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 1i0a_1_C DATA FIRST_RESID 18 DATA SEQUENCE DPIMEILSSS ISTEQRLTEV DIQASMAYAK ALEKASILTK TELEKILSGL DATA SEQUENCE EKISEESSKG VLVMTQSDED IQTAIERRLK ELIGDIAGKL QTGRSRNEQV DATA SEQUENCE VTDLKLLLKS SISVISTHLL QLIKTLVERA AIEIDIIMPG YTHLQKALPI DATA SEQUENCE RWSQFLLSHA VALTRDSERL GEVKKRITVL PLGSGVLAGN PLEIDRELLR DATA SEQUENCE SELDMTSITL NSIDAISERD FVVELISVAT LLMIHLSKLA EDLIIFSTTE DATA SEQUENCE FGFVTLSDAY STGSSLLPQK KNPDSLELIR SKAGRVFGRL AAILMVLKGI DATA SEQUENCE PSTFSKDLQE DKEAVLDVVD TLTAVLQVAT GVISTLQINK ENMEKALTPE DATA SEQUENCE LLSTDLALYL VRKGMPIRQA QTASGKAVHL AETKGITINN LTLEDLKSIS DATA SEQUENCE PLFASDVSQV FSVVNSVEQY TAVGGTAKSS VTAQIEQLRE LLKKQ 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 18 D HA 0.000 nan 4.640 nan 0.000 0.175 18 D C 0.000 176.300 176.300 0.001 0.000 2.045 18 D CA 0.000 54.000 54.000 0.000 0.000 0.868 18 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 19 P HA 0.038 nan 4.420 nan 0.000 0.218 19 P C 1.693 178.993 177.300 -0.000 0.000 1.148 19 P CA 0.715 63.815 63.100 0.001 0.000 0.822 19 P CB 0.271 31.971 31.700 0.000 0.000 0.784 20 I N -1.950 118.619 120.570 -0.001 0.000 2.530 20 I HA -0.226 3.941 4.170 -0.005 0.000 0.257 20 I C 2.236 178.352 176.117 -0.002 0.000 1.179 20 I CA 1.009 62.308 61.300 -0.002 0.000 1.440 20 I CB -0.591 37.407 38.000 -0.003 0.000 1.087 20 I HN -0.033 nan 8.210 nan 0.000 0.440 21 M N 0.205 119.805 119.600 -0.001 0.000 2.149 21 M HA -0.185 4.292 4.480 -0.005 0.000 0.261 21 M C 2.246 178.546 176.300 0.000 0.000 1.064 21 M CA 1.711 57.011 55.300 -0.001 0.000 1.102 21 M CB -0.832 31.769 32.600 0.001 0.000 1.369 21 M HN 0.265 nan 8.290 nan 0.000 0.408 22 E N 0.231 120.431 120.200 0.001 0.000 2.106 22 E HA -0.111 4.236 4.350 -0.005 0.000 0.192 22 E C 2.057 178.658 176.600 0.001 0.000 0.984 22 E CA 1.075 57.477 56.400 0.002 0.000 0.806 22 E CB -0.386 29.316 29.700 0.003 0.000 0.750 22 E HN 0.568 nan 8.360 nan 0.000 0.458 23 I N 1.033 121.602 120.570 -0.001 0.000 2.264 23 I HA -0.258 3.909 4.170 -0.005 0.000 0.248 23 I C 2.291 178.406 176.117 -0.004 0.000 1.111 23 I CA 1.022 62.321 61.300 -0.003 0.000 1.382 23 I CB -0.298 37.700 38.000 -0.003 0.000 1.060 23 I HN 0.030 nan 8.210 nan 0.000 0.418 24 L N -0.243 120.977 121.223 -0.006 0.000 2.554 24 L HA 0.024 4.361 4.340 -0.005 0.000 0.226 24 L C 1.462 178.327 176.870 -0.008 0.000 1.137 24 L CA -0.093 54.742 54.840 -0.009 0.000 0.863 24 L CB -0.282 41.770 42.059 -0.011 0.000 0.985 24 L HN 0.163 nan 8.230 nan 0.000 0.451 25 S N -0.565 115.133 115.700 -0.003 0.000 2.632 25 S HA 0.127 4.594 4.470 -0.005 0.000 0.267 25 S C 0.446 175.047 174.600 0.001 0.000 1.276 25 S CA -0.510 57.691 58.200 0.001 0.000 0.998 25 S CB 1.233 64.437 63.200 0.007 0.000 0.953 25 S HN 0.147 nan 8.310 nan 0.000 0.547 26 S N 2.234 117.937 115.700 0.005 0.000 2.546 26 S HA 0.177 4.644 4.470 -0.005 0.000 0.290 26 S C 0.284 174.887 174.600 0.006 0.000 1.290 26 S CA -0.357 57.846 58.200 0.005 0.000 1.069 26 S CB -0.567 62.640 63.200 0.011 0.000 0.846 26 S HN 0.881 nan 8.310 nan 0.000 0.495 27 S N 5.524 121.226 115.700 0.003 0.000 2.568 27 S HA 0.172 4.639 4.470 -0.005 0.000 0.282 27 S C 1.523 176.127 174.600 0.006 0.000 1.338 27 S CA -0.656 57.546 58.200 0.003 0.000 1.045 27 S CB 0.248 63.449 63.200 0.002 0.000 0.873 27 S HN 0.728 nan 8.310 nan 0.000 0.516 28 I N 1.890 122.463 120.570 0.005 0.000 2.264 28 I HA -0.236 3.931 4.170 -0.005 0.000 0.248 28 I C 2.684 178.805 176.117 0.006 0.000 1.111 28 I CA 1.687 62.991 61.300 0.006 0.000 1.382 28 I CB -0.615 37.388 38.000 0.005 0.000 1.060 28 I HN 0.917 nan 8.210 nan 0.000 0.418 29 S N -0.947 114.756 115.700 0.006 0.000 2.447 29 S HA -0.132 4.335 4.470 -0.005 0.000 0.233 29 S C 1.811 176.416 174.600 0.008 0.000 1.006 29 S CA 1.503 59.706 58.200 0.006 0.000 0.957 29 S CB -0.562 62.642 63.200 0.005 0.000 0.773 29 S HN 0.369 nan 8.310 nan 0.000 0.507 30 T N 1.775 116.334 114.554 0.008 0.000 2.976 30 T HA 0.098 4.445 4.350 -0.005 0.000 0.257 30 T C 1.745 176.452 174.700 0.013 0.000 1.051 30 T CA 0.794 62.900 62.100 0.010 0.000 1.141 30 T CB -0.159 68.714 68.868 0.009 0.000 0.881 30 T HN 0.342 nan 8.240 nan 0.000 0.461 31 E N 1.531 121.738 120.200 0.012 0.000 2.110 31 E HA -0.084 4.263 4.350 -0.005 0.000 0.193 31 E C 2.372 178.979 176.600 0.012 0.000 0.988 31 E CA 0.786 57.194 56.400 0.013 0.000 0.804 31 E CB -0.186 29.521 29.700 0.012 0.000 0.745 31 E HN 0.445 nan 8.360 nan 0.000 0.458 32 Q N 0.320 120.126 119.800 0.010 0.000 2.291 32 Q HA -0.098 4.239 4.340 -0.005 0.000 0.206 32 Q C 1.914 177.920 176.000 0.011 0.000 0.976 32 Q CA 0.671 56.479 55.803 0.009 0.000 0.875 32 Q CB -0.150 28.593 28.738 0.008 0.000 0.927 32 Q HN 0.163 nan 8.270 nan 0.000 0.450 33 R N 0.258 120.766 120.500 0.013 0.000 2.237 33 R HA 0.007 4.344 4.340 -0.005 0.000 0.219 33 R C 1.762 178.071 176.300 0.016 0.000 1.080 33 R CA 0.570 56.679 56.100 0.015 0.000 0.995 33 R CB -0.153 30.157 30.300 0.018 0.000 0.875 33 R HN 0.306 nan 8.270 nan 0.000 0.462 34 L N 0.628 121.860 121.223 0.015 0.000 2.667 34 L HA 0.072 4.409 4.340 -0.005 0.000 0.232 34 L C 1.944 178.819 176.870 0.009 0.000 1.138 34 L CA 0.163 55.012 54.840 0.015 0.000 0.921 34 L CB -0.208 41.862 42.059 0.018 0.000 1.180 34 L HN 0.138 nan 8.230 nan 0.000 0.487 35 T N -2.617 111.942 114.554 0.008 0.000 2.635 35 T HA -0.207 4.140 4.350 -0.005 0.000 0.267 35 T C 1.648 176.351 174.700 0.005 0.000 1.040 35 T CA 1.141 63.245 62.100 0.006 0.000 1.156 35 T CB -0.144 68.728 68.868 0.006 0.000 0.863 35 T HN 0.194 nan 8.240 nan 0.000 0.430 36 E N 1.249 121.452 120.200 0.006 0.000 2.058 36 E HA -0.107 4.240 4.350 -0.005 0.000 0.194 36 E C 2.734 179.336 176.600 0.004 0.000 0.997 36 E CA 1.614 58.018 56.400 0.006 0.000 0.801 36 E CB -0.849 28.855 29.700 0.007 0.000 0.746 36 E HN 0.686 nan 8.360 nan 0.000 0.450 37 V N -0.220 119.696 119.914 0.003 0.000 2.427 37 V HA -0.195 3.922 4.120 -0.005 0.000 0.248 37 V C 2.015 178.106 176.094 -0.004 0.000 1.051 37 V CA 2.353 64.652 62.300 -0.001 0.000 1.048 37 V CB -0.645 31.177 31.823 -0.001 0.000 0.666 37 V HN 0.010 nan 8.190 nan 0.000 0.456 38 D N 0.351 120.749 120.400 -0.004 0.000 2.178 38 D HA -0.111 4.526 4.640 -0.005 0.000 0.201 38 D C 1.856 178.152 176.300 -0.006 0.000 0.980 38 D CA 1.708 55.701 54.000 -0.010 0.000 0.842 38 D CB -0.254 40.541 40.800 -0.010 0.000 0.948 38 D HN 0.577 nan 8.370 nan 0.000 0.472 39 I N 0.017 120.587 120.570 0.000 0.000 2.233 39 I HA -0.208 3.959 4.170 -0.005 0.000 0.243 39 I C 2.395 178.518 176.117 0.010 0.000 1.093 39 I CA 0.804 62.108 61.300 0.006 0.000 1.380 39 I CB -0.286 37.718 38.000 0.006 0.000 1.067 39 I HN 0.078 nan 8.210 nan 0.000 0.413 40 Q N 0.718 120.523 119.800 0.007 0.000 2.124 40 Q HA -0.185 4.152 4.340 -0.005 0.000 0.202 40 Q C 2.429 178.438 176.000 0.015 0.000 0.977 40 Q CA 1.716 57.525 55.803 0.009 0.000 0.850 40 Q CB -0.285 28.456 28.738 0.004 0.000 0.901 40 Q HN 0.571 nan 8.270 nan 0.000 0.429 41 A N 0.284 123.109 122.820 0.008 0.000 1.969 41 A HA -0.127 4.190 4.320 -0.005 0.000 0.218 41 A C 2.208 179.815 177.584 0.039 0.000 1.169 41 A CA 1.439 53.482 52.037 0.010 0.000 0.635 41 A CB -0.250 18.738 19.000 -0.020 0.000 0.810 41 A HN 0.208 nan 8.150 nan 0.000 0.445 42 S N -0.584 115.136 115.700 0.033 0.000 2.387 42 S HA -0.050 4.417 4.470 -0.005 0.000 0.226 42 S C 1.982 176.639 174.600 0.095 0.000 1.026 42 S CA 1.443 59.682 58.200 0.066 0.000 0.972 42 S CB -0.321 62.900 63.200 0.035 0.000 0.814 42 S HN 0.586 nan 8.310 nan 0.000 0.477 43 M N 1.194 120.829 119.600 0.058 0.000 2.099 43 M HA -0.071 4.406 4.480 -0.005 0.000 0.262 43 M C 2.524 178.854 176.300 0.049 0.000 1.067 43 M CA 1.472 56.798 55.300 0.044 0.000 1.124 43 M CB -0.555 32.060 32.600 0.025 0.000 1.353 43 M HN 0.386 nan 8.290 nan 0.000 0.410 44 A N -0.545 122.310 122.820 0.058 0.000 1.902 44 A HA -0.224 4.093 4.320 -0.005 0.000 0.217 44 A C 2.011 179.643 177.584 0.081 0.000 1.181 44 A CA 1.493 53.563 52.037 0.055 0.000 0.623 44 A CB -1.084 17.948 19.000 0.053 0.000 0.818 44 A HN 0.555 nan 8.150 nan 0.000 0.443 45 Y N 0.551 120.843 120.300 -0.014 0.000 2.181 45 Y HA -0.072 4.476 4.550 -0.004 0.000 0.288 45 Y C 2.675 178.567 175.900 -0.013 0.000 1.146 45 Y CA 0.973 59.064 58.100 -0.015 0.000 1.164 45 Y CB -0.526 37.924 38.460 -0.017 0.000 0.982 45 Y HN 0.313 nan 8.280 nan 0.000 0.515 46 A N 0.156 122.993 122.820 0.029 0.000 1.933 46 A HA -0.190 4.127 4.320 -0.005 0.000 0.218 46 A C 2.213 179.747 177.584 -0.085 0.000 1.175 46 A CA 1.845 53.858 52.037 -0.041 0.000 0.628 46 A CB -0.498 18.512 19.000 0.018 0.000 0.814 46 A HN 0.491 nan 8.150 nan 0.000 0.444 47 K N -0.365 120.001 120.400 -0.056 0.000 2.148 47 K HA -0.004 4.313 4.320 -0.005 0.000 0.204 47 K C 2.151 178.697 176.600 -0.090 0.000 1.050 47 K CA 0.987 57.241 56.287 -0.056 0.000 0.942 47 K CB -0.236 32.247 32.500 -0.029 0.000 0.724 47 K HN 0.449 nan 8.250 nan 0.000 0.446 48 A N 1.088 123.825 122.820 -0.139 0.000 2.016 48 A HA -0.017 4.300 4.320 -0.005 0.000 0.217 48 A C 2.022 179.467 177.584 -0.232 0.000 1.162 48 A CA 0.800 52.733 52.037 -0.174 0.000 0.662 48 A CB -0.310 18.573 19.000 -0.195 0.000 0.812 48 A HN 0.119 nan 8.150 nan 0.000 0.450 49 L N -0.714 120.324 121.223 -0.307 0.000 2.109 49 L HA -0.108 4.230 4.340 -0.005 0.000 0.207 49 L C 2.670 179.455 176.870 -0.141 0.000 1.086 49 L CA 1.328 56.010 54.840 -0.263 0.000 0.760 49 L CB -0.337 41.554 42.059 -0.281 0.000 0.910 49 L HN 0.455 nan 8.230 nan 0.000 0.437 50 E N 1.083 121.216 120.200 -0.112 0.000 2.153 50 E HA -0.273 4.074 4.350 -0.005 0.000 0.194 50 E C 2.008 178.571 176.600 -0.062 0.000 0.988 50 E CA 1.293 57.650 56.400 -0.071 0.000 0.811 50 E CB 0.136 29.803 29.700 -0.055 0.000 0.746 50 E HN 0.377 nan 8.360 nan 0.000 0.466 51 K N -0.237 120.120 120.400 -0.072 0.000 2.167 51 K HA 0.040 4.357 4.320 -0.005 0.000 0.203 51 K C 1.668 178.235 176.600 -0.056 0.000 1.052 51 K CA 0.841 57.094 56.287 -0.057 0.000 0.956 51 K CB -0.020 32.446 32.500 -0.056 0.000 0.735 51 K HN 0.057 nan 8.250 nan 0.000 0.451 52 A N 0.289 123.066 122.820 -0.072 0.000 2.259 52 A HA 0.096 4.413 4.320 -0.005 0.000 0.208 52 A C 0.512 178.066 177.584 -0.050 0.000 1.201 52 A CA 0.628 52.628 52.037 -0.062 0.000 0.824 52 A CB -0.149 18.803 19.000 -0.079 0.000 0.838 52 A HN 0.302 nan 8.150 nan 0.000 0.485 53 S N -1.373 114.297 115.700 -0.049 0.000 3.490 53 S HA -0.150 4.317 4.470 -0.005 0.000 0.301 53 S C 0.856 175.434 174.600 -0.037 0.000 1.233 53 S CA 0.837 59.015 58.200 -0.038 0.000 0.914 53 S CB -1.526 61.657 63.200 -0.028 0.000 1.047 53 S HN 0.556 nan 8.310 nan 0.000 0.602 54 I N -0.835 119.706 120.570 -0.049 0.000 2.852 54 I HA 0.191 4.358 4.170 -0.005 0.000 0.264 54 I C 0.671 176.766 176.117 -0.036 0.000 1.179 54 I CA 1.029 62.304 61.300 -0.042 0.000 1.480 54 I CB -0.217 37.751 38.000 -0.054 0.000 1.111 54 I HN 0.248 nan 8.210 nan 0.000 0.441 55 L N 0.316 121.513 121.223 -0.043 0.000 2.365 55 L HA 0.307 4.644 4.340 -0.005 0.000 0.273 55 L C 0.566 177.418 176.870 -0.029 0.000 1.000 55 L CA -0.329 54.490 54.840 -0.034 0.000 0.819 55 L CB 1.690 43.724 42.059 -0.041 0.000 1.284 55 L HN 0.067 nan 8.230 nan 0.000 0.418 56 T N -1.050 113.492 114.554 -0.021 0.000 2.882 56 T HA 0.234 4.581 4.350 -0.005 0.000 0.287 56 T C 1.091 175.780 174.700 -0.018 0.000 1.014 56 T CA -0.527 61.562 62.100 -0.018 0.000 1.049 56 T CB 1.059 69.919 68.868 -0.013 0.000 1.001 56 T HN 0.488 nan 8.240 nan 0.000 0.525 57 K N 0.999 121.389 120.400 -0.016 0.000 2.160 57 K HA -0.115 4.202 4.320 -0.005 0.000 0.206 57 K C 2.081 178.674 176.600 -0.012 0.000 1.047 57 K CA 2.067 58.345 56.287 -0.015 0.000 0.930 57 K CB -1.118 31.374 32.500 -0.013 0.000 0.720 57 K HN 0.774 nan 8.250 nan 0.000 0.450 58 T N 0.542 115.090 114.554 -0.010 0.000 2.770 58 T HA -0.064 4.283 4.350 -0.005 0.000 0.263 58 T C 1.369 176.065 174.700 -0.007 0.000 1.039 58 T CA 1.472 63.567 62.100 -0.008 0.000 1.142 58 T CB -0.196 68.668 68.868 -0.006 0.000 0.868 58 T HN 0.395 nan 8.240 nan 0.000 0.435 59 E N 0.861 121.056 120.200 -0.008 0.000 2.110 59 E HA -0.105 4.242 4.350 -0.005 0.000 0.193 59 E C 2.150 178.746 176.600 -0.007 0.000 0.988 59 E CA 0.725 57.121 56.400 -0.007 0.000 0.804 59 E CB -0.301 29.395 29.700 -0.008 0.000 0.745 59 E HN 0.211 nan 8.360 nan 0.000 0.458 60 L N 1.743 122.960 121.223 -0.011 0.000 2.042 60 L HA -0.212 4.125 4.340 -0.005 0.000 0.210 60 L C 2.051 178.917 176.870 -0.006 0.000 1.076 60 L CA 1.802 56.635 54.840 -0.012 0.000 0.749 60 L CB -0.235 41.813 42.059 -0.018 0.000 0.893 60 L HN -0.018 nan 8.230 nan 0.000 0.432 61 E N -0.080 120.116 120.200 -0.006 0.000 2.051 61 E HA -0.205 4.143 4.350 -0.005 0.000 0.192 61 E C 2.146 178.746 176.600 -0.001 0.000 0.991 61 E CA 1.086 57.484 56.400 -0.004 0.000 0.799 61 E CB -0.375 29.323 29.700 -0.004 0.000 0.748 61 E HN 0.465 nan 8.360 nan 0.000 0.449 62 K N 0.863 121.262 120.400 -0.001 0.000 2.009 62 K HA -0.087 4.230 4.320 -0.005 0.000 0.210 62 K C 2.432 179.034 176.600 0.003 0.000 1.049 62 K CA 0.802 57.090 56.287 0.001 0.000 0.929 62 K CB -0.725 31.775 32.500 0.001 0.000 0.714 62 K HN 0.200 nan 8.250 nan 0.000 0.440 63 I N 0.860 121.433 120.570 0.004 0.000 2.118 63 I HA -0.320 3.847 4.170 -0.005 0.000 0.241 63 I C 2.270 178.393 176.117 0.009 0.000 1.070 63 I CA 1.064 62.369 61.300 0.009 0.000 1.327 63 I CB -0.348 37.659 38.000 0.011 0.000 1.034 63 I HN 0.015 nan 8.210 nan 0.000 0.405 64 L N 0.127 121.354 121.223 0.007 0.000 2.042 64 L HA -0.239 4.098 4.340 -0.005 0.000 0.210 64 L C 2.724 179.598 176.870 0.006 0.000 1.076 64 L CA 1.830 56.674 54.840 0.007 0.000 0.749 64 L CB -0.943 41.118 42.059 0.003 0.000 0.893 64 L HN 0.182 nan 8.230 nan 0.000 0.432 65 S N -0.791 114.912 115.700 0.004 0.000 2.383 65 S HA -0.119 4.349 4.470 -0.005 0.000 0.227 65 S C 2.094 176.697 174.600 0.005 0.000 1.026 65 S CA 1.202 59.404 58.200 0.004 0.000 0.981 65 S CB -0.524 62.678 63.200 0.002 0.000 0.818 65 S HN 0.528 nan 8.310 nan 0.000 0.472 66 G N 1.434 110.237 108.800 0.005 0.000 2.402 66 G HA2 -0.075 3.882 3.960 -0.005 0.000 0.216 66 G HA3 -0.075 3.882 3.960 -0.005 0.000 0.216 66 G C 1.385 176.289 174.900 0.007 0.000 1.162 66 G CA 0.747 45.851 45.100 0.006 0.000 0.777 66 G HN 0.518 nan 8.290 nan 0.000 0.539 67 L N 0.083 121.312 121.223 0.009 0.000 2.141 67 L HA -0.026 4.311 4.340 -0.005 0.000 0.209 67 L C 2.805 179.680 176.870 0.008 0.000 1.094 67 L CA 0.998 55.844 54.840 0.010 0.000 0.763 67 L CB -0.369 41.698 42.059 0.013 0.000 0.908 67 L HN 0.280 nan 8.230 nan 0.000 0.437 68 E N 0.083 120.287 120.200 0.007 0.000 2.106 68 E HA -0.250 4.097 4.350 -0.005 0.000 0.192 68 E C 2.062 178.665 176.600 0.005 0.000 0.984 68 E CA 0.960 57.363 56.400 0.006 0.000 0.806 68 E CB 0.078 29.781 29.700 0.005 0.000 0.750 68 E HN 0.177 nan 8.360 nan 0.000 0.458 69 K N 1.304 121.707 120.400 0.005 0.000 2.025 69 K HA -0.088 4.229 4.320 -0.005 0.000 0.207 69 K C 1.807 178.410 176.600 0.005 0.000 1.049 69 K CA 1.057 57.347 56.287 0.004 0.000 0.933 69 K CB -0.254 32.248 32.500 0.004 0.000 0.714 69 K HN 0.062 nan 8.250 nan 0.000 0.438 70 I N 0.220 120.793 120.570 0.005 0.000 2.286 70 I HA -0.264 3.903 4.170 -0.005 0.000 0.248 70 I C 2.327 178.447 176.117 0.005 0.000 1.115 70 I CA 1.348 62.651 61.300 0.005 0.000 1.392 70 I CB -0.424 37.579 38.000 0.005 0.000 1.065 70 I HN 0.232 nan 8.210 nan 0.000 0.418 71 S N 0.384 116.087 115.700 0.005 0.000 2.399 71 S HA -0.263 4.205 4.470 -0.005 0.000 0.231 71 S C 2.006 176.609 174.600 0.005 0.000 1.022 71 S CA 1.831 60.034 58.200 0.005 0.000 0.983 71 S CB -0.210 62.994 63.200 0.006 0.000 0.803 71 S HN 0.511 nan 8.310 nan 0.000 0.480 72 E N 0.301 120.504 120.200 0.005 0.000 2.072 72 E HA -0.133 4.214 4.350 -0.005 0.000 0.190 72 E C 2.007 178.610 176.600 0.005 0.000 0.982 72 E CA 1.188 57.590 56.400 0.005 0.000 0.803 72 E CB -0.146 29.556 29.700 0.004 0.000 0.755 72 E HN 0.680 nan 8.360 nan 0.000 0.453 73 E N 0.199 120.401 120.200 0.005 0.000 2.077 73 E HA -0.174 4.173 4.350 -0.005 0.000 0.193 73 E C 2.158 178.761 176.600 0.005 0.000 0.989 73 E CA 1.074 57.477 56.400 0.004 0.000 0.800 73 E CB -0.177 29.526 29.700 0.004 0.000 0.746 73 E HN 0.113 nan 8.360 nan 0.000 0.452 74 S N 0.474 116.177 115.700 0.005 0.000 2.383 74 S HA -0.149 4.319 4.470 -0.005 0.000 0.229 74 S C 2.087 176.691 174.600 0.006 0.000 1.030 74 S CA 1.518 59.721 58.200 0.006 0.000 1.002 74 S CB -0.078 63.126 63.200 0.006 0.000 0.829 74 S HN 0.114 nan 8.310 nan 0.000 0.467 75 S N 0.772 116.475 115.700 0.006 0.000 2.428 75 S HA 0.105 4.572 4.470 -0.005 0.000 0.230 75 S C 1.621 176.225 174.600 0.006 0.000 1.014 75 S CA 0.641 58.845 58.200 0.007 0.000 0.957 75 S CB -0.114 63.090 63.200 0.006 0.000 0.784 75 S HN 0.543 nan 8.310 nan 0.000 0.499 76 K N 0.511 120.914 120.400 0.006 0.000 2.444 76 K HA 0.198 4.516 4.320 -0.005 0.000 0.193 76 K C 1.025 177.628 176.600 0.005 0.000 1.024 76 K CA 0.384 56.674 56.287 0.005 0.000 1.077 76 K CB 0.191 32.694 32.500 0.005 0.000 0.833 76 K HN 0.373 nan 8.250 nan 0.000 0.517 77 G N 1.783 110.586 108.800 0.006 0.000 2.198 77 G HA2 -0.240 3.717 3.960 -0.005 0.000 0.257 77 G HA3 -0.240 3.717 3.960 -0.005 0.000 0.257 77 G C 0.510 175.413 174.900 0.005 0.000 1.042 77 G CA 0.456 45.559 45.100 0.006 0.000 0.791 77 G HN 0.304 nan 8.290 nan 0.000 0.502 78 V N -2.738 117.179 119.914 0.005 0.000 3.427 78 V HA 0.649 4.766 4.120 -0.005 0.000 0.305 78 V C 0.919 177.015 176.094 0.004 0.000 1.412 78 V CA 0.286 62.588 62.300 0.004 0.000 1.086 78 V CB 0.571 32.396 31.823 0.004 0.000 0.964 78 V HN 0.719 nan 8.190 nan 0.000 0.439 79 L N 3.952 125.177 121.223 0.004 0.000 2.407 79 L HA 0.471 4.808 4.340 -0.005 0.000 0.282 79 L C 0.166 177.038 176.870 0.004 0.000 1.110 79 L CA 0.063 54.906 54.840 0.004 0.000 0.863 79 L CB 0.768 42.829 42.059 0.004 0.000 1.207 79 L HN 0.338 nan 8.230 nan 0.000 0.454 80 V N 3.978 123.894 119.914 0.004 0.000 2.607 80 V HA 0.531 4.648 4.120 -0.005 0.000 0.289 80 V C 0.007 176.103 176.094 0.003 0.000 1.053 80 V CA -0.694 61.608 62.300 0.003 0.000 0.996 80 V CB 1.346 33.171 31.823 0.003 0.000 0.995 80 V HN 0.940 nan 8.190 nan 0.000 0.476 81 M N 4.941 124.543 119.600 0.004 0.000 2.457 81 M HA 0.637 5.114 4.480 -0.005 0.000 0.300 81 M C -0.242 176.060 176.300 0.004 0.000 1.141 81 M CA -0.245 55.057 55.300 0.004 0.000 0.901 81 M CB 2.358 34.961 32.600 0.004 0.000 1.687 81 M HN 1.117 nan 8.290 nan 0.000 0.449 82 T N -0.369 114.187 114.554 0.003 0.000 2.948 82 T HA 0.296 4.643 4.350 -0.005 0.000 0.285 82 T C 0.519 175.221 174.700 0.004 0.000 1.019 82 T CA -0.623 61.479 62.100 0.003 0.000 1.013 82 T CB 1.668 70.537 68.868 0.003 0.000 1.117 82 T HN 0.866 nan 8.240 nan 0.000 0.533 83 Q N 0.282 120.084 119.800 0.004 0.000 2.170 83 Q HA -0.100 4.237 4.340 -0.005 0.000 0.203 83 Q C 2.144 178.147 176.000 0.004 0.000 0.976 83 Q CA 1.652 57.457 55.803 0.004 0.000 0.858 83 Q CB -0.371 28.369 28.738 0.003 0.000 0.907 83 Q HN 0.788 nan 8.270 nan 0.000 0.433 84 S N 1.169 116.871 115.700 0.004 0.000 2.370 84 S HA -0.099 4.368 4.470 -0.005 0.000 0.226 84 S C 0.195 174.798 174.600 0.004 0.000 1.033 84 S CA 0.964 59.166 58.200 0.004 0.000 1.011 84 S CB -0.263 62.939 63.200 0.003 0.000 0.852 84 S HN 0.472 nan 8.310 nan 0.000 0.457 85 D N 1.350 121.752 120.400 0.004 0.000 2.424 85 D HA 0.117 4.754 4.640 -0.005 0.000 0.244 85 D C 0.751 177.054 176.300 0.006 0.000 1.134 85 D CA 0.236 54.238 54.000 0.004 0.000 0.881 85 D CB 0.764 41.565 40.800 0.003 0.000 1.191 85 D HN 0.385 nan 8.370 nan 0.000 0.445 86 E N 0.328 120.532 120.200 0.007 0.000 2.340 86 E HA 0.003 4.350 4.350 -0.005 0.000 0.198 86 E C -0.262 176.345 176.600 0.013 0.000 0.961 86 E CA 0.197 56.603 56.400 0.011 0.000 0.905 86 E CB 0.457 30.166 29.700 0.015 0.000 0.884 86 E HN 0.554 nan 8.360 nan 0.000 0.491 87 D N -1.047 119.359 120.400 0.011 0.000 2.531 87 D HA 0.112 4.749 4.640 -0.005 0.000 0.244 87 D C 0.484 176.788 176.300 0.006 0.000 1.090 87 D CA -0.757 53.251 54.000 0.012 0.000 0.989 87 D CB 0.776 41.585 40.800 0.015 0.000 1.433 87 D HN -0.209 nan 8.370 nan 0.000 0.492 88 I N -0.056 120.518 120.570 0.007 0.000 2.394 88 I HA -0.206 3.961 4.170 -0.005 0.000 0.251 88 I C 1.739 177.855 176.117 -0.002 0.000 1.136 88 I CA 1.705 63.007 61.300 0.004 0.000 1.425 88 I CB -0.408 37.596 38.000 0.006 0.000 1.079 88 I HN 0.359 nan 8.210 nan 0.000 0.425 89 Q N -0.275 119.521 119.800 -0.007 0.000 2.061 89 Q HA -0.171 4.166 4.340 -0.005 0.000 0.204 89 Q C 2.248 178.240 176.000 -0.015 0.000 0.984 89 Q CA 2.609 58.402 55.803 -0.017 0.000 0.846 89 Q CB -0.972 27.748 28.738 -0.030 0.000 0.902 89 Q HN 0.428 nan 8.270 nan 0.000 0.421 90 T N 0.403 114.950 114.554 -0.011 0.000 2.821 90 T HA -0.096 4.251 4.350 -0.005 0.000 0.267 90 T C 1.803 176.501 174.700 -0.004 0.000 1.046 90 T CA 1.133 63.228 62.100 -0.008 0.000 1.139 90 T CB -0.377 68.488 68.868 -0.005 0.000 0.871 90 T HN 0.413 nan 8.240 nan 0.000 0.454 91 A N 1.598 124.417 122.820 -0.002 0.000 1.898 91 A HA -0.016 4.301 4.320 -0.005 0.000 0.216 91 A C 2.202 179.786 177.584 0.000 0.000 1.181 91 A CA 0.969 53.007 52.037 0.000 0.000 0.620 91 A CB -0.559 18.442 19.000 0.002 0.000 0.819 91 A HN 0.392 nan 8.150 nan 0.000 0.442 92 I N 0.258 120.827 120.570 -0.001 0.000 2.226 92 I HA -0.215 3.952 4.170 -0.005 0.000 0.245 92 I C 2.297 178.414 176.117 0.000 0.000 1.100 92 I CA 1.541 62.840 61.300 -0.000 0.000 1.374 92 I CB -1.614 36.385 38.000 -0.002 0.000 1.057 92 I HN 0.487 nan 8.210 nan 0.000 0.413 93 E N 0.471 120.669 120.200 -0.002 0.000 2.072 93 E HA -0.233 4.114 4.350 -0.005 0.000 0.191 93 E C 2.307 178.908 176.600 0.002 0.000 0.985 93 E CA 0.947 57.347 56.400 -0.000 0.000 0.801 93 E CB -0.221 29.477 29.700 -0.004 0.000 0.750 93 E HN 0.392 nan 8.360 nan 0.000 0.452 94 R N 1.196 121.697 120.500 0.001 0.000 2.073 94 R HA -0.180 4.157 4.340 -0.005 0.000 0.234 94 R C 2.372 178.674 176.300 0.002 0.000 1.134 94 R CA 1.522 57.623 56.100 0.001 0.000 0.952 94 R CB -0.051 30.249 30.300 0.001 0.000 0.850 94 R HN -0.092 nan 8.270 nan 0.000 0.433 95 R N 0.905 121.407 120.500 0.003 0.000 2.096 95 R HA -0.026 4.311 4.340 -0.005 0.000 0.235 95 R C 2.149 178.452 176.300 0.004 0.000 1.127 95 R CA 1.305 57.407 56.100 0.003 0.000 0.968 95 R CB -0.792 29.510 30.300 0.003 0.000 0.861 95 R HN 0.385 nan 8.270 nan 0.000 0.440 96 L N 0.309 121.535 121.223 0.005 0.000 2.056 96 L HA -0.145 4.192 4.340 -0.005 0.000 0.207 96 L C 2.264 179.138 176.870 0.006 0.000 1.078 96 L CA 1.770 56.614 54.840 0.006 0.000 0.749 96 L CB -0.398 41.666 42.059 0.009 0.000 0.901 96 L HN 0.298 nan 8.230 nan 0.000 0.433 97 K N 0.178 120.581 120.400 0.005 0.000 2.097 97 K HA -0.220 4.097 4.320 -0.005 0.000 0.206 97 K C 1.709 178.311 176.600 0.004 0.000 1.049 97 K CA 1.579 57.869 56.287 0.005 0.000 0.933 97 K CB 0.032 32.535 32.500 0.004 0.000 0.717 97 K HN 0.411 nan 8.250 nan 0.000 0.442 98 E N 0.225 120.427 120.200 0.003 0.000 2.274 98 E HA -0.115 4.232 4.350 -0.005 0.000 0.194 98 E C 1.831 178.433 176.600 0.003 0.000 0.996 98 E CA 0.725 57.127 56.400 0.003 0.000 0.840 98 E CB 0.142 29.843 29.700 0.003 0.000 0.772 98 E HN 0.337 nan 8.360 nan 0.000 0.491 99 L N -0.436 120.789 121.223 0.004 0.000 2.408 99 L HA 0.046 4.383 4.340 -0.005 0.000 0.215 99 L C 1.602 178.474 176.870 0.003 0.000 1.081 99 L CA 0.282 55.124 54.840 0.003 0.000 0.840 99 L CB 0.363 42.424 42.059 0.004 0.000 1.002 99 L HN 0.110 nan 8.230 nan 0.000 0.468 100 I N -1.507 119.065 120.570 0.004 0.000 4.471 100 I HA 0.330 4.497 4.170 -0.005 0.000 0.326 100 I C 1.015 177.134 176.117 0.004 0.000 1.300 100 I CA 0.441 61.744 61.300 0.004 0.000 1.237 100 I CB 0.748 38.751 38.000 0.005 0.000 1.195 100 I HN 0.184 nan 8.210 nan 0.000 0.427 101 G N 0.591 109.393 108.800 0.004 0.000 2.660 101 G HA2 -0.237 3.720 3.960 -0.005 0.000 0.215 101 G HA3 -0.237 3.720 3.960 -0.005 0.000 0.215 101 G C 0.405 175.308 174.900 0.004 0.000 1.345 101 G CA -0.059 45.043 45.100 0.003 0.000 0.877 101 G HN 0.082 nan 8.290 nan 0.000 0.549 102 D N -0.228 120.174 120.400 0.003 0.000 2.248 102 D HA -0.224 4.413 4.640 -0.005 0.000 0.191 102 D C 2.629 178.932 176.300 0.005 0.000 1.013 102 D CA 1.974 55.976 54.000 0.004 0.000 0.883 102 D CB -0.128 40.673 40.800 0.003 0.000 0.915 102 D HN 0.415 nan 8.370 nan 0.000 0.448 103 I N 1.323 121.896 120.570 0.005 0.000 2.315 103 I HA -0.264 3.904 4.170 -0.005 0.000 0.251 103 I C 2.670 178.793 176.117 0.009 0.000 1.125 103 I CA 0.791 62.094 61.300 0.005 0.000 1.392 103 I CB -1.577 36.425 38.000 0.004 0.000 1.065 103 I HN -0.085 nan 8.210 nan 0.000 0.424 104 A N 1.364 124.190 122.820 0.010 0.000 1.917 104 A HA -0.173 4.144 4.320 -0.005 0.000 0.219 104 A C 2.568 180.162 177.584 0.018 0.000 1.182 104 A CA 2.099 54.144 52.037 0.014 0.000 0.633 104 A CB -1.443 17.564 19.000 0.011 0.000 0.819 104 A HN 0.447 nan 8.150 nan 0.000 0.448 105 G N -0.269 108.539 108.800 0.014 0.000 2.462 105 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.220 105 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.220 105 G C 1.494 176.409 174.900 0.024 0.000 1.121 105 G CA 1.090 46.200 45.100 0.016 0.000 0.758 105 G HN 0.494 nan 8.290 nan 0.000 0.559 106 K N -0.024 120.390 120.400 0.023 0.000 2.209 106 K HA -0.013 4.304 4.320 -0.005 0.000 0.204 106 K C 2.237 178.868 176.600 0.051 0.000 1.048 106 K CA 0.428 56.731 56.287 0.027 0.000 0.940 106 K CB -0.523 31.985 32.500 0.013 0.000 0.729 106 K HN 0.391 nan 8.250 nan 0.000 0.451 107 L N 2.298 123.558 121.223 0.061 0.000 2.353 107 L HA -0.164 4.173 4.340 -0.005 0.000 0.220 107 L C 1.891 178.866 176.870 0.176 0.000 1.133 107 L CA 1.570 56.478 54.840 0.114 0.000 0.798 107 L CB -0.387 41.726 42.059 0.089 0.000 0.922 107 L HN 0.272 nan 8.230 nan 0.000 0.445 108 Q N -1.784 118.078 119.800 0.103 0.000 2.204 108 Q HA 0.140 4.477 4.340 -0.005 0.000 0.209 108 Q C -0.261 175.795 176.000 0.093 0.000 0.861 108 Q CA -0.145 55.702 55.803 0.073 0.000 0.971 108 Q CB -0.537 28.209 28.738 0.014 0.000 1.095 108 Q HN 0.282 nan 8.270 nan 0.000 0.486 109 T N 1.308 115.945 114.554 0.139 0.000 2.769 109 T HA 0.336 4.684 4.350 -0.005 0.000 0.293 109 T C 1.115 175.909 174.700 0.157 0.000 0.931 109 T CA 0.630 62.793 62.100 0.105 0.000 1.139 109 T CB 0.860 69.767 68.868 0.066 0.000 0.881 109 T HN 0.667 nan 8.240 nan 0.000 0.532 110 G N 3.116 111.973 108.800 0.095 0.000 2.189 110 G HA2 -0.288 3.669 3.960 -0.005 0.000 0.267 110 G HA3 -0.288 3.669 3.960 -0.005 0.000 0.267 110 G C 0.242 175.196 174.900 0.091 0.000 0.975 110 G CA 0.389 45.547 45.100 0.097 0.000 0.644 110 G HN 0.794 nan 8.290 nan 0.000 0.537 111 R N 0.159 120.682 120.500 0.038 0.000 2.536 111 R HA 0.670 5.007 4.340 -0.005 0.000 0.279 111 R C -0.246 175.975 176.300 -0.132 0.000 1.001 111 R CA 0.225 56.235 56.100 -0.150 0.000 1.027 111 R CB 1.253 31.312 30.300 -0.401 0.000 1.096 111 R HN 0.245 nan 8.270 nan 0.000 0.502 112 S N 0.991 116.590 115.700 -0.169 0.000 2.568 112 S HA 0.270 4.737 4.470 -0.005 0.000 0.293 112 S C 0.562 175.047 174.600 -0.192 0.000 1.089 112 S CA -0.799 57.305 58.200 -0.159 0.000 0.945 112 S CB 1.880 64.987 63.200 -0.154 0.000 1.077 112 S HN 0.774 nan 8.310 nan 0.000 0.485 113 R N 2.363 122.747 120.500 -0.194 0.000 2.096 113 R HA -0.021 4.316 4.340 -0.005 0.000 0.235 113 R C 1.451 177.585 176.300 -0.276 0.000 1.127 113 R CA 2.109 58.091 56.100 -0.197 0.000 0.968 113 R CB -0.393 29.803 30.300 -0.173 0.000 0.861 113 R HN 0.662 nan 8.270 nan 0.000 0.440 114 N N 0.747 119.189 118.700 -0.429 0.000 2.205 114 N HA -0.215 4.522 4.740 -0.005 0.000 0.186 114 N C 1.318 176.680 175.510 -0.246 0.000 1.015 114 N CA 1.841 54.542 53.050 -0.581 0.000 0.862 114 N CB -0.178 37.925 38.487 -0.640 0.000 0.986 114 N HN 0.648 nan 8.380 nan 0.000 0.429 115 E N 0.216 120.306 120.200 -0.183 0.000 2.340 115 E HA -0.023 4.324 4.350 -0.005 0.000 0.194 115 E C 1.551 178.088 176.600 -0.105 0.000 0.996 115 E CA 0.237 56.568 56.400 -0.115 0.000 0.869 115 E CB -0.226 29.402 29.700 -0.119 0.000 0.835 115 E HN 0.301 nan 8.360 nan 0.000 0.493 116 Q N 1.189 120.912 119.800 -0.128 0.000 2.050 116 Q HA -0.131 4.206 4.340 -0.005 0.000 0.202 116 Q C 2.631 178.601 176.000 -0.049 0.000 0.980 116 Q CA 2.310 58.051 55.803 -0.104 0.000 0.840 116 Q CB -0.153 28.517 28.738 -0.113 0.000 0.898 116 Q HN 0.411 nan 8.270 nan 0.000 0.424 117 V N -1.349 118.551 119.914 -0.024 0.000 2.343 117 V HA -0.188 3.929 4.120 -0.005 0.000 0.247 117 V C 2.304 178.440 176.094 0.070 0.000 1.051 117 V CA 1.668 63.989 62.300 0.035 0.000 1.036 117 V CB -1.479 30.391 31.823 0.078 0.000 0.654 117 V HN 0.300 nan 8.190 nan 0.000 0.451 118 V N -0.922 119.038 119.914 0.076 0.000 2.407 118 V HA -0.183 3.934 4.120 -0.005 0.000 0.248 118 V C 2.450 178.536 176.094 -0.014 0.000 1.055 118 V CA 2.539 64.904 62.300 0.108 0.000 1.049 118 V CB -2.048 29.842 31.823 0.111 0.000 0.662 118 V HN 0.548 nan 8.190 nan 0.000 0.455 119 T N 0.595 115.125 114.554 -0.041 0.000 2.737 119 T HA -0.146 4.201 4.350 -0.005 0.000 0.265 119 T C 1.652 176.317 174.700 -0.058 0.000 1.038 119 T CA 1.933 63.989 62.100 -0.073 0.000 1.144 119 T CB -0.497 68.331 68.868 -0.067 0.000 0.866 119 T HN 0.562 nan 8.240 nan 0.000 0.434 120 D N 1.086 121.471 120.400 -0.025 0.000 2.117 120 D HA -0.009 4.628 4.640 -0.005 0.000 0.197 120 D C 2.146 178.453 176.300 0.011 0.000 0.987 120 D CA 0.598 54.593 54.000 -0.008 0.000 0.829 120 D CB -0.511 40.291 40.800 0.003 0.000 0.961 120 D HN 0.245 nan 8.370 nan 0.000 0.460 121 L N 0.527 121.778 121.223 0.048 0.000 1.994 121 L HA -0.198 4.139 4.340 -0.005 0.000 0.208 121 L C 2.347 179.247 176.870 0.051 0.000 1.071 121 L CA 1.393 56.298 54.840 0.109 0.000 0.745 121 L CB -0.158 42.058 42.059 0.262 0.000 0.892 121 L HN 0.016 nan 8.230 nan 0.000 0.431 122 K N -0.266 120.069 120.400 -0.108 0.000 2.063 122 K HA -0.201 4.116 4.320 -0.005 0.000 0.208 122 K C 2.046 178.580 176.600 -0.111 0.000 1.048 122 K CA 1.225 57.362 56.287 -0.250 0.000 0.928 122 K CB -0.183 32.043 32.500 -0.456 0.000 0.713 122 K HN 0.276 nan 8.250 nan 0.000 0.442 123 L N 0.526 121.704 121.223 -0.076 0.000 2.046 123 L HA -0.215 4.122 4.340 -0.005 0.000 0.208 123 L C 2.442 179.302 176.870 -0.017 0.000 1.077 123 L CA 0.656 55.470 54.840 -0.043 0.000 0.747 123 L CB -0.390 41.650 42.059 -0.031 0.000 0.896 123 L HN 0.199 nan 8.230 nan 0.000 0.432 124 L N -0.448 120.775 121.223 0.000 0.000 2.027 124 L HA -0.195 4.142 4.340 -0.005 0.000 0.206 124 L C 2.289 179.175 176.870 0.026 0.000 1.074 124 L CA 1.663 56.513 54.840 0.018 0.000 0.745 124 L CB -0.500 41.577 42.059 0.031 0.000 0.898 124 L HN 0.044 nan 8.230 nan 0.000 0.433 125 L N 0.050 121.297 121.223 0.040 0.000 2.127 125 L HA -0.226 4.111 4.340 -0.005 0.000 0.211 125 L C 2.559 179.448 176.870 0.030 0.000 1.089 125 L CA 1.678 56.552 54.840 0.057 0.000 0.757 125 L CB -1.090 41.037 42.059 0.113 0.000 0.899 125 L HN 0.398 nan 8.230 nan 0.000 0.434 126 K N -0.942 119.460 120.400 0.003 0.000 2.063 126 K HA -0.162 4.155 4.320 -0.005 0.000 0.208 126 K C 2.088 178.689 176.600 0.002 0.000 1.048 126 K CA 1.712 57.995 56.287 -0.006 0.000 0.928 126 K CB 0.073 32.559 32.500 -0.023 0.000 0.713 126 K HN 0.291 nan 8.250 nan 0.000 0.442 127 S N 0.396 116.099 115.700 0.005 0.000 2.357 127 S HA -0.070 4.397 4.470 -0.005 0.000 0.221 127 S C 2.006 176.613 174.600 0.012 0.000 1.031 127 S CA 1.275 59.478 58.200 0.006 0.000 0.982 127 S CB -0.149 63.055 63.200 0.008 0.000 0.853 127 S HN 0.311 nan 8.310 nan 0.000 0.458 128 S N 1.983 117.697 115.700 0.022 0.000 2.365 128 S HA -0.070 4.397 4.470 -0.005 0.000 0.225 128 S C 1.802 176.420 174.600 0.030 0.000 1.039 128 S CA 1.226 59.445 58.200 0.032 0.000 1.033 128 S CB -0.540 62.685 63.200 0.041 0.000 0.887 128 S HN 0.410 nan 8.310 nan 0.000 0.447 129 I N 1.412 121.998 120.570 0.027 0.000 2.264 129 I HA -0.196 3.971 4.170 -0.005 0.000 0.248 129 I C 2.387 178.509 176.117 0.008 0.000 1.111 129 I CA 0.945 62.259 61.300 0.023 0.000 1.382 129 I CB -0.501 37.513 38.000 0.024 0.000 1.060 129 I HN 0.236 nan 8.210 nan 0.000 0.418 130 S N 0.457 116.156 115.700 -0.002 0.000 2.356 130 S HA -0.140 4.327 4.470 -0.005 0.000 0.223 130 S C 2.119 176.693 174.600 -0.043 0.000 1.032 130 S CA 1.261 59.449 58.200 -0.020 0.000 1.005 130 S CB -0.354 62.834 63.200 -0.021 0.000 0.867 130 S HN 0.227 nan 8.310 nan 0.000 0.449 131 V N 2.306 122.200 119.914 -0.033 0.000 2.255 131 V HA -0.196 3.921 4.120 -0.005 0.000 0.247 131 V C 2.113 178.176 176.094 -0.052 0.000 1.051 131 V CA 1.679 63.941 62.300 -0.065 0.000 1.018 131 V CB -0.722 31.111 31.823 0.018 0.000 0.641 131 V HN 0.442 nan 8.190 nan 0.000 0.445 132 I N 0.022 120.615 120.570 0.038 0.000 2.163 132 I HA -0.288 3.880 4.170 -0.005 0.000 0.243 132 I C 2.757 178.899 176.117 0.043 0.000 1.085 132 I CA 1.973 63.321 61.300 0.081 0.000 1.347 132 I CB -0.533 37.505 38.000 0.063 0.000 1.044 132 I HN 0.349 nan 8.210 nan 0.000 0.408 133 S N 0.126 115.829 115.700 0.004 0.000 2.370 133 S HA -0.215 4.252 4.470 -0.005 0.000 0.226 133 S C 2.065 176.648 174.600 -0.029 0.000 1.033 133 S CA 2.340 60.537 58.200 -0.005 0.000 1.011 133 S CB -0.375 62.819 63.200 -0.011 0.000 0.852 133 S HN 0.452 nan 8.310 nan 0.000 0.457 134 T N 0.771 115.267 114.554 -0.096 0.000 2.652 134 T HA -0.117 4.230 4.350 -0.005 0.000 0.267 134 T C 1.441 176.073 174.700 -0.112 0.000 1.039 134 T CA 1.992 64.003 62.100 -0.148 0.000 1.153 134 T CB -0.629 68.073 68.868 -0.276 0.000 0.863 134 T HN 0.688 nan 8.240 nan 0.000 0.428 135 H N 0.139 119.214 119.070 0.008 0.000 2.423 135 H HA 0.160 4.713 4.556 -0.005 0.000 0.297 135 H C 2.292 177.622 175.328 0.003 0.000 1.075 135 H CA 0.591 56.643 56.048 0.007 0.000 1.342 135 H CB -0.059 29.709 29.762 0.009 0.000 1.395 135 H HN 0.139 nan 8.280 nan 0.000 0.530 136 L N 0.072 121.360 121.223 0.108 0.000 2.005 136 L HA -0.187 4.151 4.340 -0.005 0.000 0.207 136 L C 1.750 178.643 176.870 0.039 0.000 1.072 136 L CA 0.879 55.757 54.840 0.063 0.000 0.744 136 L CB -0.094 41.992 42.059 0.045 0.000 0.895 136 L HN 0.283 nan 8.230 nan 0.000 0.433 137 L N -0.182 121.056 121.223 0.025 0.000 2.079 137 L HA -0.259 4.078 4.340 -0.005 0.000 0.210 137 L C 2.514 179.393 176.870 0.016 0.000 1.081 137 L CA 1.610 56.457 54.840 0.012 0.000 0.752 137 L CB -1.160 40.899 42.059 -0.001 0.000 0.896 137 L HN 0.359 nan 8.230 nan 0.000 0.433 138 Q N -0.742 119.077 119.800 0.032 0.000 2.119 138 Q HA -0.189 4.149 4.340 -0.005 0.000 0.201 138 Q C 2.102 178.120 176.000 0.030 0.000 0.972 138 Q CA 1.456 57.283 55.803 0.039 0.000 0.847 138 Q CB -0.442 28.341 28.738 0.076 0.000 0.903 138 Q HN 0.389 nan 8.270 nan 0.000 0.433 139 L N -0.310 120.931 121.223 0.030 0.000 2.056 139 L HA -0.053 4.284 4.340 -0.005 0.000 0.207 139 L C 1.937 178.800 176.870 -0.011 0.000 1.078 139 L CA 1.679 56.521 54.840 0.004 0.000 0.749 139 L CB -0.530 41.530 42.059 0.002 0.000 0.901 139 L HN 0.351 nan 8.230 nan 0.000 0.433 140 I N -0.378 120.188 120.570 -0.007 0.000 2.252 140 I HA -0.293 3.874 4.170 -0.005 0.000 0.245 140 I C 2.582 178.688 176.117 -0.018 0.000 1.102 140 I CA 1.568 62.857 61.300 -0.019 0.000 1.385 140 I CB -0.495 37.497 38.000 -0.014 0.000 1.064 140 I HN 0.326 nan 8.210 nan 0.000 0.414 141 K N 0.771 121.167 120.400 -0.006 0.000 2.063 141 K HA -0.186 4.131 4.320 -0.005 0.000 0.208 141 K C 2.073 178.672 176.600 -0.002 0.000 1.048 141 K CA 1.981 58.266 56.287 -0.003 0.000 0.928 141 K CB -0.093 32.410 32.500 0.005 0.000 0.713 141 K HN 0.235 nan 8.250 nan 0.000 0.442 142 T N 1.880 116.434 114.554 0.000 0.000 2.684 142 T HA -0.147 4.200 4.350 -0.005 0.000 0.267 142 T C 1.823 176.521 174.700 -0.004 0.000 1.036 142 T CA 1.506 63.608 62.100 0.004 0.000 1.148 142 T CB -0.165 68.704 68.868 0.002 0.000 0.863 142 T HN 0.160 nan 8.240 nan 0.000 0.436 143 L N 0.561 121.768 121.223 -0.027 0.000 2.017 143 L HA -0.089 4.248 4.340 -0.005 0.000 0.208 143 L C 2.697 179.537 176.870 -0.051 0.000 1.073 143 L CA 0.911 55.719 54.840 -0.054 0.000 0.745 143 L CB -0.657 41.348 42.059 -0.089 0.000 0.894 143 L HN 0.134 nan 8.230 nan 0.000 0.432 144 V N -0.485 119.405 119.914 -0.040 0.000 2.287 144 V HA -0.284 3.833 4.120 -0.005 0.000 0.248 144 V C 2.464 178.552 176.094 -0.010 0.000 1.053 144 V CA 1.815 64.096 62.300 -0.032 0.000 1.027 144 V CB -0.432 31.376 31.823 -0.024 0.000 0.646 144 V HN 0.372 nan 8.190 nan 0.000 0.447 145 E N -0.195 120.007 120.200 0.003 0.000 2.106 145 E HA -0.172 4.175 4.350 -0.005 0.000 0.192 145 E C 2.367 178.990 176.600 0.038 0.000 0.984 145 E CA 1.041 57.453 56.400 0.020 0.000 0.806 145 E CB -0.299 29.414 29.700 0.022 0.000 0.750 145 E HN 0.428 nan 8.360 nan 0.000 0.458 146 R N -0.259 120.269 120.500 0.046 0.000 2.090 146 R HA -0.020 4.317 4.340 -0.005 0.000 0.228 146 R C 2.084 178.447 176.300 0.105 0.000 1.110 146 R CA 1.101 57.257 56.100 0.094 0.000 0.973 146 R CB -0.174 30.203 30.300 0.129 0.000 0.869 146 R HN 0.186 nan 8.270 nan 0.000 0.440 147 A N 1.003 123.845 122.820 0.036 0.000 1.908 147 A HA -0.174 4.143 4.320 -0.005 0.000 0.218 147 A C 2.352 179.966 177.584 0.051 0.000 1.181 147 A CA 1.880 53.923 52.037 0.009 0.000 0.627 147 A CB -0.784 18.182 19.000 -0.057 0.000 0.818 147 A HN 0.535 nan 8.150 nan 0.000 0.445 148 A N -0.105 122.740 122.820 0.041 0.000 1.877 148 A HA -0.076 4.242 4.320 -0.005 0.000 0.216 148 A C 2.130 179.751 177.584 0.062 0.000 1.186 148 A CA 1.531 53.594 52.037 0.043 0.000 0.620 148 A CB -0.620 18.399 19.000 0.030 0.000 0.822 148 A HN 0.515 nan 8.150 nan 0.000 0.443 149 I N -0.563 120.051 120.570 0.073 0.000 2.226 149 I HA -0.210 3.957 4.170 -0.005 0.000 0.245 149 I C 1.381 177.558 176.117 0.099 0.000 1.100 149 I CA 1.404 62.751 61.300 0.079 0.000 1.374 149 I CB -0.317 37.731 38.000 0.081 0.000 1.057 149 I HN 0.349 nan 8.210 nan 0.000 0.413 150 E N 0.606 120.897 120.200 0.153 0.000 2.411 150 E HA 0.141 4.488 4.350 -0.005 0.000 0.204 150 E C 1.515 178.240 176.600 0.208 0.000 1.059 150 E CA -0.200 56.316 56.400 0.194 0.000 1.112 150 E CB 0.281 30.170 29.700 0.316 0.000 1.168 150 E HN 0.439 nan 8.360 nan 0.000 0.445 151 I N 0.896 121.546 120.570 0.134 0.000 2.700 151 I HA -0.223 3.944 4.170 -0.005 0.000 0.261 151 I C 0.786 176.963 176.117 0.099 0.000 1.219 151 I CA 1.188 62.554 61.300 0.109 0.000 1.463 151 I CB 0.345 38.387 38.000 0.070 0.000 1.092 151 I HN 0.107 nan 8.210 nan 0.000 0.452 152 D N 0.579 121.031 120.400 0.087 0.000 2.339 152 D HA 0.083 4.720 4.640 -0.005 0.000 0.217 152 D C 0.576 176.910 176.300 0.057 0.000 1.050 152 D CA 0.076 54.114 54.000 0.063 0.000 0.856 152 D CB 0.310 41.136 40.800 0.042 0.000 0.922 152 D HN 0.233 nan 8.370 nan 0.000 0.518 153 I N 1.464 122.082 120.570 0.080 0.000 2.529 153 I HA 0.136 4.303 4.170 -0.005 0.000 0.284 153 I C -0.517 175.636 176.117 0.061 0.000 1.082 153 I CA -0.404 60.920 61.300 0.039 0.000 1.406 153 I CB 0.322 38.315 38.000 -0.012 0.000 1.405 153 I HN -0.178 nan 8.210 nan 0.000 0.548 154 I N 8.730 129.300 120.570 0.000 0.000 2.436 154 I HA 0.407 4.574 4.170 -0.005 0.000 0.289 154 I C -0.065 176.003 176.117 -0.081 0.000 1.010 154 I CA -0.613 60.683 61.300 -0.006 0.000 1.098 154 I CB 1.422 39.421 38.000 -0.002 0.000 1.266 154 I HN 0.667 nan 8.210 nan 0.000 0.434 155 M N 6.007 125.548 119.600 -0.098 0.000 2.755 155 M HA 0.762 5.239 4.480 -0.005 0.000 0.298 155 M C -2.969 173.223 176.300 -0.181 0.000 1.251 155 M CA -2.122 53.034 55.300 -0.240 0.000 0.817 155 M CB 2.054 34.418 32.600 -0.393 0.000 1.760 155 M HN -0.003 nan 8.290 nan 0.000 0.473 156 P HA 0.355 nan 4.420 nan 0.000 0.279 156 P C -0.604 176.601 177.300 -0.158 0.000 1.239 156 P CA -0.043 62.931 63.100 -0.210 0.000 0.789 156 P CB 0.898 32.439 31.700 -0.265 0.000 0.933 157 G N 1.623 110.328 108.800 -0.159 0.000 2.389 157 G HA2 0.551 4.508 3.960 -0.005 0.000 0.328 157 G HA3 0.551 4.508 3.960 -0.005 0.000 0.328 157 G C -1.566 173.284 174.900 -0.083 0.000 1.133 157 G CA -0.178 44.920 45.100 -0.003 0.000 0.891 157 G HN 0.303 nan 8.290 nan 0.000 0.485 158 Y N -0.313 120.062 120.300 0.124 0.000 2.587 158 Y HA 0.718 5.266 4.550 -0.005 0.000 0.337 158 Y C 0.630 176.588 175.900 0.098 0.000 1.065 158 Y CA -0.792 57.393 58.100 0.141 0.000 1.126 158 Y CB 2.796 41.382 38.460 0.211 0.000 1.279 158 Y HN 0.669 nan 8.280 nan 0.000 0.489 159 T N -1.671 113.051 114.554 0.279 0.000 3.071 159 T HA 0.308 4.655 4.350 -0.005 0.000 0.311 159 T C -0.950 173.894 174.700 0.240 0.000 1.042 159 T CA -0.833 61.352 62.100 0.143 0.000 1.028 159 T CB 0.761 69.711 68.868 0.137 0.000 1.068 159 T HN 0.906 nan 8.240 nan 0.000 0.451 160 H N 2.294 121.442 119.070 0.129 0.000 2.899 160 H HA -0.136 4.417 4.556 -0.005 0.000 0.282 160 H C 0.826 176.245 175.328 0.151 0.000 1.198 160 H CA 0.721 56.835 56.048 0.111 0.000 1.140 160 H CB -1.233 28.585 29.762 0.093 0.000 1.317 160 H HN 0.881 nan 8.280 nan 0.000 0.375 161 L N -1.221 120.162 121.223 0.267 0.000 3.678 161 L HA -0.289 4.048 4.340 -0.005 0.000 0.425 161 L C -0.166 176.996 176.870 0.487 0.000 1.240 161 L CA 1.219 56.234 54.840 0.291 0.000 0.876 161 L CB -0.454 41.698 42.059 0.155 0.000 1.766 161 L HN 0.374 nan 8.230 nan 0.000 0.917 162 Q N 0.218 120.351 119.800 0.555 0.000 2.331 162 Q HA 0.377 4.714 4.340 -0.005 0.000 0.272 162 Q C -0.313 175.805 176.000 0.197 0.000 1.062 162 Q CA -0.745 55.293 55.803 0.391 0.000 0.806 162 Q CB 2.250 31.123 28.738 0.225 0.000 1.312 162 Q HN 0.142 nan 8.270 nan 0.000 0.431 163 K N 1.022 121.380 120.400 -0.070 0.000 2.436 163 K HA 0.183 4.500 4.320 -0.005 0.000 0.282 163 K C 0.389 176.895 176.600 -0.156 0.000 1.044 163 K CA 0.291 56.345 56.287 -0.389 0.000 1.028 163 K CB 0.639 32.955 32.500 -0.307 0.000 0.919 163 K HN 0.686 nan 8.250 nan 0.000 0.474 164 A N 3.998 126.726 122.820 -0.154 0.000 1.993 164 A HA 0.194 4.511 4.320 -0.005 0.000 0.202 164 A C -0.148 177.413 177.584 -0.039 0.000 1.461 164 A CA 0.457 52.469 52.037 -0.042 0.000 0.824 164 A CB 0.154 19.160 19.000 0.010 0.000 1.024 164 A HN 0.539 nan 8.150 nan 0.000 0.507 165 L N -4.123 117.060 121.223 -0.067 0.000 2.710 165 L HA 0.593 4.930 4.340 -0.005 0.000 0.260 165 L C -3.262 173.573 176.870 -0.058 0.000 0.993 165 L CA -2.265 52.554 54.840 -0.035 0.000 0.877 165 L CB 0.678 42.740 42.059 0.005 0.000 1.461 165 L HN -0.096 nan 8.230 nan 0.000 0.413 166 P HA 0.431 nan 4.420 nan 0.000 0.269 166 P C -0.865 176.416 177.300 -0.032 0.000 1.215 166 P CA 0.143 63.224 63.100 -0.031 0.000 0.780 166 P CB 1.864 33.566 31.700 0.004 0.000 0.898 167 I N 0.416 120.969 120.570 -0.028 0.000 3.066 167 I HA 0.309 4.476 4.170 -0.005 0.000 0.307 167 I C -0.571 175.563 176.117 0.028 0.000 1.366 167 I CA -1.382 59.908 61.300 -0.017 0.000 0.972 167 I CB 2.550 40.537 38.000 -0.022 0.000 1.307 167 I HN 0.190 nan 8.210 nan 0.000 0.470 168 R N 4.065 124.597 120.500 0.053 0.000 2.308 168 R HA 0.100 4.437 4.340 -0.005 0.000 0.305 168 R C 0.755 177.160 176.300 0.176 0.000 1.053 168 R CA -0.333 55.829 56.100 0.104 0.000 0.957 168 R CB 0.903 31.256 30.300 0.088 0.000 1.022 168 R HN 0.752 nan 8.270 nan 0.000 0.461 169 W N 3.859 125.170 121.300 0.018 0.000 2.325 169 W HA -0.256 4.402 4.660 -0.005 0.000 0.299 169 W C 0.517 177.138 176.519 0.170 0.000 1.215 169 W CA 1.817 59.206 57.345 0.073 0.000 1.244 169 W CB -0.101 29.367 29.460 0.013 0.000 1.140 169 W HN 0.487 nan 8.180 nan 0.000 0.523 170 S N 0.845 116.562 115.700 0.028 0.000 2.399 170 S HA -0.311 4.156 4.470 -0.005 0.000 0.231 170 S C 1.591 176.120 174.600 -0.118 0.000 1.022 170 S CA 1.947 60.072 58.200 -0.126 0.000 0.983 170 S CB -0.563 62.648 63.200 0.019 0.000 0.803 170 S HN 0.370 nan 8.310 nan 0.000 0.480 171 Q N 0.695 120.480 119.800 -0.023 0.000 2.170 171 Q HA -0.095 4.242 4.340 -0.005 0.000 0.203 171 Q C 1.702 177.679 176.000 -0.038 0.000 0.976 171 Q CA 1.400 57.188 55.803 -0.024 0.000 0.858 171 Q CB -0.487 28.257 28.738 0.009 0.000 0.907 171 Q HN 0.545 nan 8.270 nan 0.000 0.433 172 F N -0.101 119.754 119.950 -0.159 0.000 2.084 172 F HA -0.096 4.428 4.527 -0.005 0.000 0.296 172 F C 1.497 177.169 175.800 -0.212 0.000 1.111 172 F CA 1.387 59.295 58.000 -0.153 0.000 1.224 172 F CB -0.343 38.605 39.000 -0.086 0.000 0.991 172 F HN 0.108 nan 8.300 nan 0.000 0.471 173 L N -0.012 120.895 121.223 -0.526 0.000 2.042 173 L HA -0.249 4.088 4.340 -0.005 0.000 0.210 173 L C 2.514 179.175 176.870 -0.348 0.000 1.076 173 L CA 1.308 55.823 54.840 -0.541 0.000 0.749 173 L CB -0.891 40.868 42.059 -0.500 0.000 0.893 173 L HN 0.234 nan 8.230 nan 0.000 0.432 174 L N -0.358 120.708 121.223 -0.262 0.000 2.191 174 L HA -0.171 4.166 4.340 -0.005 0.000 0.212 174 L C 2.875 179.617 176.870 -0.214 0.000 1.103 174 L CA 1.234 55.962 54.840 -0.187 0.000 0.769 174 L CB -0.582 41.401 42.059 -0.128 0.000 0.908 174 L HN 0.415 nan 8.230 nan 0.000 0.438 175 S N -1.393 114.130 115.700 -0.294 0.000 2.368 175 S HA -0.222 4.245 4.470 -0.005 0.000 0.225 175 S C 1.968 176.318 174.600 -0.416 0.000 1.030 175 S CA 0.918 58.911 58.200 -0.344 0.000 0.999 175 S CB -0.562 62.395 63.200 -0.406 0.000 0.844 175 S HN 0.450 nan 8.310 nan 0.000 0.459 176 H N 1.654 120.489 119.070 -0.392 0.000 2.423 176 H HA 0.213 4.766 4.556 -0.005 0.000 0.297 176 H C 2.632 177.801 175.328 -0.265 0.000 1.075 176 H CA 1.242 57.076 56.048 -0.357 0.000 1.342 176 H CB -0.664 28.852 29.762 -0.409 0.000 1.395 176 H HN 0.611 nan 8.280 nan 0.000 0.530 177 A N 1.040 123.785 122.820 -0.126 0.000 1.902 177 A HA -0.132 4.185 4.320 -0.005 0.000 0.217 177 A C 2.727 180.252 177.584 -0.099 0.000 1.181 177 A CA 1.973 53.949 52.037 -0.101 0.000 0.623 177 A CB -0.879 18.061 19.000 -0.101 0.000 0.818 177 A HN 0.327 nan 8.150 nan 0.000 0.443 178 V N -2.709 117.129 119.914 -0.126 0.000 2.548 178 V HA 0.071 4.188 4.120 -0.005 0.000 0.249 178 V C 2.461 178.484 176.094 -0.118 0.000 1.055 178 V CA 1.613 63.850 62.300 -0.105 0.000 1.065 178 V CB -1.263 30.497 31.823 -0.105 0.000 0.681 178 V HN 0.484 nan 8.190 nan 0.000 0.462 179 A N 0.836 123.535 122.820 -0.201 0.000 1.902 179 A HA -0.021 4.297 4.320 -0.005 0.000 0.217 179 A C 2.245 179.743 177.584 -0.144 0.000 1.181 179 A CA 2.136 53.989 52.037 -0.307 0.000 0.623 179 A CB -0.710 17.888 19.000 -0.670 0.000 0.818 179 A HN 0.580 nan 8.150 nan 0.000 0.443 180 L N 0.026 121.198 121.223 -0.085 0.000 2.201 180 L HA -0.141 4.196 4.340 -0.005 0.000 0.212 180 L C 2.958 179.844 176.870 0.028 0.000 1.105 180 L CA 1.662 56.519 54.840 0.029 0.000 0.775 180 L CB -0.712 41.352 42.059 0.008 0.000 0.913 180 L HN 0.689 nan 8.230 nan 0.000 0.440 181 T N -3.055 111.496 114.554 -0.006 0.000 2.904 181 T HA -0.158 4.189 4.350 -0.005 0.000 0.267 181 T C 1.982 176.690 174.700 0.014 0.000 1.059 181 T CA 0.588 62.687 62.100 -0.001 0.000 1.137 181 T CB -0.205 68.653 68.868 -0.017 0.000 0.879 181 T HN 0.257 nan 8.240 nan 0.000 0.467 182 R N 1.137 121.650 120.500 0.021 0.000 2.115 182 R HA -0.041 4.296 4.340 -0.005 0.000 0.230 182 R C 2.149 178.483 176.300 0.058 0.000 1.111 182 R CA 1.556 57.679 56.100 0.039 0.000 0.976 182 R CB -0.297 30.034 30.300 0.051 0.000 0.870 182 R HN 0.511 nan 8.270 nan 0.000 0.445 183 D N -0.121 120.330 120.400 0.086 0.000 2.117 183 D HA -0.124 4.513 4.640 -0.005 0.000 0.198 183 D C 1.822 178.147 176.300 0.041 0.000 0.982 183 D CA 1.135 55.177 54.000 0.070 0.000 0.828 183 D CB -0.244 40.614 40.800 0.096 0.000 0.967 183 D HN 0.043 nan 8.370 nan 0.000 0.464 184 S N 0.518 116.240 115.700 0.037 0.000 2.359 184 S HA -0.231 4.236 4.470 -0.005 0.000 0.224 184 S C 1.880 176.492 174.600 0.019 0.000 1.035 184 S CA 1.686 59.900 58.200 0.024 0.000 1.018 184 S CB -0.085 63.126 63.200 0.017 0.000 0.876 184 S HN 0.281 nan 8.310 nan 0.000 0.448 185 E N 0.203 120.415 120.200 0.018 0.000 2.077 185 E HA -0.151 4.196 4.350 -0.005 0.000 0.193 185 E C 2.397 179.007 176.600 0.017 0.000 0.989 185 E CA 0.895 57.304 56.400 0.015 0.000 0.800 185 E CB -0.101 29.606 29.700 0.013 0.000 0.746 185 E HN 0.472 nan 8.360 nan 0.000 0.452 186 R N 0.088 120.601 120.500 0.020 0.000 2.092 186 R HA -0.066 4.271 4.340 -0.005 0.000 0.231 186 R C 2.578 178.890 176.300 0.020 0.000 1.119 186 R CA 0.953 57.065 56.100 0.019 0.000 0.970 186 R CB -0.238 30.073 30.300 0.018 0.000 0.864 186 R HN 0.295 nan 8.270 nan 0.000 0.440 187 L N -0.319 120.916 121.223 0.020 0.000 2.083 187 L HA -0.117 4.220 4.340 -0.005 0.000 0.209 187 L C 2.363 179.245 176.870 0.020 0.000 1.083 187 L CA 1.325 56.178 54.840 0.022 0.000 0.752 187 L CB -0.550 41.522 42.059 0.022 0.000 0.899 187 L HN 0.371 nan 8.230 nan 0.000 0.433 188 G N -0.750 108.059 108.800 0.016 0.000 2.402 188 G HA2 -0.239 3.718 3.960 -0.005 0.000 0.216 188 G HA3 -0.239 3.718 3.960 -0.005 0.000 0.216 188 G C 1.363 176.272 174.900 0.014 0.000 1.162 188 G CA 0.496 45.604 45.100 0.012 0.000 0.777 188 G HN 0.400 nan 8.290 nan 0.000 0.539 189 E N -0.098 120.112 120.200 0.016 0.000 2.106 189 E HA -0.062 4.286 4.350 -0.005 0.000 0.192 189 E C 2.713 179.327 176.600 0.023 0.000 0.984 189 E CA 0.792 57.202 56.400 0.017 0.000 0.806 189 E CB -0.055 29.655 29.700 0.017 0.000 0.750 189 E HN 0.298 nan 8.360 nan 0.000 0.458 190 V N 1.636 121.567 119.914 0.029 0.000 2.343 190 V HA -0.280 3.837 4.120 -0.005 0.000 0.247 190 V C 2.357 178.476 176.094 0.041 0.000 1.051 190 V CA 1.825 64.150 62.300 0.042 0.000 1.036 190 V CB -0.455 31.396 31.823 0.046 0.000 0.654 190 V HN 0.209 nan 8.190 nan 0.000 0.451 191 K N 0.348 120.765 120.400 0.029 0.000 2.113 191 K HA -0.259 4.058 4.320 -0.005 0.000 0.208 191 K C 2.196 178.801 176.600 0.009 0.000 1.047 191 K CA 1.731 58.029 56.287 0.019 0.000 0.928 191 K CB -0.141 32.366 32.500 0.012 0.000 0.716 191 K HN 0.428 nan 8.250 nan 0.000 0.446 192 K N -0.062 120.344 120.400 0.010 0.000 2.147 192 K HA -0.141 4.176 4.320 -0.005 0.000 0.205 192 K C 2.193 178.795 176.600 0.003 0.000 1.049 192 K CA 1.392 57.682 56.287 0.005 0.000 0.936 192 K CB -0.034 32.471 32.500 0.007 0.000 0.722 192 K HN 0.173 nan 8.250 nan 0.000 0.446 193 R N 0.114 120.623 120.500 0.016 0.000 2.210 193 R HA 0.107 4.444 4.340 -0.005 0.000 0.203 193 R C 2.105 178.402 176.300 -0.005 0.000 1.010 193 R CA 0.249 56.361 56.100 0.020 0.000 1.008 193 R CB 0.098 30.428 30.300 0.052 0.000 0.923 193 R HN 0.097 nan 8.270 nan 0.000 0.469 194 I N 1.166 121.732 120.570 -0.008 0.000 2.252 194 I HA -0.172 3.995 4.170 -0.005 0.000 0.245 194 I C 1.907 177.946 176.117 -0.131 0.000 1.102 194 I CA 1.602 62.856 61.300 -0.076 0.000 1.385 194 I CB -1.131 36.858 38.000 -0.018 0.000 1.064 194 I HN 0.182 nan 8.210 nan 0.000 0.414 195 T N -0.639 113.872 114.554 -0.072 0.000 3.509 195 T HA 0.167 4.514 4.350 -0.005 0.000 0.250 195 T C 0.329 174.989 174.700 -0.068 0.000 1.076 195 T CA -0.083 61.976 62.100 -0.069 0.000 0.966 195 T CB -1.127 67.717 68.868 -0.040 0.000 1.046 195 T HN -0.054 nan 8.240 nan 0.000 0.591 196 V N 2.460 122.321 119.914 -0.088 0.000 2.333 196 V HA 0.378 4.495 4.120 -0.005 0.000 0.274 196 V C 0.154 176.194 176.094 -0.090 0.000 1.028 196 V CA -1.186 61.073 62.300 -0.068 0.000 0.851 196 V CB 0.851 32.645 31.823 -0.049 0.000 1.000 196 V HN 0.466 nan 8.190 nan 0.000 0.456 197 L N 10.098 131.282 121.223 -0.064 0.000 2.433 197 L HA 0.365 4.702 4.340 -0.005 0.000 0.275 197 L C -1.223 175.618 176.870 -0.048 0.000 1.128 197 L CA -0.759 54.044 54.840 -0.062 0.000 0.875 197 L CB 0.915 42.952 42.059 -0.037 0.000 1.171 197 L HN 0.376 nan 8.230 nan 0.000 0.463 198 P HA -0.015 nan 4.420 nan 0.000 0.252 198 P C 0.528 177.811 177.300 -0.029 0.000 1.218 198 P CA -0.015 63.063 63.100 -0.037 0.000 0.807 198 P CB 0.370 32.045 31.700 -0.041 0.000 1.072 199 L N 0.959 122.161 121.223 -0.034 0.000 2.559 199 L HA 0.184 4.521 4.340 -0.005 0.000 0.274 199 L C 1.064 177.941 176.870 0.010 0.000 1.205 199 L CA 1.462 56.284 54.840 -0.030 0.000 0.907 199 L CB -0.515 41.533 42.059 -0.019 0.000 1.153 199 L HN 0.334 nan 8.230 nan 0.000 0.490 200 G N 2.145 110.952 108.800 0.012 0.000 2.148 200 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.157 200 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.157 200 G C 0.530 175.446 174.900 0.027 0.000 1.012 200 G CA 0.116 45.251 45.100 0.058 0.000 0.677 200 G HN 0.631 nan 8.290 nan 0.000 0.506 201 S N 0.080 115.780 115.700 -0.001 0.000 2.540 201 S HA 0.491 4.958 4.470 -0.005 0.000 0.218 201 S C 1.862 176.454 174.600 -0.013 0.000 0.977 201 S CA 1.086 59.284 58.200 -0.003 0.000 0.918 201 S CB 0.494 63.690 63.200 -0.006 0.000 0.806 201 S HN 2.164 nan 8.310 nan 0.000 0.496 202 G N 1.676 110.462 108.800 -0.024 0.000 2.574 202 G HA2 -0.323 3.634 3.960 -0.005 0.000 0.282 202 G HA3 -0.323 3.634 3.960 -0.005 0.000 0.282 202 G C 0.721 175.583 174.900 -0.062 0.000 1.257 202 G CA 0.086 45.165 45.100 -0.035 0.000 0.956 202 G HN 0.335 nan 8.290 nan 0.000 0.560 203 V N -0.535 119.346 119.914 -0.055 0.000 2.591 203 V HA 0.234 4.351 4.120 -0.005 0.000 0.249 203 V C 2.010 178.077 176.094 -0.045 0.000 1.053 203 V CA 2.790 65.047 62.300 -0.072 0.000 1.068 203 V CB 0.243 32.034 31.823 -0.052 0.000 0.689 203 V HN 1.149 nan 8.190 nan 0.000 0.462 204 L N -2.017 119.196 121.223 -0.017 0.000 1.835 204 L HA 0.402 4.739 4.340 -0.005 0.000 0.207 204 L C 1.593 178.468 176.870 0.010 0.000 1.220 204 L CA 1.224 56.068 54.840 0.006 0.000 1.307 204 L CB -0.627 41.442 42.059 0.017 0.000 2.618 204 L HN -0.035 nan 8.230 nan 0.000 0.514 205 A N 0.396 123.220 122.820 0.006 0.000 2.251 205 A HA 0.681 4.998 4.320 -0.005 0.000 0.209 205 A C 1.180 178.769 177.584 0.009 0.000 1.187 205 A CA 0.907 52.950 52.037 0.009 0.000 0.823 205 A CB -0.950 18.055 19.000 0.008 0.000 0.846 205 A HN 1.256 nan 8.150 nan 0.000 0.486 206 G N -0.483 108.321 108.800 0.007 0.000 2.498 206 G HA2 -0.118 3.839 3.960 -0.005 0.000 0.651 206 G HA3 -0.118 3.839 3.960 -0.005 0.000 0.651 206 G C -0.607 174.302 174.900 0.015 0.000 1.284 206 G CA -0.302 44.804 45.100 0.010 0.000 0.950 206 G HN 0.493 nan 8.290 nan 0.000 0.511 207 N N 1.255 119.970 118.700 0.026 0.000 2.497 207 N HA 0.374 5.111 4.740 -0.005 0.000 0.271 207 N C -0.807 174.721 175.510 0.029 0.000 1.142 207 N CA -0.830 52.245 53.050 0.041 0.000 0.965 207 N CB 1.530 40.057 38.487 0.068 0.000 1.077 207 N HN 0.393 nan 8.380 nan 0.000 0.462 208 P HA 0.157 nan 4.420 nan 0.000 0.261 208 P C 0.252 177.561 177.300 0.014 0.000 1.268 208 P CA 0.367 63.478 63.100 0.018 0.000 0.833 208 P CB 0.420 32.130 31.700 0.016 0.000 1.231 209 L N 0.028 121.261 121.223 0.017 0.000 3.141 209 L HA 0.282 4.619 4.340 -0.005 0.000 0.267 209 L C 0.063 176.929 176.870 -0.007 0.000 1.281 209 L CA -0.291 54.551 54.840 0.003 0.000 1.037 209 L CB -0.482 41.577 42.059 -0.000 0.000 1.407 209 L HN -0.148 nan 8.230 nan 0.000 0.566 210 E N 0.621 120.820 120.200 -0.001 0.000 2.238 210 E HA -0.255 4.092 4.350 -0.005 0.000 0.219 210 E C 0.280 176.871 176.600 -0.015 0.000 1.275 210 E CA 0.265 56.662 56.400 -0.005 0.000 0.714 210 E CB -0.967 28.727 29.700 -0.009 0.000 1.154 210 E HN 0.327 nan 8.360 nan 0.000 0.363 211 I N 1.175 121.739 120.570 -0.011 0.000 2.836 211 I HA -0.039 4.128 4.170 -0.005 0.000 0.285 211 I C 0.620 176.726 176.117 -0.018 0.000 1.174 211 I CA 0.239 61.520 61.300 -0.031 0.000 1.405 211 I CB 0.671 38.664 38.000 -0.013 0.000 1.385 211 I HN 0.003 nan 8.210 nan 0.000 0.594 212 D N 5.807 126.188 120.400 -0.032 0.000 2.494 212 D HA 0.181 4.819 4.640 -0.005 0.000 0.217 212 D C 1.009 177.306 176.300 -0.005 0.000 1.153 212 D CA -0.042 53.947 54.000 -0.018 0.000 0.954 212 D CB 0.307 41.092 40.800 -0.026 0.000 1.034 212 D HN 0.445 nan 8.370 nan 0.000 0.518 213 R N 1.687 122.192 120.500 0.008 0.000 2.152 213 R HA -0.102 4.235 4.340 -0.005 0.000 0.232 213 R C 1.419 177.725 176.300 0.009 0.000 1.117 213 R CA 0.617 56.728 56.100 0.018 0.000 0.981 213 R CB 0.220 30.532 30.300 0.020 0.000 0.870 213 R HN 0.391 nan 8.270 nan 0.000 0.451 214 E N 1.009 121.210 120.200 0.002 0.000 2.110 214 E HA -0.161 4.186 4.350 -0.005 0.000 0.193 214 E C 1.901 178.500 176.600 -0.002 0.000 0.988 214 E CA 0.801 57.200 56.400 -0.001 0.000 0.804 214 E CB -0.072 29.625 29.700 -0.004 0.000 0.745 214 E HN 0.145 nan 8.360 nan 0.000 0.458 215 L N 0.773 121.993 121.223 -0.005 0.000 2.017 215 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 215 L C 2.275 179.146 176.870 0.001 0.000 1.073 215 L CA 1.446 56.282 54.840 -0.007 0.000 0.745 215 L CB -0.723 41.326 42.059 -0.016 0.000 0.894 215 L HN 0.081 nan 8.230 nan 0.000 0.432 216 L N -0.563 120.666 121.223 0.010 0.000 1.990 216 L HA -0.278 4.059 4.340 -0.005 0.000 0.213 216 L C 2.821 179.699 176.870 0.012 0.000 1.072 216 L CA 1.940 56.795 54.840 0.025 0.000 0.755 216 L CB -0.827 41.262 42.059 0.050 0.000 0.889 216 L HN 0.332 nan 8.230 nan 0.000 0.432 217 R N 0.060 120.564 120.500 0.006 0.000 2.113 217 R HA -0.199 4.138 4.340 -0.005 0.000 0.244 217 R C 2.398 178.695 176.300 -0.004 0.000 1.142 217 R CA 2.186 58.285 56.100 -0.003 0.000 0.953 217 R CB -0.202 30.095 30.300 -0.005 0.000 0.860 217 R HN 0.319 nan 8.270 nan 0.000 0.438 218 S N 0.721 116.419 115.700 -0.003 0.000 2.348 218 S HA -0.094 4.373 4.470 -0.005 0.000 0.221 218 S C 1.592 176.190 174.600 -0.003 0.000 1.033 218 S CA 1.129 59.327 58.200 -0.004 0.000 1.010 218 S CB -0.179 63.018 63.200 -0.005 0.000 0.891 218 S HN 0.383 nan 8.310 nan 0.000 0.442 219 E N 0.919 121.119 120.200 -0.000 0.000 2.265 219 E HA -0.012 4.335 4.350 -0.005 0.000 0.196 219 E C 1.339 177.940 176.600 0.002 0.000 0.996 219 E CA 0.669 57.070 56.400 0.002 0.000 0.832 219 E CB -0.145 29.559 29.700 0.006 0.000 0.756 219 E HN 0.485 nan 8.360 nan 0.000 0.491 220 L N 0.076 121.299 121.223 -0.000 0.000 2.728 220 L HA 0.103 4.440 4.340 -0.005 0.000 0.238 220 L C -0.406 176.458 176.870 -0.010 0.000 1.143 220 L CA -0.226 54.611 54.840 -0.004 0.000 0.937 220 L CB 0.156 42.212 42.059 -0.006 0.000 1.225 220 L HN -0.118 nan 8.230 nan 0.000 0.507 221 D N 0.629 121.023 120.400 -0.009 0.000 2.708 221 D HA -0.169 4.468 4.640 -0.005 0.000 0.236 221 D C 0.121 176.411 176.300 -0.016 0.000 1.146 221 D CA 0.928 54.921 54.000 -0.011 0.000 0.662 221 D CB -0.325 40.469 40.800 -0.010 0.000 1.059 221 D HN 0.071 nan 8.370 nan 0.000 0.428 222 M N -0.707 118.882 119.600 -0.018 0.000 2.409 222 M HA 0.277 4.754 4.480 -0.005 0.000 0.329 222 M C 2.083 178.372 176.300 -0.020 0.000 1.180 222 M CA -0.147 55.138 55.300 -0.025 0.000 1.053 222 M CB 1.145 33.727 32.600 -0.031 0.000 1.586 222 M HN 0.101 nan 8.290 nan 0.000 0.461 223 T N -2.457 112.085 114.554 -0.021 0.000 3.043 223 T HA 0.108 4.455 4.350 -0.005 0.000 0.263 223 T C 0.699 175.390 174.700 -0.014 0.000 1.094 223 T CA 0.753 62.843 62.100 -0.015 0.000 1.127 223 T CB -0.042 68.817 68.868 -0.014 0.000 0.905 223 T HN 0.757 nan 8.240 nan 0.000 0.490 224 S N 0.612 116.302 115.700 -0.017 0.000 2.671 224 S HA 0.614 5.081 4.470 -0.005 0.000 0.270 224 S C -1.428 173.162 174.600 -0.017 0.000 1.166 224 S CA -1.081 57.111 58.200 -0.014 0.000 0.868 224 S CB 0.844 64.037 63.200 -0.010 0.000 1.190 224 S HN 0.811 nan 8.310 nan 0.000 0.494 225 I N -0.640 119.923 120.570 -0.012 0.000 2.689 225 I HA 0.729 4.896 4.170 -0.005 0.000 0.299 225 I C 0.045 176.157 176.117 -0.009 0.000 1.059 225 I CA -0.841 60.452 61.300 -0.012 0.000 1.055 225 I CB 2.080 40.077 38.000 -0.005 0.000 1.243 225 I HN 0.865 nan 8.210 nan 0.000 0.425 226 T N 2.053 116.601 114.554 -0.010 0.000 2.946 226 T HA 0.129 4.476 4.350 -0.005 0.000 0.312 226 T C 0.750 175.452 174.700 0.004 0.000 1.066 226 T CA -0.261 61.837 62.100 -0.002 0.000 1.138 226 T CB 0.893 69.761 68.868 -0.001 0.000 1.014 226 T HN 0.557 nan 8.240 nan 0.000 0.544 227 L N 1.146 122.374 121.223 0.008 0.000 2.249 227 L HA 0.311 4.649 4.340 -0.005 0.000 0.207 227 L C 1.376 178.253 176.870 0.011 0.000 1.090 227 L CA 0.977 55.822 54.840 0.009 0.000 0.802 227 L CB -0.568 41.497 42.059 0.009 0.000 0.947 227 L HN 0.803 nan 8.230 nan 0.000 0.453 228 N N -0.998 117.711 118.700 0.015 0.000 2.352 228 N HA 0.076 4.813 4.740 -0.005 0.000 0.291 228 N C 0.789 176.311 175.510 0.020 0.000 1.040 228 N CA 0.554 53.615 53.050 0.017 0.000 0.864 228 N CB 1.853 40.351 38.487 0.019 0.000 1.440 228 N HN 0.009 nan 8.380 nan 0.000 0.483 229 S N 3.798 119.508 115.700 0.018 0.000 2.368 229 S HA -0.093 4.375 4.470 -0.005 0.000 0.225 229 S C 1.993 176.609 174.600 0.027 0.000 1.030 229 S CA 0.645 58.856 58.200 0.018 0.000 0.999 229 S CB -0.330 62.878 63.200 0.014 0.000 0.844 229 S HN 0.649 nan 8.310 nan 0.000 0.459 230 I N 2.501 123.089 120.570 0.030 0.000 2.179 230 I HA -0.197 3.970 4.170 -0.005 0.000 0.242 230 I C 2.669 178.816 176.117 0.049 0.000 1.088 230 I CA 2.017 63.340 61.300 0.039 0.000 1.357 230 I CB -0.565 37.455 38.000 0.033 0.000 1.051 230 I HN 0.354 nan 8.210 nan 0.000 0.409 231 D N 1.035 121.461 120.400 0.043 0.000 2.097 231 D HA -0.175 4.462 4.640 -0.005 0.000 0.195 231 D C 2.164 178.503 176.300 0.065 0.000 0.989 231 D CA 1.501 55.531 54.000 0.050 0.000 0.827 231 D CB 0.020 40.845 40.800 0.041 0.000 0.966 231 D HN 0.270 nan 8.370 nan 0.000 0.456 232 A N -0.199 122.653 122.820 0.053 0.000 2.076 232 A HA -0.096 4.221 4.320 -0.005 0.000 0.220 232 A C 2.327 179.956 177.584 0.075 0.000 1.160 232 A CA 1.022 53.092 52.037 0.055 0.000 0.653 232 A CB -0.630 18.385 19.000 0.025 0.000 0.801 232 A HN 0.462 nan 8.150 nan 0.000 0.455 233 I N -0.594 120.023 120.570 0.078 0.000 2.867 233 I HA -0.090 4.077 4.170 -0.005 0.000 0.265 233 I C 2.258 178.479 176.117 0.173 0.000 1.162 233 I CA 1.176 62.539 61.300 0.105 0.000 1.471 233 I CB 0.208 38.249 38.000 0.069 0.000 1.123 233 I HN 0.447 nan 8.210 nan 0.000 0.440 234 S N -0.157 115.625 115.700 0.138 0.000 2.511 234 S HA 0.067 4.534 4.470 -0.005 0.000 0.214 234 S C 0.545 175.194 174.600 0.083 0.000 0.997 234 S CA -0.476 57.796 58.200 0.120 0.000 0.908 234 S CB -0.338 62.913 63.200 0.086 0.000 0.803 234 S HN 0.387 nan 8.310 nan 0.000 0.504 235 E N 1.251 121.512 120.200 0.102 0.000 2.313 235 E HA 0.517 4.864 4.350 -0.005 0.000 0.272 235 E C 0.050 176.708 176.600 0.095 0.000 1.038 235 E CA -0.833 55.618 56.400 0.085 0.000 0.863 235 E CB 0.597 30.357 29.700 0.100 0.000 1.060 235 E HN -0.077 nan 8.360 nan 0.000 0.402 236 R N 2.412 122.887 120.500 -0.042 0.000 2.661 236 R HA 0.149 4.486 4.340 -0.005 0.000 0.429 236 R C -0.581 175.512 176.300 -0.346 0.000 1.044 236 R CA -0.235 55.678 56.100 -0.311 0.000 1.065 236 R CB 0.060 30.183 30.300 -0.294 0.000 1.377 236 R HN 0.625 nan 8.270 nan 0.000 0.600 237 D N 0.549 120.886 120.400 -0.104 0.000 2.117 237 D HA -0.166 4.471 4.640 -0.005 0.000 0.197 237 D C 1.635 177.904 176.300 -0.051 0.000 0.987 237 D CA 1.307 55.282 54.000 -0.042 0.000 0.829 237 D CB -0.194 40.640 40.800 0.057 0.000 0.961 237 D HN 0.351 nan 8.370 nan 0.000 0.460 238 F N -0.213 119.739 119.950 0.003 0.000 2.250 238 F HA -0.115 4.409 4.527 -0.004 0.000 0.301 238 F C 1.954 177.755 175.800 0.002 0.000 1.077 238 F CA 0.521 58.523 58.000 0.003 0.000 1.348 238 F CB -0.927 38.076 39.000 0.005 0.000 1.040 238 F HN -0.160 nan 8.300 nan 0.000 0.509 239 V N 0.656 120.144 119.914 -0.709 0.000 2.283 239 V HA -0.197 3.920 4.120 -0.005 0.000 0.243 239 V C 2.617 178.589 176.094 -0.203 0.000 1.039 239 V CA 1.484 63.517 62.300 -0.445 0.000 1.016 239 V CB -0.364 31.120 31.823 -0.566 0.000 0.650 239 V HN 0.414 nan 8.190 nan 0.000 0.449 240 V N 0.084 119.880 119.914 -0.196 0.000 2.407 240 V HA -0.279 3.838 4.120 -0.005 0.000 0.248 240 V C 2.329 178.389 176.094 -0.057 0.000 1.055 240 V CA 2.811 65.045 62.300 -0.109 0.000 1.049 240 V CB -0.232 31.533 31.823 -0.097 0.000 0.662 240 V HN 0.750 nan 8.190 nan 0.000 0.455 241 E N -0.282 119.895 120.200 -0.039 0.000 2.047 241 E HA -0.230 4.117 4.350 -0.005 0.000 0.191 241 E C 2.247 178.853 176.600 0.010 0.000 0.987 241 E CA 1.830 58.231 56.400 0.000 0.000 0.799 241 E CB -0.317 29.401 29.700 0.031 0.000 0.752 241 E HN 0.712 nan 8.360 nan 0.000 0.449 242 L N 0.648 121.881 121.223 0.017 0.000 2.046 242 L HA -0.153 4.184 4.340 -0.005 0.000 0.208 242 L C 2.282 179.156 176.870 0.008 0.000 1.077 242 L CA 1.210 56.066 54.840 0.027 0.000 0.747 242 L CB -0.147 41.942 42.059 0.051 0.000 0.896 242 L HN 0.273 nan 8.230 nan 0.000 0.432 243 I N -0.972 119.591 120.570 -0.011 0.000 2.315 243 I HA -0.249 3.918 4.170 -0.005 0.000 0.248 243 I C 2.507 178.623 176.117 -0.001 0.000 1.117 243 I CA 0.947 62.239 61.300 -0.012 0.000 1.404 243 I CB -0.280 37.700 38.000 -0.034 0.000 1.071 243 I HN 0.209 nan 8.210 nan 0.000 0.419 244 S N 0.604 116.303 115.700 -0.003 0.000 2.348 244 S HA -0.142 4.325 4.470 -0.005 0.000 0.221 244 S C 2.147 176.744 174.600 -0.005 0.000 1.033 244 S CA 1.321 59.524 58.200 0.005 0.000 1.010 244 S CB -0.322 62.879 63.200 0.003 0.000 0.891 244 S HN 0.216 nan 8.310 nan 0.000 0.442 245 V N 2.161 122.072 119.914 -0.005 0.000 2.332 245 V HA -0.228 3.889 4.120 -0.005 0.000 0.248 245 V C 2.640 178.721 176.094 -0.021 0.000 1.055 245 V CA 1.752 64.044 62.300 -0.012 0.000 1.038 245 V CB -1.271 30.554 31.823 0.004 0.000 0.651 245 V HN 0.549 nan 8.190 nan 0.000 0.450 246 A N -0.451 122.365 122.820 -0.007 0.000 1.933 246 A HA -0.220 4.097 4.320 -0.005 0.000 0.218 246 A C 2.390 179.965 177.584 -0.016 0.000 1.175 246 A CA 2.459 54.493 52.037 -0.005 0.000 0.628 246 A CB -0.876 18.129 19.000 0.007 0.000 0.814 246 A HN 0.513 nan 8.150 nan 0.000 0.444 247 T N 0.027 114.576 114.554 -0.008 0.000 2.737 247 T HA -0.064 4.283 4.350 -0.005 0.000 0.265 247 T C 1.843 176.501 174.700 -0.070 0.000 1.038 247 T CA 1.226 63.327 62.100 0.002 0.000 1.144 247 T CB -0.325 68.581 68.868 0.064 0.000 0.866 247 T HN 0.354 nan 8.240 nan 0.000 0.434 248 L N 0.656 121.809 121.223 -0.116 0.000 2.046 248 L HA -0.023 4.314 4.340 -0.005 0.000 0.208 248 L C 2.414 179.025 176.870 -0.431 0.000 1.077 248 L CA 1.197 55.882 54.840 -0.258 0.000 0.747 248 L CB -0.352 41.567 42.059 -0.233 0.000 0.896 248 L HN 0.305 nan 8.230 nan 0.000 0.432 249 L N -0.857 120.217 121.223 -0.248 0.000 2.012 249 L HA -0.292 4.046 4.340 -0.005 0.000 0.210 249 L C 2.661 179.477 176.870 -0.090 0.000 1.073 249 L CA 1.343 56.091 54.840 -0.153 0.000 0.748 249 L CB -0.111 41.926 42.059 -0.037 0.000 0.891 249 L HN 0.295 nan 8.230 nan 0.000 0.431 250 M N -0.543 119.016 119.600 -0.068 0.000 2.159 250 M HA -0.209 4.269 4.480 -0.005 0.000 0.263 250 M C 2.290 178.570 176.300 -0.034 0.000 1.063 250 M CA 1.441 56.723 55.300 -0.030 0.000 1.110 250 M CB -1.036 31.556 32.600 -0.012 0.000 1.374 250 M HN 0.254 nan 8.290 nan 0.000 0.411 251 I N -0.494 120.025 120.570 -0.085 0.000 2.208 251 I HA -0.309 3.858 4.170 -0.005 0.000 0.245 251 I C 2.310 178.449 176.117 0.036 0.000 1.097 251 I CA 1.673 62.935 61.300 -0.064 0.000 1.363 251 I CB -1.530 36.399 38.000 -0.118 0.000 1.051 251 I HN 0.438 nan 8.210 nan 0.000 0.413 252 H N 0.205 119.268 119.070 -0.011 0.000 2.321 252 H HA -0.105 4.448 4.556 -0.004 0.000 0.300 252 H C 2.385 177.715 175.328 0.003 0.000 1.087 252 H CA 0.859 56.912 56.048 0.008 0.000 1.319 252 H CB 0.055 29.823 29.762 0.010 0.000 1.379 252 H HN 0.230 nan 8.280 nan 0.000 0.501 253 L N 0.491 121.776 121.223 0.104 0.000 2.141 253 L HA -0.149 4.188 4.340 -0.005 0.000 0.209 253 L C 2.749 179.614 176.870 -0.009 0.000 1.094 253 L CA 1.101 55.949 54.840 0.013 0.000 0.763 253 L CB -0.395 41.663 42.059 -0.003 0.000 0.908 253 L HN 0.363 nan 8.230 nan 0.000 0.437 254 S N -0.207 115.496 115.700 0.005 0.000 2.402 254 S HA -0.158 4.309 4.470 -0.005 0.000 0.229 254 S C 1.904 176.499 174.600 -0.009 0.000 1.021 254 S CA 0.720 58.913 58.200 -0.011 0.000 0.974 254 S CB -0.129 63.061 63.200 -0.017 0.000 0.800 254 S HN 0.393 nan 8.310 nan 0.000 0.484 255 K N 0.454 120.870 120.400 0.027 0.000 2.103 255 K HA 0.132 4.449 4.320 -0.005 0.000 0.204 255 K C 2.096 178.725 176.600 0.047 0.000 1.052 255 K CA 1.040 57.355 56.287 0.046 0.000 0.945 255 K CB -0.411 32.146 32.500 0.095 0.000 0.722 255 K HN 0.316 nan 8.250 nan 0.000 0.443 256 L N 1.292 122.510 121.223 -0.008 0.000 2.093 256 L HA -0.078 4.259 4.340 -0.005 0.000 0.208 256 L C 2.171 178.954 176.870 -0.146 0.000 1.085 256 L CA 1.633 56.328 54.840 -0.243 0.000 0.755 256 L CB -0.607 41.155 42.059 -0.495 0.000 0.904 256 L HN 0.102 nan 8.230 nan 0.000 0.435 257 A N -0.579 122.184 122.820 -0.096 0.000 1.902 257 A HA -0.244 4.073 4.320 -0.005 0.000 0.217 257 A C 2.254 179.786 177.584 -0.086 0.000 1.181 257 A CA 1.659 53.651 52.037 -0.076 0.000 0.623 257 A CB -0.746 18.222 19.000 -0.053 0.000 0.818 257 A HN 0.560 nan 8.150 nan 0.000 0.443 258 E N 0.645 120.794 120.200 -0.086 0.000 2.058 258 E HA -0.208 4.139 4.350 -0.005 0.000 0.194 258 E C 1.446 177.923 176.600 -0.206 0.000 0.997 258 E CA 1.817 58.147 56.400 -0.118 0.000 0.801 258 E CB -0.276 29.369 29.700 -0.093 0.000 0.746 258 E HN 0.557 nan 8.360 nan 0.000 0.450 259 D N -0.289 119.986 120.400 -0.207 0.000 2.104 259 D HA -0.156 4.481 4.640 -0.005 0.000 0.194 259 D C 1.837 177.804 176.300 -0.556 0.000 0.994 259 D CA 0.953 54.695 54.000 -0.431 0.000 0.830 259 D CB -0.196 40.542 40.800 -0.104 0.000 0.959 259 D HN 0.205 nan 8.370 nan 0.000 0.452 260 L N 0.788 121.890 121.223 -0.202 0.000 2.141 260 L HA -0.033 4.304 4.340 -0.005 0.000 0.209 260 L C 2.392 179.233 176.870 -0.048 0.000 1.094 260 L CA 0.801 55.620 54.840 -0.035 0.000 0.763 260 L CB -0.596 41.489 42.059 0.042 0.000 0.908 260 L HN 0.065 nan 8.230 nan 0.000 0.437 261 I N -1.184 119.320 120.570 -0.109 0.000 2.315 261 I HA -0.300 3.867 4.170 -0.005 0.000 0.248 261 I C 2.268 178.297 176.117 -0.146 0.000 1.117 261 I CA 1.183 62.428 61.300 -0.092 0.000 1.404 261 I CB -0.073 37.873 38.000 -0.091 0.000 1.071 261 I HN 0.172 nan 8.210 nan 0.000 0.419 262 I N -0.149 120.251 120.570 -0.282 0.000 2.353 262 I HA -0.263 3.904 4.170 -0.005 0.000 0.248 262 I C 2.217 178.077 176.117 -0.430 0.000 1.119 262 I CA 1.468 62.487 61.300 -0.469 0.000 1.417 262 I CB -0.274 37.318 38.000 -0.680 0.000 1.078 262 I HN 0.136 nan 8.210 nan 0.000 0.421 263 F N 0.607 120.346 119.950 -0.352 0.000 2.407 263 F HA -0.136 4.389 4.527 -0.004 0.000 0.299 263 F C 2.555 178.309 175.800 -0.077 0.000 1.097 263 F CA 0.629 58.529 58.000 -0.166 0.000 1.422 263 F CB -0.071 38.970 39.000 0.069 0.000 1.067 263 F HN 0.175 nan 8.300 nan 0.000 0.539 264 S N -0.750 115.019 115.700 0.115 0.000 2.605 264 S HA -0.001 4.466 4.470 -0.005 0.000 0.217 264 S C 0.738 175.357 174.600 0.032 0.000 0.958 264 S CA -0.135 58.110 58.200 0.074 0.000 0.919 264 S CB -1.181 62.061 63.200 0.069 0.000 0.780 264 S HN 0.216 nan 8.310 nan 0.000 0.507 265 T N -0.001 114.561 114.554 0.014 0.000 2.860 265 T HA 0.282 4.629 4.350 -0.005 0.000 0.299 265 T C 1.524 176.245 174.700 0.036 0.000 1.045 265 T CA 0.205 62.322 62.100 0.027 0.000 1.071 265 T CB 0.942 69.844 68.868 0.056 0.000 0.985 265 T HN 0.347 nan 8.240 nan 0.000 0.537 266 T N -1.308 113.262 114.554 0.026 0.000 2.951 266 T HA -0.037 4.310 4.350 -0.005 0.000 0.268 266 T C 1.492 176.188 174.700 -0.007 0.000 1.073 266 T CA 0.797 62.901 62.100 0.006 0.000 1.134 266 T CB -0.453 68.417 68.868 0.003 0.000 0.884 266 T HN 0.649 nan 8.240 nan 0.000 0.479 267 E N 0.818 121.033 120.200 0.026 0.000 2.077 267 E HA 0.042 4.389 4.350 -0.005 0.000 0.193 267 E C 1.514 178.041 176.600 -0.122 0.000 0.989 267 E CA 1.200 57.593 56.400 -0.012 0.000 0.800 267 E CB -0.462 29.272 29.700 0.056 0.000 0.746 267 E HN 0.594 nan 8.360 nan 0.000 0.452 268 F N -0.878 118.909 119.950 -0.271 0.000 2.188 268 F HA 0.215 4.739 4.527 -0.004 0.000 0.289 268 F C 1.920 177.278 175.800 -0.736 0.000 1.082 268 F CA 1.091 58.729 58.000 -0.605 0.000 1.282 268 F CB -0.435 38.193 39.000 -0.620 0.000 1.060 268 F HN 0.150 nan 8.300 nan 0.000 0.493 269 G N -0.248 108.432 108.800 -0.200 0.000 2.203 269 G HA2 -0.326 3.632 3.960 -0.005 0.000 0.263 269 G HA3 -0.326 3.632 3.960 -0.005 0.000 0.263 269 G C 0.751 175.641 174.900 -0.017 0.000 1.012 269 G CA 0.578 45.613 45.100 -0.108 0.000 0.749 269 G HN 0.254 nan 8.290 nan 0.000 0.512 270 F N -0.310 119.637 119.950 -0.004 0.000 2.293 270 F HA 0.326 4.850 4.527 -0.005 0.000 0.297 270 F C 1.706 177.411 175.800 -0.159 0.000 1.089 270 F CA 0.481 58.389 58.000 -0.152 0.000 1.377 270 F CB -0.372 38.416 39.000 -0.354 0.000 1.051 270 F HN 0.530 nan 8.300 nan 0.000 0.511 271 V N -3.405 116.586 119.914 0.128 0.000 3.078 271 V HA 0.808 4.925 4.120 -0.005 0.000 0.311 271 V C -0.606 175.531 176.094 0.072 0.000 1.138 271 V CA -0.581 61.763 62.300 0.073 0.000 1.007 271 V CB 1.847 33.762 31.823 0.153 0.000 1.045 271 V HN -0.102 nan 8.190 nan 0.000 0.432 272 T N 3.955 118.543 114.554 0.056 0.000 2.928 272 T HA 0.612 4.959 4.350 -0.005 0.000 0.296 272 T C -0.451 174.290 174.700 0.069 0.000 1.000 272 T CA -0.376 61.757 62.100 0.055 0.000 0.989 272 T CB 1.243 70.132 68.868 0.036 0.000 1.005 272 T HN 0.748 nan 8.240 nan 0.000 0.442 273 L N 2.469 123.740 121.223 0.079 0.000 2.439 273 L HA 0.491 4.828 4.340 -0.005 0.000 0.261 273 L C 1.277 178.212 176.870 0.108 0.000 1.153 273 L CA -0.753 54.148 54.840 0.102 0.000 0.808 273 L CB 0.850 42.977 42.059 0.113 0.000 1.126 273 L HN 0.744 nan 8.230 nan 0.000 0.460 274 S N -0.776 115.015 115.700 0.152 0.000 2.614 274 S HA 0.070 4.537 4.470 -0.005 0.000 0.265 274 S C 0.564 175.226 174.600 0.104 0.000 1.303 274 S CA -0.772 57.508 58.200 0.133 0.000 1.000 274 S CB 0.936 64.245 63.200 0.181 0.000 0.935 274 S HN 0.593 nan 8.310 nan 0.000 0.551 275 D N 1.152 121.581 120.400 0.048 0.000 2.263 275 D HA -0.057 4.580 4.640 -0.005 0.000 0.208 275 D C 2.067 178.340 176.300 -0.045 0.000 0.971 275 D CA 1.409 55.414 54.000 0.009 0.000 0.867 275 D CB -0.603 40.194 40.800 -0.004 0.000 0.929 275 D HN 0.715 nan 8.370 nan 0.000 0.492 276 A N 0.168 122.934 122.820 -0.089 0.000 1.972 276 A HA -0.170 4.147 4.320 -0.005 0.000 0.219 276 A C 0.998 178.223 177.584 -0.599 0.000 1.169 276 A CA 1.012 52.838 52.037 -0.352 0.000 0.635 276 A CB -0.519 18.217 19.000 -0.440 0.000 0.810 276 A HN 0.283 nan 8.150 nan 0.000 0.446 277 Y N 0.025 120.332 120.300 0.011 0.000 2.720 277 Y HA 0.366 4.913 4.550 -0.005 0.000 0.268 277 Y C 0.487 176.392 175.900 0.009 0.000 1.142 277 Y CA 0.103 58.209 58.100 0.009 0.000 1.193 277 Y CB 0.285 38.753 38.460 0.013 0.000 1.176 277 Y HN 0.304 nan 8.280 nan 0.000 0.542 278 S N -1.432 114.312 115.700 0.072 0.000 2.588 278 S HA 0.739 5.206 4.470 -0.005 0.000 0.269 278 S C -0.491 174.120 174.600 0.017 0.000 1.157 278 S CA -0.820 57.412 58.200 0.054 0.000 0.824 278 S CB 2.148 65.387 63.200 0.064 0.000 1.126 278 S HN 0.098 nan 8.310 nan 0.000 0.464 279 T N -1.814 112.749 114.554 0.015 0.000 2.930 279 T HA 0.942 5.289 4.350 -0.005 0.000 0.290 279 T C 0.163 174.867 174.700 0.007 0.000 1.052 279 T CA -0.373 61.729 62.100 0.004 0.000 1.017 279 T CB 1.388 70.257 68.868 0.002 0.000 1.137 279 T HN 1.537 nan 8.240 nan 0.000 0.511 280 G N -0.397 108.405 108.800 0.003 0.000 2.687 280 G HA2 0.619 4.576 3.960 -0.005 0.000 0.291 280 G HA3 0.619 4.576 3.960 -0.005 0.000 0.291 280 G C -1.454 173.447 174.900 0.002 0.000 1.420 280 G CA -0.736 44.366 45.100 0.004 0.000 0.796 280 G HN 0.905 nan 8.290 nan 0.000 0.485 281 S N -1.477 114.224 115.700 0.002 0.000 2.536 281 S HA 0.563 5.030 4.470 -0.005 0.000 0.298 281 S C 1.161 175.762 174.600 0.001 0.000 1.083 281 S CA -0.070 58.130 58.200 0.001 0.000 0.995 281 S CB 1.798 64.999 63.200 0.001 0.000 1.058 281 S HN 0.521 nan 8.310 nan 0.000 0.488 282 S N 3.005 118.705 115.700 -0.000 0.000 2.402 282 S HA -0.038 4.429 4.470 -0.005 0.000 0.229 282 S C 1.448 176.049 174.600 0.000 0.000 1.021 282 S CA 1.014 59.213 58.200 -0.000 0.000 0.974 282 S CB -0.321 62.879 63.200 -0.001 0.000 0.800 282 S HN 0.621 nan 8.310 nan 0.000 0.484 283 L N 0.470 121.693 121.223 0.000 0.000 2.478 283 L HA 0.262 4.600 4.340 -0.005 0.000 0.223 283 L C 0.235 177.105 176.870 0.001 0.000 1.140 283 L CA 1.077 55.917 54.840 0.000 0.000 0.842 283 L CB -0.451 41.608 42.059 0.000 0.000 0.953 283 L HN 0.207 nan 8.230 nan 0.000 0.452 284 L N -0.440 120.784 121.223 0.001 0.000 2.514 284 L HA 0.259 4.596 4.340 -0.005 0.000 0.257 284 L C -1.769 175.103 176.870 0.003 0.000 1.101 284 L CA -0.901 53.940 54.840 0.002 0.000 0.911 284 L CB 1.681 43.742 42.059 0.002 0.000 1.162 284 L HN -0.139 nan 8.230 nan 0.000 0.477 285 P HA -0.175 nan 4.420 nan 0.000 0.220 285 P C 1.413 178.717 177.300 0.005 0.000 1.148 285 P CA 0.864 63.967 63.100 0.004 0.000 0.803 285 P CB 0.322 32.023 31.700 0.003 0.000 0.782 286 Q N 0.449 120.251 119.800 0.005 0.000 2.167 286 Q HA -0.136 4.202 4.340 -0.005 0.000 0.202 286 Q C 0.873 176.878 176.000 0.008 0.000 0.970 286 Q CA 0.891 56.697 55.803 0.005 0.000 0.855 286 Q CB -0.227 28.513 28.738 0.003 0.000 0.911 286 Q HN 0.131 nan 8.270 nan 0.000 0.438 287 K N 1.659 122.063 120.400 0.007 0.000 2.378 287 K HA 0.026 4.343 4.320 -0.005 0.000 0.288 287 K C -1.002 175.605 176.600 0.011 0.000 1.057 287 K CA 0.157 56.449 56.287 0.009 0.000 0.971 287 K CB 0.401 32.905 32.500 0.006 0.000 0.975 287 K HN -0.102 nan 8.250 nan 0.000 0.475 288 K N 4.946 125.355 120.400 0.015 0.000 2.621 288 K HA 0.189 4.506 4.320 -0.005 0.000 0.233 288 K C -1.142 175.471 176.600 0.022 0.000 0.972 288 K CA -0.730 55.569 56.287 0.020 0.000 0.988 288 K CB 0.563 33.079 32.500 0.026 0.000 1.187 288 K HN 0.591 nan 8.250 nan 0.000 0.471 289 N N 5.195 123.906 118.700 0.019 0.000 2.475 289 N HA 0.086 4.823 4.740 -0.005 0.000 0.267 289 N C -2.280 173.247 175.510 0.028 0.000 1.169 289 N CA -1.404 51.657 53.050 0.018 0.000 0.947 289 N CB 1.050 39.545 38.487 0.013 0.000 1.061 289 N HN 0.412 nan 8.380 nan 0.000 0.466 290 P HA 0.146 nan 4.420 nan 0.000 0.220 290 P C -0.423 176.898 177.300 0.035 0.000 1.806 290 P CA -0.194 62.928 63.100 0.037 0.000 0.976 290 P CB 0.113 31.827 31.700 0.023 0.000 1.952 291 D N 0.880 121.304 120.400 0.039 0.000 2.116 291 D HA -0.196 4.442 4.640 -0.005 0.000 0.193 291 D C 2.250 178.578 176.300 0.046 0.000 0.998 291 D CA 2.250 56.270 54.000 0.034 0.000 0.836 291 D CB -0.399 40.419 40.800 0.029 0.000 0.951 291 D HN 0.296 nan 8.370 nan 0.000 0.449 292 S N 0.281 116.030 115.700 0.082 0.000 2.370 292 S HA -0.172 4.295 4.470 -0.005 0.000 0.226 292 S C 2.116 176.745 174.600 0.048 0.000 1.033 292 S CA 0.825 59.087 58.200 0.103 0.000 1.011 292 S CB -0.798 62.533 63.200 0.218 0.000 0.852 292 S HN 0.271 nan 8.310 nan 0.000 0.457 293 L N 1.244 122.485 121.223 0.030 0.000 2.056 293 L HA -0.058 4.279 4.340 -0.005 0.000 0.207 293 L C 2.948 179.815 176.870 -0.005 0.000 1.078 293 L CA 1.688 56.527 54.840 -0.001 0.000 0.749 293 L CB -0.739 41.315 42.059 -0.008 0.000 0.901 293 L HN 0.393 nan 8.230 nan 0.000 0.433 294 E N 0.179 120.380 120.200 0.002 0.000 2.110 294 E HA -0.248 4.099 4.350 -0.005 0.000 0.193 294 E C 2.123 178.724 176.600 0.002 0.000 0.988 294 E CA 0.994 57.392 56.400 -0.002 0.000 0.804 294 E CB -0.135 29.566 29.700 0.001 0.000 0.745 294 E HN 0.257 nan 8.360 nan 0.000 0.458 295 L N 1.075 122.304 121.223 0.010 0.000 2.027 295 L HA -0.145 4.192 4.340 -0.005 0.000 0.206 295 L C 2.073 178.947 176.870 0.007 0.000 1.074 295 L CA 1.494 56.341 54.840 0.012 0.000 0.745 295 L CB -0.170 41.902 42.059 0.022 0.000 0.898 295 L HN 0.099 nan 8.230 nan 0.000 0.433 296 I N -0.730 119.842 120.570 0.004 0.000 2.226 296 I HA -0.315 3.853 4.170 -0.005 0.000 0.245 296 I C 2.732 178.845 176.117 -0.007 0.000 1.100 296 I CA 1.487 62.785 61.300 -0.004 0.000 1.374 296 I CB -0.400 37.590 38.000 -0.016 0.000 1.057 296 I HN 0.315 nan 8.210 nan 0.000 0.413 297 R N 1.119 121.612 120.500 -0.011 0.000 2.091 297 R HA -0.199 4.138 4.340 -0.005 0.000 0.238 297 R C 2.517 178.813 176.300 -0.007 0.000 1.136 297 R CA 2.105 58.197 56.100 -0.014 0.000 0.959 297 R CB -0.219 30.069 30.300 -0.021 0.000 0.856 297 R HN 0.458 nan 8.270 nan 0.000 0.437 298 S N 0.075 115.775 115.700 -0.001 0.000 2.447 298 S HA -0.031 4.436 4.470 -0.005 0.000 0.233 298 S C 1.565 176.173 174.600 0.014 0.000 1.006 298 S CA 0.603 58.807 58.200 0.007 0.000 0.957 298 S CB 0.030 63.234 63.200 0.007 0.000 0.773 298 S HN 0.206 nan 8.310 nan 0.000 0.507 299 K N 1.695 122.102 120.400 0.012 0.000 2.365 299 K HA 0.283 4.600 4.320 -0.005 0.000 0.199 299 K C 2.253 178.867 176.600 0.024 0.000 1.045 299 K CA 0.931 57.228 56.287 0.016 0.000 0.962 299 K CB -0.968 31.538 32.500 0.010 0.000 0.759 299 K HN 0.527 nan 8.250 nan 0.000 0.469 300 A N 1.004 123.835 122.820 0.019 0.000 1.933 300 A HA -0.082 4.235 4.320 -0.005 0.000 0.218 300 A C 2.431 180.056 177.584 0.067 0.000 1.175 300 A CA 2.012 54.063 52.037 0.022 0.000 0.628 300 A CB -0.935 18.060 19.000 -0.007 0.000 0.814 300 A HN 0.355 nan 8.150 nan 0.000 0.444 301 G N -0.919 107.921 108.800 0.068 0.000 2.408 301 G HA2 -0.211 3.746 3.960 -0.005 0.000 0.217 301 G HA3 -0.211 3.746 3.960 -0.005 0.000 0.217 301 G C 1.731 176.709 174.900 0.130 0.000 1.150 301 G CA 0.886 46.062 45.100 0.127 0.000 0.776 301 G HN 0.526 nan 8.290 nan 0.000 0.542 302 R N -0.049 120.492 120.500 0.070 0.000 2.081 302 R HA -0.044 4.293 4.340 -0.005 0.000 0.235 302 R C 2.586 178.908 176.300 0.036 0.000 1.131 302 R CA 1.511 57.635 56.100 0.039 0.000 0.960 302 R CB -0.330 29.984 30.300 0.023 0.000 0.856 302 R HN 0.278 nan 8.270 nan 0.000 0.436 303 V N 0.780 120.727 119.914 0.055 0.000 2.358 303 V HA -0.212 3.905 4.120 -0.005 0.000 0.246 303 V C 2.022 178.160 176.094 0.074 0.000 1.047 303 V CA 1.616 63.944 62.300 0.047 0.000 1.035 303 V CB -0.690 31.160 31.823 0.044 0.000 0.658 303 V HN 0.314 nan 8.190 nan 0.000 0.452 304 F N 2.405 122.339 119.950 -0.027 0.000 2.171 304 F HA -0.044 4.482 4.527 -0.003 0.000 0.300 304 F C 2.146 177.930 175.800 -0.027 0.000 1.090 304 F CA 1.448 59.431 58.000 -0.029 0.000 1.293 304 F CB -0.976 38.008 39.000 -0.027 0.000 1.013 304 F HN 0.134 nan 8.300 nan 0.000 0.486 305 G N 0.811 109.506 108.800 -0.176 0.000 2.440 305 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.218 305 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.218 305 G C 1.834 176.586 174.900 -0.246 0.000 1.154 305 G CA 0.664 45.603 45.100 -0.269 0.000 0.767 305 G HN 0.213 nan 8.290 nan 0.000 0.552 306 R N -0.238 120.174 120.500 -0.147 0.000 2.092 306 R HA 0.035 4.372 4.340 -0.005 0.000 0.231 306 R C 2.456 178.667 176.300 -0.147 0.000 1.119 306 R CA 0.762 56.791 56.100 -0.119 0.000 0.970 306 R CB -1.217 29.042 30.300 -0.067 0.000 0.864 306 R HN 0.454 nan 8.270 nan 0.000 0.440 307 L N 0.921 122.044 121.223 -0.166 0.000 1.994 307 L HA -0.069 4.268 4.340 -0.005 0.000 0.208 307 L C 2.192 178.933 176.870 -0.216 0.000 1.071 307 L CA 2.206 56.956 54.840 -0.150 0.000 0.745 307 L CB -0.926 41.088 42.059 -0.075 0.000 0.892 307 L HN 0.150 nan 8.230 nan 0.000 0.431 308 A N -0.500 122.084 122.820 -0.393 0.000 1.933 308 A HA -0.092 4.225 4.320 -0.005 0.000 0.218 308 A C 2.443 179.894 177.584 -0.221 0.000 1.175 308 A CA 1.899 53.720 52.037 -0.360 0.000 0.628 308 A CB -1.190 17.465 19.000 -0.576 0.000 0.814 308 A HN 0.632 nan 8.150 nan 0.000 0.444 309 A N -0.170 122.529 122.820 -0.203 0.000 1.845 309 A HA -0.113 4.204 4.320 -0.005 0.000 0.215 309 A C 2.107 179.621 177.584 -0.117 0.000 1.195 309 A CA 1.788 53.741 52.037 -0.140 0.000 0.616 309 A CB -0.670 18.257 19.000 -0.122 0.000 0.832 309 A HN 0.610 nan 8.150 nan 0.000 0.443 310 I N -0.220 120.279 120.570 -0.118 0.000 2.286 310 I HA -0.187 3.980 4.170 -0.005 0.000 0.248 310 I C 2.217 178.273 176.117 -0.101 0.000 1.115 310 I CA 1.138 62.372 61.300 -0.109 0.000 1.392 310 I CB -0.240 37.690 38.000 -0.116 0.000 1.065 310 I HN 0.345 nan 8.210 nan 0.000 0.418 311 L N -0.810 120.353 121.223 -0.100 0.000 2.046 311 L HA -0.227 4.110 4.340 -0.005 0.000 0.208 311 L C 2.570 179.396 176.870 -0.073 0.000 1.077 311 L CA 1.869 56.660 54.840 -0.081 0.000 0.747 311 L CB -0.524 41.492 42.059 -0.072 0.000 0.896 311 L HN 0.344 nan 8.230 nan 0.000 0.432 312 M N -0.805 118.746 119.600 -0.081 0.000 2.229 312 M HA -0.149 4.328 4.480 -0.005 0.000 0.264 312 M C 2.027 178.287 176.300 -0.067 0.000 1.063 312 M CA 1.334 56.592 55.300 -0.069 0.000 1.114 312 M CB 0.114 32.671 32.600 -0.073 0.000 1.387 312 M HN -0.004 nan 8.290 nan 0.000 0.420 313 V N 0.790 120.658 119.914 -0.076 0.000 2.427 313 V HA -0.257 3.860 4.120 -0.005 0.000 0.248 313 V C 2.182 178.231 176.094 -0.075 0.000 1.051 313 V CA 1.604 63.858 62.300 -0.077 0.000 1.048 313 V CB -0.620 31.152 31.823 -0.085 0.000 0.666 313 V HN 0.541 nan 8.190 nan 0.000 0.456 314 L N -0.724 120.455 121.223 -0.074 0.000 2.341 314 L HA 0.054 4.391 4.340 -0.005 0.000 0.214 314 L C 1.478 178.316 176.870 -0.053 0.000 1.115 314 L CA 0.410 55.209 54.840 -0.068 0.000 0.820 314 L CB -0.287 41.730 42.059 -0.070 0.000 0.944 314 L HN 0.143 nan 8.230 nan 0.000 0.452 315 K N 1.727 122.098 120.400 -0.049 0.000 2.453 315 K HA 0.003 4.320 4.320 -0.005 0.000 0.280 315 K C 0.835 177.414 176.600 -0.036 0.000 1.045 315 K CA 0.971 57.235 56.287 -0.038 0.000 1.059 315 K CB 0.331 32.809 32.500 -0.036 0.000 0.901 315 K HN 0.285 nan 8.250 nan 0.000 0.475 316 G N 4.187 112.969 108.800 -0.029 0.000 2.198 316 G HA2 -0.261 3.696 3.960 -0.005 0.000 0.260 316 G HA3 -0.261 3.696 3.960 -0.005 0.000 0.260 316 G C 0.191 175.074 174.900 -0.029 0.000 1.025 316 G CA 0.735 45.819 45.100 -0.026 0.000 0.769 316 G HN 0.771 nan 8.290 nan 0.000 0.507 317 I N -2.481 118.067 120.570 -0.035 0.000 2.562 317 I HA 0.763 4.930 4.170 -0.005 0.000 0.301 317 I C -1.650 174.447 176.117 -0.032 0.000 1.003 317 I CA -2.943 58.333 61.300 -0.040 0.000 1.127 317 I CB 1.113 39.078 38.000 -0.058 0.000 1.304 317 I HN -0.129 nan 8.210 nan 0.000 0.446 318 P HA 0.004 nan 4.420 nan 0.000 0.266 318 P C -0.386 176.907 177.300 -0.012 0.000 1.180 318 P CA 0.112 63.203 63.100 -0.016 0.000 0.765 318 P CB 0.326 32.018 31.700 -0.014 0.000 0.806 319 S N 1.003 116.704 115.700 0.001 0.000 4.183 319 S HA 0.315 4.782 4.470 -0.005 0.000 0.195 319 S C 0.340 174.956 174.600 0.027 0.000 1.421 319 S CA 0.068 58.275 58.200 0.011 0.000 0.920 319 S CB -0.785 62.423 63.200 0.014 0.000 1.525 319 S HN 0.652 nan 8.310 nan 0.000 0.447 320 T N 0.425 114.997 114.554 0.031 0.000 2.649 320 T HA 0.480 4.827 4.350 -0.005 0.000 0.305 320 T C -1.813 172.940 174.700 0.089 0.000 1.409 320 T CA -0.660 61.482 62.100 0.070 0.000 1.021 320 T CB 0.152 69.059 68.868 0.066 0.000 1.726 320 T HN 0.180 nan 8.240 nan 0.000 0.475 321 F N 2.741 122.693 119.950 0.002 0.000 2.396 321 F HA 0.670 5.194 4.527 -0.004 0.000 0.343 321 F C 0.256 176.054 175.800 -0.003 0.000 1.104 321 F CA 0.312 58.313 58.000 0.001 0.000 1.161 321 F CB 0.887 39.888 39.000 0.001 0.000 1.146 321 F HN 0.662 nan 8.300 nan 0.000 0.522 322 S N 4.484 119.656 115.700 -0.880 0.000 2.596 322 S HA 0.309 4.776 4.470 -0.005 0.000 0.270 322 S C 0.116 174.254 174.600 -0.772 0.000 1.155 322 S CA -1.039 56.825 58.200 -0.560 0.000 0.827 322 S CB 1.795 64.834 63.200 -0.268 0.000 1.130 322 S HN 0.763 nan 8.310 nan 0.000 0.467 323 K N 0.055 120.226 120.400 -0.381 0.000 2.439 323 K HA -0.050 4.267 4.320 -0.005 0.000 0.197 323 K C 0.435 176.907 176.600 -0.214 0.000 1.041 323 K CA 1.362 57.495 56.287 -0.258 0.000 0.970 323 K CB -0.489 31.954 32.500 -0.095 0.000 0.773 323 K HN 0.655 nan 8.250 nan 0.000 0.479 324 D N 0.782 121.051 120.400 -0.218 0.000 2.158 324 D HA -0.206 4.431 4.640 -0.005 0.000 0.197 324 D C 1.463 177.669 176.300 -0.156 0.000 0.995 324 D CA 0.831 54.737 54.000 -0.157 0.000 0.846 324 D CB -0.004 40.711 40.800 -0.142 0.000 0.941 324 D HN 0.093 nan 8.370 nan 0.000 0.456 325 L N 0.924 122.016 121.223 -0.218 0.000 2.187 325 L HA -0.183 4.154 4.340 -0.005 0.000 0.213 325 L C 2.272 179.094 176.870 -0.080 0.000 1.100 325 L CA 1.338 56.086 54.840 -0.153 0.000 0.765 325 L CB -1.461 40.495 42.059 -0.171 0.000 0.904 325 L HN 0.266 nan 8.230 nan 0.000 0.437 326 Q N 0.208 119.966 119.800 -0.070 0.000 2.268 326 Q HA -0.248 4.089 4.340 -0.005 0.000 0.210 326 Q C 1.508 177.494 176.000 -0.023 0.000 0.988 326 Q CA 1.464 57.258 55.803 -0.016 0.000 0.883 326 Q CB 0.107 28.839 28.738 -0.009 0.000 0.911 326 Q HN 0.471 nan 8.270 nan 0.000 0.430 327 E N 1.290 121.463 120.200 -0.045 0.000 2.401 327 E HA -0.161 4.187 4.350 -0.005 0.000 0.199 327 E C 1.434 178.006 176.600 -0.047 0.000 1.023 327 E CA 1.204 57.576 56.400 -0.046 0.000 0.859 327 E CB -0.152 29.512 29.700 -0.059 0.000 0.780 327 E HN 0.675 nan 8.360 nan 0.000 0.523 328 D N 1.000 121.371 120.400 -0.049 0.000 2.117 328 D HA -0.191 4.446 4.640 -0.005 0.000 0.197 328 D C 1.566 177.849 176.300 -0.028 0.000 0.987 328 D CA 1.064 55.029 54.000 -0.058 0.000 0.829 328 D CB -0.376 40.379 40.800 -0.076 0.000 0.961 328 D HN 0.089 nan 8.370 nan 0.000 0.460 329 K N 0.457 120.856 120.400 -0.002 0.000 2.001 329 K HA -0.164 4.153 4.320 -0.005 0.000 0.214 329 K C 2.395 178.998 176.600 0.004 0.000 1.050 329 K CA 1.684 57.980 56.287 0.015 0.000 0.934 329 K CB -0.202 32.313 32.500 0.024 0.000 0.718 329 K HN 0.232 nan 8.250 nan 0.000 0.443 330 E N 0.203 120.400 120.200 -0.004 0.000 2.118 330 E HA -0.207 4.140 4.350 -0.005 0.000 0.195 330 E C 2.034 178.626 176.600 -0.014 0.000 0.992 330 E CA 1.027 57.423 56.400 -0.008 0.000 0.804 330 E CB -0.089 29.604 29.700 -0.012 0.000 0.741 330 E HN 0.369 nan 8.360 nan 0.000 0.458 331 A N 0.872 123.676 122.820 -0.026 0.000 1.877 331 A HA -0.164 4.154 4.320 -0.005 0.000 0.216 331 A C 2.507 180.075 177.584 -0.026 0.000 1.186 331 A CA 1.783 53.799 52.037 -0.035 0.000 0.620 331 A CB -0.795 18.171 19.000 -0.056 0.000 0.822 331 A HN 0.242 nan 8.150 nan 0.000 0.443 332 V N -2.080 117.822 119.914 -0.020 0.000 2.667 332 V HA -0.088 4.029 4.120 -0.005 0.000 0.252 332 V C 2.242 178.343 176.094 0.012 0.000 1.065 332 V CA 1.559 63.856 62.300 -0.004 0.000 1.083 332 V CB -0.973 30.855 31.823 0.008 0.000 0.692 332 V HN 0.434 nan 8.190 nan 0.000 0.468 333 L N 0.459 121.690 121.223 0.013 0.000 2.093 333 L HA -0.092 4.245 4.340 -0.005 0.000 0.208 333 L C 2.583 179.461 176.870 0.012 0.000 1.085 333 L CA 2.062 56.912 54.840 0.017 0.000 0.755 333 L CB -0.744 41.325 42.059 0.017 0.000 0.904 333 L HN 0.370 nan 8.230 nan 0.000 0.435 334 D N 0.062 120.465 120.400 0.004 0.000 2.117 334 D HA -0.153 4.484 4.640 -0.005 0.000 0.197 334 D C 2.153 178.456 176.300 0.005 0.000 0.987 334 D CA 1.115 55.116 54.000 0.002 0.000 0.829 334 D CB 0.120 40.917 40.800 -0.006 0.000 0.961 334 D HN 0.005 nan 8.370 nan 0.000 0.460 335 V N 0.554 120.470 119.914 0.004 0.000 2.295 335 V HA -0.220 3.897 4.120 -0.005 0.000 0.246 335 V C 2.760 178.864 176.094 0.016 0.000 1.049 335 V CA 1.800 64.105 62.300 0.007 0.000 1.024 335 V CB -0.633 31.192 31.823 0.003 0.000 0.648 335 V HN 0.329 nan 8.190 nan 0.000 0.447 336 V N -1.413 118.514 119.914 0.022 0.000 2.358 336 V HA -0.197 3.921 4.120 -0.005 0.000 0.246 336 V C 2.103 178.216 176.094 0.031 0.000 1.047 336 V CA 2.266 64.585 62.300 0.031 0.000 1.035 336 V CB -0.902 30.944 31.823 0.038 0.000 0.658 336 V HN 0.439 nan 8.190 nan 0.000 0.452 337 D N 0.819 121.233 120.400 0.024 0.000 2.097 337 D HA -0.112 4.526 4.640 -0.005 0.000 0.195 337 D C 2.363 178.671 176.300 0.014 0.000 0.989 337 D CA 2.222 56.235 54.000 0.021 0.000 0.827 337 D CB -0.613 40.197 40.800 0.016 0.000 0.966 337 D HN 0.536 nan 8.370 nan 0.000 0.456 338 T N 1.337 115.898 114.554 0.012 0.000 2.708 338 T HA -0.143 4.204 4.350 -0.005 0.000 0.266 338 T C 1.964 176.669 174.700 0.008 0.000 1.037 338 T CA 0.533 62.638 62.100 0.008 0.000 1.146 338 T CB -0.391 68.483 68.868 0.009 0.000 0.865 338 T HN 0.001 nan 8.240 nan 0.000 0.435 339 L N 0.985 122.216 121.223 0.014 0.000 2.042 339 L HA -0.103 4.234 4.340 -0.005 0.000 0.210 339 L C 2.617 179.498 176.870 0.017 0.000 1.076 339 L CA 1.799 56.650 54.840 0.018 0.000 0.749 339 L CB -1.144 40.931 42.059 0.027 0.000 0.893 339 L HN 0.242 nan 8.230 nan 0.000 0.432 340 T N -0.527 114.042 114.554 0.025 0.000 2.684 340 T HA -0.201 4.146 4.350 -0.005 0.000 0.267 340 T C 1.880 176.533 174.700 -0.078 0.000 1.036 340 T CA 1.452 63.563 62.100 0.018 0.000 1.148 340 T CB -0.544 68.356 68.868 0.054 0.000 0.863 340 T HN 0.499 nan 8.240 nan 0.000 0.436 341 A N 0.832 123.624 122.820 -0.047 0.000 1.898 341 A HA -0.025 4.292 4.320 -0.005 0.000 0.216 341 A C 2.601 180.157 177.584 -0.047 0.000 1.181 341 A CA 1.256 53.261 52.037 -0.054 0.000 0.620 341 A CB -0.994 17.994 19.000 -0.020 0.000 0.819 341 A HN 0.347 nan 8.150 nan 0.000 0.442 342 V N 0.181 120.079 119.914 -0.028 0.000 2.343 342 V HA -0.255 3.862 4.120 -0.005 0.000 0.247 342 V C 2.570 178.642 176.094 -0.036 0.000 1.051 342 V CA 1.919 64.207 62.300 -0.021 0.000 1.036 342 V CB -0.743 31.074 31.823 -0.009 0.000 0.654 342 V HN 0.571 nan 8.190 nan 0.000 0.451 343 L N -0.595 120.603 121.223 -0.041 0.000 2.042 343 L HA -0.272 4.065 4.340 -0.005 0.000 0.210 343 L C 2.690 179.517 176.870 -0.073 0.000 1.076 343 L CA 1.800 56.618 54.840 -0.037 0.000 0.749 343 L CB -0.602 41.462 42.059 0.009 0.000 0.893 343 L HN 0.388 nan 8.230 nan 0.000 0.432 344 Q N -0.793 118.920 119.800 -0.144 0.000 2.079 344 Q HA -0.160 4.177 4.340 -0.005 0.000 0.200 344 Q C 2.346 178.315 176.000 -0.052 0.000 0.974 344 Q CA 1.347 57.067 55.803 -0.138 0.000 0.840 344 Q CB -0.159 28.446 28.738 -0.223 0.000 0.898 344 Q HN 0.338 nan 8.270 nan 0.000 0.430 345 V N 0.995 120.895 119.914 -0.024 0.000 2.407 345 V HA -0.279 3.838 4.120 -0.005 0.000 0.248 345 V C 2.219 178.233 176.094 -0.134 0.000 1.055 345 V CA 1.801 64.114 62.300 0.022 0.000 1.049 345 V CB -0.917 30.946 31.823 0.067 0.000 0.662 345 V HN 0.397 nan 8.190 nan 0.000 0.455 346 A N -0.311 122.445 122.820 -0.107 0.000 1.898 346 A HA -0.200 4.117 4.320 -0.005 0.000 0.216 346 A C 2.408 179.900 177.584 -0.153 0.000 1.181 346 A CA 2.363 54.320 52.037 -0.133 0.000 0.620 346 A CB -0.964 17.984 19.000 -0.086 0.000 0.819 346 A HN 0.480 nan 8.150 nan 0.000 0.442 347 T N -0.116 114.375 114.554 -0.105 0.000 2.746 347 T HA -0.062 4.285 4.350 -0.005 0.000 0.267 347 T C 1.947 176.575 174.700 -0.119 0.000 1.039 347 T CA 1.488 63.541 62.100 -0.078 0.000 1.142 347 T CB -0.630 68.223 68.868 -0.024 0.000 0.866 347 T HN 0.592 nan 8.240 nan 0.000 0.444 348 G N 1.111 109.804 108.800 -0.178 0.000 2.459 348 G HA2 -0.188 3.769 3.960 -0.005 0.000 0.217 348 G HA3 -0.188 3.769 3.960 -0.005 0.000 0.217 348 G C 1.713 176.267 174.900 -0.576 0.000 1.183 348 G CA 0.932 45.874 45.100 -0.264 0.000 0.776 348 G HN 0.428 nan 8.290 nan 0.000 0.552 349 V N 1.596 121.012 119.914 -0.831 0.000 2.287 349 V HA -0.178 3.939 4.120 -0.005 0.000 0.248 349 V C 2.817 178.780 176.094 -0.218 0.000 1.053 349 V CA 1.361 63.298 62.300 -0.604 0.000 1.027 349 V CB -0.348 31.233 31.823 -0.403 0.000 0.646 349 V HN 0.300 nan 8.190 nan 0.000 0.447 350 I N -0.132 120.349 120.570 -0.148 0.000 2.315 350 I HA -0.144 4.023 4.170 -0.005 0.000 0.248 350 I C 2.549 178.672 176.117 0.010 0.000 1.117 350 I CA 1.468 62.749 61.300 -0.032 0.000 1.404 350 I CB -1.353 36.622 38.000 -0.041 0.000 1.071 350 I HN 0.285 nan 8.210 nan 0.000 0.419 351 S N 0.629 116.317 115.700 -0.020 0.000 2.368 351 S HA -0.126 4.341 4.470 -0.005 0.000 0.224 351 S C 1.881 176.510 174.600 0.048 0.000 1.029 351 S CA 1.970 60.183 58.200 0.022 0.000 0.988 351 S CB -0.289 62.924 63.200 0.021 0.000 0.838 351 S HN 0.680 nan 8.310 nan 0.000 0.462 352 T N 0.431 115.010 114.554 0.042 0.000 3.086 352 T HA 0.334 4.681 4.350 -0.005 0.000 0.250 352 T C 0.432 175.183 174.700 0.085 0.000 1.074 352 T CA -0.505 61.646 62.100 0.084 0.000 0.988 352 T CB -0.661 68.300 68.868 0.155 0.000 0.988 352 T HN 0.212 nan 8.240 nan 0.000 0.530 353 L N 0.299 121.568 121.223 0.075 0.000 2.452 353 L HA 0.548 4.885 4.340 -0.005 0.000 0.267 353 L C -0.141 176.777 176.870 0.080 0.000 1.188 353 L CA -0.517 54.377 54.840 0.090 0.000 0.821 353 L CB 0.193 42.322 42.059 0.117 0.000 1.102 353 L HN 0.133 nan 8.230 nan 0.000 0.470 354 Q N 2.878 122.711 119.800 0.055 0.000 2.333 354 Q HA 0.603 4.940 4.340 -0.005 0.000 0.267 354 Q C -0.915 175.063 176.000 -0.037 0.000 1.012 354 Q CA -0.821 54.991 55.803 0.015 0.000 0.824 354 Q CB 1.763 30.511 28.738 0.017 0.000 1.290 354 Q HN 0.856 nan 8.270 nan 0.000 0.449 355 I N 1.063 121.560 120.570 -0.121 0.000 2.488 355 I HA 0.447 4.614 4.170 -0.005 0.000 0.299 355 I C -0.883 175.128 176.117 -0.178 0.000 0.984 355 I CA -0.741 60.403 61.300 -0.261 0.000 1.250 355 I CB 1.418 39.064 38.000 -0.590 0.000 1.389 355 I HN 0.567 nan 8.210 nan 0.000 0.488 356 N N 4.732 123.344 118.700 -0.147 0.000 2.801 356 N HA 0.184 4.921 4.740 -0.005 0.000 0.235 356 N C 0.070 175.521 175.510 -0.099 0.000 1.069 356 N CA -0.651 52.352 53.050 -0.078 0.000 0.946 356 N CB 1.050 39.531 38.487 -0.011 0.000 1.212 356 N HN 0.525 nan 8.380 nan 0.000 0.509 357 K N 1.051 121.376 120.400 -0.126 0.000 2.059 357 K HA -0.271 4.046 4.320 -0.005 0.000 0.212 357 K C 1.684 178.237 176.600 -0.079 0.000 1.050 357 K CA 1.316 57.528 56.287 -0.126 0.000 0.927 357 K CB -0.038 32.403 32.500 -0.098 0.000 0.714 357 K HN 0.495 nan 8.250 nan 0.000 0.447 358 E N 0.750 120.922 120.200 -0.046 0.000 2.070 358 E HA -0.234 4.113 4.350 -0.005 0.000 0.197 358 E C 1.633 178.229 176.600 -0.005 0.000 1.004 358 E CA 1.652 58.037 56.400 -0.025 0.000 0.805 358 E CB -0.135 29.555 29.700 -0.016 0.000 0.744 358 E HN 0.426 nan 8.360 nan 0.000 0.451 359 N N -0.558 118.156 118.700 0.024 0.000 2.244 359 N HA -0.133 4.604 4.740 -0.005 0.000 0.183 359 N C 1.903 177.507 175.510 0.156 0.000 1.016 359 N CA 1.152 54.263 53.050 0.101 0.000 0.866 359 N CB -0.064 38.511 38.487 0.147 0.000 0.980 359 N HN 0.245 nan 8.380 nan 0.000 0.430 360 M N 0.618 120.219 119.600 0.001 0.000 2.229 360 M HA -0.087 4.390 4.480 -0.005 0.000 0.264 360 M C 1.657 177.871 176.300 -0.143 0.000 1.063 360 M CA 1.070 56.217 55.300 -0.254 0.000 1.114 360 M CB -0.093 32.266 32.600 -0.403 0.000 1.387 360 M HN 0.083 nan 8.290 nan 0.000 0.420 361 E N 1.306 121.460 120.200 -0.078 0.000 2.017 361 E HA -0.150 4.197 4.350 -0.005 0.000 0.193 361 E C 1.892 178.475 176.600 -0.029 0.000 0.997 361 E CA 1.345 57.713 56.400 -0.053 0.000 0.804 361 E CB -0.438 29.238 29.700 -0.039 0.000 0.757 361 E HN 0.536 nan 8.360 nan 0.000 0.448 362 K N 0.867 121.263 120.400 -0.006 0.000 2.103 362 K HA -0.067 4.250 4.320 -0.005 0.000 0.207 362 K C 2.116 178.720 176.600 0.007 0.000 1.048 362 K CA 1.171 57.458 56.287 0.000 0.000 0.930 362 K CB -0.192 32.312 32.500 0.008 0.000 0.716 362 K HN 0.058 nan 8.250 nan 0.000 0.444 363 A N 1.339 124.184 122.820 0.042 0.000 2.125 363 A HA -0.060 4.257 4.320 -0.005 0.000 0.219 363 A C 1.093 178.672 177.584 -0.008 0.000 1.156 363 A CA 0.704 52.775 52.037 0.057 0.000 0.671 363 A CB -0.406 18.718 19.000 0.207 0.000 0.794 363 A HN 0.168 nan 8.150 nan 0.000 0.459 364 L N 2.533 123.736 121.223 -0.033 0.000 2.401 364 L HA 0.143 4.480 4.340 -0.005 0.000 0.283 364 L C 0.635 177.483 176.870 -0.037 0.000 1.151 364 L CA -0.440 54.372 54.840 -0.046 0.000 0.942 364 L CB -0.055 41.975 42.059 -0.049 0.000 1.283 364 L HN 0.364 nan 8.230 nan 0.000 0.442 365 T N -0.734 113.795 114.554 -0.040 0.000 2.913 365 T HA 0.312 4.659 4.350 -0.005 0.000 0.287 365 T C -1.690 172.983 174.700 -0.044 0.000 1.008 365 T CA -1.900 60.175 62.100 -0.043 0.000 1.067 365 T CB 1.615 70.458 68.868 -0.042 0.000 0.996 365 T HN 0.160 nan 8.240 nan 0.000 0.513 366 P HA -0.206 nan 4.420 nan 0.000 0.216 366 P C 1.543 178.807 177.300 -0.059 0.000 1.154 366 P CA 1.598 64.647 63.100 -0.085 0.000 0.865 366 P CB -0.057 31.556 31.700 -0.145 0.000 0.789 367 E N -0.460 119.709 120.200 -0.050 0.000 2.171 367 E HA -0.204 4.143 4.350 -0.005 0.000 0.197 367 E C 1.418 178.019 176.600 0.001 0.000 0.997 367 E CA 1.051 57.437 56.400 -0.025 0.000 0.810 367 E CB -1.252 28.435 29.700 -0.022 0.000 0.738 367 E HN 0.112 nan 8.360 nan 0.000 0.467 368 L N 0.606 121.826 121.223 -0.005 0.000 2.642 368 L HA -0.045 4.292 4.340 -0.005 0.000 0.236 368 L C 1.779 178.673 176.870 0.041 0.000 1.169 368 L CA 1.242 56.085 54.840 0.005 0.000 0.851 368 L CB -0.279 41.768 42.059 -0.019 0.000 0.968 368 L HN 0.279 nan 8.230 nan 0.000 0.453 369 L N -2.019 119.241 121.223 0.063 0.000 2.693 369 L HA 0.100 4.437 4.340 -0.005 0.000 0.235 369 L C 2.175 179.125 176.870 0.133 0.000 1.127 369 L CA 0.373 55.281 54.840 0.113 0.000 0.914 369 L CB -0.207 41.952 42.059 0.168 0.000 1.193 369 L HN 0.240 nan 8.230 nan 0.000 0.502 370 S N -1.256 114.506 115.700 0.104 0.000 2.419 370 S HA -0.197 4.270 4.470 -0.005 0.000 0.235 370 S C 1.808 176.480 174.600 0.120 0.000 1.019 370 S CA 1.863 60.130 58.200 0.113 0.000 0.982 370 S CB -0.604 62.645 63.200 0.081 0.000 0.789 370 S HN 0.377 nan 8.310 nan 0.000 0.490 371 T N 1.978 116.597 114.554 0.108 0.000 2.857 371 T HA -0.010 4.337 4.350 -0.005 0.000 0.266 371 T C 1.298 176.068 174.700 0.117 0.000 1.048 371 T CA 1.273 63.438 62.100 0.108 0.000 1.139 371 T CB -0.475 68.457 68.868 0.105 0.000 0.874 371 T HN 0.422 nan 8.240 nan 0.000 0.455 372 D N 1.118 121.591 120.400 0.121 0.000 2.178 372 D HA -0.010 4.627 4.640 -0.005 0.000 0.202 372 D C 1.948 178.327 176.300 0.133 0.000 0.974 372 D CA 0.413 54.478 54.000 0.109 0.000 0.841 372 D CB -0.355 40.502 40.800 0.096 0.000 0.953 372 D HN 0.179 nan 8.370 nan 0.000 0.478 373 L N 0.678 121.993 121.223 0.153 0.000 2.131 373 L HA -0.065 4.272 4.340 -0.005 0.000 0.210 373 L C 2.022 179.053 176.870 0.268 0.000 1.092 373 L CA 1.305 56.269 54.840 0.207 0.000 0.759 373 L CB -0.460 41.735 42.059 0.227 0.000 0.903 373 L HN -0.042 nan 8.230 nan 0.000 0.435 374 A N -1.385 121.546 122.820 0.185 0.000 1.898 374 A HA -0.048 4.269 4.320 -0.005 0.000 0.214 374 A C 1.975 179.618 177.584 0.099 0.000 1.183 374 A CA 1.149 53.269 52.037 0.138 0.000 0.622 374 A CB -0.604 18.457 19.000 0.103 0.000 0.824 374 A HN 0.346 nan 8.150 nan 0.000 0.444 375 L N -1.418 119.862 121.223 0.096 0.000 2.275 375 L HA -0.078 4.259 4.340 -0.005 0.000 0.215 375 L C 2.177 179.080 176.870 0.054 0.000 1.119 375 L CA 1.307 56.176 54.840 0.049 0.000 0.790 375 L CB -1.273 40.802 42.059 0.026 0.000 0.919 375 L HN 0.635 nan 8.230 nan 0.000 0.443 376 Y N -0.337 119.957 120.300 -0.010 0.000 2.200 376 Y HA -0.178 4.369 4.550 -0.005 0.000 0.290 376 Y C 2.191 178.059 175.900 -0.054 0.000 1.137 376 Y CA 1.504 59.592 58.100 -0.021 0.000 1.163 376 Y CB -0.122 38.351 38.460 0.021 0.000 0.988 376 Y HN 0.097 nan 8.280 nan 0.000 0.518 377 L N -1.239 119.925 121.223 -0.098 0.000 2.156 377 L HA -0.149 4.188 4.340 -0.005 0.000 0.208 377 L C 2.341 179.088 176.870 -0.205 0.000 1.095 377 L CA 0.662 55.352 54.840 -0.251 0.000 0.770 377 L CB -0.643 41.308 42.059 -0.181 0.000 0.914 377 L HN 0.101 nan 8.230 nan 0.000 0.439 378 V N 0.127 119.970 119.914 -0.120 0.000 2.295 378 V HA -0.264 3.853 4.120 -0.005 0.000 0.246 378 V C 2.595 178.615 176.094 -0.124 0.000 1.049 378 V CA 1.727 63.969 62.300 -0.096 0.000 1.024 378 V CB -0.574 31.218 31.823 -0.052 0.000 0.648 378 V HN 0.437 nan 8.190 nan 0.000 0.447 379 R N -0.000 120.410 120.500 -0.149 0.000 2.193 379 R HA -0.116 4.222 4.340 -0.005 0.000 0.229 379 R C 1.978 178.163 176.300 -0.191 0.000 1.110 379 R CA 0.882 56.890 56.100 -0.153 0.000 0.988 379 R CB -0.256 29.953 30.300 -0.151 0.000 0.871 379 R HN 0.469 nan 8.270 nan 0.000 0.458 380 K N -0.556 119.687 120.400 -0.262 0.000 2.444 380 K HA 0.055 4.372 4.320 -0.005 0.000 0.193 380 K C 0.851 177.348 176.600 -0.173 0.000 1.024 380 K CA 0.507 56.642 56.287 -0.254 0.000 1.077 380 K CB 0.821 33.099 32.500 -0.370 0.000 0.833 380 K HN 0.388 nan 8.250 nan 0.000 0.517 381 G N 1.357 110.072 108.800 -0.141 0.000 2.238 381 G HA2 -0.263 3.694 3.960 -0.005 0.000 0.217 381 G HA3 -0.263 3.694 3.960 -0.005 0.000 0.217 381 G C 0.119 174.964 174.900 -0.093 0.000 0.996 381 G CA -0.159 44.879 45.100 -0.103 0.000 0.632 381 G HN 0.269 nan 8.290 nan 0.000 0.503 382 M N 2.478 122.011 119.600 -0.113 0.000 2.239 382 M HA 0.436 4.913 4.480 -0.005 0.000 0.348 382 M C -2.043 174.216 176.300 -0.067 0.000 1.239 382 M CA -1.255 53.989 55.300 -0.093 0.000 1.114 382 M CB 0.613 33.141 32.600 -0.119 0.000 1.641 382 M HN -0.010 nan 8.290 nan 0.000 0.453 383 P HA -0.035 nan 4.420 nan 0.000 0.267 383 P C 0.421 177.706 177.300 -0.025 0.000 1.200 383 P CA -0.085 62.995 63.100 -0.032 0.000 0.772 383 P CB 0.419 32.104 31.700 -0.025 0.000 0.855 384 I N 3.498 124.059 120.570 -0.016 0.000 2.248 384 I HA -0.307 3.860 4.170 -0.005 0.000 0.248 384 I C 1.817 177.936 176.117 0.004 0.000 1.107 384 I CA 1.925 63.223 61.300 -0.004 0.000 1.373 384 I CB -0.228 37.774 38.000 0.003 0.000 1.055 384 I HN 0.246 nan 8.210 nan 0.000 0.418 385 R N 0.589 121.091 120.500 0.002 0.000 2.073 385 R HA -0.143 4.194 4.340 -0.005 0.000 0.234 385 R C 2.216 178.521 176.300 0.008 0.000 1.134 385 R CA 1.575 57.680 56.100 0.007 0.000 0.952 385 R CB -0.941 29.361 30.300 0.004 0.000 0.850 385 R HN 0.480 nan 8.270 nan 0.000 0.433 386 Q N 0.438 120.238 119.800 -0.001 0.000 2.050 386 Q HA -0.028 4.309 4.340 -0.005 0.000 0.202 386 Q C 2.283 178.286 176.000 0.005 0.000 0.980 386 Q CA 1.739 57.541 55.803 -0.002 0.000 0.840 386 Q CB -0.663 28.063 28.738 -0.019 0.000 0.898 386 Q HN 0.391 nan 8.270 nan 0.000 0.424 387 A N 1.676 124.494 122.820 -0.003 0.000 1.917 387 A HA -0.284 4.033 4.320 -0.005 0.000 0.219 387 A C 2.180 179.795 177.584 0.052 0.000 1.182 387 A CA 1.961 54.005 52.037 0.011 0.000 0.633 387 A CB -0.650 18.352 19.000 0.003 0.000 0.819 387 A HN 0.451 nan 8.150 nan 0.000 0.448 388 Q N -1.276 118.551 119.800 0.046 0.000 2.050 388 Q HA -0.125 4.212 4.340 -0.005 0.000 0.202 388 Q C 2.284 178.321 176.000 0.062 0.000 0.980 388 Q CA 1.866 57.703 55.803 0.057 0.000 0.840 388 Q CB -0.456 28.309 28.738 0.044 0.000 0.898 388 Q HN 0.687 nan 8.270 nan 0.000 0.424 389 T N 1.184 115.768 114.554 0.049 0.000 2.652 389 T HA -0.219 4.128 4.350 -0.005 0.000 0.267 389 T C 1.944 176.690 174.700 0.077 0.000 1.039 389 T CA 1.428 63.558 62.100 0.050 0.000 1.153 389 T CB -0.475 68.414 68.868 0.035 0.000 0.863 389 T HN 0.433 nan 8.240 nan 0.000 0.428 390 A N 1.127 123.999 122.820 0.086 0.000 1.884 390 A HA -0.185 4.132 4.320 -0.005 0.000 0.219 390 A C 2.570 180.271 177.584 0.196 0.000 1.197 390 A CA 2.544 54.664 52.037 0.139 0.000 0.637 390 A CB -1.326 17.741 19.000 0.113 0.000 0.827 390 A HN 0.483 nan 8.150 nan 0.000 0.450 391 S N -0.815 114.998 115.700 0.188 0.000 2.419 391 S HA -0.026 4.441 4.470 -0.005 0.000 0.233 391 S C 1.919 176.601 174.600 0.137 0.000 1.016 391 S CA 1.659 59.975 58.200 0.194 0.000 0.974 391 S CB -0.629 62.673 63.200 0.169 0.000 0.786 391 S HN 0.755 nan 8.310 nan 0.000 0.492 392 G N 0.689 109.556 108.800 0.110 0.000 2.448 392 G HA2 -0.075 3.882 3.960 -0.005 0.000 0.218 392 G HA3 -0.075 3.882 3.960 -0.005 0.000 0.218 392 G C 1.541 176.505 174.900 0.107 0.000 1.135 392 G CA 0.387 45.540 45.100 0.089 0.000 0.784 392 G HN 0.533 nan 8.290 nan 0.000 0.543 393 K N 0.584 121.055 120.400 0.119 0.000 2.057 393 K HA 0.116 4.433 4.320 -0.005 0.000 0.206 393 K C 2.938 179.618 176.600 0.132 0.000 1.050 393 K CA 0.898 57.267 56.287 0.137 0.000 0.935 393 K CB -0.175 32.402 32.500 0.130 0.000 0.715 393 K HN 0.233 nan 8.250 nan 0.000 0.439 394 A N 1.496 124.384 122.820 0.114 0.000 1.908 394 A HA -0.153 4.164 4.320 -0.005 0.000 0.218 394 A C 2.409 180.016 177.584 0.039 0.000 1.181 394 A CA 1.968 54.039 52.037 0.057 0.000 0.627 394 A CB -0.974 18.056 19.000 0.050 0.000 0.818 394 A HN 0.222 nan 8.150 nan 0.000 0.445 395 V N -2.457 117.497 119.914 0.068 0.000 2.626 395 V HA -0.225 3.892 4.120 -0.005 0.000 0.252 395 V C 2.254 178.392 176.094 0.073 0.000 1.067 395 V CA 2.768 65.098 62.300 0.051 0.000 1.081 395 V CB -1.205 30.655 31.823 0.062 0.000 0.686 395 V HN 0.717 nan 8.190 nan 0.000 0.468 396 H N -0.070 119.003 119.070 0.005 0.000 2.415 396 H HA 0.138 4.691 4.556 -0.005 0.000 0.297 396 H C 1.970 177.295 175.328 -0.005 0.000 1.048 396 H CA 1.755 57.804 56.048 0.002 0.000 1.365 396 H CB -0.034 29.733 29.762 0.010 0.000 1.421 396 H HN 0.414 nan 8.280 nan 0.000 0.533 397 L N -0.079 121.086 121.223 -0.096 0.000 2.012 397 L HA -0.171 4.166 4.340 -0.005 0.000 0.210 397 L C 2.425 179.199 176.870 -0.159 0.000 1.073 397 L CA 1.519 56.269 54.840 -0.151 0.000 0.748 397 L CB -0.668 41.359 42.059 -0.053 0.000 0.891 397 L HN 0.452 nan 8.230 nan 0.000 0.431 398 A N -0.479 122.275 122.820 -0.110 0.000 1.940 398 A HA -0.254 4.064 4.320 -0.005 0.000 0.219 398 A C 2.001 179.518 177.584 -0.111 0.000 1.176 398 A CA 1.859 53.833 52.037 -0.106 0.000 0.631 398 A CB -0.509 18.433 19.000 -0.096 0.000 0.814 398 A HN 0.621 nan 8.150 nan 0.000 0.446 399 E N -0.448 119.679 120.200 -0.122 0.000 2.017 399 E HA -0.141 4.207 4.350 -0.005 0.000 0.193 399 E C 1.753 178.272 176.600 -0.135 0.000 0.997 399 E CA 1.604 57.942 56.400 -0.105 0.000 0.804 399 E CB -0.498 29.162 29.700 -0.067 0.000 0.757 399 E HN 0.757 nan 8.360 nan 0.000 0.448 400 T N -0.704 113.711 114.554 -0.233 0.000 3.650 400 T HA 0.059 4.406 4.350 -0.005 0.000 0.254 400 T C 0.913 175.538 174.700 -0.126 0.000 1.130 400 T CA 0.323 62.308 62.100 -0.192 0.000 0.984 400 T CB 0.061 68.763 68.868 -0.277 0.000 1.039 400 T HN -0.091 nan 8.240 nan 0.000 0.586 401 K N -0.435 119.901 120.400 -0.107 0.000 2.588 401 K HA 0.306 4.623 4.320 -0.005 0.000 0.216 401 K C 1.363 177.922 176.600 -0.069 0.000 1.382 401 K CA 0.395 56.633 56.287 -0.082 0.000 1.008 401 K CB 0.638 33.087 32.500 -0.085 0.000 1.138 401 K HN 0.421 nan 8.250 nan 0.000 0.619 402 G N 3.065 111.824 108.800 -0.069 0.000 2.225 402 G HA2 -0.274 3.683 3.960 -0.005 0.000 0.267 402 G HA3 -0.274 3.683 3.960 -0.005 0.000 0.267 402 G C 0.258 175.121 174.900 -0.061 0.000 1.024 402 G CA 1.142 46.208 45.100 -0.057 0.000 0.784 402 G HN 0.439 nan 8.290 nan 0.000 0.507 403 I N -3.492 117.034 120.570 -0.074 0.000 3.145 403 I HA 0.886 5.053 4.170 -0.005 0.000 0.313 403 I C 0.530 176.587 176.117 -0.100 0.000 1.122 403 I CA -0.736 60.514 61.300 -0.084 0.000 0.987 403 I CB 1.816 39.763 38.000 -0.089 0.000 1.236 403 I HN 0.187 nan 8.210 nan 0.000 0.453 404 T N -0.520 113.961 114.554 -0.121 0.000 2.824 404 T HA 0.399 4.746 4.350 -0.005 0.000 0.277 404 T C 1.189 175.766 174.700 -0.205 0.000 0.975 404 T CA -0.310 61.701 62.100 -0.149 0.000 0.966 404 T CB 1.303 70.074 68.868 -0.162 0.000 1.054 404 T HN 0.769 nan 8.240 nan 0.000 0.533 405 I N -0.356 120.065 120.570 -0.248 0.000 2.617 405 I HA 0.041 4.208 4.170 -0.005 0.000 0.256 405 I C 1.846 177.551 176.117 -0.685 0.000 1.167 405 I CA 1.015 62.125 61.300 -0.316 0.000 1.469 405 I CB -0.905 36.973 38.000 -0.203 0.000 1.098 405 I HN 0.698 nan 8.210 nan 0.000 0.436 406 N N 2.553 120.712 118.700 -0.902 0.000 2.443 406 N HA -0.230 4.507 4.740 -0.005 0.000 0.184 406 N C 0.357 175.402 175.510 -0.775 0.000 1.037 406 N CA 1.352 53.487 53.050 -1.525 0.000 0.896 406 N CB -0.917 37.092 38.487 -0.796 0.000 0.959 406 N HN 0.782 nan 8.380 nan 0.000 0.442 407 N N -0.230 118.221 118.700 -0.415 0.000 2.757 407 N HA 0.237 4.974 4.740 -0.005 0.000 0.296 407 N C -1.307 174.121 175.510 -0.136 0.000 1.874 407 N CA -0.497 52.438 53.050 -0.192 0.000 0.885 407 N CB 0.424 38.827 38.487 -0.139 0.000 1.242 407 N HN 0.028 nan 8.380 nan 0.000 0.488 408 L N 1.431 122.586 121.223 -0.113 0.000 2.322 408 L HA 0.390 4.727 4.340 -0.005 0.000 0.281 408 L C 0.786 177.628 176.870 -0.046 0.000 1.014 408 L CA -0.836 53.954 54.840 -0.084 0.000 0.815 408 L CB 1.841 43.839 42.059 -0.102 0.000 1.247 408 L HN 0.324 nan 8.230 nan 0.000 0.421 409 T N -0.423 114.105 114.554 -0.044 0.000 2.937 409 T HA -0.003 4.344 4.350 -0.005 0.000 0.316 409 T C 1.014 175.693 174.700 -0.035 0.000 1.079 409 T CA -0.595 61.488 62.100 -0.029 0.000 1.131 409 T CB 0.888 69.742 68.868 -0.024 0.000 1.000 409 T HN 0.463 nan 8.240 nan 0.000 0.549 410 L N 0.844 122.054 121.223 -0.020 0.000 2.353 410 L HA 0.032 4.369 4.340 -0.005 0.000 0.220 410 L C 2.160 179.029 176.870 -0.001 0.000 1.133 410 L CA 1.647 56.477 54.840 -0.017 0.000 0.798 410 L CB -1.175 40.888 42.059 0.007 0.000 0.922 410 L HN 0.752 nan 8.230 nan 0.000 0.445 411 E N -0.452 119.748 120.200 -0.001 0.000 2.072 411 E HA -0.139 4.208 4.350 -0.005 0.000 0.190 411 E C 1.861 178.464 176.600 0.004 0.000 0.982 411 E CA 1.149 57.555 56.400 0.010 0.000 0.803 411 E CB -0.263 29.440 29.700 0.005 0.000 0.755 411 E HN 0.424 nan 8.360 nan 0.000 0.453 412 D N -0.053 120.335 120.400 -0.021 0.000 2.182 412 D HA -0.123 4.514 4.640 -0.005 0.000 0.201 412 D C 1.801 178.075 176.300 -0.043 0.000 0.986 412 D CA 0.739 54.721 54.000 -0.031 0.000 0.847 412 D CB -0.010 40.759 40.800 -0.053 0.000 0.942 412 D HN 0.171 nan 8.370 nan 0.000 0.467 413 L N 0.262 121.430 121.223 -0.092 0.000 2.102 413 L HA -0.052 4.285 4.340 -0.005 0.000 0.202 413 L C 2.294 179.254 176.870 0.150 0.000 1.076 413 L CA 0.630 55.358 54.840 -0.186 0.000 0.761 413 L CB -0.169 41.542 42.059 -0.579 0.000 0.921 413 L HN -0.144 nan 8.230 nan 0.000 0.444 414 K N 0.443 120.932 120.400 0.149 0.000 2.160 414 K HA -0.175 4.142 4.320 -0.005 0.000 0.206 414 K C 2.258 178.949 176.600 0.152 0.000 1.047 414 K CA 1.785 58.184 56.287 0.185 0.000 0.930 414 K CB -0.472 32.094 32.500 0.111 0.000 0.720 414 K HN 0.448 nan 8.250 nan 0.000 0.450 415 S N 0.473 116.239 115.700 0.110 0.000 2.423 415 S HA -0.048 4.419 4.470 -0.005 0.000 0.231 415 S C 1.959 176.628 174.600 0.115 0.000 1.014 415 S CA 0.546 58.799 58.200 0.088 0.000 0.965 415 S CB -0.147 63.087 63.200 0.056 0.000 0.785 415 S HN 0.053 nan 8.310 nan 0.000 0.495 416 I N 0.828 121.504 120.570 0.177 0.000 2.277 416 I HA 0.198 4.365 4.170 -0.005 0.000 0.243 416 I C 1.189 177.428 176.117 0.202 0.000 1.094 416 I CA 0.793 62.223 61.300 0.217 0.000 1.393 416 I CB -1.038 37.170 38.000 0.346 0.000 1.078 416 I HN 0.460 nan 8.210 nan 0.000 0.417 417 S N 0.642 116.500 115.700 0.262 0.000 2.543 417 S HA 0.377 4.844 4.470 -0.005 0.000 0.273 417 S C -2.287 172.381 174.600 0.114 0.000 1.152 417 S CA -0.822 57.434 58.200 0.092 0.000 0.910 417 S CB 2.060 65.193 63.200 -0.111 0.000 1.105 417 S HN -0.118 nan 8.310 nan 0.000 0.465 418 P HA 0.064 nan 4.420 nan 0.000 0.234 418 P C 1.286 178.604 177.300 0.031 0.000 1.167 418 P CA 0.353 63.489 63.100 0.060 0.000 0.763 418 P CB 0.062 31.781 31.700 0.031 0.000 0.835 419 L N -1.733 119.452 121.223 -0.063 0.000 2.291 419 L HA 0.015 4.352 4.340 -0.005 0.000 0.214 419 L C 0.935 177.786 176.870 -0.031 0.000 1.120 419 L CA 0.275 55.043 54.840 -0.120 0.000 0.799 419 L CB -0.678 41.229 42.059 -0.253 0.000 0.925 419 L HN -0.145 nan 8.230 nan 0.000 0.446 420 F N 0.979 121.007 119.950 0.129 0.000 2.519 420 F HA 0.161 4.685 4.527 -0.005 0.000 0.375 420 F C 0.898 176.782 175.800 0.139 0.000 1.084 420 F CA -0.412 57.707 58.000 0.199 0.000 1.147 420 F CB -0.234 38.837 39.000 0.118 0.000 1.088 420 F HN -0.079 nan 8.300 nan 0.000 0.555 421 A N 2.374 125.424 122.820 0.383 0.000 2.580 421 A HA 0.538 4.856 4.320 -0.005 0.000 0.275 421 A C 1.274 178.947 177.584 0.149 0.000 1.321 421 A CA -0.094 52.074 52.037 0.218 0.000 0.924 421 A CB 0.164 19.273 19.000 0.182 0.000 1.512 421 A HN 0.565 nan 8.150 nan 0.000 0.492 422 S N 0.567 116.321 115.700 0.091 0.000 2.406 422 S HA -0.107 4.360 4.470 -0.005 0.000 0.228 422 S C 1.251 175.856 174.600 0.008 0.000 1.020 422 S CA 1.247 59.470 58.200 0.039 0.000 0.965 422 S CB -0.360 62.859 63.200 0.031 0.000 0.798 422 S HN 0.844 nan 8.310 nan 0.000 0.488 423 D N 1.445 121.875 120.400 0.051 0.000 2.378 423 D HA 0.001 4.638 4.640 -0.005 0.000 0.227 423 D C 1.436 177.679 176.300 -0.095 0.000 1.012 423 D CA 0.126 54.143 54.000 0.029 0.000 0.905 423 D CB -0.399 40.467 40.800 0.109 0.000 0.895 423 D HN 0.283 nan 8.370 nan 0.000 0.532 424 V N 1.289 121.058 119.914 -0.242 0.000 3.141 424 V HA -0.166 3.951 4.120 -0.005 0.000 0.265 424 V C 2.128 177.796 176.094 -0.711 0.000 1.126 424 V CA 1.781 63.627 62.300 -0.757 0.000 1.141 424 V CB -0.640 30.821 31.823 -0.604 0.000 0.743 424 V HN 0.395 nan 8.190 nan 0.000 0.492 425 S N -1.219 114.227 115.700 -0.422 0.000 2.489 425 S HA -0.141 4.327 4.470 -0.005 0.000 0.228 425 S C 1.672 176.072 174.600 -0.334 0.000 0.995 425 S CA 0.854 58.829 58.200 -0.374 0.000 0.934 425 S CB -0.263 62.864 63.200 -0.121 0.000 0.771 425 S HN 0.746 nan 8.310 nan 0.000 0.522 426 Q N 0.646 120.280 119.800 -0.276 0.000 2.369 426 Q HA 0.070 4.407 4.340 -0.005 0.000 0.206 426 Q C 1.915 177.798 176.000 -0.194 0.000 0.963 426 Q CA 0.898 56.603 55.803 -0.164 0.000 0.894 426 Q CB -0.303 28.382 28.738 -0.088 0.000 0.965 426 Q HN 0.507 nan 8.270 nan 0.000 0.475 427 V N 0.188 119.865 119.914 -0.395 0.000 2.515 427 V HA -0.174 3.943 4.120 -0.005 0.000 0.250 427 V C 1.169 177.183 176.094 -0.134 0.000 1.058 427 V CA 1.312 63.416 62.300 -0.326 0.000 1.064 427 V CB -0.399 31.112 31.823 -0.520 0.000 0.675 427 V HN 0.329 nan 8.190 nan 0.000 0.461 428 F N 0.805 120.719 119.950 -0.059 0.000 2.798 428 F HA 0.278 4.802 4.527 -0.005 0.000 0.324 428 F C 0.836 176.619 175.800 -0.029 0.000 1.210 428 F CA -0.044 57.929 58.000 -0.046 0.000 1.379 428 F CB -0.046 38.917 39.000 -0.060 0.000 1.368 428 F HN 0.057 nan 8.300 nan 0.000 0.565 429 S N -0.089 115.685 115.700 0.123 0.000 2.733 429 S HA 0.297 4.764 4.470 -0.005 0.000 0.294 429 S C 0.658 175.296 174.600 0.064 0.000 1.149 429 S CA -0.656 57.588 58.200 0.074 0.000 1.034 429 S CB 1.323 64.547 63.200 0.040 0.000 1.015 429 S HN 0.070 nan 8.310 nan 0.000 0.486 430 V N 5.252 125.199 119.914 0.054 0.000 2.688 430 V HA -0.116 4.001 4.120 -0.005 0.000 0.256 430 V C 2.034 178.158 176.094 0.050 0.000 1.084 430 V CA 1.971 64.300 62.300 0.047 0.000 1.103 430 V CB -0.529 31.308 31.823 0.024 0.000 0.688 430 V HN 0.808 nan 8.190 nan 0.000 0.480 431 V N 0.115 120.055 119.914 0.044 0.000 2.535 431 V HA -0.135 3.983 4.120 -0.005 0.000 0.246 431 V C 1.936 178.060 176.094 0.050 0.000 1.045 431 V CA 1.856 64.182 62.300 0.044 0.000 1.058 431 V CB -0.826 31.017 31.823 0.033 0.000 0.689 431 V HN 0.612 nan 8.190 nan 0.000 0.461 432 N N 0.061 118.786 118.700 0.042 0.000 2.270 432 N HA -0.143 4.594 4.740 -0.005 0.000 0.181 432 N C 2.057 177.595 175.510 0.047 0.000 1.016 432 N CA 1.123 54.192 53.050 0.032 0.000 0.870 432 N CB -0.083 38.411 38.487 0.012 0.000 0.979 432 N HN 0.380 nan 8.380 nan 0.000 0.431 433 S N 0.736 116.479 115.700 0.072 0.000 2.343 433 S HA -0.095 4.372 4.470 -0.005 0.000 0.219 433 S C 2.034 176.755 174.600 0.201 0.000 1.033 433 S CA 0.956 59.226 58.200 0.117 0.000 1.014 433 S CB -0.400 62.872 63.200 0.121 0.000 0.915 433 S HN 0.070 nan 8.310 nan 0.000 0.435 434 V N 2.273 122.295 119.914 0.181 0.000 2.490 434 V HA -0.064 4.053 4.120 -0.005 0.000 0.250 434 V C 2.358 178.595 176.094 0.238 0.000 1.061 434 V CA 1.754 64.189 62.300 0.224 0.000 1.064 434 V CB -0.638 31.255 31.823 0.117 0.000 0.670 434 V HN 0.472 nan 8.190 nan 0.000 0.461 435 E N -0.398 119.880 120.200 0.131 0.000 2.511 435 E HA -0.125 4.223 4.350 -0.005 0.000 0.196 435 E C 2.108 178.727 176.600 0.032 0.000 1.066 435 E CA 0.354 56.804 56.400 0.083 0.000 0.871 435 E CB -0.049 29.679 29.700 0.047 0.000 0.863 435 E HN 0.693 nan 8.360 nan 0.000 0.520 436 Q N -0.552 119.228 119.800 -0.033 0.000 2.172 436 Q HA -0.091 4.246 4.340 -0.005 0.000 0.200 436 Q C 0.109 175.911 176.000 -0.330 0.000 0.964 436 Q CA 0.701 56.352 55.803 -0.253 0.000 0.855 436 Q CB -0.008 28.434 28.738 -0.495 0.000 0.918 436 Q HN 0.349 nan 8.270 nan 0.000 0.444 437 Y N 0.877 121.188 120.300 0.019 0.000 2.667 437 Y HA 0.044 4.591 4.550 -0.005 0.000 0.340 437 Y C 1.296 177.204 175.900 0.013 0.000 1.303 437 Y CA 0.132 58.241 58.100 0.016 0.000 1.769 437 Y CB -0.357 38.114 38.460 0.018 0.000 1.804 437 Y HN 0.074 nan 8.280 nan 0.000 0.451 438 T N -2.612 111.984 114.554 0.071 0.000 3.065 438 T HA 0.332 4.680 4.350 -0.005 0.000 0.252 438 T C 1.073 175.801 174.700 0.047 0.000 1.099 438 T CA 0.062 62.194 62.100 0.053 0.000 1.063 438 T CB 0.022 68.902 68.868 0.020 0.000 0.948 438 T HN 0.434 nan 8.240 nan 0.000 0.506 439 A N 1.931 124.783 122.820 0.053 0.000 2.483 439 A HA 0.502 4.819 4.320 -0.005 0.000 0.238 439 A C 0.577 178.190 177.584 0.047 0.000 1.070 439 A CA -0.561 51.502 52.037 0.043 0.000 0.770 439 A CB -0.082 18.945 19.000 0.045 0.000 1.008 439 A HN 0.383 nan 8.150 nan 0.000 0.497 440 V N 2.204 122.136 119.914 0.030 0.000 2.621 440 V HA 0.273 4.390 4.120 -0.005 0.000 0.300 440 V C 1.655 177.764 176.094 0.024 0.000 1.031 440 V CA 1.931 64.245 62.300 0.022 0.000 1.210 440 V CB -0.755 31.075 31.823 0.013 0.000 0.864 440 V HN 2.010 nan 8.190 nan 0.000 0.477 441 G N 3.291 112.103 108.800 0.020 0.000 2.218 441 G HA2 -0.110 3.847 3.960 -0.005 0.000 0.216 441 G HA3 -0.110 3.847 3.960 -0.005 0.000 0.216 441 G C 0.519 175.428 174.900 0.016 0.000 0.994 441 G CA -0.032 45.074 45.100 0.010 0.000 0.637 441 G HN 1.332 nan 8.290 nan 0.000 0.505 442 G N -0.490 108.341 108.800 0.052 0.000 2.588 442 G HA2 0.503 4.460 3.960 -0.005 0.000 0.281 442 G HA3 0.503 4.460 3.960 -0.005 0.000 0.281 442 G C 1.125 176.055 174.900 0.051 0.000 1.236 442 G CA 1.003 46.148 45.100 0.074 0.000 0.969 442 G HN 0.741 nan 8.290 nan 0.000 0.504 443 T N -0.518 114.057 114.554 0.036 0.000 3.118 443 T HA 0.317 4.664 4.350 -0.005 0.000 0.260 443 T C 1.340 176.092 174.700 0.085 0.000 1.139 443 T CA 0.457 62.577 62.100 0.034 0.000 1.085 443 T CB -0.150 68.709 68.868 -0.015 0.000 0.934 443 T HN 0.817 nan 8.240 nan 0.000 0.518 444 A N 1.780 124.677 122.820 0.129 0.000 2.561 444 A HA 0.203 4.520 4.320 -0.005 0.000 0.234 444 A C 1.651 179.275 177.584 0.067 0.000 1.055 444 A CA -0.089 52.010 52.037 0.104 0.000 0.756 444 A CB 0.125 19.183 19.000 0.097 0.000 0.986 444 A HN 0.386 nan 8.150 nan 0.000 0.505 445 K N 1.449 121.884 120.400 0.057 0.000 2.034 445 K HA -0.230 4.087 4.320 -0.005 0.000 0.214 445 K C 2.280 178.901 176.600 0.036 0.000 1.051 445 K CA 2.359 58.673 56.287 0.045 0.000 0.931 445 K CB -0.245 32.279 32.500 0.041 0.000 0.715 445 K HN 0.933 nan 8.250 nan 0.000 0.446 446 S N -0.339 115.382 115.700 0.034 0.000 2.400 446 S HA -0.184 4.283 4.470 -0.005 0.000 0.232 446 S C 2.128 176.744 174.600 0.026 0.000 1.025 446 S CA 1.779 59.995 58.200 0.027 0.000 0.993 446 S CB -0.457 62.758 63.200 0.024 0.000 0.808 446 S HN 0.353 nan 8.310 nan 0.000 0.478 447 S N 0.613 116.333 115.700 0.033 0.000 2.371 447 S HA 0.014 4.481 4.470 -0.005 0.000 0.224 447 S C 1.840 176.451 174.600 0.020 0.000 1.029 447 S CA 0.999 59.217 58.200 0.030 0.000 0.978 447 S CB -0.583 62.644 63.200 0.045 0.000 0.833 447 S HN 0.419 nan 8.310 nan 0.000 0.466 448 V N 1.606 121.533 119.914 0.022 0.000 2.343 448 V HA -0.131 3.986 4.120 -0.005 0.000 0.247 448 V C 2.649 178.748 176.094 0.008 0.000 1.051 448 V CA 2.275 64.582 62.300 0.012 0.000 1.036 448 V CB -1.322 30.513 31.823 0.020 0.000 0.654 448 V HN 0.538 nan 8.190 nan 0.000 0.451 449 T N 0.369 114.932 114.554 0.015 0.000 2.746 449 T HA -0.160 4.187 4.350 -0.005 0.000 0.267 449 T C 2.064 176.768 174.700 0.007 0.000 1.039 449 T CA 1.595 63.703 62.100 0.013 0.000 1.142 449 T CB -0.396 68.482 68.868 0.016 0.000 0.866 449 T HN 0.577 nan 8.240 nan 0.000 0.444 450 A N 1.354 124.179 122.820 0.007 0.000 1.902 450 A HA -0.179 4.138 4.320 -0.005 0.000 0.217 450 A C 2.285 179.868 177.584 -0.002 0.000 1.181 450 A CA 1.577 53.616 52.037 0.004 0.000 0.623 450 A CB -0.641 18.363 19.000 0.006 0.000 0.818 450 A HN 0.550 nan 8.150 nan 0.000 0.443 451 Q N -0.500 119.296 119.800 -0.006 0.000 2.050 451 Q HA -0.132 4.205 4.340 -0.005 0.000 0.202 451 Q C 2.077 178.066 176.000 -0.018 0.000 0.980 451 Q CA 1.645 57.438 55.803 -0.016 0.000 0.840 451 Q CB -0.368 28.355 28.738 -0.025 0.000 0.898 451 Q HN 0.738 nan 8.270 nan 0.000 0.424 452 I N 0.553 121.114 120.570 -0.014 0.000 2.208 452 I HA -0.283 3.884 4.170 -0.005 0.000 0.245 452 I C 2.311 178.423 176.117 -0.008 0.000 1.097 452 I CA 1.093 62.386 61.300 -0.012 0.000 1.363 452 I CB -0.173 37.824 38.000 -0.005 0.000 1.051 452 I HN 0.197 nan 8.210 nan 0.000 0.413 453 E N 0.860 121.057 120.200 -0.004 0.000 2.077 453 E HA -0.226 4.121 4.350 -0.005 0.000 0.193 453 E C 2.192 178.789 176.600 -0.005 0.000 0.989 453 E CA 1.436 57.834 56.400 -0.002 0.000 0.800 453 E CB -0.078 29.622 29.700 0.001 0.000 0.746 453 E HN 0.444 nan 8.360 nan 0.000 0.452 454 Q N -0.406 119.390 119.800 -0.007 0.000 2.084 454 Q HA -0.105 4.232 4.340 -0.005 0.000 0.202 454 Q C 2.330 178.323 176.000 -0.012 0.000 0.978 454 Q CA 1.232 57.029 55.803 -0.009 0.000 0.844 454 Q CB -0.107 28.625 28.738 -0.010 0.000 0.898 454 Q HN 0.315 nan 8.270 nan 0.000 0.426 455 L N -0.102 121.111 121.223 -0.016 0.000 2.109 455 L HA -0.136 4.201 4.340 -0.005 0.000 0.207 455 L C 2.536 179.398 176.870 -0.013 0.000 1.086 455 L CA 0.821 55.650 54.840 -0.019 0.000 0.760 455 L CB -0.242 41.801 42.059 -0.027 0.000 0.910 455 L HN 0.110 nan 8.230 nan 0.000 0.437 456 R N 0.233 120.727 120.500 -0.010 0.000 2.127 456 R HA -0.225 4.112 4.340 -0.005 0.000 0.238 456 R C 2.214 178.512 176.300 -0.004 0.000 1.134 456 R CA 1.636 57.733 56.100 -0.006 0.000 0.975 456 R CB -0.054 30.244 30.300 -0.003 0.000 0.865 456 R HN 0.384 nan 8.270 nan 0.000 0.447 457 E N -0.164 120.033 120.200 -0.005 0.000 2.051 457 E HA -0.120 4.228 4.350 -0.005 0.000 0.189 457 E C 1.864 178.462 176.600 -0.004 0.000 0.979 457 E CA 0.704 57.102 56.400 -0.004 0.000 0.803 457 E CB -0.021 29.677 29.700 -0.003 0.000 0.761 457 E HN 0.312 nan 8.360 nan 0.000 0.451 458 L N 0.914 122.133 121.223 -0.006 0.000 2.081 458 L HA -0.237 4.100 4.340 -0.005 0.000 0.212 458 L C 2.577 179.444 176.870 -0.005 0.000 1.080 458 L CA 0.900 55.736 54.840 -0.006 0.000 0.754 458 L CB -0.397 41.656 42.059 -0.009 0.000 0.893 458 L HN 0.298 nan 8.230 nan 0.000 0.433 459 L N -0.205 121.014 121.223 -0.006 0.000 1.989 459 L HA -0.285 4.053 4.340 -0.005 0.000 0.211 459 L C 2.751 179.618 176.870 -0.004 0.000 1.071 459 L CA 1.585 56.422 54.840 -0.005 0.000 0.749 459 L CB -0.544 41.511 42.059 -0.005 0.000 0.890 459 L HN 0.265 nan 8.230 nan 0.000 0.431 460 K N 0.690 121.088 120.400 -0.003 0.000 2.032 460 K HA -0.229 4.088 4.320 -0.005 0.000 0.209 460 K C 1.606 178.204 176.600 -0.003 0.000 1.048 460 K CA 1.610 57.895 56.287 -0.003 0.000 0.927 460 K CB 0.046 32.545 32.500 -0.002 0.000 0.712 460 K HN -0.034 nan 8.250 nan 0.000 0.441 461 K N 1.295 121.694 120.400 -0.003 0.000 2.665 461 K HA 0.033 4.351 4.320 -0.005 0.000 0.196 461 K C -0.083 176.515 176.600 -0.003 0.000 1.021 461 K CA 0.510 56.795 56.287 -0.003 0.000 1.066 461 K CB 0.099 32.597 32.500 -0.002 0.000 0.849 461 K HN 0.311 nan 8.250 nan 0.000 0.500 462 Q N 0.000 119.798 119.800 -0.003 0.000 2.315 462 Q HA 0.000 4.337 4.340 -0.005 0.000 0.214 462 Q CA 0.000 55.801 55.803 -0.004 0.000 1.022 462 Q CB 0.000 28.737 28.738 -0.002 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481