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 3gvc_1_C DATA FIRST_RESID 26 DATA SEQUENCE DLAGKVAIVT GAGAGIGLAV ARRLADEGCH VLCADIDGDA ADAAATKIGC DATA SEQUENCE GAAACRVDVS DEQQIIAMVD ACVAAFGGVD KLVANAGVVH LASLIDTTVE DATA SEQUENCE DFDRVIAINL RGAWLCTKHA APRMIERGGG AIVNLSSLAG QVAVGGTGAY DATA SEQUENCE GMSKAGIIQL SRITAAELRS SGIRSNTLLP AFVDTPMQQT AMAMFDGALX DATA SEQUENCE XGGARSMIAR LQGRMAAPEE MAGIVVFLLS DDASMITGTT QIADGGTIAA DATA SEQUENCE LW 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.281 176.300 -0.032 0.000 2.045 26 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 26 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 27 L N 1.680 122.877 121.223 -0.043 0.000 3.202 27 L HA 0.480 4.821 4.340 0.001 0.000 0.278 27 L C 0.228 177.045 176.870 -0.088 0.000 1.268 27 L CA -0.351 54.452 54.840 -0.061 0.000 1.034 27 L CB 0.409 42.432 42.059 -0.060 0.000 1.407 27 L HN -0.012 nan 8.230 nan 0.000 0.581 28 A N -0.349 122.423 122.820 -0.081 0.000 2.546 28 A HA 0.456 4.777 4.320 0.001 0.000 0.243 28 A C 1.505 179.011 177.584 -0.129 0.000 1.063 28 A CA 0.834 52.806 52.037 -0.108 0.000 0.757 28 A CB -0.381 18.574 19.000 -0.074 0.000 0.991 28 A HN 0.934 nan 8.150 nan 0.000 0.503 29 G N 1.563 110.239 108.800 -0.206 0.000 2.141 29 G HA2 -0.181 3.779 3.960 0.001 0.000 0.242 29 G HA3 -0.181 3.779 3.960 0.001 0.000 0.242 29 G C 0.186 174.986 174.900 -0.166 0.000 0.982 29 G CA 0.500 45.485 45.100 -0.191 0.000 0.662 29 G HN 0.726 nan 8.290 nan 0.000 0.527 30 K N -0.254 120.037 120.400 -0.181 0.000 2.139 30 K HA 0.793 5.113 4.320 0.001 0.000 0.243 30 K C -0.114 176.387 176.600 -0.165 0.000 0.983 30 K CA -0.756 55.451 56.287 -0.133 0.000 0.890 30 K CB 2.328 34.767 32.500 -0.101 0.000 1.090 30 K HN 0.219 nan 8.250 nan 0.000 0.445 31 V N 0.831 120.680 119.914 -0.108 0.000 2.483 31 V HA 0.563 4.683 4.120 0.001 0.000 0.297 31 V C -0.767 175.282 176.094 -0.076 0.000 1.027 31 V CA -1.037 61.194 62.300 -0.116 0.000 0.855 31 V CB 1.597 33.414 31.823 -0.010 0.000 0.995 31 V HN 0.842 nan 8.190 nan 0.000 0.424 32 A N 5.928 128.687 122.820 -0.101 0.000 2.343 32 A HA 0.906 5.226 4.320 0.001 0.000 0.316 32 A C -0.827 176.747 177.584 -0.016 0.000 1.104 32 A CA -0.544 51.463 52.037 -0.050 0.000 0.768 32 A CB 0.964 19.931 19.000 -0.055 0.000 1.213 32 A HN 0.775 nan 8.150 nan 0.000 0.456 33 I N 2.335 122.912 120.570 0.012 0.000 2.331 33 I HA 0.401 4.571 4.170 0.001 0.000 0.292 33 I C -0.721 175.406 176.117 0.016 0.000 0.998 33 I CA -0.673 60.644 61.300 0.029 0.000 1.267 33 I CB 1.755 39.777 38.000 0.036 0.000 1.386 33 I HN 0.281 nan 8.210 nan 0.000 0.476 34 V N 4.899 124.824 119.914 0.019 0.000 2.376 34 V HA 0.281 4.402 4.120 0.001 0.000 0.287 34 V C 0.348 176.453 176.094 0.019 0.000 1.015 34 V CA -0.661 61.649 62.300 0.015 0.000 0.834 34 V CB 1.592 33.422 31.823 0.012 0.000 1.001 34 V HN 0.865 nan 8.190 nan 0.000 0.428 35 T N 0.807 115.371 114.554 0.016 0.000 2.904 35 T HA 0.548 4.898 4.350 0.001 0.000 0.290 35 T C 1.103 175.813 174.700 0.018 0.000 1.018 35 T CA 0.363 62.472 62.100 0.016 0.000 1.075 35 T CB 1.425 70.300 68.868 0.013 0.000 0.986 35 T HN 1.899 nan 8.240 nan 0.000 0.523 36 G N 0.694 109.505 108.800 0.018 0.000 2.249 36 G HA2 -0.092 3.869 3.960 0.001 0.000 0.273 36 G HA3 -0.092 3.869 3.960 0.001 0.000 0.273 36 G C 0.845 175.756 174.900 0.020 0.000 1.036 36 G CA 0.109 45.221 45.100 0.020 0.000 0.824 36 G HN 1.520 nan 8.290 nan 0.000 0.504 37 A N -0.451 122.380 122.820 0.019 0.000 2.206 37 A HA 0.438 4.759 4.320 0.001 0.000 0.211 37 A C 2.571 180.166 177.584 0.018 0.000 1.158 37 A CA 1.698 53.746 52.037 0.019 0.000 0.761 37 A CB -0.404 18.609 19.000 0.021 0.000 0.801 37 A HN 1.540 nan 8.150 nan 0.000 0.473 38 G N -0.432 108.378 108.800 0.017 0.000 2.442 38 G HA2 0.245 4.205 3.960 0.001 0.000 0.219 38 G HA3 0.245 4.205 3.960 0.001 0.000 0.219 38 G C 0.598 175.507 174.900 0.015 0.000 1.141 38 G CA 1.289 46.399 45.100 0.016 0.000 0.763 38 G HN 1.203 nan 8.290 nan 0.000 0.554 39 A N -3.112 119.718 122.820 0.016 0.000 2.609 39 A HA 0.742 5.062 4.320 0.001 0.000 0.291 39 A C 0.709 178.304 177.584 0.018 0.000 1.096 39 A CA 0.278 52.325 52.037 0.016 0.000 0.684 39 A CB 0.439 19.448 19.000 0.016 0.000 1.282 39 A HN 1.918 nan 8.150 nan 0.000 0.412 40 G N -0.185 108.626 108.800 0.017 0.000 2.566 40 G HA2 -0.233 3.727 3.960 0.001 0.000 0.280 40 G HA3 -0.233 3.727 3.960 0.001 0.000 0.280 40 G C 1.033 175.945 174.900 0.020 0.000 1.225 40 G CA 0.536 45.647 45.100 0.019 0.000 0.966 40 G HN 1.337 nan 8.290 nan 0.000 0.560 41 I N 1.612 122.195 120.570 0.022 0.000 2.151 41 I HA -0.167 4.003 4.170 0.001 0.000 0.243 41 I C 3.174 179.303 176.117 0.020 0.000 1.080 41 I CA 2.162 63.474 61.300 0.021 0.000 1.339 41 I CB -1.027 36.987 38.000 0.023 0.000 1.039 41 I HN 0.698 nan 8.210 nan 0.000 0.409 42 G N 1.258 110.070 108.800 0.020 0.000 2.476 42 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 42 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 42 G C 1.638 176.548 174.900 0.017 0.000 1.164 42 G CA 0.867 45.979 45.100 0.019 0.000 0.768 42 G HN 0.252 nan 8.290 nan 0.000 0.560 43 L N 1.517 122.750 121.223 0.017 0.000 1.994 43 L HA 0.113 4.453 4.340 0.001 0.000 0.208 43 L C 3.129 180.007 176.870 0.014 0.000 1.071 43 L CA 2.268 57.117 54.840 0.015 0.000 0.745 43 L CB -1.028 41.040 42.059 0.015 0.000 0.892 43 L HN 0.263 nan 8.230 nan 0.000 0.431 44 A N -1.224 121.605 122.820 0.015 0.000 1.948 44 A HA -0.186 4.134 4.320 0.001 0.000 0.220 44 A C 2.273 179.865 177.584 0.014 0.000 1.177 44 A CA 2.254 54.299 52.037 0.014 0.000 0.636 44 A CB -1.118 17.891 19.000 0.016 0.000 0.815 44 A HN 0.348 nan 8.150 nan 0.000 0.449 45 V N -0.427 119.495 119.914 0.014 0.000 2.323 45 V HA -0.177 3.943 4.120 0.001 0.000 0.244 45 V C 3.063 179.161 176.094 0.007 0.000 1.041 45 V CA 1.758 64.066 62.300 0.012 0.000 1.025 45 V CB -1.311 30.520 31.823 0.013 0.000 0.656 45 V HN 0.623 nan 8.190 nan 0.000 0.451 46 A N 0.475 123.299 122.820 0.007 0.000 1.892 46 A HA -0.312 4.008 4.320 0.001 0.000 0.218 46 A C 2.522 180.107 177.584 0.002 0.000 1.188 46 A CA 3.192 55.231 52.037 0.003 0.000 0.631 46 A CB -0.835 18.171 19.000 0.009 0.000 0.822 46 A HN 0.528 nan 8.150 nan 0.000 0.447 47 R N -0.396 120.108 120.500 0.007 0.000 2.073 47 R HA -0.105 4.235 4.340 0.001 0.000 0.234 47 R C 2.274 178.577 176.300 0.005 0.000 1.134 47 R CA 2.198 58.302 56.100 0.007 0.000 0.952 47 R CB -0.951 29.355 30.300 0.010 0.000 0.850 47 R HN 0.584 nan 8.270 nan 0.000 0.433 48 R N 0.321 120.824 120.500 0.006 0.000 2.115 48 R HA 0.185 4.525 4.340 0.001 0.000 0.226 48 R C 2.270 178.570 176.300 0.000 0.000 1.100 48 R CA 1.158 57.262 56.100 0.006 0.000 0.980 48 R CB -0.500 29.807 30.300 0.012 0.000 0.875 48 R HN 0.509 nan 8.270 nan 0.000 0.445 49 L N -0.391 120.828 121.223 -0.006 0.000 2.056 49 L HA -0.040 4.300 4.340 0.001 0.000 0.207 49 L C 2.432 179.288 176.870 -0.023 0.000 1.078 49 L CA 1.331 56.159 54.840 -0.019 0.000 0.749 49 L CB -0.608 41.435 42.059 -0.028 0.000 0.901 49 L HN 0.284 nan 8.230 nan 0.000 0.433 50 A N -0.283 122.528 122.820 -0.014 0.000 1.940 50 A HA -0.243 4.078 4.320 0.001 0.000 0.219 50 A C 1.906 179.490 177.584 -0.001 0.000 1.176 50 A CA 2.048 54.082 52.037 -0.005 0.000 0.631 50 A CB -0.487 18.516 19.000 0.005 0.000 0.814 50 A HN 0.351 nan 8.150 nan 0.000 0.446 51 D N -0.265 120.135 120.400 -0.001 0.000 2.183 51 D HA -0.068 4.572 4.640 0.001 0.000 0.203 51 D C 1.498 177.796 176.300 -0.004 0.000 0.969 51 D CA 0.832 54.833 54.000 0.001 0.000 0.842 51 D CB -0.172 40.630 40.800 0.004 0.000 0.957 51 D HN 0.394 nan 8.370 nan 0.000 0.484 52 E N -0.359 119.835 120.200 -0.010 0.000 2.502 52 E HA 0.122 4.472 4.350 0.001 0.000 0.194 52 E C 1.245 177.825 176.600 -0.033 0.000 1.062 52 E CA 0.427 56.817 56.400 -0.017 0.000 0.867 52 E CB 0.482 30.173 29.700 -0.014 0.000 0.888 52 E HN 0.345 nan 8.360 nan 0.000 0.510 53 G N 0.898 109.677 108.800 -0.036 0.000 2.179 53 G HA2 -0.258 3.702 3.960 0.001 0.000 0.220 53 G HA3 -0.258 3.702 3.960 0.001 0.000 0.220 53 G C 0.378 175.212 174.900 -0.110 0.000 0.990 53 G CA 0.021 45.087 45.100 -0.057 0.000 0.646 53 G HN 0.363 nan 8.290 nan 0.000 0.517 54 C N 2.061 121.302 119.300 -0.098 0.000 2.527 54 C HA 0.624 5.085 4.460 0.001 0.000 0.396 54 C C 1.073 175.990 174.990 -0.122 0.000 1.289 54 C CA -0.613 58.319 59.018 -0.144 0.000 2.047 54 C CB -0.768 26.911 27.740 -0.103 0.000 2.568 54 C HN 0.480 nan 8.230 nan 0.000 0.573 55 H N 2.948 121.833 119.070 -0.308 0.000 2.646 55 H HA 0.448 5.004 4.556 0.001 0.000 0.325 55 H C -0.273 174.656 175.328 -0.666 0.000 1.075 55 H CA -0.430 55.265 56.048 -0.588 0.000 1.421 55 H CB 0.861 30.023 29.762 -1.001 0.000 1.461 55 H HN 0.491 nan 8.280 nan 0.000 0.525 56 V N 4.756 124.436 119.914 -0.391 0.000 2.487 56 V HA 0.058 4.178 4.120 0.001 0.000 0.298 56 V C -0.502 175.580 176.094 -0.019 0.000 1.028 56 V CA -0.844 61.344 62.300 -0.187 0.000 0.860 56 V CB 1.925 33.708 31.823 -0.067 0.000 0.991 56 V HN 0.437 nan 8.190 nan 0.000 0.427 57 L N 5.675 126.960 121.223 0.104 0.000 2.278 57 L HA 0.437 4.777 4.340 0.001 0.000 0.287 57 L C -0.075 176.852 176.870 0.095 0.000 1.072 57 L CA 0.188 55.152 54.840 0.207 0.000 0.819 57 L CB 0.339 42.534 42.059 0.227 0.000 1.176 57 L HN 0.799 nan 8.230 nan 0.000 0.435 58 C N 5.903 125.253 119.300 0.082 0.000 2.227 58 C HA 0.736 5.196 4.460 0.001 0.000 0.333 58 C C 0.773 175.787 174.990 0.039 0.000 1.145 58 C CA -0.879 58.168 59.018 0.048 0.000 1.643 58 C CB -1.174 26.590 27.740 0.041 0.000 2.185 58 C HN 0.918 nan 8.230 nan 0.000 0.497 59 A N 3.465 126.304 122.820 0.032 0.000 2.317 59 A HA 0.772 5.092 4.320 0.001 0.000 0.327 59 A C -0.475 177.119 177.584 0.017 0.000 1.178 59 A CA -0.144 51.907 52.037 0.022 0.000 0.817 59 A CB 0.681 19.692 19.000 0.019 0.000 1.189 59 A HN 0.828 nan 8.150 nan 0.000 0.489 60 D N 1.584 121.992 120.400 0.013 0.000 2.655 60 D HA 0.193 4.833 4.640 0.001 0.000 0.229 60 D C 0.461 176.766 176.300 0.008 0.000 1.229 60 D CA -0.500 53.507 54.000 0.012 0.000 0.807 60 D CB 1.952 42.760 40.800 0.014 0.000 1.514 60 D HN 0.348 nan 8.370 nan 0.000 0.444 61 I N 0.888 121.464 120.570 0.009 0.000 2.614 61 I HA -0.120 4.051 4.170 0.001 0.000 0.258 61 I C 0.451 176.571 176.117 0.006 0.000 1.189 61 I CA 0.917 62.220 61.300 0.006 0.000 1.462 61 I CB 0.244 38.249 38.000 0.008 0.000 1.092 61 I HN 0.204 nan 8.210 nan 0.000 0.442 62 D N 0.438 120.843 120.400 0.008 0.000 2.411 62 D HA 0.124 4.764 4.640 0.001 0.000 0.225 62 D C 1.183 177.487 176.300 0.006 0.000 1.156 62 D CA 0.226 54.230 54.000 0.007 0.000 0.874 62 D CB 1.415 42.220 40.800 0.009 0.000 1.034 62 D HN 0.286 nan 8.370 nan 0.000 0.502 63 G N 3.538 112.340 108.800 0.004 0.000 2.432 63 G HA2 -0.250 3.710 3.960 0.001 0.000 0.219 63 G HA3 -0.250 3.710 3.960 0.001 0.000 0.219 63 G C 1.110 176.013 174.900 0.003 0.000 1.135 63 G CA 0.367 45.468 45.100 0.002 0.000 0.767 63 G HN 0.494 nan 8.290 nan 0.000 0.550 64 D N 1.185 121.587 120.400 0.004 0.000 2.117 64 D HA -0.040 4.600 4.640 0.001 0.000 0.198 64 D C 2.822 179.126 176.300 0.007 0.000 0.982 64 D CA 1.152 55.154 54.000 0.004 0.000 0.828 64 D CB -0.336 40.467 40.800 0.004 0.000 0.967 64 D HN 0.329 nan 8.370 nan 0.000 0.464 65 A N 1.498 124.322 122.820 0.008 0.000 1.902 65 A HA -0.032 4.289 4.320 0.001 0.000 0.217 65 A C 2.380 179.971 177.584 0.012 0.000 1.181 65 A CA 2.069 54.111 52.037 0.010 0.000 0.623 65 A CB -0.675 18.332 19.000 0.011 0.000 0.818 65 A HN 0.231 nan 8.150 nan 0.000 0.443 66 A N 0.308 123.135 122.820 0.012 0.000 1.865 66 A HA -0.246 4.074 4.320 0.001 0.000 0.217 66 A C 1.810 179.403 177.584 0.015 0.000 1.191 66 A CA 2.003 54.049 52.037 0.015 0.000 0.623 66 A CB -0.719 18.290 19.000 0.014 0.000 0.826 66 A HN 0.485 nan 8.150 nan 0.000 0.444 67 D N -0.008 120.399 120.400 0.011 0.000 2.104 67 D HA -0.100 4.541 4.640 0.001 0.000 0.194 67 D C 2.257 178.563 176.300 0.011 0.000 0.994 67 D CA 1.655 55.660 54.000 0.009 0.000 0.830 67 D CB -0.525 40.278 40.800 0.005 0.000 0.959 67 D HN 0.440 nan 8.370 nan 0.000 0.452 68 A N 1.144 123.970 122.820 0.010 0.000 1.933 68 A HA -0.063 4.257 4.320 0.001 0.000 0.218 68 A C 2.340 179.931 177.584 0.012 0.000 1.175 68 A CA 2.279 54.322 52.037 0.010 0.000 0.628 68 A CB -0.678 18.327 19.000 0.009 0.000 0.814 68 A HN 0.245 nan 8.150 nan 0.000 0.444 69 A N -0.032 122.797 122.820 0.015 0.000 1.877 69 A HA 0.127 4.447 4.320 0.001 0.000 0.216 69 A C 2.540 180.136 177.584 0.020 0.000 1.186 69 A CA 2.253 54.300 52.037 0.017 0.000 0.620 69 A CB -1.138 17.873 19.000 0.018 0.000 0.822 69 A HN 1.109 nan 8.150 nan 0.000 0.443 70 A N -0.857 121.977 122.820 0.023 0.000 1.908 70 A HA -0.111 4.209 4.320 0.001 0.000 0.218 70 A C 2.315 179.913 177.584 0.023 0.000 1.181 70 A CA 2.457 54.512 52.037 0.030 0.000 0.627 70 A CB -1.270 17.751 19.000 0.034 0.000 0.818 70 A HN 0.486 nan 8.150 nan 0.000 0.445 71 T N -0.016 114.547 114.554 0.016 0.000 2.812 71 T HA 0.042 4.392 4.350 0.001 0.000 0.264 71 T C 2.398 177.105 174.700 0.013 0.000 1.042 71 T CA 2.117 64.225 62.100 0.013 0.000 1.140 71 T CB -0.475 68.399 68.868 0.009 0.000 0.870 71 T HN 0.674 nan 8.240 nan 0.000 0.445 72 K N 1.270 121.678 120.400 0.013 0.000 2.103 72 K HA 0.011 4.331 4.320 0.001 0.000 0.207 72 K C 2.119 178.727 176.600 0.013 0.000 1.048 72 K CA 1.537 57.831 56.287 0.012 0.000 0.930 72 K CB -1.181 31.326 32.500 0.011 0.000 0.716 72 K HN 0.550 nan 8.250 nan 0.000 0.444 73 I N -1.023 119.557 120.570 0.015 0.000 2.400 73 I HA 0.148 4.318 4.170 0.001 0.000 0.248 73 I C 1.632 177.760 176.117 0.018 0.000 1.109 73 I CA 0.747 62.057 61.300 0.016 0.000 1.425 73 I CB -0.470 37.541 38.000 0.018 0.000 1.094 73 I HN 0.659 nan 8.210 nan 0.000 0.425 74 G N 0.848 109.660 108.800 0.019 0.000 2.692 74 G HA2 -0.358 3.602 3.960 0.001 0.000 0.248 74 G HA3 -0.358 3.602 3.960 0.001 0.000 0.248 74 G C 0.353 175.265 174.900 0.021 0.000 1.340 74 G CA -0.368 44.743 45.100 0.018 0.000 0.896 74 G HN 1.224 nan 8.290 nan 0.000 0.570 75 C N -2.579 116.731 119.300 0.017 0.000 2.239 75 C HA 0.398 4.859 4.460 0.001 0.000 0.235 75 C C 2.027 177.015 174.990 -0.002 0.000 1.046 75 C CA 0.258 59.287 59.018 0.017 0.000 2.904 75 C CB -2.079 25.680 27.740 0.033 0.000 1.709 75 C HN 3.259 nan 8.230 nan 0.000 0.325 76 G N 1.847 110.623 108.800 -0.039 0.000 2.356 76 G HA2 0.320 4.281 3.960 0.001 0.000 0.296 76 G HA3 0.320 4.281 3.960 0.001 0.000 0.296 76 G C 0.352 175.235 174.900 -0.028 0.000 1.022 76 G CA 0.707 45.729 45.100 -0.130 0.000 0.961 76 G HN 3.009 nan 8.290 nan 0.000 0.510 77 A N -0.578 122.289 122.820 0.078 0.000 2.318 77 A HA 1.003 5.324 4.320 0.001 0.000 0.317 77 A C 0.304 178.000 177.584 0.187 0.000 1.159 77 A CA 0.427 52.538 52.037 0.124 0.000 0.799 77 A CB 1.605 20.638 19.000 0.054 0.000 1.194 77 A HN 2.040 nan 8.150 nan 0.000 0.479 78 A N 1.472 124.469 122.820 0.294 0.000 2.337 78 A HA 0.887 5.207 4.320 0.001 0.000 0.331 78 A C 0.246 177.890 177.584 0.100 0.000 1.137 78 A CA 0.015 52.133 52.037 0.136 0.000 0.807 78 A CB 1.145 20.163 19.000 0.029 0.000 1.250 78 A HN 2.115 nan 8.150 nan 0.000 0.468 79 A N -0.257 122.589 122.820 0.043 0.000 2.294 79 A HA 0.761 5.081 4.320 0.001 0.000 0.330 79 A C -0.296 177.298 177.584 0.017 0.000 1.133 79 A CA -0.141 51.915 52.037 0.032 0.000 0.836 79 A CB 0.750 19.761 19.000 0.018 0.000 1.190 79 A HN 2.350 nan 8.150 nan 0.000 0.492 80 C N 1.634 120.943 119.300 0.015 0.000 3.146 80 C HA 0.614 5.074 4.460 0.001 0.000 0.405 80 C C -0.827 174.165 174.990 0.003 0.000 1.012 80 C CA -0.697 58.324 59.018 0.004 0.000 1.217 80 C CB 0.866 28.610 27.740 0.008 0.000 1.599 80 C HN 1.040 nan 8.230 nan 0.000 0.567 81 R N 3.714 124.212 120.500 -0.004 0.000 2.297 81 R HA 0.763 5.103 4.340 0.001 0.000 0.308 81 R C -1.216 175.078 176.300 -0.009 0.000 1.029 81 R CA -0.058 56.040 56.100 -0.004 0.000 0.929 81 R CB 1.292 31.588 30.300 -0.006 0.000 1.046 81 R HN 0.771 nan 8.270 nan 0.000 0.461 82 V N 2.773 122.683 119.914 -0.006 0.000 2.733 82 V HA 0.176 4.296 4.120 0.001 0.000 0.306 82 V C -0.832 175.257 176.094 -0.007 0.000 1.084 82 V CA -1.152 61.141 62.300 -0.011 0.000 0.905 82 V CB 1.936 33.752 31.823 -0.012 0.000 1.010 82 V HN 0.672 nan 8.190 nan 0.000 0.424 83 D N 2.972 123.366 120.400 -0.011 0.000 2.396 83 D HA 0.305 4.946 4.640 0.001 0.000 0.225 83 D C 1.010 177.304 176.300 -0.010 0.000 1.121 83 D CA -0.323 53.673 54.000 -0.006 0.000 0.853 83 D CB 1.977 42.774 40.800 -0.005 0.000 1.043 83 D HN 0.506 nan 8.370 nan 0.000 0.500 84 V N 2.070 121.980 119.914 -0.006 0.000 3.383 84 V HA -0.093 4.028 4.120 0.001 0.000 0.272 84 V C 1.492 177.583 176.094 -0.005 0.000 1.181 84 V CA 1.456 63.751 62.300 -0.009 0.000 1.171 84 V CB -1.115 30.707 31.823 -0.001 0.000 0.800 84 V HN 0.503 nan 8.190 nan 0.000 0.515 85 S N -0.955 114.745 115.700 -0.000 0.000 2.593 85 S HA 0.066 4.537 4.470 0.001 0.000 0.217 85 S C 0.621 175.222 174.600 0.002 0.000 0.966 85 S CA 0.358 58.562 58.200 0.007 0.000 0.914 85 S CB -0.264 62.941 63.200 0.008 0.000 0.776 85 S HN 0.668 nan 8.310 nan 0.000 0.523 86 D N 1.380 121.773 120.400 -0.012 0.000 2.462 86 D HA 0.250 4.891 4.640 0.001 0.000 0.245 86 D C 0.674 176.948 176.300 -0.043 0.000 1.122 86 D CA -0.418 53.570 54.000 -0.020 0.000 0.864 86 D CB 1.656 42.444 40.800 -0.021 0.000 1.098 86 D HN 0.243 nan 8.370 nan 0.000 0.541 87 E N 2.344 122.517 120.200 -0.046 0.000 2.070 87 E HA -0.298 4.052 4.350 0.001 0.000 0.197 87 E C 1.045 177.562 176.600 -0.139 0.000 1.004 87 E CA 1.435 57.787 56.400 -0.081 0.000 0.805 87 E CB 0.363 30.035 29.700 -0.047 0.000 0.744 87 E HN 0.338 nan 8.360 nan 0.000 0.451 88 Q N 0.362 120.098 119.800 -0.106 0.000 2.181 88 Q HA -0.182 4.159 4.340 0.001 0.000 0.205 88 Q C 1.997 177.927 176.000 -0.116 0.000 0.980 88 Q CA 1.647 57.379 55.803 -0.119 0.000 0.862 88 Q CB -0.046 28.648 28.738 -0.073 0.000 0.905 88 Q HN 0.430 nan 8.270 nan 0.000 0.429 89 Q N -0.752 118.996 119.800 -0.088 0.000 2.123 89 Q HA -0.056 4.284 4.340 0.001 0.000 0.199 89 Q C 2.035 177.984 176.000 -0.085 0.000 0.966 89 Q CA 0.943 56.703 55.803 -0.072 0.000 0.845 89 Q CB -0.013 28.697 28.738 -0.047 0.000 0.907 89 Q HN 0.430 nan 8.270 nan 0.000 0.439 90 I N 0.643 121.151 120.570 -0.103 0.000 2.226 90 I HA -0.285 3.886 4.170 0.001 0.000 0.245 90 I C 2.185 178.204 176.117 -0.163 0.000 1.100 90 I CA 1.055 62.293 61.300 -0.103 0.000 1.374 90 I CB -0.225 37.726 38.000 -0.081 0.000 1.057 90 I HN 0.198 nan 8.210 nan 0.000 0.413 91 I N 0.888 121.280 120.570 -0.297 0.000 2.127 91 I HA -0.337 3.833 4.170 0.001 0.000 0.241 91 I C 2.858 178.875 176.117 -0.167 0.000 1.075 91 I CA 1.527 62.623 61.300 -0.340 0.000 1.334 91 I CB -0.581 37.175 38.000 -0.408 0.000 1.040 91 I HN 0.201 nan 8.210 nan 0.000 0.405 92 A N 0.529 123.273 122.820 -0.127 0.000 1.917 92 A HA -0.304 4.016 4.320 0.001 0.000 0.219 92 A C 2.424 179.971 177.584 -0.061 0.000 1.182 92 A CA 2.253 54.241 52.037 -0.081 0.000 0.633 92 A CB -0.736 18.225 19.000 -0.066 0.000 0.819 92 A HN 0.524 nan 8.150 nan 0.000 0.448 93 M N -0.291 119.274 119.600 -0.057 0.000 2.099 93 M HA -0.123 4.358 4.480 0.001 0.000 0.262 93 M C 1.914 178.205 176.300 -0.015 0.000 1.067 93 M CA 2.171 57.454 55.300 -0.029 0.000 1.124 93 M CB -0.242 32.345 32.600 -0.022 0.000 1.353 93 M HN 0.201 nan 8.290 nan 0.000 0.410 94 V N 1.062 120.961 119.914 -0.025 0.000 2.407 94 V HA -0.280 3.841 4.120 0.001 0.000 0.248 94 V C 1.796 177.887 176.094 -0.005 0.000 1.055 94 V CA 2.107 64.406 62.300 -0.002 0.000 1.049 94 V CB -1.109 30.718 31.823 0.007 0.000 0.662 94 V HN 0.470 nan 8.190 nan 0.000 0.455 95 D N 0.489 120.870 120.400 -0.031 0.000 2.117 95 D HA -0.119 4.521 4.640 0.001 0.000 0.197 95 D C 2.245 178.525 176.300 -0.033 0.000 0.987 95 D CA 1.665 55.645 54.000 -0.032 0.000 0.829 95 D CB -0.402 40.370 40.800 -0.047 0.000 0.961 95 D HN 0.426 nan 8.370 nan 0.000 0.460 96 A N 0.332 123.130 122.820 -0.037 0.000 1.865 96 A HA -0.225 4.096 4.320 0.001 0.000 0.217 96 A C 2.518 180.069 177.584 -0.056 0.000 1.191 96 A CA 1.713 53.718 52.037 -0.053 0.000 0.623 96 A CB -1.284 17.689 19.000 -0.045 0.000 0.826 96 A HN 0.438 nan 8.150 nan 0.000 0.444 97 C N -0.812 118.496 119.300 0.013 0.000 2.401 97 C HA -0.100 4.360 4.460 0.001 0.000 0.276 97 C C 2.672 177.712 174.990 0.083 0.000 1.233 97 C CA 1.515 60.598 59.018 0.109 0.000 1.753 97 C CB -1.337 26.498 27.740 0.159 0.000 2.029 97 C HN 0.418 nan 8.230 nan 0.000 0.478 98 V N 1.152 121.090 119.914 0.040 0.000 2.667 98 V HA -0.038 4.083 4.120 0.001 0.000 0.252 98 V C 2.734 178.821 176.094 -0.012 0.000 1.065 98 V CA 1.790 64.111 62.300 0.035 0.000 1.083 98 V CB -1.118 30.719 31.823 0.024 0.000 0.692 98 V HN 0.688 nan 8.190 nan 0.000 0.468 99 A N 0.200 122.984 122.820 -0.059 0.000 1.872 99 A HA 0.014 4.334 4.320 0.001 0.000 0.214 99 A C 2.410 179.894 177.584 -0.166 0.000 1.187 99 A CA 1.794 53.775 52.037 -0.092 0.000 0.614 99 A CB -0.667 18.275 19.000 -0.096 0.000 0.826 99 A HN 0.510 nan 8.150 nan 0.000 0.442 100 A N -1.424 121.206 122.820 -0.316 0.000 1.872 100 A HA 0.179 4.500 4.320 0.001 0.000 0.214 100 A C 1.545 178.786 177.584 -0.573 0.000 1.187 100 A CA 1.531 53.187 52.037 -0.635 0.000 0.614 100 A CB -0.442 17.839 19.000 -1.198 0.000 0.826 100 A HN 0.496 nan 8.150 nan 0.000 0.442 101 F N -1.838 118.125 119.950 0.023 0.000 2.706 101 F HA 0.420 4.948 4.527 0.001 0.000 0.313 101 F C 1.711 177.545 175.800 0.056 0.000 1.096 101 F CA -0.064 57.978 58.000 0.069 0.000 1.219 101 F CB 0.175 39.235 39.000 0.100 0.000 1.051 101 F HN 0.367 nan 8.300 nan 0.000 0.568 102 G N 0.238 109.127 108.800 0.147 0.000 2.179 102 G HA2 0.093 4.053 3.960 0.001 0.000 0.260 102 G HA3 0.093 4.053 3.960 0.001 0.000 0.260 102 G C 0.529 175.480 174.900 0.085 0.000 0.977 102 G CA 0.098 45.253 45.100 0.092 0.000 0.641 102 G HN 1.045 nan 8.290 nan 0.000 0.533 103 G N -2.596 106.271 108.800 0.111 0.000 2.313 103 G HA2 0.569 4.530 3.960 0.001 0.000 0.296 103 G HA3 0.569 4.530 3.960 0.001 0.000 0.296 103 G C -1.417 173.535 174.900 0.088 0.000 1.356 103 G CA 0.252 45.399 45.100 0.078 0.000 0.833 103 G HN 1.322 nan 8.290 nan 0.000 0.552 104 V N 0.903 120.850 119.914 0.055 0.000 2.444 104 V HA 0.476 4.596 4.120 0.001 0.000 0.294 104 V C -0.301 175.804 176.094 0.018 0.000 1.022 104 V CA -0.565 61.761 62.300 0.043 0.000 0.850 104 V CB 1.678 33.525 31.823 0.040 0.000 0.992 104 V HN 0.791 nan 8.190 nan 0.000 0.426 105 D N 1.947 122.349 120.400 0.003 0.000 2.394 105 D HA 0.145 4.785 4.640 0.001 0.000 0.226 105 D C 0.317 176.606 176.300 -0.018 0.000 0.990 105 D CA 0.574 54.566 54.000 -0.013 0.000 0.902 105 D CB 0.851 41.635 40.800 -0.028 0.000 1.038 105 D HN 0.386 nan 8.370 nan 0.000 0.499 106 K N 0.732 121.120 120.400 -0.019 0.000 2.426 106 K HA 0.536 4.857 4.320 0.001 0.000 0.251 106 K C -1.067 175.527 176.600 -0.010 0.000 0.941 106 K CA -0.901 55.373 56.287 -0.021 0.000 0.808 106 K CB 2.969 35.449 32.500 -0.033 0.000 1.265 106 K HN -0.069 nan 8.250 nan 0.000 0.432 107 L N 0.912 122.130 121.223 -0.008 0.000 2.438 107 L HA 0.453 4.793 4.340 0.001 0.000 0.270 107 L C -1.656 175.214 176.870 0.000 0.000 0.972 107 L CA -0.639 54.202 54.840 0.000 0.000 0.831 107 L CB 2.112 44.173 42.059 0.003 0.000 1.273 107 L HN 0.348 nan 8.230 nan 0.000 0.405 108 V N 4.946 124.862 119.914 0.004 0.000 2.326 108 V HA 0.690 4.811 4.120 0.001 0.000 0.281 108 V C 0.471 176.571 176.094 0.010 0.000 1.015 108 V CA -0.283 62.021 62.300 0.007 0.000 0.823 108 V CB 1.266 33.093 31.823 0.007 0.000 1.009 108 V HN 0.944 nan 8.190 nan 0.000 0.436 109 A N 3.704 126.531 122.820 0.011 0.000 2.798 109 A HA 0.408 4.728 4.320 0.001 0.000 0.316 109 A C 0.775 178.368 177.584 0.015 0.000 1.506 109 A CA -0.138 51.907 52.037 0.013 0.000 1.162 109 A CB -0.512 18.497 19.000 0.015 0.000 1.138 109 A HN 0.855 nan 8.150 nan 0.000 0.532 110 N N 1.563 120.273 118.700 0.017 0.000 2.181 110 N HA 0.208 4.948 4.740 0.001 0.000 0.207 110 N C 0.627 176.153 175.510 0.027 0.000 1.182 110 N CA 0.583 53.645 53.050 0.021 0.000 0.893 110 N CB 0.289 38.789 38.487 0.021 0.000 1.032 110 N HN 0.565 nan 8.380 nan 0.000 0.513 111 A N -0.163 122.671 122.820 0.023 0.000 2.531 111 A HA 0.566 4.886 4.320 0.001 0.000 0.236 111 A C 0.717 178.322 177.584 0.034 0.000 1.062 111 A CA 0.676 52.728 52.037 0.026 0.000 0.760 111 A CB -0.289 18.723 19.000 0.020 0.000 0.995 111 A HN 0.433 nan 8.150 nan 0.000 0.501 112 G N -0.867 107.961 108.800 0.047 0.000 2.495 112 G HA2 0.663 4.623 3.960 0.001 0.000 0.294 112 G HA3 0.663 4.623 3.960 0.001 0.000 0.294 112 G C -1.001 173.950 174.900 0.085 0.000 1.397 112 G CA 0.164 45.305 45.100 0.069 0.000 0.790 112 G HN 2.071 nan 8.290 nan 0.000 0.486 113 V N -2.581 117.408 119.914 0.124 0.000 3.007 113 V HA 0.888 5.008 4.120 0.001 0.000 0.311 113 V C -0.380 175.834 176.094 0.201 0.000 1.120 113 V CA -1.058 61.315 62.300 0.121 0.000 0.980 113 V CB 1.347 33.220 31.823 0.084 0.000 1.033 113 V HN 0.841 nan 8.190 nan 0.000 0.429 114 V N 2.499 122.453 119.914 0.066 0.000 2.716 114 V HA 0.659 4.779 4.120 0.001 0.000 0.304 114 V C -0.441 175.686 176.094 0.054 0.000 1.053 114 V CA -0.152 62.085 62.300 -0.106 0.000 0.984 114 V CB 1.449 33.073 31.823 -0.332 0.000 1.021 114 V HN 1.278 nan 8.190 nan 0.000 0.467 115 H N 3.075 122.113 119.070 -0.054 0.000 2.966 115 H HA 0.617 5.173 4.556 0.001 0.000 0.347 115 H C -1.709 173.614 175.328 -0.008 0.000 1.048 115 H CA -0.632 55.413 56.048 -0.005 0.000 1.295 115 H CB 1.228 31.017 29.762 0.046 0.000 1.744 115 H HN 0.538 nan 8.280 nan 0.000 0.513 116 L N 4.598 125.487 121.223 -0.557 0.000 2.296 116 L HA 0.908 5.248 4.340 0.001 0.000 0.286 116 L C -0.569 176.010 176.870 -0.486 0.000 1.023 116 L CA -0.642 53.966 54.840 -0.387 0.000 0.812 116 L CB 1.503 43.430 42.059 -0.220 0.000 1.223 116 L HN 0.871 nan 8.230 nan 0.000 0.421 117 A N 1.611 124.282 122.820 -0.248 0.000 2.586 117 A HA 0.510 4.830 4.320 0.001 0.000 0.296 117 A C -0.377 177.204 177.584 -0.005 0.000 1.040 117 A CA -0.492 51.479 52.037 -0.110 0.000 0.701 117 A CB 1.377 20.361 19.000 -0.027 0.000 1.277 117 A HN 0.684 nan 8.150 nan 0.000 0.413 118 S N 0.929 116.638 115.700 0.014 0.000 2.576 118 S HA 0.285 4.755 4.470 0.001 0.000 0.272 118 S C 1.115 175.749 174.600 0.057 0.000 1.352 118 S CA 0.251 58.469 58.200 0.031 0.000 1.021 118 S CB 0.481 63.695 63.200 0.024 0.000 0.887 118 S HN 1.634 nan 8.310 nan 0.000 0.542 119 L N 2.032 123.289 121.223 0.057 0.000 2.079 119 L HA 0.000 4.341 4.340 0.001 0.000 0.210 119 L C 2.022 178.923 176.870 0.051 0.000 1.081 119 L CA 1.889 56.769 54.840 0.067 0.000 0.752 119 L CB -0.735 41.355 42.059 0.053 0.000 0.896 119 L HN 0.903 nan 8.230 nan 0.000 0.433 120 I N -5.372 115.220 120.570 0.037 0.000 3.860 120 I HA 0.102 4.272 4.170 0.001 0.000 0.319 120 I C 0.807 176.942 176.117 0.029 0.000 1.279 120 I CA 0.485 61.799 61.300 0.024 0.000 1.220 120 I CB -0.293 37.717 38.000 0.015 0.000 1.027 120 I HN 0.025 nan 8.210 nan 0.000 0.428 121 D N 1.431 121.857 120.400 0.043 0.000 2.367 121 D HA 0.091 4.732 4.640 0.001 0.000 0.207 121 D C 0.546 176.895 176.300 0.082 0.000 1.034 121 D CA 0.410 54.440 54.000 0.050 0.000 0.861 121 D CB 0.408 41.235 40.800 0.044 0.000 0.943 121 D HN 0.213 nan 8.370 nan 0.000 0.515 122 T N 1.456 116.075 114.554 0.109 0.000 2.928 122 T HA 0.183 4.533 4.350 0.001 0.000 0.305 122 T C 0.781 175.549 174.700 0.114 0.000 1.035 122 T CA 0.147 62.352 62.100 0.175 0.000 1.145 122 T CB 0.878 69.882 68.868 0.228 0.000 0.963 122 T HN 0.141 nan 8.240 nan 0.000 0.545 123 T N 0.035 114.658 114.554 0.116 0.000 2.902 123 T HA 0.325 4.676 4.350 0.001 0.000 0.280 123 T C 1.578 176.321 174.700 0.071 0.000 0.992 123 T CA -1.008 61.132 62.100 0.068 0.000 1.015 123 T CB 0.958 69.861 68.868 0.058 0.000 1.044 123 T HN 0.188 nan 8.240 nan 0.000 0.520 124 V N 0.931 120.870 119.914 0.041 0.000 2.407 124 V HA -0.125 3.995 4.120 0.001 0.000 0.248 124 V C 2.817 178.969 176.094 0.097 0.000 1.055 124 V CA 2.101 64.434 62.300 0.056 0.000 1.049 124 V CB -0.977 30.855 31.823 0.015 0.000 0.662 124 V HN 1.044 nan 8.190 nan 0.000 0.455 125 E N 0.159 120.392 120.200 0.055 0.000 2.038 125 E HA -0.279 4.072 4.350 0.001 0.000 0.195 125 E C 1.874 178.479 176.600 0.009 0.000 1.000 125 E CA 1.746 58.166 56.400 0.034 0.000 0.803 125 E CB -0.099 29.613 29.700 0.020 0.000 0.750 125 E HN 0.579 nan 8.360 nan 0.000 0.448 126 D N -0.401 119.979 120.400 -0.033 0.000 2.219 126 D HA -0.123 4.517 4.640 0.001 0.000 0.205 126 D C 1.624 177.837 176.300 -0.145 0.000 0.970 126 D CA 0.486 54.366 54.000 -0.201 0.000 0.851 126 D CB -0.263 40.257 40.800 -0.467 0.000 0.943 126 D HN 0.200 nan 8.370 nan 0.000 0.488 127 F N 1.933 121.812 119.950 -0.119 0.000 2.098 127 F HA -0.155 4.373 4.527 0.001 0.000 0.294 127 F C 1.791 177.568 175.800 -0.040 0.000 1.107 127 F CA 1.254 59.219 58.000 -0.057 0.000 1.234 127 F CB 0.067 39.056 39.000 -0.018 0.000 1.002 127 F HN -0.235 nan 8.300 nan 0.000 0.472 128 D N 0.246 120.731 120.400 0.142 0.000 2.104 128 D HA -0.227 4.413 4.640 0.001 0.000 0.194 128 D C 2.326 178.594 176.300 -0.052 0.000 0.994 128 D CA 1.455 55.486 54.000 0.052 0.000 0.830 128 D CB -0.568 40.289 40.800 0.095 0.000 0.959 128 D HN 0.294 nan 8.370 nan 0.000 0.452 129 R N 0.676 121.146 120.500 -0.050 0.000 2.083 129 R HA -0.126 4.214 4.340 0.001 0.000 0.237 129 R C 2.183 178.431 176.300 -0.086 0.000 1.137 129 R CA 1.265 57.330 56.100 -0.058 0.000 0.951 129 R CB -0.273 29.992 30.300 -0.058 0.000 0.851 129 R HN 0.034 nan 8.270 nan 0.000 0.434 130 V N 0.823 120.652 119.914 -0.141 0.000 2.358 130 V HA -0.213 3.908 4.120 0.001 0.000 0.246 130 V C 2.233 178.225 176.094 -0.169 0.000 1.047 130 V CA 1.397 63.623 62.300 -0.123 0.000 1.035 130 V CB -0.380 31.379 31.823 -0.106 0.000 0.658 130 V HN 0.266 nan 8.190 nan 0.000 0.452 131 I N 0.790 121.182 120.570 -0.297 0.000 2.202 131 I HA -0.178 3.993 4.170 0.001 0.000 0.242 131 I C 2.570 178.619 176.117 -0.113 0.000 1.091 131 I CA 1.646 62.782 61.300 -0.274 0.000 1.368 131 I CB -0.943 36.797 38.000 -0.432 0.000 1.058 131 I HN 0.201 nan 8.210 nan 0.000 0.410 132 A N 0.375 123.151 122.820 -0.073 0.000 1.883 132 A HA -0.211 4.109 4.320 0.001 0.000 0.217 132 A C 2.380 179.969 177.584 0.007 0.000 1.186 132 A CA 2.022 54.056 52.037 -0.004 0.000 0.624 132 A CB -0.938 18.064 19.000 0.003 0.000 0.822 132 A HN 0.408 nan 8.150 nan 0.000 0.444 133 I N -0.594 119.970 120.570 -0.011 0.000 2.193 133 I HA -0.203 3.968 4.170 0.001 0.000 0.240 133 I C 2.258 178.378 176.117 0.005 0.000 1.084 133 I CA 1.343 62.645 61.300 0.002 0.000 1.365 133 I CB -0.498 37.505 38.000 0.005 0.000 1.064 133 I HN 0.293 nan 8.210 nan 0.000 0.410 134 N N 0.748 119.439 118.700 -0.015 0.000 2.092 134 N HA -0.116 4.625 4.740 0.001 0.000 0.189 134 N C 1.648 177.147 175.510 -0.019 0.000 1.040 134 N CA 1.175 54.209 53.050 -0.026 0.000 0.845 134 N CB -0.501 37.942 38.487 -0.073 0.000 1.017 134 N HN 0.139 nan 8.380 nan 0.000 0.426 135 L N 0.949 122.155 121.223 -0.029 0.000 2.084 135 L HA 0.165 4.505 4.340 0.001 0.000 0.202 135 L C 2.241 179.175 176.870 0.106 0.000 1.074 135 L CA 1.378 56.221 54.840 0.005 0.000 0.757 135 L CB -0.539 41.494 42.059 -0.043 0.000 0.918 135 L HN 0.011 nan 8.230 nan 0.000 0.444 136 R N -0.693 119.882 120.500 0.125 0.000 2.096 136 R HA -0.108 4.232 4.340 0.001 0.000 0.235 136 R C 2.073 178.511 176.300 0.229 0.000 1.127 136 R CA 1.296 57.571 56.100 0.292 0.000 0.968 136 R CB -0.616 29.827 30.300 0.238 0.000 0.861 136 R HN 0.560 nan 8.270 nan 0.000 0.440 137 G N -0.078 108.783 108.800 0.101 0.000 2.402 137 G HA2 -0.259 3.701 3.960 0.001 0.000 0.216 137 G HA3 -0.259 3.701 3.960 0.001 0.000 0.216 137 G C 1.500 176.423 174.900 0.039 0.000 1.162 137 G CA 0.696 45.820 45.100 0.041 0.000 0.777 137 G HN 0.454 nan 8.290 nan 0.000 0.539 138 A N 0.237 123.099 122.820 0.069 0.000 1.908 138 A HA -0.112 4.209 4.320 0.001 0.000 0.218 138 A C 2.168 179.818 177.584 0.110 0.000 1.181 138 A CA 1.856 53.934 52.037 0.069 0.000 0.627 138 A CB -0.771 18.266 19.000 0.062 0.000 0.818 138 A HN 0.659 nan 8.150 nan 0.000 0.445 139 W N 0.584 121.873 121.300 -0.019 0.000 2.379 139 W HA -0.073 4.587 4.660 0.000 0.000 0.307 139 W C 1.645 178.152 176.519 -0.020 0.000 1.200 139 W CA 1.548 58.879 57.345 -0.024 0.000 1.297 139 W CB -0.728 28.715 29.460 -0.028 0.000 1.140 139 W HN 0.205 nan 8.180 nan 0.000 0.507 140 L N 0.418 121.318 121.223 -0.539 0.000 2.081 140 L HA -0.315 4.025 4.340 0.001 0.000 0.212 140 L C 2.616 179.303 176.870 -0.306 0.000 1.080 140 L CA 1.724 56.140 54.840 -0.708 0.000 0.754 140 L CB -1.182 40.627 42.059 -0.417 0.000 0.893 140 L HN 0.114 nan 8.230 nan 0.000 0.433 141 C N -0.869 118.345 119.300 -0.143 0.000 2.413 141 C HA -0.188 4.272 4.460 0.001 0.000 0.277 141 C C 2.968 177.920 174.990 -0.063 0.000 1.228 141 C CA 1.512 60.496 59.018 -0.057 0.000 1.731 141 C CB -0.853 26.875 27.740 -0.021 0.000 2.042 141 C HN 0.512 nan 8.230 nan 0.000 0.468 142 T N 0.301 114.814 114.554 -0.068 0.000 2.708 142 T HA -0.220 4.130 4.350 0.001 0.000 0.266 142 T C 1.893 176.526 174.700 -0.110 0.000 1.037 142 T CA 1.767 63.841 62.100 -0.044 0.000 1.146 142 T CB -0.328 68.556 68.868 0.026 0.000 0.865 142 T HN 0.630 nan 8.240 nan 0.000 0.435 143 K N -0.093 120.145 120.400 -0.269 0.000 2.113 143 K HA -0.210 4.110 4.320 0.001 0.000 0.208 143 K C 1.915 178.232 176.600 -0.473 0.000 1.047 143 K CA 1.564 57.603 56.287 -0.413 0.000 0.928 143 K CB -0.073 31.951 32.500 -0.794 0.000 0.716 143 K HN 0.481 nan 8.250 nan 0.000 0.446 144 H N -1.504 117.478 119.070 -0.148 0.000 2.582 144 H HA 0.190 4.746 4.556 0.001 0.000 0.269 144 H C 1.741 177.034 175.328 -0.059 0.000 0.962 144 H CA 0.805 56.794 56.048 -0.100 0.000 1.230 144 H CB 0.543 30.235 29.762 -0.117 0.000 1.445 144 H HN 0.334 nan 8.280 nan 0.000 0.528 145 A N 1.178 124.016 122.820 0.032 0.000 1.903 145 A HA 0.131 4.451 4.320 0.001 0.000 0.213 145 A C 2.587 180.176 177.584 0.008 0.000 1.185 145 A CA 1.128 53.178 52.037 0.022 0.000 0.628 145 A CB -0.595 18.413 19.000 0.014 0.000 0.830 145 A HN 0.323 nan 8.150 nan 0.000 0.446 146 A N 0.719 123.533 122.820 -0.009 0.000 1.873 146 A HA -0.104 4.216 4.320 0.001 0.000 0.218 146 A C 0.201 177.783 177.584 -0.002 0.000 1.193 146 A CA 2.112 54.145 52.037 -0.006 0.000 0.629 146 A CB -1.868 17.127 19.000 -0.010 0.000 0.826 146 A HN 0.427 nan 8.150 nan 0.000 0.447 147 P HA -0.192 nan 4.420 nan 0.000 0.216 147 P C 1.203 178.509 177.300 0.011 0.000 1.150 147 P CA 1.350 64.452 63.100 0.004 0.000 0.843 147 P CB -0.127 31.577 31.700 0.007 0.000 0.787 148 R N -1.032 119.477 120.500 0.017 0.000 2.090 148 R HA 0.067 4.407 4.340 0.001 0.000 0.228 148 R C 2.283 178.592 176.300 0.015 0.000 1.110 148 R CA 1.259 57.370 56.100 0.019 0.000 0.973 148 R CB -1.701 28.615 30.300 0.027 0.000 0.869 148 R HN 0.348 nan 8.270 nan 0.000 0.440 149 M N 0.264 119.870 119.600 0.010 0.000 2.159 149 M HA -0.058 4.422 4.480 0.001 0.000 0.263 149 M C 2.260 178.562 176.300 0.002 0.000 1.063 149 M CA 1.442 56.745 55.300 0.005 0.000 1.110 149 M CB -0.422 32.178 32.600 0.000 0.000 1.374 149 M HN -0.018 nan 8.290 nan 0.000 0.411 150 I N 0.431 121.003 120.570 0.003 0.000 2.151 150 I HA -0.312 3.858 4.170 0.001 0.000 0.243 150 I C 2.115 178.234 176.117 0.003 0.000 1.080 150 I CA 1.613 62.914 61.300 0.002 0.000 1.339 150 I CB -0.509 37.492 38.000 0.003 0.000 1.039 150 I HN 0.342 nan 8.210 nan 0.000 0.409 151 E N 0.359 120.562 120.200 0.006 0.000 2.209 151 E HA -0.196 4.154 4.350 0.001 0.000 0.196 151 E C 2.067 178.671 176.600 0.006 0.000 0.993 151 E CA 0.734 57.138 56.400 0.007 0.000 0.819 151 E CB -0.035 29.671 29.700 0.010 0.000 0.745 151 E HN 0.374 nan 8.360 nan 0.000 0.477 152 R N -0.525 119.978 120.500 0.005 0.000 2.276 152 R HA 0.038 4.379 4.340 0.001 0.000 0.203 152 R C 1.259 177.557 176.300 -0.002 0.000 1.017 152 R CA 0.847 56.948 56.100 0.003 0.000 1.010 152 R CB 0.271 30.572 30.300 0.002 0.000 0.900 152 R HN 0.319 nan 8.270 nan 0.000 0.469 153 G N 0.122 108.920 108.800 -0.003 0.000 2.130 153 G HA2 -0.158 3.802 3.960 0.001 0.000 0.216 153 G HA3 -0.158 3.802 3.960 0.001 0.000 0.216 153 G C 0.358 175.252 174.900 -0.008 0.000 0.999 153 G CA 0.285 45.381 45.100 -0.005 0.000 0.686 153 G HN 0.784 nan 8.290 nan 0.000 0.515 154 G N -2.246 106.549 108.800 -0.008 0.000 2.346 154 G HA2 0.675 4.635 3.960 0.001 0.000 0.294 154 G HA3 0.675 4.635 3.960 0.001 0.000 0.294 154 G C 0.326 175.218 174.900 -0.014 0.000 1.294 154 G CA 1.071 46.164 45.100 -0.012 0.000 0.962 154 G HN 2.508 nan 8.290 nan 0.000 0.508 155 G N -1.878 106.910 108.800 -0.020 0.000 2.321 155 G HA2 0.789 4.750 3.960 0.001 0.000 0.298 155 G HA3 0.789 4.750 3.960 0.001 0.000 0.298 155 G C -0.809 174.074 174.900 -0.029 0.000 1.385 155 G CA 0.958 46.045 45.100 -0.022 0.000 0.856 155 G HN 2.413 nan 8.290 nan 0.000 0.584 156 A N -0.417 122.384 122.820 -0.032 0.000 2.414 156 A HA 0.909 5.229 4.320 0.001 0.000 0.306 156 A C -0.755 176.813 177.584 -0.026 0.000 1.054 156 A CA -0.637 51.378 52.037 -0.037 0.000 0.724 156 A CB 1.238 20.204 19.000 -0.057 0.000 1.267 156 A HN 0.959 nan 8.150 nan 0.000 0.418 157 I N 1.336 121.893 120.570 -0.021 0.000 2.608 157 I HA 0.546 4.717 4.170 0.001 0.000 0.295 157 I C -1.079 175.033 176.117 -0.008 0.000 1.049 157 I CA -1.026 60.268 61.300 -0.010 0.000 1.063 157 I CB 2.347 40.347 38.000 -0.001 0.000 1.248 157 I HN 0.313 nan 8.210 nan 0.000 0.424 158 V N 4.831 124.744 119.914 -0.002 0.000 2.525 158 V HA 0.377 4.497 4.120 0.001 0.000 0.299 158 V C -0.640 175.460 176.094 0.009 0.000 1.034 158 V CA -0.773 61.529 62.300 0.004 0.000 0.863 158 V CB 1.847 33.674 31.823 0.007 0.000 0.999 158 V HN 0.627 nan 8.190 nan 0.000 0.423 159 N N 4.130 122.836 118.700 0.010 0.000 2.437 159 N HA 0.491 5.231 4.740 0.001 0.000 0.259 159 N C -0.743 174.770 175.510 0.005 0.000 0.983 159 N CA -0.439 52.617 53.050 0.009 0.000 0.937 159 N CB 2.244 40.737 38.487 0.011 0.000 1.122 159 N HN 0.472 nan 8.380 nan 0.000 0.499 160 L N 1.419 122.646 121.223 0.006 0.000 2.313 160 L HA 0.180 4.520 4.340 0.001 0.000 0.282 160 L C 1.112 177.975 176.870 -0.011 0.000 1.092 160 L CA 0.510 55.353 54.840 0.005 0.000 0.831 160 L CB 0.831 42.899 42.059 0.015 0.000 1.159 160 L HN 0.504 nan 8.230 nan 0.000 0.442 161 S N 2.089 117.777 115.700 -0.021 0.000 3.362 161 S HA 0.810 5.280 4.470 0.001 0.000 0.235 161 S C -0.459 174.119 174.600 -0.038 0.000 1.026 161 S CA -0.048 58.120 58.200 -0.055 0.000 1.257 161 S CB 1.369 64.532 63.200 -0.060 0.000 1.187 161 S HN 0.595 nan 8.310 nan 0.000 0.660 162 S N -0.794 114.875 115.700 -0.053 0.000 2.565 162 S HA 0.451 4.921 4.470 0.001 0.000 0.269 162 S C 0.031 174.609 174.600 -0.037 0.000 1.153 162 S CA -0.507 57.684 58.200 -0.015 0.000 0.835 162 S CB 1.014 64.271 63.200 0.095 0.000 1.122 162 S HN 0.629 nan 8.310 nan 0.000 0.462 163 L N 3.459 124.644 121.223 -0.063 0.000 2.187 163 L HA 0.167 4.508 4.340 0.001 0.000 0.213 163 L C 2.419 179.270 176.870 -0.032 0.000 1.100 163 L CA 2.633 57.430 54.840 -0.071 0.000 0.765 163 L CB -0.942 41.026 42.059 -0.151 0.000 0.904 163 L HN 0.897 nan 8.230 nan 0.000 0.437 164 A N -1.284 121.540 122.820 0.007 0.000 2.209 164 A HA 0.108 4.428 4.320 0.001 0.000 0.212 164 A C 2.078 179.676 177.584 0.023 0.000 1.158 164 A CA 0.989 53.065 52.037 0.064 0.000 0.742 164 A CB -0.964 18.166 19.000 0.217 0.000 0.790 164 A HN 0.482 nan 8.150 nan 0.000 0.472 165 G N -1.644 107.137 108.800 -0.033 0.000 3.088 165 G HA2 0.170 4.130 3.960 0.001 0.000 0.217 165 G HA3 0.170 4.130 3.960 0.001 0.000 0.217 165 G C 1.167 176.050 174.900 -0.030 0.000 1.159 165 G CA 0.758 45.823 45.100 -0.058 0.000 0.760 165 G HN 0.570 nan 8.290 nan 0.000 0.550 166 Q N -0.765 119.025 119.800 -0.016 0.000 2.342 166 Q HA 0.320 4.661 4.340 0.001 0.000 0.261 166 Q C -0.419 175.585 176.000 0.006 0.000 0.841 166 Q CA 0.313 56.113 55.803 -0.006 0.000 0.969 166 Q CB 1.182 29.915 28.738 -0.007 0.000 1.136 166 Q HN 0.126 nan 8.270 nan 0.000 0.528 167 V N 1.462 121.383 119.914 0.011 0.000 2.709 167 V HA 0.640 4.761 4.120 0.001 0.000 0.308 167 V C -0.601 175.514 176.094 0.034 0.000 1.062 167 V CA -0.893 61.421 62.300 0.024 0.000 0.901 167 V CB 1.533 33.373 31.823 0.029 0.000 1.003 167 V HN 0.270 nan 8.190 nan 0.000 0.425 168 A N 3.773 126.617 122.820 0.040 0.000 2.548 168 A HA 0.506 4.827 4.320 0.001 0.000 0.247 168 A C -0.274 177.344 177.584 0.057 0.000 1.067 168 A CA 0.210 52.276 52.037 0.049 0.000 0.757 168 A CB 0.061 19.088 19.000 0.045 0.000 0.996 168 A HN 0.798 nan 8.150 nan 0.000 0.504 169 V N 3.059 123.013 119.914 0.067 0.000 2.487 169 V HA 0.533 4.654 4.120 0.001 0.000 0.298 169 V C 1.056 177.185 176.094 0.060 0.000 1.028 169 V CA -0.222 62.120 62.300 0.070 0.000 0.860 169 V CB 1.586 33.456 31.823 0.078 0.000 0.991 169 V HN 1.219 nan 8.190 nan 0.000 0.427 170 G N 2.526 111.354 108.800 0.047 0.000 2.353 170 G HA2 0.427 4.387 3.960 0.001 0.000 0.239 170 G HA3 0.427 4.387 3.960 0.001 0.000 0.239 170 G C 1.128 176.040 174.900 0.021 0.000 1.295 170 G CA 0.784 45.904 45.100 0.034 0.000 0.884 170 G HN 1.822 nan 8.290 nan 0.000 0.537 171 G N 1.068 109.880 108.800 0.021 0.000 2.268 171 G HA2 -0.251 3.709 3.960 0.001 0.000 0.240 171 G HA3 -0.251 3.709 3.960 0.001 0.000 0.240 171 G C 1.172 176.079 174.900 0.011 0.000 1.010 171 G CA 1.149 46.247 45.100 -0.002 0.000 0.618 171 G HN 1.928 nan 8.290 nan 0.000 0.516 172 T N -0.651 113.935 114.554 0.053 0.000 3.268 172 T HA 0.559 4.909 4.350 0.001 0.000 0.244 172 T C 1.915 176.725 174.700 0.183 0.000 0.915 172 T CA 0.806 62.978 62.100 0.119 0.000 0.935 172 T CB 0.442 69.400 68.868 0.151 0.000 1.110 172 T HN 1.105 nan 8.240 nan 0.000 0.573 173 G N 1.915 110.808 108.800 0.155 0.000 2.511 173 G HA2 -0.072 3.889 3.960 0.001 0.000 0.216 173 G HA3 -0.072 3.889 3.960 0.001 0.000 0.216 173 G C 1.741 176.762 174.900 0.201 0.000 1.218 173 G CA 0.655 45.853 45.100 0.163 0.000 0.788 173 G HN 0.742 nan 8.290 nan 0.000 0.560 174 A N -0.304 122.670 122.820 0.258 0.000 1.902 174 A HA -0.021 4.299 4.320 0.001 0.000 0.217 174 A C 2.232 179.878 177.584 0.103 0.000 1.181 174 A CA 1.830 53.992 52.037 0.209 0.000 0.623 174 A CB -0.772 18.368 19.000 0.233 0.000 0.818 174 A HN 0.490 nan 8.150 nan 0.000 0.443 175 Y N 0.784 121.121 120.300 0.061 0.000 2.053 175 Y HA -0.159 4.392 4.550 0.001 0.000 0.277 175 Y C 2.543 178.447 175.900 0.007 0.000 1.159 175 Y CA 1.874 59.989 58.100 0.025 0.000 1.125 175 Y CB -0.941 37.544 38.460 0.041 0.000 0.969 175 Y HN 0.224 nan 8.280 nan 0.000 0.492 176 G N -0.040 108.811 108.800 0.086 0.000 2.440 176 G HA2 -0.305 3.655 3.960 0.001 0.000 0.218 176 G HA3 -0.305 3.655 3.960 0.001 0.000 0.218 176 G C 1.685 176.544 174.900 -0.069 0.000 1.154 176 G CA 1.294 46.383 45.100 -0.017 0.000 0.767 176 G HN 0.473 nan 8.290 nan 0.000 0.552 177 M N 1.453 121.048 119.600 -0.009 0.000 2.202 177 M HA -0.118 4.363 4.480 0.001 0.000 0.262 177 M C 2.959 179.210 176.300 -0.082 0.000 1.063 177 M CA 1.767 57.064 55.300 -0.005 0.000 1.097 177 M CB -0.188 32.467 32.600 0.092 0.000 1.382 177 M HN 0.470 nan 8.290 nan 0.000 0.413 178 S N -0.189 115.414 115.700 -0.161 0.000 2.395 178 S HA -0.045 4.426 4.470 0.001 0.000 0.225 178 S C 1.845 176.322 174.600 -0.206 0.000 1.027 178 S CA 0.533 58.616 58.200 -0.196 0.000 0.965 178 S CB -0.145 62.916 63.200 -0.232 0.000 0.812 178 S HN 0.278 nan 8.310 nan 0.000 0.482 179 K N 2.041 122.261 120.400 -0.300 0.000 2.217 179 K HA 0.285 4.606 4.320 0.001 0.000 0.202 179 K C 2.378 178.891 176.600 -0.145 0.000 1.051 179 K CA 1.142 57.268 56.287 -0.268 0.000 0.952 179 K CB -1.135 31.121 32.500 -0.407 0.000 0.736 179 K HN 0.512 nan 8.250 nan 0.000 0.453 180 A N 1.157 123.909 122.820 -0.114 0.000 1.873 180 A HA -0.048 4.272 4.320 0.001 0.000 0.215 180 A C 2.499 180.049 177.584 -0.057 0.000 1.186 180 A CA 1.937 53.934 52.037 -0.065 0.000 0.616 180 A CB -1.183 17.792 19.000 -0.041 0.000 0.823 180 A HN 0.343 nan 8.150 nan 0.000 0.442 181 G N 0.079 108.841 108.800 -0.064 0.000 2.469 181 G HA2 -0.252 3.708 3.960 0.001 0.000 0.220 181 G HA3 -0.252 3.708 3.960 0.001 0.000 0.220 181 G C 1.477 176.348 174.900 -0.048 0.000 1.136 181 G CA 1.270 46.336 45.100 -0.057 0.000 0.759 181 G HN 0.502 nan 8.290 nan 0.000 0.562 182 I N 0.404 120.943 120.570 -0.052 0.000 2.439 182 I HA -0.046 4.124 4.170 0.001 0.000 0.251 182 I C 2.556 178.659 176.117 -0.024 0.000 1.139 182 I CA 0.367 61.648 61.300 -0.032 0.000 1.438 182 I CB -0.108 37.866 38.000 -0.044 0.000 1.085 182 I HN 0.162 nan 8.210 nan 0.000 0.427 183 I N 0.423 120.973 120.570 -0.033 0.000 2.208 183 I HA -0.328 3.842 4.170 0.001 0.000 0.245 183 I C 2.582 178.689 176.117 -0.018 0.000 1.097 183 I CA 1.435 62.721 61.300 -0.023 0.000 1.363 183 I CB -0.304 37.681 38.000 -0.025 0.000 1.051 183 I HN 0.286 nan 8.210 nan 0.000 0.413 184 Q N 0.916 120.702 119.800 -0.024 0.000 2.245 184 Q HA -0.075 4.265 4.340 0.001 0.000 0.201 184 Q C 2.054 178.041 176.000 -0.022 0.000 0.955 184 Q CA 1.067 56.856 55.803 -0.024 0.000 0.870 184 Q CB -0.194 28.524 28.738 -0.033 0.000 0.945 184 Q HN 0.485 nan 8.270 nan 0.000 0.461 185 L N -0.406 120.807 121.223 -0.016 0.000 2.012 185 L HA -0.217 4.124 4.340 0.001 0.000 0.210 185 L C 1.870 178.749 176.870 0.015 0.000 1.073 185 L CA 1.912 56.755 54.840 0.004 0.000 0.748 185 L CB -0.556 41.521 42.059 0.030 0.000 0.891 185 L HN 0.264 nan 8.230 nan 0.000 0.431 186 S N -0.163 115.543 115.700 0.010 0.000 2.359 186 S HA -0.196 4.275 4.470 0.001 0.000 0.224 186 S C 1.840 176.443 174.600 0.005 0.000 1.035 186 S CA 1.364 59.570 58.200 0.010 0.000 1.018 186 S CB -0.242 62.962 63.200 0.006 0.000 0.876 186 S HN 0.458 nan 8.310 nan 0.000 0.448 187 R N 0.654 121.154 120.500 -0.001 0.000 2.083 187 R HA -0.040 4.301 4.340 0.001 0.000 0.237 187 R C 2.273 178.571 176.300 -0.004 0.000 1.137 187 R CA 1.483 57.581 56.100 -0.003 0.000 0.951 187 R CB -0.724 29.572 30.300 -0.007 0.000 0.851 187 R HN 0.411 nan 8.270 nan 0.000 0.434 188 I N 0.590 121.156 120.570 -0.007 0.000 2.286 188 I HA -0.249 3.921 4.170 0.001 0.000 0.248 188 I C 2.152 178.272 176.117 0.005 0.000 1.115 188 I CA 1.384 62.679 61.300 -0.008 0.000 1.392 188 I CB -0.499 37.488 38.000 -0.022 0.000 1.065 188 I HN 0.194 nan 8.210 nan 0.000 0.418 189 T N 0.758 115.321 114.554 0.015 0.000 2.746 189 T HA -0.160 4.191 4.350 0.001 0.000 0.267 189 T C 2.061 176.768 174.700 0.011 0.000 1.039 189 T CA 1.495 63.609 62.100 0.023 0.000 1.142 189 T CB -0.275 68.612 68.868 0.031 0.000 0.866 189 T HN 0.491 nan 8.240 nan 0.000 0.444 190 A N 1.512 124.336 122.820 0.006 0.000 1.873 190 A HA 0.210 4.531 4.320 0.001 0.000 0.215 190 A C 2.654 180.238 177.584 -0.000 0.000 1.186 190 A CA 1.803 53.840 52.037 0.001 0.000 0.616 190 A CB -1.271 17.729 19.000 -0.001 0.000 0.823 190 A HN 0.489 nan 8.150 nan 0.000 0.442 191 A N 0.057 122.876 122.820 -0.001 0.000 1.852 191 A HA -0.281 4.039 4.320 0.001 0.000 0.217 191 A C 1.920 179.504 177.584 -0.000 0.000 1.215 191 A CA 1.991 54.027 52.037 -0.002 0.000 0.641 191 A CB -0.873 18.124 19.000 -0.004 0.000 0.838 191 A HN 0.625 nan 8.150 nan 0.000 0.450 192 E N -0.830 119.371 120.200 0.002 0.000 2.204 192 E HA -0.045 4.305 4.350 0.001 0.000 0.194 192 E C 1.223 177.825 176.600 0.005 0.000 0.989 192 E CA 1.003 57.406 56.400 0.004 0.000 0.824 192 E CB -0.120 29.586 29.700 0.009 0.000 0.756 192 E HN 0.643 nan 8.360 nan 0.000 0.477 193 L N -0.510 120.716 121.223 0.004 0.000 3.016 193 L HA 0.263 4.603 4.340 0.001 0.000 0.267 193 L C 2.004 178.873 176.870 -0.002 0.000 1.182 193 L CA -0.237 54.605 54.840 0.002 0.000 0.997 193 L CB 0.156 42.218 42.059 0.005 0.000 1.354 193 L HN -0.053 nan 8.230 nan 0.000 0.569 194 R N 1.370 121.868 120.500 -0.003 0.000 2.091 194 R HA -0.179 4.161 4.340 0.001 0.000 0.238 194 R C 2.434 178.730 176.300 -0.005 0.000 1.136 194 R CA 2.044 58.141 56.100 -0.005 0.000 0.959 194 R CB -0.009 30.288 30.300 -0.005 0.000 0.856 194 R HN 0.441 nan 8.270 nan 0.000 0.437 195 S N -0.840 114.858 115.700 -0.004 0.000 2.423 195 S HA -0.036 4.435 4.470 0.001 0.000 0.231 195 S C 1.732 176.330 174.600 -0.004 0.000 1.014 195 S CA 1.313 59.511 58.200 -0.003 0.000 0.965 195 S CB 0.105 63.304 63.200 -0.002 0.000 0.785 195 S HN 0.242 nan 8.310 nan 0.000 0.495 196 S N 0.591 116.289 115.700 -0.003 0.000 2.562 196 S HA 0.422 4.892 4.470 0.001 0.000 0.221 196 S C 1.463 176.059 174.600 -0.006 0.000 0.975 196 S CA 0.436 58.634 58.200 -0.003 0.000 0.918 196 S CB -0.089 63.110 63.200 -0.002 0.000 0.772 196 S HN 1.089 nan 8.310 nan 0.000 0.531 197 G N 1.249 110.044 108.800 -0.008 0.000 2.157 197 G HA2 -0.218 3.742 3.960 0.001 0.000 0.239 197 G HA3 -0.218 3.742 3.960 0.001 0.000 0.239 197 G C -0.008 174.883 174.900 -0.015 0.000 0.982 197 G CA -0.333 44.760 45.100 -0.012 0.000 0.650 197 G HN 0.478 nan 8.290 nan 0.000 0.527 198 I N 1.163 121.726 120.570 -0.012 0.000 2.365 198 I HA 0.469 4.640 4.170 0.001 0.000 0.291 198 I C 0.968 177.075 176.117 -0.016 0.000 1.004 198 I CA -0.628 60.664 61.300 -0.013 0.000 1.311 198 I CB 0.990 38.985 38.000 -0.007 0.000 1.401 198 I HN 0.026 nan 8.210 nan 0.000 0.491 199 R N 3.556 124.043 120.500 -0.023 0.000 2.598 199 R HA 0.705 5.045 4.340 0.001 0.000 0.279 199 R C -0.679 175.610 176.300 -0.019 0.000 0.984 199 R CA -0.670 55.416 56.100 -0.025 0.000 0.999 199 R CB 1.942 32.217 30.300 -0.041 0.000 1.114 199 R HN 0.586 nan 8.270 nan 0.000 0.493 200 S N 1.165 116.857 115.700 -0.013 0.000 2.572 200 S HA 0.465 4.935 4.470 0.001 0.000 0.274 200 S C -1.618 172.980 174.600 -0.003 0.000 1.150 200 S CA -0.842 57.355 58.200 -0.006 0.000 0.944 200 S CB 0.927 64.130 63.200 0.004 0.000 1.071 200 S HN 0.624 nan 8.310 nan 0.000 0.479 201 N N 1.686 120.386 118.700 -0.000 0.000 2.277 201 N HA 0.421 5.161 4.740 0.001 0.000 0.286 201 N C -1.459 174.058 175.510 0.011 0.000 1.140 201 N CA -0.521 52.533 53.050 0.007 0.000 0.799 201 N CB 2.266 40.758 38.487 0.009 0.000 1.596 201 N HN 0.543 nan 8.380 nan 0.000 0.473 202 T N 1.124 115.686 114.554 0.012 0.000 2.907 202 T HA 0.467 4.817 4.350 0.001 0.000 0.284 202 T C -0.251 174.459 174.700 0.015 0.000 1.004 202 T CA -0.375 61.730 62.100 0.009 0.000 1.063 202 T CB 1.234 70.102 68.868 -0.000 0.000 0.992 202 T HN 0.240 nan 8.240 nan 0.000 0.483 203 L N 3.314 124.544 121.223 0.013 0.000 2.333 203 L HA 0.598 4.938 4.340 0.001 0.000 0.280 203 L C -1.551 175.320 176.870 0.002 0.000 1.004 203 L CA -0.703 54.146 54.840 0.016 0.000 0.820 203 L CB 1.029 43.102 42.059 0.024 0.000 1.247 203 L HN 0.447 nan 8.230 nan 0.000 0.416 204 L N 8.238 129.459 121.223 -0.003 0.000 2.297 204 L HA 0.537 4.877 4.340 0.001 0.000 0.277 204 L C -2.117 174.737 176.870 -0.027 0.000 1.040 204 L CA -1.360 53.469 54.840 -0.019 0.000 0.867 204 L CB 0.873 42.918 42.059 -0.023 0.000 1.244 204 L HN 0.483 nan 8.230 nan 0.000 0.433 205 P HA 0.286 nan 4.420 nan 0.000 0.277 205 P C -0.249 176.983 177.300 -0.114 0.000 1.240 205 P CA -0.324 62.748 63.100 -0.046 0.000 0.798 205 P CB 2.136 33.824 31.700 -0.021 0.000 0.979 206 A N 2.615 125.331 122.820 -0.174 0.000 2.383 206 A HA 0.369 4.690 4.320 0.001 0.000 0.225 206 A C 0.017 177.289 177.584 -0.520 0.000 1.946 206 A CA 0.629 52.404 52.037 -0.437 0.000 0.739 206 A CB -0.633 18.102 19.000 -0.440 0.000 1.405 206 A HN 0.461 nan 8.150 nan 0.000 0.548 207 F N 0.113 120.053 119.950 -0.017 0.000 2.402 207 F HA 0.591 5.119 4.527 0.001 0.000 0.355 207 F C -0.435 175.351 175.800 -0.024 0.000 1.123 207 F CA -0.787 57.196 58.000 -0.029 0.000 1.021 207 F CB 1.866 40.838 39.000 -0.047 0.000 1.160 207 F HN 0.028 nan 8.300 nan 0.000 0.451 208 V N 1.621 121.622 119.914 0.144 0.000 2.789 208 V HA 0.264 4.384 4.120 0.001 0.000 0.311 208 V C -0.557 175.575 176.094 0.064 0.000 1.073 208 V CA -1.030 61.317 62.300 0.078 0.000 0.921 208 V CB 2.213 34.062 31.823 0.044 0.000 1.009 208 V HN 0.535 nan 8.190 nan 0.000 0.426 209 D N 3.796 124.223 120.400 0.044 0.000 2.541 209 D HA 0.154 4.794 4.640 0.001 0.000 0.231 209 D C 0.364 176.680 176.300 0.025 0.000 1.163 209 D CA 0.290 54.308 54.000 0.030 0.000 1.077 209 D CB 0.131 40.944 40.800 0.022 0.000 1.110 209 D HN 0.855 nan 8.370 nan 0.000 0.499 210 T N -0.050 114.519 114.554 0.026 0.000 2.932 210 T HA 0.507 4.858 4.350 0.001 0.000 0.289 210 T C -1.893 172.817 174.700 0.016 0.000 1.039 210 T CA -1.798 60.314 62.100 0.022 0.000 1.024 210 T CB 2.042 70.924 68.868 0.024 0.000 1.090 210 T HN -0.181 nan 8.240 nan 0.000 0.496 211 P HA -0.024 nan 4.420 nan 0.000 0.218 211 P C 1.698 179.003 177.300 0.008 0.000 1.149 211 P CA 0.806 63.913 63.100 0.012 0.000 0.817 211 P CB -0.016 31.692 31.700 0.013 0.000 0.785 212 M N -0.610 118.995 119.600 0.009 0.000 2.067 212 M HA -0.233 4.247 4.480 0.001 0.000 0.260 212 M C 2.017 178.306 176.300 -0.019 0.000 1.069 212 M CA 1.928 57.229 55.300 0.002 0.000 1.117 212 M CB -0.406 32.203 32.600 0.016 0.000 1.334 212 M HN -0.125 nan 8.290 nan 0.000 0.407 213 Q N -0.688 119.105 119.800 -0.011 0.000 2.245 213 Q HA -0.123 4.217 4.340 0.001 0.000 0.201 213 Q C 2.017 178.001 176.000 -0.026 0.000 0.955 213 Q CA 0.775 56.565 55.803 -0.021 0.000 0.870 213 Q CB -0.021 28.730 28.738 0.022 0.000 0.945 213 Q HN 0.600 nan 8.270 nan 0.000 0.461 214 Q N -0.258 119.535 119.800 -0.013 0.000 2.226 214 Q HA -0.129 4.211 4.340 0.001 0.000 0.204 214 Q C 1.893 177.880 176.000 -0.021 0.000 0.975 214 Q CA 1.743 57.538 55.803 -0.014 0.000 0.866 214 Q CB -0.324 28.417 28.738 0.005 0.000 0.915 214 Q HN 0.546 nan 8.270 nan 0.000 0.440 215 T N -0.977 113.562 114.554 -0.024 0.000 3.160 215 T HA 0.328 4.679 4.350 0.001 0.000 0.257 215 T C 1.448 176.114 174.700 -0.055 0.000 1.147 215 T CA 1.069 63.153 62.100 -0.027 0.000 1.064 215 T CB 0.020 68.878 68.868 -0.018 0.000 0.949 215 T HN 0.238 nan 8.240 nan 0.000 0.526 216 A N -0.080 122.692 122.820 -0.080 0.000 1.997 216 A HA 0.461 4.781 4.320 0.001 0.000 0.198 216 A C 2.071 179.572 177.584 -0.139 0.000 1.449 216 A CA 0.335 52.303 52.037 -0.115 0.000 0.908 216 A CB -0.027 18.886 19.000 -0.146 0.000 0.984 216 A HN 0.359 nan 8.150 nan 0.000 0.487 217 M N 0.576 120.086 119.600 -0.150 0.000 2.539 217 M HA -0.088 4.392 4.480 0.001 0.000 0.261 217 M C 2.102 178.133 176.300 -0.449 0.000 1.069 217 M CA 0.815 55.949 55.300 -0.277 0.000 1.081 217 M CB -0.301 32.155 32.600 -0.239 0.000 1.412 217 M HN 0.513 nan 8.290 nan 0.000 0.482 218 A N 0.409 123.096 122.820 -0.221 0.000 2.104 218 A HA -0.173 4.148 4.320 0.001 0.000 0.223 218 A C 1.431 178.923 177.584 -0.154 0.000 1.164 218 A CA 1.123 53.101 52.037 -0.098 0.000 0.659 218 A CB -0.780 18.221 19.000 0.001 0.000 0.808 218 A HN 0.504 nan 8.150 nan 0.000 0.465 219 M N 0.710 120.162 119.600 -0.246 0.000 3.139 219 M HA 0.082 4.562 4.480 0.001 0.000 0.266 219 M C -1.288 174.802 176.300 -0.350 0.000 1.598 219 M CA 0.438 55.613 55.300 -0.208 0.000 1.645 219 M CB -0.789 31.714 32.600 -0.161 0.000 1.395 219 M HN 0.305 nan 8.290 nan 0.000 0.504 220 F N 0.705 120.637 119.950 -0.031 0.000 2.361 220 F HA 0.353 4.880 4.527 0.001 0.000 0.364 220 F C 0.883 176.669 175.800 -0.023 0.000 1.120 220 F CA -0.516 57.465 58.000 -0.031 0.000 1.102 220 F CB 0.351 39.333 39.000 -0.031 0.000 1.183 220 F HN 0.510 nan 8.300 nan 0.000 0.476 221 D N 2.143 122.614 120.400 0.119 0.000 2.430 221 D HA 0.558 5.198 4.640 0.001 0.000 0.285 221 D C 0.718 177.060 176.300 0.070 0.000 1.210 221 D CA -0.322 53.720 54.000 0.070 0.000 1.080 221 D CB -0.202 40.619 40.800 0.035 0.000 1.134 221 D HN 0.722 nan 8.370 nan 0.000 0.562 222 G N -1.672 107.154 108.800 0.043 0.000 2.343 222 G HA2 0.610 4.571 3.960 0.001 0.000 0.254 222 G HA3 0.610 4.571 3.960 0.001 0.000 0.254 222 G C 0.633 175.553 174.900 0.033 0.000 1.277 222 G CA 1.228 46.347 45.100 0.032 0.000 0.909 222 G HN 2.034 nan 8.290 nan 0.000 0.502 223 A N 0.687 123.523 122.820 0.026 0.000 3.682 223 A HA 0.206 4.526 4.320 0.001 0.000 0.628 223 A C -0.278 177.329 177.584 0.039 0.000 0.718 223 A CA 0.711 52.761 52.037 0.023 0.000 0.282 223 A CB -1.336 17.677 19.000 0.021 0.000 3.621 223 A HN 2.166 nan 8.150 nan 0.000 0.523 228 G N 0.994 109.793 108.800 -0.002 0.000 2.977 228 G HA2 0.607 4.568 3.960 0.001 0.000 0.306 228 G HA3 0.607 4.568 3.960 0.001 0.000 0.306 228 G C 1.277 176.187 174.900 0.016 0.000 0.885 228 G CA 1.177 46.307 45.100 0.049 0.000 1.649 228 G HN 1.307 nan 8.290 nan 0.000 0.514 229 A N 2.531 125.266 122.820 -0.142 0.000 2.640 229 A HA -0.419 3.901 4.320 0.001 0.000 0.338 229 A C 2.375 179.847 177.584 -0.186 0.000 4.514 229 A CA 2.686 54.556 52.037 -0.280 0.000 0.984 229 A CB -1.137 17.532 19.000 -0.552 0.000 0.893 229 A HN 0.693 nan 8.150 nan 0.000 0.482 230 R N -0.060 120.432 120.500 -0.014 0.000 2.073 230 R HA -0.151 4.190 4.340 0.001 0.000 0.234 230 R C 2.523 178.775 176.300 -0.081 0.000 1.134 230 R CA 2.814 58.895 56.100 -0.031 0.000 0.952 230 R CB -0.469 29.860 30.300 0.048 0.000 0.850 230 R HN 0.912 nan 8.270 nan 0.000 0.433 231 S N 0.676 116.344 115.700 -0.052 0.000 2.377 231 S HA -0.162 4.308 4.470 0.001 0.000 0.223 231 S C 2.190 176.729 174.600 -0.101 0.000 1.030 231 S CA 0.993 59.156 58.200 -0.062 0.000 0.970 231 S CB -0.512 62.673 63.200 -0.026 0.000 0.830 231 S HN 0.407 nan 8.310 nan 0.000 0.473 232 M N 1.388 120.914 119.600 -0.124 0.000 2.108 232 M HA -0.132 4.349 4.480 0.001 0.000 0.257 232 M C 1.983 178.130 176.300 -0.255 0.000 1.071 232 M CA 1.852 57.055 55.300 -0.163 0.000 1.093 232 M CB -0.464 32.019 32.600 -0.194 0.000 1.345 232 M HN 0.377 nan 8.290 nan 0.000 0.403 233 I N -0.009 120.336 120.570 -0.376 0.000 2.353 233 I HA -0.178 3.992 4.170 0.001 0.000 0.248 233 I C 2.644 178.620 176.117 -0.235 0.000 1.119 233 I CA 0.847 61.883 61.300 -0.440 0.000 1.417 233 I CB -0.607 37.065 38.000 -0.547 0.000 1.078 233 I HN 0.365 nan 8.210 nan 0.000 0.421 234 A N 1.026 123.734 122.820 -0.186 0.000 1.877 234 A HA -0.257 4.063 4.320 0.001 0.000 0.216 234 A C 2.425 179.888 177.584 -0.201 0.000 1.186 234 A CA 1.846 53.791 52.037 -0.155 0.000 0.620 234 A CB -0.642 18.295 19.000 -0.105 0.000 0.822 234 A HN 0.319 nan 8.150 nan 0.000 0.443 235 R N -1.009 119.386 120.500 -0.176 0.000 2.075 235 R HA -0.134 4.206 4.340 0.001 0.000 0.230 235 R C 1.978 178.031 176.300 -0.411 0.000 1.140 235 R CA 1.782 57.775 56.100 -0.179 0.000 0.928 235 R CB -0.440 29.827 30.300 -0.056 0.000 0.834 235 R HN 0.372 nan 8.270 nan 0.000 0.429 236 L N 0.719 121.750 121.223 -0.320 0.000 1.976 236 L HA -0.135 4.205 4.340 0.001 0.000 0.209 236 L C 2.454 178.970 176.870 -0.590 0.000 1.071 236 L CA 1.906 56.498 54.840 -0.414 0.000 0.746 236 L CB -1.018 41.037 42.059 -0.007 0.000 0.890 236 L HN 0.382 nan 8.230 nan 0.000 0.432 237 Q N -2.178 117.453 119.800 -0.282 0.000 2.384 237 Q HA 0.169 4.509 4.340 0.001 0.000 0.207 237 Q C 1.354 177.223 176.000 -0.217 0.000 0.904 237 Q CA 0.695 56.398 55.803 -0.166 0.000 0.933 237 Q CB 0.490 29.273 28.738 0.075 0.000 1.077 237 Q HN 0.535 nan 8.270 nan 0.000 0.522 238 G N 1.534 110.165 108.800 -0.281 0.000 2.527 238 G HA2 -0.320 3.640 3.960 0.001 0.000 0.218 238 G HA3 -0.320 3.640 3.960 0.001 0.000 0.218 238 G C 0.152 174.976 174.900 -0.127 0.000 1.177 238 G CA 0.173 45.144 45.100 -0.215 0.000 0.695 238 G HN 0.494 nan 8.290 nan 0.000 0.517 239 R N -1.472 118.972 120.500 -0.092 0.000 2.728 239 R HA 0.683 5.023 4.340 0.001 0.000 0.274 239 R C -0.533 175.748 176.300 -0.032 0.000 1.032 239 R CA -0.677 55.388 56.100 -0.060 0.000 0.866 239 R CB 0.400 30.675 30.300 -0.042 0.000 1.263 239 R HN 0.539 nan 8.270 nan 0.000 0.475 240 M N 1.843 121.429 119.600 -0.023 0.000 2.245 240 M HA 0.396 4.876 4.480 0.001 0.000 0.344 240 M C -0.531 175.781 176.300 0.020 0.000 1.170 240 M CA 0.441 55.745 55.300 0.008 0.000 1.135 240 M CB 1.161 33.760 32.600 -0.002 0.000 1.574 240 M HN 0.740 nan 8.290 nan 0.000 0.452 241 A N 3.850 126.696 122.820 0.043 0.000 2.304 241 A HA 0.815 5.135 4.320 0.001 0.000 0.301 241 A C -0.427 177.173 177.584 0.027 0.000 1.132 241 A CA -0.415 51.641 52.037 0.031 0.000 0.819 241 A CB 0.269 19.290 19.000 0.036 0.000 1.094 241 A HN 1.070 nan 8.150 nan 0.000 0.492 242 A N 2.458 125.289 122.820 0.018 0.000 2.286 242 A HA 0.659 4.980 4.320 0.001 0.000 0.286 242 A C -1.760 175.835 177.584 0.018 0.000 1.097 242 A CA -1.558 50.489 52.037 0.017 0.000 0.821 242 A CB 0.070 19.077 19.000 0.012 0.000 1.076 242 A HN 0.536 nan 8.150 nan 0.000 0.490 243 P HA -0.162 nan 4.420 nan 0.000 0.216 243 P C 1.003 178.313 177.300 0.017 0.000 1.150 243 P CA 1.441 64.552 63.100 0.019 0.000 0.837 243 P CB 0.173 31.883 31.700 0.018 0.000 0.786 244 E N 0.331 120.540 120.200 0.015 0.000 2.268 244 E HA -0.183 4.167 4.350 0.001 0.000 0.195 244 E C 1.630 178.239 176.600 0.014 0.000 0.995 244 E CA 1.059 57.467 56.400 0.014 0.000 0.836 244 E CB -0.932 28.775 29.700 0.012 0.000 0.763 244 E HN 0.435 nan 8.360 nan 0.000 0.491 245 E N 0.251 120.459 120.200 0.012 0.000 2.072 245 E HA -0.075 4.276 4.350 0.001 0.000 0.191 245 E C 2.019 178.626 176.600 0.013 0.000 0.985 245 E CA 0.904 57.310 56.400 0.010 0.000 0.801 245 E CB -0.051 29.653 29.700 0.007 0.000 0.750 245 E HN 0.164 nan 8.360 nan 0.000 0.452 246 M N 0.264 119.874 119.600 0.017 0.000 2.175 246 M HA -0.042 4.438 4.480 0.001 0.000 0.264 246 M C 2.420 178.737 176.300 0.027 0.000 1.063 246 M CA 0.970 56.282 55.300 0.021 0.000 1.119 246 M CB -1.049 31.563 32.600 0.019 0.000 1.377 246 M HN 0.080 nan 8.290 nan 0.000 0.415 247 A N 0.390 123.225 122.820 0.025 0.000 1.908 247 A HA -0.064 4.256 4.320 0.001 0.000 0.218 247 A C 2.407 180.013 177.584 0.036 0.000 1.181 247 A CA 2.073 54.126 52.037 0.027 0.000 0.627 247 A CB -1.424 17.589 19.000 0.021 0.000 0.818 247 A HN 0.524 nan 8.150 nan 0.000 0.445 248 G N -0.660 108.162 108.800 0.036 0.000 2.511 248 G HA2 0.018 3.978 3.960 0.001 0.000 0.217 248 G HA3 0.018 3.978 3.960 0.001 0.000 0.217 248 G C 1.418 176.366 174.900 0.080 0.000 1.133 248 G CA 0.889 46.017 45.100 0.047 0.000 0.792 248 G HN 0.504 nan 8.290 nan 0.000 0.539 249 I N 0.248 120.861 120.570 0.072 0.000 2.277 249 I HA -0.070 4.101 4.170 0.001 0.000 0.243 249 I C 2.656 178.866 176.117 0.156 0.000 1.094 249 I CA 0.224 61.593 61.300 0.115 0.000 1.393 249 I CB -0.329 37.712 38.000 0.067 0.000 1.078 249 I HN -0.041 nan 8.210 nan 0.000 0.417 250 V N 0.981 120.948 119.914 0.089 0.000 2.324 250 V HA -0.263 3.858 4.120 0.001 0.000 0.250 250 V C 2.515 178.644 176.094 0.057 0.000 1.060 250 V CA 1.774 64.112 62.300 0.063 0.000 1.042 250 V CB -0.547 31.298 31.823 0.037 0.000 0.650 250 V HN 0.252 nan 8.190 nan 0.000 0.450 251 V N -0.534 119.419 119.914 0.066 0.000 2.343 251 V HA -0.263 3.857 4.120 0.001 0.000 0.247 251 V C 2.143 178.278 176.094 0.067 0.000 1.051 251 V CA 2.387 64.717 62.300 0.050 0.000 1.036 251 V CB -0.821 31.030 31.823 0.047 0.000 0.654 251 V HN 0.588 nan 8.190 nan 0.000 0.451 252 F N 0.751 120.698 119.950 -0.006 0.000 2.069 252 F HA -0.220 4.306 4.527 -0.000 0.000 0.298 252 F C 2.054 177.851 175.800 -0.005 0.000 1.113 252 F CA 1.816 59.813 58.000 -0.005 0.000 1.214 252 F CB -0.394 38.604 39.000 -0.003 0.000 0.978 252 F HN 0.031 nan 8.300 nan 0.000 0.474 253 L N -0.058 121.111 121.223 -0.090 0.000 2.191 253 L HA -0.212 4.129 4.340 0.001 0.000 0.212 253 L C 2.179 178.929 176.870 -0.200 0.000 1.103 253 L CA 0.958 55.682 54.840 -0.193 0.000 0.769 253 L CB -0.563 41.505 42.059 0.015 0.000 0.908 253 L HN 0.289 nan 8.230 nan 0.000 0.438 254 L N -1.196 119.946 121.223 -0.135 0.000 2.509 254 L HA 0.047 4.387 4.340 0.001 0.000 0.222 254 L C 1.472 178.261 176.870 -0.134 0.000 1.123 254 L CA -0.230 54.545 54.840 -0.108 0.000 0.856 254 L CB -0.099 41.925 42.059 -0.059 0.000 0.985 254 L HN 0.242 nan 8.230 nan 0.000 0.456 255 S N -1.784 113.802 115.700 -0.191 0.000 2.652 255 S HA 0.112 4.583 4.470 0.001 0.000 0.270 255 S C 0.684 175.167 174.600 -0.194 0.000 1.243 255 S CA -0.697 57.406 58.200 -0.161 0.000 0.999 255 S CB 1.220 64.346 63.200 -0.125 0.000 0.973 255 S HN 0.034 nan 8.310 nan 0.000 0.544 256 D N 0.598 120.925 120.400 -0.123 0.000 2.309 256 D HA -0.039 4.601 4.640 0.001 0.000 0.212 256 D C 0.909 177.142 176.300 -0.113 0.000 0.968 256 D CA 0.880 54.819 54.000 -0.102 0.000 0.882 256 D CB -0.325 40.439 40.800 -0.060 0.000 0.918 256 D HN 0.570 nan 8.370 nan 0.000 0.503 257 D N 0.095 120.414 120.400 -0.134 0.000 2.264 257 D HA -0.049 4.591 4.640 0.001 0.000 0.208 257 D C 1.279 177.443 176.300 -0.227 0.000 0.966 257 D CA 0.533 54.478 54.000 -0.092 0.000 0.864 257 D CB -0.056 40.777 40.800 0.055 0.000 0.933 257 D HN 0.136 nan 8.370 nan 0.000 0.499 258 A N 0.441 122.973 122.820 -0.481 0.000 2.476 258 A HA 0.140 4.460 4.320 0.001 0.000 0.263 258 A C 1.921 179.387 177.584 -0.196 0.000 1.342 258 A CA 0.246 52.015 52.037 -0.447 0.000 0.926 258 A CB -0.365 18.229 19.000 -0.676 0.000 1.019 258 A HN 0.125 nan 8.150 nan 0.000 0.515 259 S N -0.412 115.212 115.700 -0.127 0.000 2.383 259 S HA -0.119 4.351 4.470 0.001 0.000 0.229 259 S C 1.378 175.949 174.600 -0.048 0.000 1.030 259 S CA 1.169 59.324 58.200 -0.075 0.000 1.002 259 S CB -0.308 62.862 63.200 -0.050 0.000 0.829 259 S HN 0.389 nan 8.310 nan 0.000 0.467 260 M N 1.284 120.866 119.600 -0.031 0.000 2.551 260 M HA 0.479 4.959 4.480 0.001 0.000 0.252 260 M C -0.531 175.769 176.300 -0.002 0.000 1.219 260 M CA 0.056 55.350 55.300 -0.009 0.000 0.978 260 M CB -0.576 32.028 32.600 0.006 0.000 1.533 260 M HN 0.325 nan 8.290 nan 0.000 0.474 261 I N -0.325 120.234 120.570 -0.018 0.000 2.382 261 I HA 0.351 4.521 4.170 0.001 0.000 0.286 261 I C -0.001 176.106 176.117 -0.017 0.000 1.002 261 I CA -0.288 61.011 61.300 -0.002 0.000 1.135 261 I CB 1.940 39.946 38.000 0.011 0.000 1.288 261 I HN -0.081 nan 8.210 nan 0.000 0.448 262 T N 3.182 117.734 114.554 -0.004 0.000 2.885 262 T HA 0.509 4.860 4.350 0.001 0.000 0.322 262 T C 0.396 175.097 174.700 0.001 0.000 1.387 262 T CA 0.338 62.434 62.100 -0.007 0.000 1.041 262 T CB 1.532 70.392 68.868 -0.013 0.000 1.287 262 T HN 0.968 nan 8.240 nan 0.000 0.491 263 G N 2.336 111.137 108.800 0.001 0.000 2.203 263 G HA2 -0.228 3.732 3.960 0.001 0.000 0.263 263 G HA3 -0.228 3.732 3.960 0.001 0.000 0.263 263 G C 0.280 175.183 174.900 0.006 0.000 1.012 263 G CA 1.189 46.290 45.100 0.002 0.000 0.749 263 G HN 1.439 nan 8.290 nan 0.000 0.512 264 T N -2.827 111.733 114.554 0.011 0.000 2.944 264 T HA 0.681 5.032 4.350 0.001 0.000 0.284 264 T C 0.014 174.724 174.700 0.016 0.000 1.010 264 T CA 0.150 62.259 62.100 0.016 0.000 1.025 264 T CB 2.296 71.181 68.868 0.028 0.000 1.079 264 T HN 0.255 nan 8.240 nan 0.000 0.516 265 T N 2.582 117.145 114.554 0.016 0.000 2.801 265 T HA 0.345 4.695 4.350 0.001 0.000 0.306 265 T C -0.424 174.289 174.700 0.021 0.000 1.020 265 T CA -0.388 61.720 62.100 0.013 0.000 0.948 265 T CB 1.025 69.897 68.868 0.005 0.000 0.962 265 T HN 0.693 nan 8.240 nan 0.000 0.465 266 Q N 4.476 124.292 119.800 0.028 0.000 2.337 266 Q HA 0.267 4.607 4.340 0.001 0.000 0.255 266 Q C -0.534 175.479 176.000 0.021 0.000 0.997 266 Q CA -0.380 55.444 55.803 0.036 0.000 0.925 266 Q CB 0.087 28.861 28.738 0.060 0.000 1.212 266 Q HN 0.497 nan 8.270 nan 0.000 0.436 267 I N 3.863 124.443 120.570 0.017 0.000 2.291 267 I HA 0.279 4.449 4.170 0.001 0.000 0.292 267 I C 0.031 176.153 176.117 0.008 0.000 1.064 267 I CA -0.266 61.039 61.300 0.009 0.000 1.269 267 I CB 0.246 38.254 38.000 0.014 0.000 1.418 267 I HN 0.734 nan 8.210 nan 0.000 0.485 268 A N 5.468 128.288 122.820 0.000 0.000 3.264 268 A HA 0.300 4.621 4.320 0.001 0.000 0.299 268 A C 0.563 178.143 177.584 -0.007 0.000 1.272 268 A CA -0.465 51.572 52.037 -0.001 0.000 1.030 268 A CB -0.569 18.432 19.000 0.001 0.000 1.102 268 A HN 0.684 nan 8.150 nan 0.000 0.615 269 D N -1.072 119.327 120.400 -0.001 0.000 2.462 269 D HA 0.213 4.854 4.640 0.001 0.000 0.221 269 D C 1.020 177.330 176.300 0.016 0.000 1.173 269 D CA 0.278 54.273 54.000 -0.007 0.000 0.831 269 D CB -0.435 40.356 40.800 -0.015 0.000 1.001 269 D HN 0.668 nan 8.370 nan 0.000 0.499 270 G N 0.057 108.869 108.800 0.019 0.000 2.233 270 G HA2 -0.126 3.834 3.960 0.001 0.000 0.270 270 G HA3 -0.126 3.834 3.960 0.001 0.000 0.270 270 G C 1.186 176.112 174.900 0.044 0.000 1.011 270 G CA 0.686 45.795 45.100 0.016 0.000 0.762 270 G HN 1.443 nan 8.290 nan 0.000 0.511 271 G N -2.934 105.932 108.800 0.111 0.000 2.238 271 G HA2 -0.167 3.793 3.960 0.001 0.000 0.217 271 G HA3 -0.167 3.793 3.960 0.001 0.000 0.217 271 G C 1.389 176.528 174.900 0.397 0.000 0.996 271 G CA 1.187 46.447 45.100 0.267 0.000 0.632 271 G HN 1.400 nan 8.290 nan 0.000 0.503 272 T N 1.471 116.151 114.554 0.210 0.000 2.624 272 T HA -0.255 4.096 4.350 0.001 0.000 0.266 272 T C 2.314 177.244 174.700 0.383 0.000 1.050 272 T CA 2.191 64.435 62.100 0.241 0.000 1.163 272 T CB -0.362 68.571 68.868 0.107 0.000 0.861 272 T HN 1.181 nan 8.240 nan 0.000 0.443 273 I N -0.997 119.707 120.570 0.224 0.000 3.793 273 I HA 0.512 4.682 4.170 0.001 0.000 0.315 273 I C 2.104 178.290 176.117 0.114 0.000 1.275 273 I CA 0.142 61.535 61.300 0.155 0.000 1.214 273 I CB -0.251 37.800 38.000 0.084 0.000 1.018 273 I HN 0.090 nan 8.210 nan 0.000 0.439 274 A N 1.236 124.147 122.820 0.152 0.000 2.208 274 A HA 0.686 5.006 4.320 0.001 0.000 0.209 274 A C 1.118 178.666 177.584 -0.059 0.000 1.161 274 A CA 0.673 52.749 52.037 0.065 0.000 0.782 274 A CB -0.279 18.784 19.000 0.104 0.000 0.816 274 A HN 0.635 nan 8.150 nan 0.000 0.477 275 A N -1.131 121.587 122.820 -0.171 0.000 2.612 275 A HA 0.605 4.926 4.320 0.001 0.000 0.293 275 A C -1.029 176.208 177.584 -0.580 0.000 1.075 275 A CA -0.593 51.128 52.037 -0.527 0.000 0.680 275 A CB 0.442 18.813 19.000 -1.047 0.000 1.279 275 A HN 0.199 nan 8.150 nan 0.000 0.411 276 L N 1.874 122.821 121.223 -0.459 0.000 2.312 276 L HA 0.240 4.580 4.340 0.001 0.000 0.287 276 L C -0.542 176.151 176.870 -0.295 0.000 1.091 276 L CA 0.021 54.703 54.840 -0.262 0.000 0.846 276 L CB -0.187 41.789 42.059 -0.139 0.000 1.219 276 L HN 0.771 nan 8.230 nan 0.000 0.439 277 W N 0.000 121.313 121.300 0.021 0.000 2.388 277 W HA 0.000 4.660 4.660 0.000 0.000 0.303 277 W CA 0.000 57.358 57.345 0.021 0.000 1.226 277 W CB 0.000 29.477 29.460 0.029 0.000 1.126 277 W HN 0.000 nan 8.180 nan 0.000 0.535