 174.900 0.010 0.000 1.389 267 G CA 0.074 45.181 45.100 0.012 0.000 1.050 267 G HN 0.778 nan 8.290 nan 0.000 0.522 268 S N -2.609 113.084 115.700 -0.012 0.000 3.669 268 S HA 0.075 4.551 4.470 0.011 0.000 0.171 268 S C 2.069 176.656 174.600 -0.022 0.000 0.855 268 S CA 1.087 59.283 58.200 -0.007 0.000 1.037 268 S CB -0.165 63.036 63.200 0.003 0.000 1.477 268 S HN 0.913 nan 8.310 nan 0.000 0.854 269 T N 0.173 114.706 114.554 -0.036 0.000 3.035 269 T HA 0.250 4.607 4.350 0.011 0.000 0.268 269 T C 0.789 175.458 174.700 -0.052 0.000 1.109 269 T CA 0.675 62.751 62.100 -0.040 0.000 1.119 269 T CB -0.423 68.418 68.868 -0.045 0.000 0.900 269 T HN 0.432 nan 8.240 nan 0.000 0.503 270 K N 0.389 120.747 120.400 -0.069 0.000 3.123 270 K HA 0.588 4.914 4.320 0.011 0.000 0.209 270 K C 1.336 177.897 176.600 -0.066 0.000 1.132 270 K CA 0.027 56.266 56.287 -0.080 0.000 0.992 270 K CB 0.744 33.166 32.500 -0.131 0.000 0.773 270 K HN 0.239 nan 8.250 nan 0.000 0.458 271 A N 1.652 124.449 122.820 -0.039 0.000 2.070 271 A HA -0.181 4.146 4.320 0.011 0.000 0.220 271 A C 1.708 179.283 177.584 -0.013 0.000 1.159 271 A CA 1.711 53.735 52.037 -0.022 0.000 0.656 271 A CB -0.206 18.791 19.000 -0.005 0.000 0.800 271 A HN 0.497 nan 8.150 nan 0.000 0.453 272 D N 0.281 120.674 120.400 -0.012 0.000 2.348 272 D HA -0.073 4.573 4.640 0.011 0.000 0.216 272 D C 0.268 176.568 176.300 0.001 0.000 0.970 272 D CA 0.420 54.421 54.000 0.002 0.000 0.889 272 D CB -0.288 40.517 40.800 0.008 0.000 0.912 272 D HN 0.584 nan 8.370 nan 0.000 0.524 273 E N 0.155 120.342 120.200 -0.022 0.000 2.231 273 E HA 0.427 4.783 4.350 0.011 0.000 0.277 273 E C -0.186 176.385 176.600 -0.049 0.000 0.999 273 E CA -0.768 55.618 56.400 -0.023 0.000 0.827 273 E CB 2.016 31.685 29.700 -0.052 0.000 1.101 273 E HN 0.058 nan 8.360 nan 0.000 0.393 274 I N 2.387 122.917 120.570 -0.066 0.000 2.465 274 I HA 0.256 4.433 4.170 0.011 0.000 0.291 274 I C -0.349 175.755 176.117 -0.022 0.000 1.014 274 I CA -0.882 60.346 61.300 -0.119 0.000 1.093 274 I CB 1.523 39.302 38.000 -0.368 0.000 1.267 274 I HN 0.255 nan 8.210 nan 0.000 0.431 275 V N 6.926 126.854 119.914 0.023 0.000 2.350 275 V HA 0.368 4.495 4.120 0.011 0.000 0.276 275 V C 0.040 176.194 176.094 0.100 0.000 1.028 275 V CA -0.570 61.791 62.300 0.103 0.000 0.860 275 V CB 2.051 33.922 31.823 0.080 0.000 0.990 275 V HN 0.511 nan 8.190 nan 0.000 0.453 276 L N 7.731 129.043 121.223 0.149 0.000 2.272 276 L HA 0.691 5.037 4.340 0.011 0.000 0.289 276 L C -0.474 176.509 176.870 0.188 0.000 1.032 276 L CA -0.470 54.446 54.840 0.127 0.000 0.810 276 L CB 1.017 43.172 42.059 0.159 0.000 1.205 276 L HN 0.740 nan 8.230 nan 0.000 0.422 277 I N 2.346 123.002 120.570 0.143 0.000 2.436 277 I HA 0.858 5.035 4.170 0.011 0.000 0.289 277 I C -0.177 175.969 176.117 0.048 0.000 1.010 277 I CA -0.442 60.973 61.300 0.192 0.000 1.098 277 I CB 1.712 39.898 38.000 0.311 0.000 1.266 277 I HN 0.568 nan 8.210 nan 0.000 0.434 278 G N 3.699 112.537 108.800 0.063 0.000 2.714 278 G HA2 0.920 4.886 3.960 0.011 0.000 0.292 278 G HA3 0.920 4.886 3.960 0.011 0.000 0.292 278 G C -1.477 173.439 174.900 0.027 0.000 1.308 278 G CA -0.590 44.535 45.100 0.041 0.000 0.964 278 G HN 1.104 nan 8.290 nan 0.000 0.484 279 A N -0.600 122.266 122.820 0.075 0.000 2.581 279 A HA 0.808 5.134 4.320 0.011 0.000 0.290 279 A C -1.173 176.530 177.584 0.198 0.000 1.119 279 A CA -0.668 51.407 52.037 0.064 0.000 0.670 279 A CB 0.982 19.942 19.000 -0.066 0.000 1.280 279 A HN 1.639 nan 8.150 nan 0.000 0.425 280 H N -1.087 118.049 119.070 0.110 0.000 2.472 280 H HA 0.696 5.257 4.556 0.009 0.000 0.338 280 H C 0.153 175.519 175.328 0.062 0.000 1.133 280 H CA -0.779 55.339 56.048 0.116 0.000 1.216 280 H CB 1.112 30.931 29.762 0.096 0.000 1.497 280 H HN 0.510 nan 8.280 nan 0.000 0.500 281 L N 1.121 122.423 121.223 0.132 0.000 2.375 281 L HA 0.090 4.436 4.340 0.011 0.000 0.215 281 L C 0.188 177.087 176.870 0.048 0.000 1.108 281 L CA 0.602 55.474 54.840 0.054 0.000 0.830 281 L CB -0.512 41.601 42.059 0.089 0.000 0.959 281 L HN 0.938 nan 8.230 nan 0.000 0.457 282 D N -0.596 119.887 120.400 0.139 0.000 2.383 282 D HA 0.357 5.003 4.640 0.011 0.000 0.248 282 D C -0.056 176.290 176.300 0.077 0.000 1.170 282 D CA 0.272 54.306 54.000 0.057 0.000 0.977 282 D CB 1.374 42.168 40.800 -0.010 0.000 1.120 282 D HN 0.196 nan 8.370 nan 0.000 0.481 283 S N -1.937 113.712 115.700 -0.085 0.000 2.656 283 S HA 0.477 4.954 4.470 0.011 0.000 0.273 283 S C -1.153 173.245 174.600 -0.337 0.000 1.168 283 S CA -1.113 57.028 58.200 -0.097 0.000 0.817 283 S CB 0.426 63.609 63.200 -0.028 0.000 1.146 283 S HN 0.578 nan 8.310 nan 0.000 0.475 284 W N 1.265 122.512 121.300 -0.089 0.000 2.030 284 W HA 0.333 4.999 4.660 0.009 0.000 0.360 284 W C 1.186 177.672 176.519 -0.055 0.000 1.370 284 W CA 0.561 57.833 57.345 -0.122 0.000 1.433 284 W CB 0.493 29.781 29.460 -0.286 0.000 1.204 284 W HN 0.895 nan 8.180 nan 0.000 0.649 285 D N -1.020 119.557 120.400 0.295 0.000 2.379 285 D HA -0.052 4.594 4.640 0.011 0.000 0.208 285 D C 0.753 177.117 176.300 0.106 0.000 1.065 285 D CA 0.491 54.584 54.000 0.156 0.000 0.848 285 D CB -0.152 40.758 40.800 0.182 0.000 0.949 285 D HN 0.571 nan 8.370 nan 0.000 0.509 286 E N 0.618 120.885 120.200 0.112 0.000 2.415 286 E HA 0.196 4.553 4.350 0.011 0.000 0.197 286 E C 1.272 177.887 176.600 0.025 0.000 1.007 286 E CA 0.174 56.609 56.400 0.059 0.000 0.890 286 E CB 0.853 30.586 29.700 0.054 0.000 0.891 286 E HN 0.267 nan 8.360 nan 0.000 0.496 287 G N 0.970 109.784 108.800 0.024 0.000 2.849 287 G HA2 0.122 4.088 3.960 0.011 0.000 0.174 287 G HA3 0.122 4.088 3.960 0.011 0.000 0.174 287 G C 0.699 175.586 174.900 -0.021 0.000 1.370 287 G CA 0.349 45.445 45.100 -0.006 0.000 1.040 287 G HN 0.132 nan 8.290 nan 0.000 0.582 288 T N -3.880 110.649 114.554 -0.042 0.000 3.200 288 T HA 0.421 4.778 4.350 0.011 0.000 0.284 288 T C 1.385 176.038 174.700 -0.079 0.000 1.009 288 T CA 0.974 63.033 62.100 -0.068 0.000 0.907 288 T CB 0.260 69.075 68.868 -0.090 0.000 1.120 288 T HN 2.048 nan 8.240 nan 0.000 0.534 289 G N 1.118 109.893 108.800 -0.042 0.000 2.305 289 G HA2 -0.157 3.810 3.960 0.011 0.000 0.287 289 G HA3 -0.157 3.810 3.960 0.011 0.000 0.287 289 G C 1.009 175.872 174.900 -0.062 0.000 1.036 289 G CA 0.137 45.217 45.100 -0.033 0.000 0.887 289 G HN 1.031 nan 8.290 nan 0.000 0.505 290 A N -0.010 122.771 122.820 -0.065 0.000 1.854 290 A HA 0.231 4.557 4.320 0.011 0.000 0.214 290 A C 2.390 179.949 177.584 -0.042 0.000 1.192 290 A CA 1.980 53.968 52.037 -0.081 0.000 0.611 290 A CB -0.263 18.681 19.000 -0.094 0.000 0.832 290 A HN 1.475 nan 8.150 nan 0.000 0.442 291 I N -4.202 116.366 120.570 -0.003 0.000 3.228 291 I HA 0.189 4.365 4.170 0.011 0.000 0.279 291 I C 0.084 176.295 176.117 0.157 0.000 1.221 291 I CA 0.800 62.142 61.300 0.070 0.000 1.458 291 I CB 0.185 38.239 38.000 0.089 0.000 1.105 291 I HN 0.077 nan 8.210 nan 0.000 0.445 292 D N 1.759 122.235 120.400 0.128 0.000 2.432 292 D HA 0.218 4.864 4.640 0.011 0.000 0.265 292 D C -0.962 175.390 176.300 0.086 0.000 1.160 292 D CA -0.152 53.981 54.000 0.222 0.000 0.911 292 D CB 0.637 41.658 40.800 0.368 0.000 1.052 292 D HN 0.228 nan 8.370 nan 0.000 0.508 293 D N 1.367 121.682 120.400 -0.142 0.000 2.908 293 D HA 0.239 4.886 4.640 0.011 0.000 0.361 293 D C 1.586 177.772 176.300 -0.189 0.000 1.416 293 D CA -0.282 53.584 54.000 -0.224 0.000 0.796 293 D CB 0.179 40.567 40.800 -0.686 0.000 1.185 293 D HN 0.427 nan 8.370 nan 0.000 0.451 294 G N 0.351 109.073 108.800 -0.130 0.000 2.442 294 G HA2 -0.225 3.741 3.960 0.011 0.000 0.219 294 G HA3 -0.225 3.741 3.960 0.011 0.000 0.219 294 G C 1.579 176.424 174.900 -0.091 0.000 1.141 294 G CA 0.961 45.982 45.100 -0.131 0.000 0.763 294 G HN 0.418 nan 8.290 nan 0.000 0.554 295 A N 0.875 123.658 122.820 -0.063 0.000 1.908 295 A HA 0.124 4.450 4.320 0.011 0.000 0.218 295 A C 2.718 180.268 177.584 -0.056 0.000 1.181 295 A CA 2.182 54.196 52.037 -0.039 0.000 0.627 295 A CB -1.079 17.919 19.000 -0.002 0.000 0.818 295 A HN 0.539 nan 8.150 nan 0.000 0.445 296 G N -0.657 108.095 108.800 -0.080 0.000 2.402 296 G HA2 -0.081 3.885 3.960 0.011 0.000 0.216 296 G HA3 -0.081 3.885 3.960 0.011 0.000 0.216 296 G C 1.508 176.332 174.900 -0.126 0.000 1.162 296 G CA 1.156 46.182 45.100 -0.123 0.000 0.777 296 G HN 0.315 nan 8.290 nan 0.000 0.539 297 V N 1.649 121.508 119.914 -0.092 0.000 2.282 297 V HA -0.207 3.920 4.120 0.011 0.000 0.249 297 V C 3.326 179.416 176.094 -0.008 0.000 1.057 297 V CA 2.205 64.483 62.300 -0.037 0.000 1.032 297 V CB -0.906 30.928 31.823 0.019 0.000 0.645 297 V HN 0.479 nan 8.190 nan 0.000 0.447 298 A N -0.498 122.321 122.820 -0.001 0.000 1.930 298 A HA -0.125 4.202 4.320 0.011 0.000 0.217 298 A C 2.177 179.764 177.584 0.006 0.000 1.175 298 A CA 1.714 53.766 52.037 0.025 0.000 0.627 298 A CB -0.480 18.530 19.000 0.017 0.000 0.815 298 A HN 0.503 nan 8.150 nan 0.000 0.443 299 I N 0.135 120.677 120.570 -0.047 0.000 2.142 299 I HA -0.234 3.942 4.170 0.011 0.000 0.240 299 I C 2.577 178.635 176.117 -0.099 0.000 1.078 299 I CA 1.729 62.985 61.300 -0.073 0.000 1.343 299 I CB -0.265 37.634 38.000 -0.167 0.000 1.046 299 I HN 0.339 nan 8.210 nan 0.000 0.405 300 V N -2.496 117.301 119.914 -0.194 0.000 2.453 300 V HA -0.172 3.954 4.120 0.011 0.000 0.247 300 V C 2.240 178.323 176.094 -0.019 0.000 1.048 300 V CA 2.094 64.305 62.300 -0.148 0.000 1.049 300 V CB -1.301 30.401 31.823 -0.201 0.000 0.672 300 V HN 0.361 nan 8.190 nan 0.000 0.457 301 T N 1.300 115.845 114.554 -0.015 0.000 2.737 301 T HA 0.011 4.368 4.350 0.011 0.000 0.265 301 T C 2.225 176.999 174.700 0.124 0.000 1.038 301 T CA 1.992 64.118 62.100 0.044 0.000 1.144 301 T CB -0.615 68.274 68.868 0.035 0.000 0.866 301 T HN 0.744 nan 8.240 nan 0.000 0.434 302 A N 1.584 124.448 122.820 0.073 0.000 1.902 302 A HA 0.134 4.461 4.320 0.011 0.000 0.217 302 A C 2.661 180.299 177.584 0.090 0.000 1.181 302 A CA 1.899 53.954 52.037 0.030 0.000 0.623 302 A CB -1.190 17.859 19.000 0.082 0.000 0.818 302 A HN 0.502 nan 8.150 nan 0.000 0.443 303 A N -0.068 122.869 122.820 0.195 0.000 1.883 303 A HA 0.089 4.415 4.320 0.011 0.000 0.217 303 A C 2.526 180.266 177.584 0.261 0.000 1.186 303 A CA 2.369 54.575 52.037 0.282 0.000 0.624 303 A CB -1.094 18.083 19.000 0.296 0.000 0.822 303 A HN 1.123 nan 8.150 nan 0.000 0.444 304 A N -0.398 122.567 122.820 0.243 0.000 1.933 304 A HA -0.142 4.184 4.320 0.011 0.000 0.218 304 A C 2.071 179.842 177.584 0.312 0.000 1.175 304 A CA 2.373 54.600 52.037 0.317 0.000 0.628 304 A CB -0.383 18.793 19.000 0.294 0.000 0.814 304 A HN 0.462 nan 8.150 nan 0.000 0.444 305 K N -0.328 120.182 120.400 0.182 0.000 2.057 305 K HA -0.155 4.171 4.320 0.011 0.000 0.206 305 K C 1.847 178.359 176.600 -0.147 0.000 1.050 305 K CA 1.763 57.971 56.287 -0.132 0.000 0.935 305 K CB -0.568 31.788 32.500 -0.239 0.000 0.715 305 K HN 0.614 nan 8.250 nan 0.000 0.439 306 H N 0.149 119.246 119.070 0.044 0.000 2.387 306 H HA -0.076 4.486 4.556 0.010 0.000 0.299 306 H C 2.141 177.466 175.328 -0.006 0.000 1.099 306 H CA 1.806 57.861 56.048 0.011 0.000 1.315 306 H CB -0.156 29.622 29.762 0.027 0.000 1.380 306 H HN 0.224 nan 8.280 nan 0.000 0.513 307 I N 0.114 120.779 120.570 0.158 0.000 2.252 307 I HA -0.234 3.942 4.170 0.011 0.000 0.245 307 I C 2.513 178.681 176.117 0.085 0.000 1.102 307 I CA 0.521 61.898 61.300 0.129 0.000 1.385 307 I CB -0.141 38.027 38.000 0.280 0.000 1.064 307 I HN 0.087 nan 8.210 nan 0.000 0.414 308 L N 0.892 122.157 121.223 0.069 0.000 2.079 308 L HA -0.256 4.090 4.340 0.011 0.000 0.210 308 L C 1.781 178.624 176.870 -0.045 0.000 1.081 308 L CA 1.989 56.826 54.840 -0.006 0.000 0.752 308 L CB -0.715 41.243 42.059 -0.167 0.000 0.896 308 L HN 0.199 nan 8.230 nan 0.000 0.433 309 D N -0.371 119.996 120.400 -0.055 0.000 2.310 309 D HA -0.033 4.614 4.640 0.011 0.000 0.212 309 D C 0.953 177.226 176.300 -0.045 0.000 0.965 309 D CA 0.457 54.428 54.000 -0.049 0.000 0.879 309 D CB -0.182 40.606 40.800 -0.020 0.000 0.921 309 D HN 0.292 nan 8.370 nan 0.000 0.510 310 L N 1.745 122.930 121.223 -0.063 0.000 2.461 310 L HA 0.038 4.385 4.340 0.011 0.000 0.272 310 L C -0.766 176.068 176.870 -0.059 0.000 1.197 310 L CA -1.127 53.648 54.840 -0.109 0.000 0.836 310 L CB 0.258 42.176 42.059 -0.235 0.000 1.105 310 L HN -0.086 nan 8.230 nan 0.000 0.477 311 P HA -0.098 nan 4.420 nan 0.000 0.223 311 P C -0.061 177.244 177.300 0.010 0.000 1.151 311 P CA 0.891 63.979 63.100 -0.021 0.000 0.787 311 P CB 0.286 31.972 31.700 -0.023 0.000 0.788 312 Q N 0.402 120.209 119.800 0.011 0.000 2.259 312 Q HA 0.302 4.648 4.340 0.011 0.000 0.246 312 Q C -0.036 176.084 176.000 0.199 0.000 0.920 312 Q CA -0.036 55.834 55.803 0.111 0.000 0.895 312 Q CB 0.881 29.725 28.738 0.176 0.000 1.220 312 Q HN 0.050 nan 8.270 nan 0.000 0.439 313 K N 2.912 123.441 120.400 0.214 0.000 2.143 313 K HA 0.388 4.715 4.320 0.011 0.000 0.272 313 K C -2.228 174.538 176.600 0.277 0.000 1.001 313 K CA -1.796 54.624 56.287 0.222 0.000 0.915 313 K CB 0.474 33.042 32.500 0.114 0.000 1.047 313 K HN 0.444 nan 8.250 nan 0.000 0.458 314 P HA 0.032 nan 4.420 nan 0.000 0.274 314 P C -0.319 176.901 177.300 -0.134 0.000 1.237 314 P CA -0.071 62.947 63.100 -0.138 0.000 0.793 314 P CB 0.867 32.506 31.700 -0.101 0.000 0.977 315 E N 0.896 120.950 120.200 -0.243 0.000 2.028 315 E HA -0.112 4.244 4.350 0.011 0.000 0.191 315 E C 0.616 177.124 176.600 -0.152 0.000 0.988 315 E CA 1.047 57.342 56.400 -0.175 0.000 0.799 315 E CB -0.010 29.562 29.700 -0.213 0.000 0.755 315 E HN 0.434 nan 8.360 nan 0.000 0.447 316 R N 1.008 121.389 120.500 -0.197 0.000 2.528 316 R HA 0.242 4.588 4.340 0.011 0.000 0.271 316 R C -0.191 176.063 176.300 -0.077 0.000 1.056 316 R CA -0.281 55.731 56.100 -0.147 0.000 1.117 316 R CB 0.892 31.075 30.300 -0.195 0.000 1.085 316 R HN -0.055 nan 8.270 nan 0.000 0.530 317 T N 2.379 116.909 114.554 -0.040 0.000 2.901 317 T HA 0.196 4.553 4.350 0.011 0.000 0.301 317 T C 0.464 175.170 174.700 0.010 0.000 1.012 317 T CA 0.085 62.187 62.100 0.003 0.000 1.135 317 T CB 0.218 69.094 68.868 0.015 0.000 0.936 317 T HN 0.273 nan 8.240 nan 0.000 0.539 318 I N 3.485 124.084 120.570 0.048 0.000 2.321 318 I HA 0.390 4.567 4.170 0.011 0.000 0.291 318 I C 0.545 176.685 176.117 0.039 0.000 0.998 318 I CA -0.513 60.825 61.300 0.063 0.000 1.227 318 I CB 1.061 39.132 38.000 0.118 0.000 1.368 318 I HN 0.347 nan 8.210 nan 0.000 0.466 319 R N 6.206 126.713 120.500 0.011 0.000 2.310 319 R HA 0.558 4.904 4.340 0.011 0.000 0.324 319 R C -1.480 174.764 176.300 -0.093 0.000 0.955 319 R CA -0.568 55.507 56.100 -0.041 0.000 0.830 319 R CB 1.490 31.780 30.300 -0.016 0.000 1.154 319 R HN 0.426 nan 8.270 nan 0.000 0.458 320 V N 5.715 125.512 119.914 -0.196 0.000 2.432 320 V HA 0.229 4.356 4.120 0.011 0.000 0.271 320 V C -0.207 175.706 176.094 -0.301 0.000 1.046 320 V CA -0.400 61.757 62.300 -0.239 0.000 0.945 320 V CB 1.472 33.087 31.823 -0.347 0.000 0.992 320 V HN 0.484 nan 8.190 nan 0.000 0.471 321 V N 7.009 126.725 119.914 -0.331 0.000 2.409 321 V HA 0.443 4.569 4.120 0.011 0.000 0.291 321 V C -0.200 175.599 176.094 -0.492 0.000 1.020 321 V CA -0.527 61.452 62.300 -0.534 0.000 0.848 321 V CB 1.706 32.969 31.823 -0.934 0.000 0.990 321 V HN 0.635 nan 8.190 nan 0.000 0.430 322 L N 5.712 126.714 121.223 -0.367 0.000 2.283 322 L HA 0.498 4.844 4.340 0.011 0.000 0.281 322 L C -0.783 176.016 176.870 -0.119 0.000 1.033 322 L CA -0.467 54.271 54.840 -0.171 0.000 0.848 322 L CB 0.341 42.355 42.059 -0.075 0.000 1.226 322 L HN 0.537 nan 8.230 nan 0.000 0.429 323 Y N 1.631 121.939 120.300 0.014 0.000 2.346 323 Y HA 0.379 4.935 4.550 0.010 0.000 0.330 323 Y C 0.924 176.864 175.900 0.067 0.000 1.178 323 Y CA -0.159 57.962 58.100 0.034 0.000 1.331 323 Y CB 1.038 39.511 38.460 0.022 0.000 1.253 323 Y HN 0.601 nan 8.280 nan 0.000 0.529 324 A N 2.449 125.402 122.820 0.222 0.000 2.340 324 A HA 0.563 4.889 4.320 0.011 0.000 0.268 324 A C 0.775 178.409 177.584 0.085 0.000 1.100 324 A CA -0.127 51.990 52.037 0.132 0.000 0.803 324 A CB -0.494 18.562 19.000 0.093 0.000 1.043 324 A HN 1.636 nan 8.150 nan 0.000 0.488 325 A N 0.785 123.615 122.820 0.017 0.000 2.822 325 A HA -0.177 4.149 4.320 0.011 0.000 0.287 325 A C 1.363 178.892 177.584 -0.091 0.000 1.479 325 A CA 1.222 53.224 52.037 -0.057 0.000 0.779 325 A CB -1.920 17.055 19.000 -0.041 0.000 1.022 325 A HN 1.040 nan 8.150 nan 0.000 0.532 326 E N 0.249 120.370 120.200 -0.132 0.000 2.077 326 E HA -0.215 4.142 4.350 0.011 0.000 0.193 326 E C 1.567 178.030 176.600 -0.229 0.000 0.989 326 E CA 1.595 57.848 56.400 -0.246 0.000 0.800 326 E CB -0.086 29.303 29.700 -0.518 0.000 0.746 326 E HN 0.788 nan 8.360 nan 0.000 0.452 327 E N 0.288 120.328 120.200 -0.266 0.000 2.265 327 E HA -0.114 4.242 4.350 0.011 0.000 0.196 327 E C 1.848 178.427 176.600 -0.034 0.000 0.996 327 E CA 0.503 56.815 56.400 -0.147 0.000 0.832 327 E CB -0.049 29.329 29.700 -0.536 0.000 0.756 327 E HN 0.395 nan 8.360 nan 0.000 0.491 328 L N -0.310 120.850 121.223 -0.105 0.000 2.685 328 L HA 0.260 4.606 4.340 0.011 0.000 0.233 328 L C 0.795 177.656 176.870 -0.015 0.000 1.173 328 L CA 0.204 55.018 54.840 -0.043 0.000 0.961 328 L CB 0.101 42.113 42.059 -0.078 0.000 1.217 328 L HN 0.102 nan 8.230 nan 0.000 0.478 329 G N 0.392 109.184 108.800 -0.013 0.000 2.337 329 G HA2 -0.185 3.781 3.960 0.011 0.000 0.134 329 G HA3 -0.185 3.781 3.960 0.011 0.000 0.134 329 G C 0.406 175.285 174.900 -0.035 0.000 1.052 329 G CA -0.389 44.703 45.100 -0.013 0.000 0.737 329 G HN 0.242 nan 8.290 nan 0.000 0.485 330 L N -1.926 119.259 121.223 -0.064 0.000 3.843 330 L HA -0.288 4.059 4.340 0.011 0.000 0.411 330 L C 2.203 179.039 176.870 -0.057 0.000 1.205 330 L CA 0.846 55.632 54.840 -0.091 0.000 0.945 330 L CB -1.938 40.062 42.059 -0.098 0.000 1.929 330 L HN 0.445 nan 8.230 nan 0.000 0.934 331 L N -0.135 121.069 121.223 -0.032 0.000 2.046 331 L HA -0.125 4.222 4.340 0.011 0.000 0.208 331 L C 2.586 179.479 176.870 0.039 0.000 1.077 331 L CA 1.994 56.834 54.840 -0.001 0.000 0.747 331 L CB -0.606 41.450 42.059 -0.005 0.000 0.896 331 L HN 0.594 nan 8.230 nan 0.000 0.432 332 G N -0.297 108.544 108.800 0.068 0.000 2.408 332 G HA2 -0.148 3.818 3.960 0.011 0.000 0.217 332 G HA3 -0.148 3.818 3.960 0.011 0.000 0.217 332 G C 1.597 176.651 174.900 0.256 0.000 1.150 332 G CA 0.684 45.897 45.100 0.188 0.000 0.776 332 G HN 0.474 nan 8.290 nan 0.000 0.542 333 G N 0.803 109.597 108.800 -0.010 0.000 2.421 333 G HA2 -0.182 3.784 3.960 0.011 0.000 0.216 333 G HA3 -0.182 3.784 3.960 0.011 0.000 0.216 333 G C 1.817 176.745 174.900 0.046 0.000 1.171 333 G CA 1.142 46.115 45.100 -0.211 0.000 0.775 333 G HN 0.470 nan 8.290 nan 0.000 0.543 334 K N -0.224 120.193 120.400 0.027 0.000 2.057 334 K HA -0.049 4.277 4.320 0.011 0.000 0.207 334 K C 2.793 179.457 176.600 0.105 0.000 1.049 334 K CA 1.540 57.858 56.287 0.051 0.000 0.931 334 K CB -0.291 32.222 32.500 0.021 0.000 0.714 334 K HN 0.212 nan 8.250 nan 0.000 0.440 335 T N 0.431 115.063 114.554 0.131 0.000 2.708 335 T HA -0.193 4.163 4.350 0.011 0.000 0.266 335 T C 1.552 176.383 174.700 0.219 0.000 1.037 335 T CA 1.293 63.479 62.100 0.143 0.000 1.146 335 T CB -0.408 68.537 68.868 0.129 0.000 0.865 335 T HN 0.272 nan 8.240 nan 0.000 0.435 336 Y N 2.136 122.555 120.300 0.198 0.000 2.128 336 Y HA -0.112 4.445 4.550 0.011 0.000 0.284 336 Y C 2.550 178.589 175.900 0.232 0.000 1.154 336 Y CA 1.140 59.410 58.100 0.282 0.000 1.149 336 Y CB -0.747 37.906 38.460 0.321 0.000 0.976 336 Y HN 0.182 nan 8.280 nan 0.000 0.505 337 A N -0.055 122.968 122.820 0.338 0.000 1.917 337 A HA -0.258 4.068 4.320 0.011 0.000 0.219 337 A C 2.280 179.903 177.584 0.066 0.000 1.182 337 A CA 2.386 54.526 52.037 0.172 0.000 0.633 337 A CB -1.040 18.035 19.000 0.125 0.000 0.819 337 A HN 0.377 nan 8.150 nan 0.000 0.448 338 K N -0.306 120.133 120.400 0.064 0.000 2.007 338 K HA -0.117 4.209 4.320 0.011 0.000 0.206 338 K C 2.106 178.699 176.600 -0.011 0.000 1.047 338 K CA 1.759 58.060 56.287 0.024 0.000 0.937 338 K CB -0.541 31.976 32.500 0.029 0.000 0.718 338 K HN 0.650 nan 8.250 nan 0.000 0.438 339 E N 0.222 120.413 120.200 -0.016 0.000 2.118 339 E HA -0.171 4.185 4.350 0.011 0.000 0.195 339 E C 1.447 177.887 176.600 -0.267 0.000 0.992 339 E CA 1.885 58.216 56.400 -0.115 0.000 0.804 339 E CB -0.303 29.344 29.700 -0.088 0.000 0.741 339 E HN 0.737 nan 8.360 nan 0.000 0.458 340 H N -0.443 118.481 119.070 -0.243 0.000 2.505 340 H HA 0.119 4.682 4.556 0.011 0.000 0.289 340 H C 1.170 176.414 175.328 -0.140 0.000 1.052 340 H CA 0.425 56.323 56.048 -0.249 0.000 1.156 340 H CB 0.391 29.826 29.762 -0.546 0.000 1.507 340 H HN 0.407 nan 8.280 nan 0.000 0.548 341 E N 1.704 121.888 120.200 -0.028 0.000 2.086 341 E HA -0.207 4.149 4.350 0.011 0.000 0.200 341 E C 2.122 178.725 176.600 0.005 0.000 1.012 341 E CA 1.344 57.737 56.400 -0.012 0.000 0.812 341 E CB 0.164 29.856 29.700 -0.013 0.000 0.743 341 E HN 0.434 nan 8.360 nan 0.000 0.453 342 A N 0.414 123.234 122.820 0.001 0.000 2.119 342 A HA -0.136 4.191 4.320 0.011 0.000 0.217 342 A C 1.894 179.512 177.584 0.056 0.000 1.153 342 A CA 1.220 53.268 52.037 0.018 0.000 0.692 342 A CB -0.252 18.749 19.000 0.002 0.000 0.799 342 A HN 0.400 nan 8.150 nan 0.000 0.458 343 E N -0.451 119.804 120.200 0.091 0.000 2.452 343 E HA 0.127 4.484 4.350 0.011 0.000 0.197 343 E C 1.487 178.254 176.600 0.278 0.000 1.022 343 E CA -0.143 56.373 56.400 0.194 0.000 0.890 343 E CB -0.020 29.856 29.700 0.293 0.000 0.918 343 E HN 0.633 nan 8.360 nan 0.000 0.496 344 L N 0.755 122.047 121.223 0.115 0.000 2.131 344 L HA -0.154 4.192 4.340 0.011 0.000 0.210 344 L C 2.427 179.392 176.870 0.158 0.000 1.092 344 L CA 1.192 56.048 54.840 0.027 0.000 0.759 344 L CB -0.305 41.723 42.059 -0.052 0.000 0.903 344 L HN 0.217 nan 8.230 nan 0.000 0.435 345 E N 0.293 120.573 120.200 0.133 0.000 2.153 345 E HA -0.201 4.155 4.350 0.011 0.000 0.194 345 E C 1.627 178.324 176.600 0.161 0.000 0.988 345 E CA 0.902 57.375 56.400 0.121 0.000 0.811 345 E CB 0.299 30.050 29.700 0.085 0.000 0.746 345 E HN 0.190 nan 8.360 nan 0.000 0.466 346 K N 0.249 120.771 120.400 0.203 0.000 2.444 346 K HA 0.032 4.358 4.320 0.011 0.000 0.193 346 K C -0.429 176.295 176.600 0.207 0.000 1.024 346 K CA 0.148 56.543 56.287 0.180 0.000 1.077 346 K CB 0.004 32.581 32.500 0.129 0.000 0.833 346 K HN 0.200 nan 8.250 nan 0.000 0.517 347 H N 0.231 119.385 119.070 0.141 0.000 2.944 347 H HA -0.023 4.539 4.556 0.010 0.000 0.278 347 H C 0.850 176.285 175.328 0.179 0.000 1.083 347 H CA -0.034 56.112 56.048 0.164 0.000 1.479 347 H CB 0.239 30.098 29.762 0.162 0.000 1.486 347 H HN 0.028 nan 8.280 nan 0.000 0.493 348 Y N 4.054 124.411 120.300 0.094 0.000 2.133 348 Y HA 0.085 4.642 4.550 0.011 0.000 0.287 348 Y C 0.409 176.374 175.900 0.107 0.000 1.134 348 Y CA 1.092 59.232 58.100 0.067 0.000 1.133 348 Y CB 0.418 38.880 38.460 0.003 0.000 0.987 348 Y HN 0.585 nan 8.280 nan 0.000 0.502 349 I N -0.554 120.084 120.570 0.112 0.000 2.908 349 I HA 0.571 4.748 4.170 0.011 0.000 0.300 349 I C -1.800 174.455 176.117 0.229 0.000 1.385 349 I CA -0.901 60.458 61.300 0.098 0.000 1.004 349 I CB 1.798 39.824 38.000 0.044 0.000 1.309 349 I HN 0.012 nan 8.210 nan 0.000 0.449 350 A N 4.870 127.832 122.820 0.235 0.000 2.401 350 A HA 1.021 5.347 4.320 0.011 0.000 0.310 350 A C -1.352 176.356 177.584 0.207 0.000 1.075 350 A CA -0.049 52.131 52.037 0.238 0.000 0.746 350 A CB 1.779 20.896 19.000 0.196 0.000 1.277 350 A HN 1.209 nan 8.150 nan 0.000 0.425 351 A N 0.915 123.852 122.820 0.196 0.000 2.594 351 A HA 0.796 5.122 4.320 0.011 0.000 0.295 351 A C -0.992 176.680 177.584 0.146 0.000 1.071 351 A CA -0.317 51.768 52.037 0.080 0.000 0.685 351 A CB 1.423 20.317 19.000 -0.175 0.000 1.285 351 A HN 0.976 nan 8.150 nan 0.000 0.405 352 E N 0.547 120.809 120.200 0.103 0.000 2.292 352 E HA 0.538 4.894 4.350 0.011 0.000 0.272 352 E C -1.210 175.439 176.600 0.082 0.000 0.881 352 E CA -0.362 56.095 56.400 0.094 0.000 0.754 352 E CB 1.873 31.613 29.700 0.066 0.000 1.201 352 E HN 0.576 nan 8.360 nan 0.000 0.425 353 S N 3.440 119.118 115.700 -0.036 0.000 2.411 353 S HA 0.249 4.726 4.470 0.011 0.000 0.294 353 S C -0.807 173.783 174.600 -0.017 0.000 1.115 353 S CA -0.340 57.815 58.200 -0.075 0.000 1.071 353 S CB 0.431 63.421 63.200 -0.350 0.000 0.967 353 S HN 0.548 nan 8.310 nan 0.000 0.488 354 D N 4.305 124.731 120.400 0.042 0.000 3.453 354 D HA 0.197 4.844 4.640 0.011 0.000 0.312 354 D C -1.157 175.197 176.300 0.091 0.000 1.349 354 D CA -0.227 53.831 54.000 0.098 0.000 0.739 354 D CB -0.222 40.691 40.800 0.187 0.000 1.312 354 D HN 0.387 nan 8.370 nan 0.000 0.628 355 F N 0.704 120.519 119.950 -0.225 0.000 2.556 355 F HA 0.537 5.069 4.527 0.009 0.000 0.384 355 F C 0.755 176.257 175.800 -0.496 0.000 1.493 355 F CA 0.276 57.919 58.000 -0.595 0.000 1.119 355 F CB 0.304 39.037 39.000 -0.444 0.000 1.280 355 F HN 0.277 nan 8.300 nan 0.000 0.525 356 G N 1.856 110.633 108.800 -0.039 0.000 2.512 356 G HA2 0.010 3.976 3.960 0.011 0.000 0.254 356 G HA3 0.010 3.976 3.960 0.011 0.000 0.254 356 G C 0.531 175.445 174.900 0.023 0.000 1.199 356 G CA 0.078 45.263 45.100 0.141 0.000 0.941 356 G HN 1.168 nan 8.290 nan 0.000 0.569 357 A N 0.073 122.905 122.820 0.020 0.000 2.469 357 A HA 0.728 5.054 4.320 0.011 0.000 0.245 357 A C 1.400 178.986 177.584 0.005 0.000 1.221 357 A CA 1.428 53.475 52.037 0.017 0.000 0.946 357 A CB -0.094 18.928 19.000 0.037 0.000 1.049 357 A HN 2.297 nan 8.150 nan 0.000 0.529 358 G N 1.449 110.224 108.800 -0.042 0.000 2.554 358 G HA2 0.432 4.399 3.960 0.011 0.000 0.238 358 G HA3 0.432 4.399 3.960 0.011 0.000 0.238 358 G C -2.556 172.349 174.900 0.008 0.000 1.259 358 G CA -0.779 44.300 45.100 -0.034 0.000 0.843 358 G HN 0.176 nan 8.290 nan 0.000 0.582 359 P HA 0.169 nan 4.420 nan 0.000 0.272 359 P C 0.053 177.412 177.300 0.099 0.000 1.223 359 P CA -0.233 62.908 63.100 0.068 0.000 0.784 359 P CB 0.989 32.732 31.700 0.071 0.000 0.923 360 I N 2.817 123.423 120.570 0.060 0.000 2.496 360 I HA -0.007 4.169 4.170 0.011 0.000 0.285 360 I C 1.228 177.368 176.117 0.038 0.000 1.080 360 I CA 0.080 61.372 61.300 -0.012 0.000 1.404 360 I CB 0.139 38.099 38.000 -0.067 0.000 1.403 360 I HN 0.492 nan 8.210 nan 0.000 0.539 361 Y N 3.230 123.528 120.300 -0.002 0.000 2.453 361 Y HA 0.489 5.045 4.550 0.010 0.000 0.247 361 Y C 0.330 176.230 175.900 0.001 0.000 1.124 361 Y CA -0.553 57.550 58.100 0.005 0.000 1.243 361 Y CB 0.214 38.682 38.460 0.014 0.000 1.213 361 Y HN 0.560 nan 8.280 nan 0.000 0.523 362 Q N 0.854 120.431 119.800 -0.372 0.000 2.438 362 Q HA 0.508 4.854 4.340 0.011 0.000 0.272 362 Q C -2.185 173.622 176.000 -0.323 0.000 0.994 362 Q CA -0.626 55.030 55.803 -0.246 0.000 0.887 362 Q CB 2.138 30.758 28.738 -0.198 0.000 1.432 362 Q HN 0.361 nan 8.270 nan 0.000 0.392 363 I N 3.159 123.583 120.570 -0.244 0.000 2.355 363 I HA 0.368 4.544 4.170 0.011 0.000 0.288 363 I C -0.769 175.073 176.117 -0.457 0.000 0.999 363 I CA -0.728 60.314 61.300 -0.430 0.000 1.163 363 I CB 1.443 39.144 38.000 -0.498 0.000 1.316 363 I HN 0.494 nan 8.210 nan 0.000 0.454 364 D N 5.030 125.145 120.400 -0.475 0.000 2.229 364 D HA 0.405 5.051 4.640 0.011 0.000 0.249 364 D C -0.954 175.033 176.300 -0.521 0.000 1.027 364 D CA -0.046 53.758 54.000 -0.326 0.000 0.923 364 D CB 1.664 42.369 40.800 -0.159 0.000 1.174 364 D HN 0.241 nan 8.370 nan 0.000 0.443 365 W N 0.049 121.352 121.300 0.006 0.000 2.799 365 W HA 0.509 5.176 4.660 0.012 0.000 0.349 365 W C 0.212 176.700 176.519 -0.051 0.000 1.100 365 W CA -0.956 56.392 57.345 0.005 0.000 1.174 365 W CB 1.268 30.769 29.460 0.068 0.000 1.427 365 W HN 0.055 nan 8.180 nan 0.000 0.547 366 R N 1.879 122.521 120.500 0.236 0.000 2.629 366 R HA 0.525 4.871 4.340 0.011 0.000 0.275 366 R C -1.526 174.836 176.300 0.103 0.000 1.719 366 R CA -0.319 55.844 56.100 0.104 0.000 1.472 366 R CB 0.282 30.612 30.300 0.051 0.000 1.237 366 R HN 0.401 nan 8.270 nan 0.000 0.589 367 V N -0.489 119.469 119.914 0.074 0.000 3.158 367 V HA 0.914 5.041 4.120 0.011 0.000 0.311 367 V C 0.131 176.212 176.094 -0.022 0.000 1.181 367 V CA -1.088 61.220 62.300 0.013 0.000 1.054 367 V CB 1.642 33.450 31.823 -0.024 0.000 1.085 367 V HN 0.534 nan 8.190 nan 0.000 0.446 368 A N 0.595 123.396 122.820 -0.032 0.000 2.555 368 A HA 0.161 4.488 4.320 0.011 0.000 0.233 368 A C 1.006 178.577 177.584 -0.021 0.000 1.060 368 A CA 0.682 52.704 52.037 -0.025 0.000 0.759 368 A CB -0.472 18.514 19.000 -0.023 0.000 0.995 368 A HN 1.004 nan 8.150 nan 0.000 0.506 369 D N 1.100 121.492 120.400 -0.013 0.000 2.133 369 D HA -0.164 4.483 4.640 0.011 0.000 0.195 369 D C 2.147 178.459 176.300 0.020 0.000 0.997 369 D CA 2.369 56.371 54.000 0.003 0.000 0.840 369 D CB -0.418 40.384 40.800 0.003 0.000 0.947 369 D HN 0.814 nan 8.370 nan 0.000 0.452 370 T N -2.029 112.526 114.554 0.001 0.000 3.085 370 T HA 0.211 4.568 4.350 0.011 0.000 0.263 370 T C 1.762 176.448 174.700 -0.024 0.000 1.127 370 T CA 0.823 62.919 62.100 -0.006 0.000 1.103 370 T CB 0.133 68.995 68.868 -0.009 0.000 0.921 370 T HN 0.088 nan 8.240 nan 0.000 0.510 371 A N 0.306 123.105 122.820 -0.036 0.000 2.147 371 A HA 0.157 4.484 4.320 0.011 0.000 0.211 371 A C 2.051 179.562 177.584 -0.122 0.000 1.160 371 A CA 0.552 52.537 52.037 -0.087 0.000 0.781 371 A CB -0.877 18.057 19.000 -0.110 0.000 0.842 371 A HN 0.744 nan 8.150 nan 0.000 0.475 372 H N -0.222 118.738 119.070 -0.183 0.000 2.270 372 H HA -0.139 4.423 4.556 0.011 0.000 0.299 372 H C 2.522 177.707 175.328 -0.238 0.000 1.077 372 H CA 1.722 57.633 56.048 -0.228 0.000 1.294 372 H CB 0.119 29.823 29.762 -0.096 0.000 1.371 372 H HN 0.530 nan 8.280 nan 0.000 0.491 373 S N 0.107 115.676 115.700 -0.219 0.000 2.368 373 S HA -0.052 4.425 4.470 0.011 0.000 0.225 373 S C -0.762 173.711 174.600 -0.212 0.000 1.030 373 S CA 1.188 59.234 58.200 -0.257 0.000 0.999 373 S CB -0.744 62.368 63.200 -0.146 0.000 0.844 373 S HN 0.353 nan 8.310 nan 0.000 0.459 374 P HA -0.063 nan 4.420 nan 0.000 0.215 374 P C 1.862 179.027 177.300 -0.226 0.000 1.153 374 P CA 1.677 64.680 63.100 -0.161 0.000 0.853 374 P CB -0.345 31.279 31.700 -0.126 0.000 0.788 375 V N -3.363 116.309 119.914 -0.403 0.000 2.453 375 V HA -0.155 3.971 4.120 0.011 0.000 0.247 375 V C 2.144 177.986 176.094 -0.420 0.000 1.048 375 V CA 1.313 63.235 62.300 -0.630 0.000 1.049 375 V CB -1.645 29.337 31.823 -1.402 0.000 0.672 375 V HN -0.015 nan 8.190 nan 0.000 0.457 376 I N 1.319 121.682 120.570 -0.345 0.000 2.163 376 I HA -0.221 3.956 4.170 0.011 0.000 0.243 376 I C 2.676 178.799 176.117 0.010 0.000 1.085 376 I CA 2.165 63.453 61.300 -0.020 0.000 1.347 376 I CB -0.651 37.279 38.000 -0.117 0.000 1.044 376 I HN 0.342 nan 8.210 nan 0.000 0.408 377 N N 1.159 119.822 118.700 -0.061 0.000 2.069 377 N HA -0.069 4.677 4.740 0.011 0.000 0.191 377 N C 0.981 176.497 175.510 0.009 0.000 1.031 377 N CA 1.160 54.196 53.050 -0.024 0.000 0.852 377 N CB -0.563 37.896 38.487 -0.047 0.000 1.018 377 N HN 0.342 nan 8.380 nan 0.000 0.423 381 V N 1.577 121.542 119.914 0.086 0.000 2.568 381 V HA -0.172 3.955 4.120 0.011 0.000 0.253 381 V C 1.785 177.925 176.094 0.077 0.000 1.072 381 V CA 2.532 64.881 62.300 0.080 0.000 1.084 381 V CB -0.108 31.772 31.823 0.095 0.000 0.676 381 V HN 0.396 nan 8.190 nan 0.000 0.469 382 A N -1.409 121.463 122.820 0.087 0.000 2.218 382 A HA 0.041 4.367 4.320 0.011 0.000 0.209 382 A C 1.877 179.498 177.584 0.061 0.000 1.168 382 A CA 0.682 52.763 52.037 0.073 0.000 0.804 382 A CB -0.331 18.714 19.000 0.075 0.000 0.834 382 A HN 0.645 nan 8.150 nan 0.000 0.482 383 E N 0.302 120.540 120.200 0.062 0.000 2.086 383 E HA -0.200 4.156 4.350 0.011 0.000 0.200 383 E C -0.765 175.863 176.600 0.048 0.000 1.012 383 E CA 1.687 58.120 56.400 0.055 0.000 0.812 383 E CB -0.969 28.763 29.700 0.052 0.000 0.743 383 E HN 0.466 nan 8.360 nan 0.000 0.453 384 P HA -0.117 nan 4.420 nan 0.000 0.228 384 P C 0.814 178.135 177.300 0.036 0.000 1.151 384 P CA 1.025 64.147 63.100 0.036 0.000 0.770 384 P CB 0.030 31.749 31.700 0.031 0.000 0.786 385 L N -2.752 118.496 121.223 0.042 0.000 2.592 385 L HA 0.322 4.668 4.340 0.011 0.000 0.227 385 L C 1.337 178.237 176.870 0.049 0.000 1.127 385 L CA 0.535 55.400 54.840 0.042 0.000 0.884 385 L CB -0.604 41.481 42.059 0.044 0.000 1.065 385 L HN 0.091 nan 8.230 nan 0.000 0.457 386 G N 0.218 109.050 108.800 0.053 0.000 2.134 386 G HA2 -0.207 3.759 3.960 0.011 0.000 0.209 386 G HA3 -0.207 3.759 3.960 0.011 0.000 0.209 386 G C -0.034 174.913 174.900 0.079 0.000 0.993 386 G CA -0.237 44.902 45.100 0.065 0.000 0.669 386 G HN 0.060 nan 8.290 nan 0.000 0.519 387 V N 1.158 121.109 119.914 0.061 0.000 2.350 387 V HA 0.763 4.889 4.120 0.011 0.000 0.276 387 V C 0.824 176.953 176.094 0.058 0.000 1.028 387 V CA -0.181 62.147 62.300 0.046 0.000 0.860 387 V CB 1.116 32.948 31.823 0.015 0.000 0.990 387 V HN 1.008 nan 8.190 nan 0.000 0.453 388 A N 4.316 127.177 122.820 0.068 0.000 2.279 388 A HA 0.854 5.180 4.320 0.011 0.000 0.303 388 A C 0.631 178.263 177.584 0.080 0.000 1.108 388 A CA -0.088 51.998 52.037 0.081 0.000 0.830 388 A CB 0.729 19.793 19.000 0.107 0.000 1.106 388 A HN 1.286 nan 8.150 nan 0.000 0.493 389 A N 0.362 123.240 122.820 0.097 0.000 2.498 389 A HA 0.521 4.847 4.320 0.011 0.000 0.239 389 A C 0.768 178.434 177.584 0.138 0.000 1.068 389 A CA 0.626 52.741 52.037 0.130 0.000 0.766 389 A CB -0.312 18.744 19.000 0.094 0.000 1.003 389 A HN 1.785 nan 8.150 nan 0.000 0.497 390 G N 0.905 109.831 108.800 0.209 0.000 3.140 390 G HA2 0.517 4.484 3.960 0.011 0.000 0.271 390 G HA3 0.517 4.484 3.960 0.011 0.000 0.271 390 G C -0.241 174.883 174.900 0.374 0.000 1.370 390 G CA -0.340 44.881 45.100 0.201 0.000 1.014 390 G HN 1.055 nan 8.290 nan 0.000 0.541 391 N N -1.375 117.483 118.700 0.262 0.000 2.431 391 N HA 0.258 5.005 4.740 0.011 0.000 0.289 391 N C -0.044 175.539 175.510 0.122 0.000 1.277 391 N CA -0.603 52.586 53.050 0.231 0.000 0.972 391 N CB 0.625 39.168 38.487 0.093 0.000 1.143 391 N HN 0.325 nan 8.380 nan 0.000 0.578 392 N N -3.044 115.539 118.700 -0.195 0.000 2.480 392 N HA 0.206 4.952 4.740 0.011 0.000 0.281 392 N C -0.848 174.593 175.510 -0.114 0.000 1.381 392 N CA -0.084 52.784 53.050 -0.304 0.000 0.903 392 N CB -0.064 37.969 38.487 -0.756 0.000 1.274 392 N HN 0.691 nan 8.380 nan 0.000 0.505 393 K N -0.878 119.492 120.400 -0.050 0.000 2.592 393 K HA 0.628 4.954 4.320 0.011 0.000 0.203 393 K C 0.423 177.005 176.600 -0.029 0.000 1.070 393 K CA 0.181 56.447 56.287 -0.035 0.000 1.062 393 K CB -0.036 32.446 32.500 -0.030 0.000 0.814 393 K HN 0.320 nan 8.250 nan 0.000 0.502 394 A N 0.422 123.226 122.820 -0.027 0.000 2.511 394 A HA 0.390 4.716 4.320 0.011 0.000 0.242 394 A C 1.353 178.910 177.584 -0.044 0.000 1.069 394 A CA 0.479 52.485 52.037 -0.052 0.000 0.763 394 A CB 0.239 19.189 19.000 -0.082 0.000 1.001 394 A HN 0.366 nan 8.150 nan 0.000 0.498 395 S N 0.997 116.663 115.700 -0.057 0.000 2.446 395 S HA 0.362 4.838 4.470 0.011 0.000 0.225 395 S C 1.145 175.714 174.600 -0.052 0.000 1.016 395 S CA 1.001 59.171 58.200 -0.050 0.000 0.943 395 S CB -0.585 62.581 63.200 -0.057 0.000 0.786 395 S HN 2.257 nan 8.310 nan 0.000 0.508 396 G N 0.495 109.253 108.800 -0.069 0.000 2.755 396 G HA2 0.084 4.051 3.960 0.011 0.000 0.686 396 G HA3 0.084 4.051 3.960 0.011 0.000 0.686 396 G C 0.061 174.916 174.900 -0.075 0.000 1.427 396 G CA -0.794 44.265 45.100 -0.069 0.000 0.873 396 G HN 0.642 nan 8.290 nan 0.000 0.580 397 G N 0.506 109.265 108.800 -0.068 0.000 2.699 397 G HA2 0.515 4.482 3.960 0.011 0.000 0.246 397 G HA3 0.515 4.482 3.960 0.011 0.000 0.246 397 G C -0.449 174.408 174.900 -0.072 0.000 1.219 397 G CA 0.110 45.172 45.100 -0.063 0.000 0.866 397 G HN 0.593 nan 8.290 nan 0.000 0.572 398 P HA -0.107 nan 4.420 nan 0.000 0.214 398 P C 1.208 178.415 177.300 -0.155 0.000 1.163 398 P CA 1.291 64.339 63.100 -0.086 0.000 0.889 398 P CB 0.184 31.849 31.700 -0.058 0.000 0.790 399 D N -1.068 119.186 120.400 -0.243 0.000 2.312 399 D HA -0.064 4.582 4.640 0.011 0.000 0.211 399 D C 1.485 177.508 176.300 -0.462 0.000 0.964 399 D CA 1.018 54.703 54.000 -0.525 0.000 0.877 399 D CB 0.082 40.253 40.800 -1.049 0.000 0.924 399 D HN 0.198 nan 8.370 nan 0.000 0.515 400 V N -1.618 118.161 119.914 -0.224 0.000 3.483 400 V HA 0.160 4.286 4.120 0.011 0.000 0.301 400 V C 0.969 177.027 176.094 -0.060 0.000 1.389 400 V CA -0.241 61.998 62.300 -0.101 0.000 1.101 400 V CB -0.107 31.707 31.823 -0.014 0.000 0.971 400 V HN -0.036 nan 8.190 nan 0.000 0.434 404 P HA -0.107 nan 4.420 nan 0.000 0.216 404 P C 1.499 178.803 177.300 0.008 0.000 1.150 404 P CA 2.057 65.165 63.100 0.012 0.000 0.837 404 P CB 0.074 31.778 31.700 0.006 0.000 0.786 405 A N -0.903 121.919 122.820 0.003 0.000 2.070 405 A HA -0.096 4.230 4.320 0.011 0.000 0.220 405 A C 1.859 179.446 177.584 0.006 0.000 1.159 405 A CA 1.158 53.196 52.037 0.002 0.000 0.656 405 A CB -1.386 17.612 19.000 -0.002 0.000 0.800 405 A HN 0.180 nan 8.150 nan 0.000 0.453 406 L N -1.688 119.540 121.223 0.009 0.000 2.628 406 L HA 0.288 4.635 4.340 0.011 0.000 0.229 406 L C 1.547 178.427 176.870 0.016 0.000 1.137 406 L CA 0.493 55.340 54.840 0.011 0.000 0.909 406 L CB 0.024 42.089 42.059 0.010 0.000 1.137 406 L HN 0.523 nan 8.230 nan 0.000 0.470 407 G N -0.100 108.711 108.800 0.017 0.000 2.176 407 G HA2 -0.229 3.737 3.960 0.011 0.000 0.232 407 G HA3 -0.229 3.737 3.960 0.011 0.000 0.232 407 G C 0.168 175.086 174.900 0.031 0.000 0.986 407 G CA -0.161 44.952 45.100 0.022 0.000 0.643 407 G HN 0.067 nan 8.290 nan 0.000 0.522 408 V N 2.541 122.477 119.914 0.037 0.000 2.432 408 V HA 0.427 4.554 4.120 0.011 0.000 0.271 408 V C -1.494 174.630 176.094 0.050 0.000 1.046 408 V CA -1.480 60.855 62.300 0.058 0.000 0.945 408 V CB 1.333 33.197 31.823 0.069 0.000 0.992 408 V HN 0.107 nan 8.190 nan 0.000 0.471 409 P HA 0.275 nan 4.420 nan 0.000 0.269 409 P C -0.607 176.742 177.300 0.082 0.000 1.215 409 P CA 0.141 63.263 63.100 0.036 0.000 0.780 409 P CB 0.817 32.496 31.700 -0.035 0.000 0.898 410 V N -1.790 118.188 119.914 0.105 0.000 3.181 410 V HA 0.967 5.094 4.120 0.011 0.000 0.308 410 V C -1.187 174.982 176.094 0.126 0.000 1.214 410 V CA -1.423 60.944 62.300 0.113 0.000 1.053 410 V CB 1.706 33.559 31.823 0.049 0.000 1.069 410 V HN 0.624 nan 8.190 nan 0.000 0.441 411 A N 0.740 123.572 122.820 0.020 0.000 2.413 411 A HA 0.911 5.237 4.320 0.011 0.000 0.307 411 A C -0.346 177.046 177.584 -0.319 0.000 1.087 411 A CA -0.581 51.309 52.037 -0.246 0.000 0.750 411 A CB 1.969 20.666 19.000 -0.506 0.000 1.296 411 A HN 1.134 nan 8.150 nan 0.000 0.423 412 S N 0.827 116.299 115.700 -0.379 0.000 2.566 412 S HA 0.484 4.961 4.470 0.011 0.000 0.324 412 S C -0.924 173.424 174.600 -0.420 0.000 1.081 412 S CA -0.256 57.754 58.200 -0.317 0.000 1.105 412 S CB 0.328 63.395 63.200 -0.222 0.000 0.981 412 S HN 0.477 nan 8.310 nan 0.000 0.464 413 L N 4.633 125.603 121.223 -0.422 0.000 2.282 413 L HA 0.388 4.734 4.340 0.011 0.000 0.287 413 L C 0.495 177.190 176.870 -0.292 0.000 1.075 413 L CA -0.221 54.351 54.840 -0.447 0.000 0.839 413 L CB 0.155 41.853 42.059 -0.603 0.000 1.219 413 L HN 0.313 nan 8.230 nan 0.000 0.434 414 R N 3.439 123.705 120.500 -0.389 0.000 2.296 414 R HA 0.232 4.578 4.340 0.011 0.000 0.323 414 R C -0.234 175.837 176.300 -0.383 0.000 1.067 414 R CA -0.106 55.743 56.100 -0.419 0.000 0.946 414 R CB 0.466 30.318 30.300 -0.748 0.000 0.991 414 R HN 0.585 nan 8.270 nan 0.000 0.448 415 Q N 0.836 120.634 119.800 -0.004 0.000 2.230 415 Q HA 0.102 4.448 4.340 0.011 0.000 0.248 415 Q C -0.301 175.850 176.000 0.251 0.000 0.915 415 Q CA -0.648 55.207 55.803 0.087 0.000 0.900 415 Q CB 1.513 30.265 28.738 0.023 0.000 1.229 415 Q HN 0.321 nan 8.270 nan 0.000 0.439 416 D N 1.160 121.694 120.400 0.224 0.000 2.342 416 D HA 0.068 4.714 4.640 0.011 0.000 0.260 416 D C 0.024 176.192 176.300 -0.220 0.000 1.278 416 D CA 0.183 54.243 54.000 0.100 0.000 0.910 416 D CB 0.604 41.436 40.800 0.054 0.000 1.079 416 D HN 0.766 nan 8.370 nan 0.000 0.496 417 G N 2.442 111.011 108.800 -0.385 0.000 3.707 417 G HA2 0.013 3.980 3.960 0.011 0.000 0.286 417 G HA3 0.013 3.980 3.960 0.011 0.000 0.286 417 G C 1.331 176.122 174.900 -0.183 0.000 1.112 417 G CA -0.293 44.342 45.100 -0.775 0.000 0.861 417 G HN 0.416 nan 8.290 nan 0.000 0.534 418 S N 1.485 117.149 115.700 -0.060 0.000 2.387 418 S HA -0.152 4.324 4.470 0.011 0.000 0.230 418 S C 2.026 176.637 174.600 0.019 0.000 1.035 418 S CA 1.679 59.890 58.200 0.019 0.000 1.014 418 S CB -0.015 63.182 63.200 -0.004 0.000 0.836 418 S HN 0.737 nan 8.310 nan 0.000 0.466 419 D N -0.753 119.638 120.400 -0.016 0.000 2.349 419 D HA -0.012 4.634 4.640 0.011 0.000 0.214 419 D C 1.350 177.590 176.300 -0.099 0.000 1.063 419 D CA -0.117 53.858 54.000 -0.041 0.000 0.847 419 D CB -0.518 40.300 40.800 0.030 0.000 0.933 419 D HN 0.428 nan 8.370 nan 0.000 0.513 420 Y N 1.008 121.151 120.300 -0.261 0.000 2.181 420 Y HA -0.096 4.464 4.550 0.016 0.000 0.288 420 Y C 1.173 176.835 175.900 -0.397 0.000 1.146 420 Y CA 1.494 59.359 58.100 -0.391 0.000 1.164 420 Y CB -0.327 37.687 38.460 -0.744 0.000 0.982 420 Y HN -0.161 nan 8.280 nan 0.000 0.515 421 F N 0.403 120.359 119.950 0.011 0.000 2.811 421 F HA 0.001 4.532 4.527 0.007 0.000 0.301 421 F C 1.586 177.377 175.800 -0.016 0.000 1.151 421 F CA 0.368 58.358 58.000 -0.017 0.000 1.412 421 F CB -0.368 38.662 39.000 0.049 0.000 1.113 421 F HN 0.072 nan 8.300 nan 0.000 0.579 422 D N -1.059 119.235 120.400 -0.177 0.000 2.224 422 D HA -0.147 4.500 4.640 0.011 0.000 0.205 422 D C 1.313 177.342 176.300 -0.452 0.000 0.965 422 D CA 1.539 55.280 54.000 -0.431 0.000 0.852 422 D CB -0.113 40.123 40.800 -0.940 0.000 0.947 422 D HN 0.330 nan 8.370 nan 0.000 0.494 423 Y N -1.342 118.957 120.300 -0.001 0.000 2.512 423 Y HA 0.099 4.652 4.550 0.005 0.000 0.268 423 Y C 0.927 176.746 175.900 -0.136 0.000 1.102 423 Y CA -0.669 57.371 58.100 -0.099 0.000 1.261 423 Y CB -0.736 37.657 38.460 -0.113 0.000 1.250 423 Y HN -0.005 nan 8.280 nan 0.000 0.506 424 H N 3.496 122.436 119.070 -0.217 0.000 3.167 424 H HA -0.117 4.447 4.556 0.013 0.000 0.306 424 H C 0.100 175.479 175.328 0.086 0.000 0.965 424 H CA 1.669 57.560 56.048 -0.261 0.000 1.408 424 H CB -0.166 29.237 29.762 -0.600 0.000 1.406 424 H HN 0.685 nan 8.280 nan 0.000 0.576 425 H N 1.381 120.255 119.070 -0.327 0.000 2.992 425 H HA -0.185 4.377 4.556 0.009 0.000 0.266 425 H C 0.154 175.360 175.328 -0.204 0.000 1.200 425 H CA 0.625 56.517 56.048 -0.260 0.000 1.135 425 H CB -1.268 28.274 29.762 -0.367 0.000 1.282 425 H HN 0.766 nan 8.280 nan 0.000 0.351 426 T N -3.259 111.220 114.554 -0.126 0.000 2.949 426 T HA 0.356 4.712 4.350 0.011 0.000 0.287 426 T C -2.036 172.627 174.700 -0.063 0.000 1.034 426 T CA -1.866 60.127 62.100 -0.179 0.000 1.018 426 T CB 2.496 71.178 68.868 -0.309 0.000 1.135 426 T HN -0.275 nan 8.240 nan 0.000 0.532 427 P HA 0.054 nan 4.420 nan 0.000 0.228 427 P C 0.892 178.176 177.300 -0.026 0.000 1.151 427 P CA 0.538 63.626 63.100 -0.021 0.000 0.770 427 P CB -0.038 31.654 31.700 -0.013 0.000 0.786 428 N N -0.454 118.233 118.700 -0.023 0.000 2.398 428 N HA -0.059 4.687 4.740 0.011 0.000 0.188 428 N C -0.030 175.451 175.510 -0.048 0.000 1.122 428 N CA 0.261 53.302 53.050 -0.015 0.000 0.866 428 N CB -0.709 37.819 38.487 0.069 0.000 0.970 428 N HN -0.072 nan 8.380 nan 0.000 0.462 429 D N 0.708 121.091 120.400 -0.029 0.000 2.498 429 D HA 0.034 4.681 4.640 0.011 0.000 0.229 429 D C -0.388 175.867 176.300 -0.076 0.000 1.188 429 D CA 0.086 54.060 54.000 -0.043 0.000 1.028 429 D CB -0.362 40.436 40.800 -0.005 0.000 1.087 429 D HN 0.222 nan 8.370 nan 0.000 0.510 430 T N -0.691 113.788 114.554 -0.125 0.000 2.907 430 T HA 0.238 4.595 4.350 0.011 0.000 0.290 430 T C 1.053 175.679 174.700 -0.123 0.000 1.066 430 T CA -0.932 61.100 62.100 -0.113 0.000 1.012 430 T CB 1.193 69.999 68.868 -0.102 0.000 1.184 430 T HN 0.043 nan 8.240 nan 0.000 0.522 431 L N 1.286 122.449 121.223 -0.099 0.000 2.079 431 L HA -0.053 4.294 4.340 0.011 0.000 0.210 431 L C 2.182 179.023 176.870 -0.047 0.000 1.081 431 L CA 2.414 57.202 54.840 -0.086 0.000 0.752 431 L CB -0.996 41.010 42.059 -0.089 0.000 0.896 431 L HN 0.891 nan 8.230 nan 0.000 0.433 432 D N -1.713 118.652 120.400 -0.058 0.000 2.384 432 D HA -0.202 4.444 4.640 0.011 0.000 0.222 432 D C 1.146 177.379 176.300 -0.112 0.000 0.976 432 D CA 0.501 54.470 54.000 -0.051 0.000 0.915 432 D CB -0.175 40.589 40.800 -0.061 0.000 0.896 432 D HN 0.342 nan 8.370 nan 0.000 0.523 433 K N 0.563 120.847 120.400 -0.193 0.000 2.432 433 K HA 0.169 4.495 4.320 0.011 0.000 0.196 433 K C 1.067 177.596 176.600 -0.117 0.000 1.038 433 K CA -0.077 56.034 56.287 -0.293 0.000 0.986 433 K CB 0.309 32.480 32.500 -0.548 0.000 0.782 433 K HN 0.361 nan 8.250 nan 0.000 0.485 434 I N 2.762 123.307 120.570 -0.041 0.000 2.371 434 I HA 0.003 4.180 4.170 0.011 0.000 0.290 434 I C 0.571 176.720 176.117 0.053 0.000 1.028 434 I CA -0.458 60.857 61.300 0.025 0.000 1.345 434 I CB 0.487 38.517 38.000 0.051 0.000 1.407 434 I HN -0.014 nan 8.210 nan 0.000 0.501 435 N N 9.309 128.036 118.700 0.045 0.000 2.401 435 N HA 0.153 4.899 4.740 0.011 0.000 0.255 435 N C -1.968 173.576 175.510 0.056 0.000 1.110 435 N CA -1.575 51.498 53.050 0.039 0.000 0.949 435 N CB 1.655 40.160 38.487 0.030 0.000 1.110 435 N HN 0.258 nan 8.380 nan 0.000 0.490 436 P HA -0.072 nan 4.420 nan 0.000 0.217 436 P C 1.003 178.329 177.300 0.043 0.000 1.150 436 P CA 0.926 64.061 63.100 0.059 0.000 0.832 436 P CB 0.421 32.081 31.700 -0.066 0.000 0.787 437 E N -0.503 119.709 120.200 0.020 0.000 2.072 437 E HA -0.116 4.240 4.350 0.011 0.000 0.191 437 E C 2.270 178.891 176.600 0.036 0.000 0.985 437 E CA 1.165 57.578 56.400 0.021 0.000 0.801 437 E CB -1.417 28.290 29.700 0.011 0.000 0.750 437 E HN 0.312 nan 8.360 nan 0.000 0.452 438 A N 0.541 123.384 122.820 0.039 0.000 1.902 438 A HA -0.063 4.263 4.320 0.011 0.000 0.217 438 A C 2.250 179.867 177.584 0.056 0.000 1.181 438 A CA 1.566 53.629 52.037 0.044 0.000 0.623 438 A CB -0.579 18.444 19.000 0.037 0.000 0.818 438 A HN 0.360 nan 8.150 nan 0.000 0.443 439 L N -0.224 121.038 121.223 0.065 0.000 2.042 439 L HA -0.112 4.235 4.340 0.011 0.000 0.210 439 L C 2.722 179.644 176.870 0.086 0.000 1.076 439 L CA 2.156 57.042 54.840 0.077 0.000 0.749 439 L CB -0.579 41.542 42.059 0.103 0.000 0.893 439 L HN 0.348 nan 8.230 nan 0.000 0.432 440 A N -1.296 121.574 122.820 0.083 0.000 1.933 440 A HA -0.263 4.063 4.320 0.011 0.000 0.218 440 A C 2.298 179.925 177.584 0.072 0.000 1.175 440 A CA 1.740 53.825 52.037 0.080 0.000 0.628 440 A CB -0.729 18.306 19.000 0.058 0.000 0.814 440 A HN 0.623 nan 8.150 nan 0.000 0.444 441 Q N 0.212 120.051 119.800 0.064 0.000 2.124 441 Q HA -0.185 4.161 4.340 0.011 0.000 0.202 441 Q C 1.698 177.753 176.000 0.091 0.000 0.977 441 Q CA 1.704 57.546 55.803 0.065 0.000 0.850 441 Q CB -0.374 28.397 28.738 0.056 0.000 0.901 441 Q HN 0.752 nan 8.270 nan 0.000 0.429 442 N N -0.260 118.503 118.700 0.104 0.000 2.120 442 N HA -0.129 4.617 4.740 0.011 0.000 0.188 442 N C 1.955 177.593 175.510 0.214 0.000 1.024 442 N CA 1.396 54.542 53.050 0.159 0.000 0.852 442 N CB -0.027 38.536 38.487 0.126 0.000 1.003 442 N HN 0.081 nan 8.380 nan 0.000 0.424 443 V N 1.961 121.971 119.914 0.160 0.000 2.343 443 V HA -0.229 3.897 4.120 0.011 0.000 0.247 443 V C 2.539 178.751 176.094 0.196 0.000 1.051 443 V CA 1.874 64.286 62.300 0.187 0.000 1.036 443 V CB -0.875 31.057 31.823 0.181 0.000 0.654 443 V HN 0.285 nan 8.190 nan 0.000 0.451 444 A N -0.206 122.692 122.820 0.129 0.000 1.877 444 A HA -0.161 4.166 4.320 0.011 0.000 0.216 444 A C 2.375 180.035 177.584 0.126 0.000 1.186 444 A CA 2.189 54.280 52.037 0.090 0.000 0.620 444 A CB -0.696 18.333 19.000 0.049 0.000 0.822 444 A HN 0.345 nan 8.150 nan 0.000 0.443 445 V N -1.801 118.191 119.914 0.131 0.000 2.427 445 V HA -0.235 3.891 4.120 0.011 0.000 0.248 445 V C 2.338 178.499 176.094 0.110 0.000 1.051 445 V CA 1.757 64.113 62.300 0.094 0.000 1.048 445 V CB -1.034 30.806 31.823 0.028 0.000 0.666 445 V HN 0.631 nan 8.190 nan 0.000 0.456 446 Y N 0.640 121.010 120.300 0.115 0.000 2.242 446 Y HA -0.122 4.435 4.550 0.011 0.000 0.291 446 Y C 2.505 178.558 175.900 0.254 0.000 1.137 446 Y CA 1.338 59.539 58.100 0.170 0.000 1.181 446 Y CB -0.595 37.933 38.460 0.113 0.000 0.989 446 Y HN 0.188 nan 8.280 nan 0.000 0.527 447 A N -0.147 122.880 122.820 0.345 0.000 1.902 447 A HA -0.247 4.079 4.320 0.011 0.000 0.217 447 A C 2.100 179.862 177.584 0.295 0.000 1.181 447 A CA 1.798 54.016 52.037 0.301 0.000 0.623 447 A CB -0.651 18.487 19.000 0.230 0.000 0.818 447 A HN 0.514 nan 8.150 nan 0.000 0.443 448 Q N -1.744 118.203 119.800 0.245 0.000 2.020 448 Q HA -0.186 4.160 4.340 0.011 0.000 0.202 448 Q C 1.990 178.161 176.000 0.286 0.000 0.982 448 Q CA 1.705 57.656 55.803 0.247 0.000 0.838 448 Q CB -0.368 28.480 28.738 0.183 0.000 0.899 448 Q HN 0.731 nan 8.270 nan 0.000 0.423 449 F N 1.235 121.247 119.950 0.104 0.000 2.069 449 F HA -0.259 4.275 4.527 0.011 0.000 0.298 449 F C 2.203 178.089 175.800 0.143 0.000 1.113 449 F CA 1.656 59.700 58.000 0.075 0.000 1.214 449 F CB -0.398 38.531 39.000 -0.118 0.000 0.978 449 F HN 0.017 nan 8.300 nan 0.000 0.474 450 A N 0.646 123.629 122.820 0.271 0.000 1.902 450 A HA -0.223 4.103 4.320 0.011 0.000 0.217 450 A C 2.328 179.984 177.584 0.120 0.000 1.181 450 A CA 1.402 53.545 52.037 0.177 0.000 0.623 450 A CB -1.766 17.426 19.000 0.319 0.000 0.818 450 A HN 0.811 nan 8.150 nan 0.000 0.443 451 W N 1.070 122.401 121.300 0.052 0.000 2.378 451 W HA -0.051 4.615 4.660 0.010 0.000 0.313 451 W C 0.560 177.073 176.519 -0.011 0.000 1.197 451 W CA 1.715 59.078 57.345 0.029 0.000 1.304 451 W CB -0.469 29.022 29.460 0.051 0.000 1.148 451 W HN 0.092 nan 8.180 nan 0.000 0.494 455 N N 0.050 118.423 118.700 -0.545 0.000 2.170 455 N HA 0.130 4.877 4.740 0.011 0.000 0.222 455 N C 0.209 175.525 175.510 -0.324 0.000 1.218 455 N CA 0.374 53.129 53.050 -0.492 0.000 0.889 455 N CB 1.152 39.232 38.487 -0.679 0.000 1.083 455 N HN 0.296 nan 8.380 nan 0.000 0.520 456 S N 0.900 116.425 115.700 -0.292 0.000 2.565 456 S HA 0.156 4.633 4.470 0.011 0.000 0.276 456 S C 1.153 175.649 174.600 -0.175 0.000 1.326 456 S CA -0.065 58.036 58.200 -0.165 0.000 1.045 456 S CB 0.773 63.958 63.200 -0.025 0.000 0.918 456 S HN -0.024 nan 8.310 nan 0.000 0.505 457 K N 2.702 123.046 120.400 -0.095 0.000 2.404 457 K HA 0.182 4.508 4.320 0.011 0.000 0.194 457 K C -0.062 176.536 176.600 -0.004 0.000 1.023 457 K CA 0.092 56.338 56.287 -0.068 0.000 1.094 457 K CB -0.157 32.309 32.500 -0.058 0.000 0.841 457 K HN 0.449 nan 8.250 nan 0.000 0.523 458 V N 2.477 122.416 119.914 0.041 0.000 2.637 458 V HA -0.012 4.114 4.120 0.011 0.000 0.296 458 V C 0.551 176.719 176.094 0.124 0.000 1.046 458 V CA -0.491 61.839 62.300 0.049 0.000 1.066 458 V CB 0.788 32.609 31.823 -0.002 0.000 0.968 458 V HN 0.151 nan 8.190 nan 0.000 0.483 459 E N 3.966 124.203 120.200 0.062 0.000 2.180 459 E HA 0.220 4.576 4.350 0.011 0.000 0.283 459 E C 0.318 176.924 176.600 0.011 0.000 1.061 459 E CA 0.131 56.572 56.400 0.068 0.000 0.861 459 E CB 0.667 30.390 29.700 0.037 0.000 1.056 459 E HN 0.589 nan 8.360 nan 0.000 0.407 460 L N 3.665 124.874 121.223 -0.023 0.000 2.567 460 L HA 0.275 4.621 4.340 0.011 0.000 0.225 460 L C 0.900 177.732 176.870 -0.062 0.000 1.119 460 L CA 0.147 54.918 54.840 -0.115 0.000 0.871 460 L CB -0.007 41.863 42.059 -0.314 0.000 1.036 460 L HN 0.327 nan 8.230 nan 0.000 0.459 461 R N 0.461 120.948 120.500 -0.021 0.000 2.832 461 R HA 0.453 4.799 4.340 0.011 0.000 0.271 461 R C -2.389 173.912 176.300 0.002 0.000 0.996 461 R CA -1.722 54.375 56.100 -0.005 0.000 0.977 461 R CB 1.092 31.401 30.300 0.014 0.000 1.168 461 R HN -0.192 nan 8.270 nan 0.000 0.482 462 P HA 0.164 nan 4.420 nan 0.000 0.281 462 P C -0.572 176.726 177.300 -0.003 0.000 1.249 462 P CA -0.377 62.725 63.100 0.003 0.000 0.810 462 P CB 0.768 32.471 31.700 0.005 0.000 1.008 463 L N 3.324 124.546 121.223 -0.002 0.000 2.453 463 L HA 0.217 4.564 4.340 0.011 0.000 0.272 463 L C -1.439 175.427 176.870 -0.006 0.000 1.182 463 L CA -1.668 53.170 54.840 -0.005 0.000 0.858 463 L CB -0.236 41.823 42.059 0.000 0.000 1.120 463 L HN 0.318 nan 8.230 nan 0.000 0.474 464 P HA 0.235 nan 4.420 nan 0.000 0.274 464 P C -2.523 174.770 177.300 -0.010 0.000 1.237 464 P CA -1.340 61.754 63.100 -0.011 0.000 0.793 464 P CB -0.366 31.324 31.700 -0.017 0.000 0.977 465 P HA 0.066 nan 4.420 nan 0.000 0.264 465 P C -0.531 176.762 177.300 -0.011 0.000 1.183 465 P CA 0.477 63.572 63.100 -0.008 0.000 0.763 465 P CB 0.035 31.731 31.700 -0.007 0.000 0.807 466 K N 0.000 120.393 120.400 -0.011 0.000 2.780 466 K HA 0.000 4.326 4.320 0.011 0.000 0.191 466 K CA 0.000 56.279 56.287 -0.014 0.000 0.838 466 K CB 0.000 32.492 32.500 -0.014 0.000 1.064 466 K HN 0.000 nan 8.250 nan 0.000 0.543