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 1fsu_1_A DATA FIRST_RESID 42 DATA SEQUENCE SRPPHLVFLL ADDLGWNDVG FHGSRIRTPH LDALAAGGVL LDNYYTQPLX DATA SEQUENCE TPSRSQLLTG RYQIRTGLQH QIIWPcQPSc VPLDEKLLPQ LLKEAGYTTH DATA SEQUENCE MVGKWHLGMY RKEcLPTRRG FDTYFGYLLG SEDYYSHERc TLIDALNVTR DATA SEQUENCE cALDFRDGEE VATGYKNMYS TNIFTKRAIA LITNHPPEKP LFLYLALQSV DATA SEQUENCE HEPLQVPEEY LKPYDFIQDK NRHHYAGMVS LMDEAVGNVT AALKSSGLWN DATA SEQUENCE NTVFIFSTDN GGQTLAGGNN WPLRGRKWSL WEGGVRGVGF VASPLLKQKG DATA SEQUENCE VKNRELIHIS DWLPTLVKLA RGHTNGTKPL DGFDVWKTIS EGSPSPRIEL DATA SEQUENCE LHNIDPNFVD SSPcXXXXXX XXXXXXXXXX XSAFNTSVHA AIRHGNWKLL DATA SEQUENCE TGYPGcGYWF PPPSQYNVSE IPSSDPPTKT LWLFDIDRDP EERHDLSREY DATA SEQUENCE PHIVTKLLSR LQFYHKHSVP VYFPAQDPRc DPKATGVWGP WM 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 42 S HA 0.000 nan 4.470 nan 0.000 0.327 42 S C 0.000 174.579 174.600 -0.035 0.000 1.055 42 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 42 S CB 0.000 63.188 63.200 -0.020 0.000 0.593 43 R N 0.520 120.986 120.500 -0.057 0.000 2.720 43 R HA 0.590 4.929 4.340 -0.001 0.000 0.272 43 R C -2.752 173.481 176.300 -0.112 0.000 0.991 43 R CA -2.148 53.901 56.100 -0.085 0.000 1.010 43 R CB 0.427 30.662 30.300 -0.109 0.000 1.141 43 R HN 0.296 nan 8.270 nan 0.000 0.494 44 P HA 0.049 nan 4.420 nan 0.000 0.267 44 P C -2.410 174.792 177.300 -0.164 0.000 1.200 44 P CA -0.863 62.192 63.100 -0.074 0.000 0.772 44 P CB 0.085 31.804 31.700 0.031 0.000 0.855 45 P HA 0.083 nan 4.420 nan 0.000 0.274 45 P C -0.499 176.743 177.300 -0.097 0.000 1.246 45 P CA 0.159 63.163 63.100 -0.159 0.000 0.795 45 P CB 0.363 31.986 31.700 -0.128 0.000 1.006 46 H N 0.862 119.969 119.070 0.062 0.000 2.646 46 H HA 0.255 4.811 4.556 0.000 0.000 0.325 46 H C -0.107 175.328 175.328 0.178 0.000 1.075 46 H CA 0.082 56.207 56.048 0.128 0.000 1.421 46 H CB 0.184 29.990 29.762 0.073 0.000 1.461 46 H HN 0.265 nan 8.280 nan 0.000 0.525 47 L N 3.800 125.277 121.223 0.423 0.000 2.298 47 L HA 0.312 4.651 4.340 -0.001 0.000 0.284 47 L C -0.287 176.824 176.870 0.402 0.000 1.013 47 L CA -0.756 54.288 54.840 0.340 0.000 0.824 47 L CB 1.448 43.673 42.059 0.277 0.000 1.221 47 L HN 0.209 nan 8.230 nan 0.000 0.418 48 V N 3.731 123.797 119.914 0.253 0.000 2.378 48 V HA 0.354 4.473 4.120 -0.001 0.000 0.288 48 V C -0.799 175.287 176.094 -0.014 0.000 1.016 48 V CA -0.422 61.986 62.300 0.180 0.000 0.840 48 V CB 1.776 33.772 31.823 0.287 0.000 0.994 48 V HN 0.417 nan 8.190 nan 0.000 0.431 49 F N 6.576 126.468 119.950 -0.098 0.000 2.375 49 F HA 0.628 5.154 4.527 -0.002 0.000 0.361 49 F C -0.566 175.115 175.800 -0.197 0.000 1.117 49 F CA -0.999 56.872 58.000 -0.215 0.000 1.037 49 F CB 1.468 40.429 39.000 -0.064 0.000 1.192 49 F HN 0.365 nan 8.300 nan 0.000 0.452 50 L N 8.111 129.057 121.223 -0.461 0.000 2.262 50 L HA 0.475 4.814 4.340 -0.001 0.000 0.288 50 L C -1.624 175.056 176.870 -0.317 0.000 1.035 50 L CA -0.853 53.842 54.840 -0.243 0.000 0.820 50 L CB 0.704 42.680 42.059 -0.139 0.000 1.204 50 L HN 0.591 nan 8.230 nan 0.000 0.424 51 L N 5.674 126.869 121.223 -0.046 0.000 2.262 51 L HA 0.724 5.064 4.340 -0.001 0.000 0.288 51 L C 0.100 176.900 176.870 -0.118 0.000 1.035 51 L CA -0.041 54.783 54.840 -0.026 0.000 0.820 51 L CB 1.078 43.280 42.059 0.237 0.000 1.204 51 L HN 0.779 nan 8.230 nan 0.000 0.424 52 A N 3.372 126.047 122.820 -0.243 0.000 2.322 52 A HA 0.438 4.757 4.320 -0.001 0.000 0.269 52 A C -0.532 177.085 177.584 0.055 0.000 1.094 52 A CA -0.506 51.499 52.037 -0.053 0.000 0.807 52 A CB 0.308 19.290 19.000 -0.029 0.000 1.047 52 A HN 0.684 nan 8.150 nan 0.000 0.487 53 D N 1.033 121.519 120.400 0.143 0.000 2.329 53 D HA 0.374 5.013 4.640 -0.001 0.000 0.232 53 D C -0.708 175.737 176.300 0.242 0.000 1.088 53 D CA 0.383 54.504 54.000 0.201 0.000 0.835 53 D CB 0.597 41.547 40.800 0.250 0.000 1.078 53 D HN 0.489 nan 8.370 nan 0.000 0.495 54 D N 1.641 122.166 120.400 0.208 0.000 2.981 54 D HA -0.216 4.423 4.640 -0.001 0.000 0.223 54 D C -0.132 176.324 176.300 0.260 0.000 1.151 54 D CA 0.249 54.366 54.000 0.195 0.000 0.827 54 D CB -1.356 39.527 40.800 0.138 0.000 1.101 54 D HN 0.303 nan 8.370 nan 0.000 0.426 55 L N 0.864 122.244 121.223 0.261 0.000 2.369 55 L HA 0.503 4.843 4.340 -0.001 0.000 0.279 55 L C 1.147 178.197 176.870 0.300 0.000 1.108 55 L CA 0.218 55.243 54.840 0.308 0.000 0.852 55 L CB 0.781 43.013 42.059 0.288 0.000 1.169 55 L HN 0.094 nan 8.230 nan 0.000 0.452 56 G N 4.220 113.211 108.800 0.318 0.000 2.507 56 G HA2 0.005 3.965 3.960 -0.001 0.000 0.271 56 G HA3 0.005 3.965 3.960 -0.001 0.000 0.271 56 G C 0.533 175.651 174.900 0.364 0.000 1.189 56 G CA -0.363 44.922 45.100 0.308 0.000 0.859 56 G HN 0.944 nan 8.290 nan 0.000 0.542 57 W N 1.119 122.549 121.300 0.216 0.000 2.325 57 W HA -0.134 4.524 4.660 -0.002 0.000 0.299 57 W C 1.092 177.795 176.519 0.307 0.000 1.215 57 W CA 1.380 58.885 57.345 0.266 0.000 1.244 57 W CB 0.242 29.796 29.460 0.158 0.000 1.140 57 W HN 0.557 nan 8.180 nan 0.000 0.523 58 N N 0.890 119.814 118.700 0.372 0.000 2.376 58 N HA 0.004 4.743 4.740 -0.001 0.000 0.249 58 N C -0.371 175.257 175.510 0.195 0.000 1.140 58 N CA 0.408 53.623 53.050 0.274 0.000 0.870 58 N CB -0.393 38.320 38.487 0.377 0.000 1.124 58 N HN -0.110 nan 8.380 nan 0.000 0.505 59 D N -0.451 120.036 120.400 0.146 0.000 2.431 59 D HA 0.096 4.736 4.640 -0.001 0.000 0.213 59 D C -0.149 176.150 176.300 -0.002 0.000 1.130 59 D CA 0.175 54.266 54.000 0.151 0.000 0.834 59 D CB 0.787 41.770 40.800 0.306 0.000 0.985 59 D HN 0.165 nan 8.370 nan 0.000 0.504 60 V N -2.580 117.220 119.914 -0.189 0.000 2.656 60 V HA 0.746 4.865 4.120 -0.001 0.000 0.307 60 V C 1.516 177.376 176.094 -0.389 0.000 1.051 60 V CA -0.754 61.292 62.300 -0.423 0.000 0.893 60 V CB 1.539 32.733 31.823 -1.049 0.000 0.999 60 V HN -0.031 nan 8.190 nan 0.000 0.426 61 G N 3.124 111.801 108.800 -0.205 0.000 2.475 61 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.220 61 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.220 61 G C 0.854 175.734 174.900 -0.034 0.000 1.125 61 G CA 1.504 46.568 45.100 -0.059 0.000 0.755 61 G HN 1.210 nan 8.290 nan 0.000 0.565 62 F N -1.334 118.562 119.950 -0.090 0.000 2.816 62 F HA 0.343 4.869 4.527 -0.001 0.000 0.302 62 F C 1.451 177.248 175.800 -0.004 0.000 1.178 62 F CA 0.032 57.976 58.000 -0.094 0.000 1.421 62 F CB -0.554 38.341 39.000 -0.174 0.000 1.114 62 F HN 0.294 nan 8.300 nan 0.000 0.573 63 H N -0.459 118.495 119.070 -0.193 0.000 2.785 63 H HA 0.355 4.910 4.556 -0.002 0.000 0.268 63 H C 1.396 176.718 175.328 -0.010 0.000 1.153 63 H CA -0.118 55.835 56.048 -0.159 0.000 1.111 63 H CB 0.630 30.106 29.762 -0.476 0.000 1.633 63 H HN 0.397 nan 8.280 nan 0.000 0.576 64 G N 1.532 110.411 108.800 0.132 0.000 2.132 64 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.228 64 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.228 64 G C 0.218 175.206 174.900 0.147 0.000 1.000 64 G CA 0.459 45.644 45.100 0.143 0.000 0.693 64 G HN 0.369 nan 8.290 nan 0.000 0.515 65 S N -0.886 114.879 115.700 0.108 0.000 2.580 65 S HA 0.487 4.957 4.470 -0.001 0.000 0.274 65 S C 1.606 176.293 174.600 0.146 0.000 1.329 65 S CA -0.219 58.059 58.200 0.129 0.000 1.036 65 S CB 0.728 63.976 63.200 0.080 0.000 0.919 65 S HN 0.376 nan 8.310 nan 0.000 0.515 66 R N 2.186 122.803 120.500 0.195 0.000 2.313 66 R HA 0.239 4.578 4.340 -0.001 0.000 0.199 66 R C -0.095 176.422 176.300 0.361 0.000 0.958 66 R CA 0.218 56.477 56.100 0.265 0.000 1.047 66 R CB -0.125 30.387 30.300 0.353 0.000 0.955 66 R HN 0.611 nan 8.270 nan 0.000 0.481 67 I N 1.834 122.546 120.570 0.237 0.000 2.395 67 I HA 0.105 4.274 4.170 -0.001 0.000 0.289 67 I C 0.238 176.492 176.117 0.229 0.000 1.023 67 I CA -0.275 61.148 61.300 0.206 0.000 1.350 67 I CB 1.063 39.083 38.000 0.034 0.000 1.409 67 I HN -0.152 nan 8.210 nan 0.000 0.507 68 R N 4.061 124.769 120.500 0.346 0.000 2.216 68 R HA 0.245 4.585 4.340 -0.001 0.000 0.332 68 R C -0.105 176.280 176.300 0.142 0.000 1.056 68 R CA -0.178 56.046 56.100 0.206 0.000 0.901 68 R CB 0.438 30.849 30.300 0.185 0.000 1.039 68 R HN 0.651 nan 8.270 nan 0.000 0.456 69 T N 0.217 114.814 114.554 0.072 0.000 3.466 69 T HA 0.243 4.592 4.350 -0.001 0.000 0.297 69 T C -2.235 172.475 174.700 0.016 0.000 1.640 69 T CA -1.987 60.144 62.100 0.053 0.000 1.631 69 T CB 1.166 70.046 68.868 0.021 0.000 0.928 69 T HN 0.175 nan 8.240 nan 0.000 0.688 70 P HA -0.186 nan 4.420 nan 0.000 0.215 70 P C 1.058 178.223 177.300 -0.224 0.000 1.163 70 P CA 1.615 64.608 63.100 -0.178 0.000 0.894 70 P CB 0.004 31.511 31.700 -0.323 0.000 0.791 71 H N -1.598 117.451 119.070 -0.035 0.000 2.357 71 H HA -0.013 4.542 4.556 -0.002 0.000 0.301 71 H C 1.974 177.241 175.328 -0.101 0.000 1.082 71 H CA 0.902 56.907 56.048 -0.073 0.000 1.342 71 H CB -0.875 28.850 29.762 -0.062 0.000 1.389 71 H HN 0.039 nan 8.280 nan 0.000 0.511 72 L N 0.280 121.527 121.223 0.041 0.000 2.056 72 L HA -0.168 4.171 4.340 -0.001 0.000 0.207 72 L C 1.756 178.535 176.870 -0.152 0.000 1.078 72 L CA 0.989 55.812 54.840 -0.028 0.000 0.749 72 L CB -0.204 41.886 42.059 0.051 0.000 0.901 72 L HN 0.297 nan 8.230 nan 0.000 0.433 73 D N 0.366 120.761 120.400 -0.008 0.000 2.117 73 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 73 D C 2.231 178.404 176.300 -0.212 0.000 0.987 73 D CA 1.550 55.533 54.000 -0.027 0.000 0.829 73 D CB -0.076 40.744 40.800 0.033 0.000 0.961 73 D HN 0.302 nan 8.370 nan 0.000 0.460 74 A N 0.532 123.246 122.820 -0.177 0.000 1.873 74 A HA -0.096 4.223 4.320 -0.001 0.000 0.215 74 A C 2.384 179.834 177.584 -0.223 0.000 1.186 74 A CA 0.881 52.815 52.037 -0.172 0.000 0.616 74 A CB -0.787 18.134 19.000 -0.132 0.000 0.823 74 A HN 0.198 nan 8.150 nan 0.000 0.442 75 L N -0.838 120.217 121.223 -0.280 0.000 2.093 75 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 75 L C 3.061 179.596 176.870 -0.558 0.000 1.085 75 L CA 1.007 55.674 54.840 -0.290 0.000 0.755 75 L CB -0.467 41.490 42.059 -0.169 0.000 0.904 75 L HN 0.446 nan 8.230 nan 0.000 0.435 76 A N -0.097 122.117 122.820 -1.011 0.000 1.897 76 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 76 A C 2.523 179.784 177.584 -0.539 0.000 1.181 76 A CA 1.448 52.822 52.037 -1.105 0.000 0.620 76 A CB -0.642 17.404 19.000 -1.589 0.000 0.821 76 A HN 0.368 nan 8.150 nan 0.000 0.443 77 A N -0.613 121.965 122.820 -0.404 0.000 1.972 77 A HA 0.136 4.455 4.320 -0.001 0.000 0.219 77 A C 2.164 179.665 177.584 -0.139 0.000 1.169 77 A CA 1.756 53.659 52.037 -0.225 0.000 0.635 77 A CB -1.003 17.899 19.000 -0.163 0.000 0.810 77 A HN 0.788 nan 8.150 nan 0.000 0.446 78 G N -1.747 106.982 108.800 -0.119 0.000 3.042 78 G HA2 0.427 4.386 3.960 -0.001 0.000 0.212 78 G HA3 0.427 4.386 3.960 -0.001 0.000 0.212 78 G C 0.656 175.562 174.900 0.011 0.000 1.166 78 G CA 0.877 45.959 45.100 -0.032 0.000 0.767 78 G HN 0.785 nan 8.290 nan 0.000 0.546 79 G N -0.706 108.079 108.800 -0.025 0.000 3.302 79 G HA2 0.472 4.431 3.960 -0.001 0.000 0.170 79 G HA3 0.472 4.431 3.960 -0.001 0.000 0.170 79 G C -1.318 173.589 174.900 0.011 0.000 1.119 79 G CA -0.235 44.891 45.100 0.043 0.000 0.826 79 G HN 0.170 nan 8.290 nan 0.000 0.646 80 V N 0.960 120.909 119.914 0.059 0.000 2.407 80 V HA 0.415 4.534 4.120 -0.001 0.000 0.291 80 V C -0.849 175.294 176.094 0.081 0.000 1.018 80 V CA -0.544 61.782 62.300 0.043 0.000 0.842 80 V CB 1.311 33.155 31.823 0.035 0.000 0.996 80 V HN 0.533 nan 8.190 nan 0.000 0.426 81 L N 6.792 128.029 121.223 0.023 0.000 2.281 81 L HA 0.450 4.790 4.340 -0.001 0.000 0.285 81 L C -0.193 176.762 176.870 0.140 0.000 1.074 81 L CA 0.257 55.122 54.840 0.043 0.000 0.817 81 L CB 0.708 42.729 42.059 -0.063 0.000 1.168 81 L HN 0.538 nan 8.230 nan 0.000 0.434 82 L N 5.635 126.982 121.223 0.206 0.000 2.334 82 L HA 0.202 4.541 4.340 -0.001 0.000 0.286 82 L C 0.532 177.619 176.870 0.363 0.000 1.108 82 L CA -0.157 54.826 54.840 0.238 0.000 0.875 82 L CB 0.242 42.394 42.059 0.155 0.000 1.246 82 L HN 0.636 nan 8.230 nan 0.000 0.439 83 D N 1.759 122.354 120.400 0.323 0.000 2.348 83 D HA -0.073 4.566 4.640 -0.001 0.000 0.211 83 D C 0.961 177.453 176.300 0.320 0.000 0.998 83 D CA 0.790 55.029 54.000 0.398 0.000 0.873 83 D CB 0.437 41.417 40.800 0.301 0.000 0.925 83 D HN 0.495 nan 8.370 nan 0.000 0.524 84 N N -0.307 118.547 118.700 0.257 0.000 2.599 84 N HA 0.014 4.753 4.740 -0.001 0.000 0.309 84 N C -1.337 174.322 175.510 0.249 0.000 1.743 84 N CA -0.389 52.785 53.050 0.207 0.000 0.918 84 N CB 0.285 38.897 38.487 0.208 0.000 1.339 84 N HN 0.007 nan 8.380 nan 0.000 0.493 85 Y N 0.973 121.276 120.300 0.005 0.000 2.360 85 Y HA 0.414 4.963 4.550 -0.002 0.000 0.337 85 Y C -1.540 174.242 175.900 -0.197 0.000 1.039 85 Y CA -0.458 57.680 58.100 0.064 0.000 1.109 85 Y CB 0.578 39.155 38.460 0.196 0.000 1.201 85 Y HN 0.022 nan 8.280 nan 0.000 0.458 86 Y N 2.821 122.874 120.300 -0.413 0.000 2.499 86 Y HA 0.567 5.116 4.550 -0.002 0.000 0.347 86 Y C 0.321 175.976 175.900 -0.407 0.000 0.987 86 Y CA -0.630 57.323 58.100 -0.245 0.000 1.044 86 Y CB 2.324 40.871 38.460 0.145 0.000 1.245 86 Y HN 0.718 nan 8.280 nan 0.000 0.461 87 T N -1.815 112.705 114.554 -0.056 0.000 2.724 87 T HA 0.527 4.876 4.350 -0.001 0.000 0.274 87 T C -0.618 174.158 174.700 0.126 0.000 0.984 87 T CA -1.052 61.012 62.100 -0.060 0.000 1.024 87 T CB 1.599 70.460 68.868 -0.012 0.000 1.320 87 T HN 0.376 nan 8.240 nan 0.000 0.555 88 Q N 0.941 120.788 119.800 0.079 0.000 2.199 88 Q HA 0.364 4.703 4.340 -0.001 0.000 0.232 88 Q C -1.789 174.223 176.000 0.020 0.000 0.969 88 Q CA -2.535 53.312 55.803 0.073 0.000 0.925 88 Q CB 0.981 29.738 28.738 0.031 0.000 1.198 88 Q HN 0.501 nan 8.270 nan 0.000 0.494 89 P HA 0.057 nan 4.420 nan 0.000 0.241 89 P C -0.041 177.186 177.300 -0.122 0.000 1.191 89 P CA 0.805 63.882 63.100 -0.038 0.000 0.771 89 P CB 0.669 32.351 31.700 -0.029 0.000 0.929 93 P HA -0.041 nan 4.420 nan 0.000 0.214 93 P C 1.562 178.809 177.300 -0.089 0.000 1.163 93 P CA 1.597 64.619 63.100 -0.131 0.000 0.889 93 P CB -0.055 31.574 31.700 -0.119 0.000 0.790 94 S N -0.791 114.860 115.700 -0.082 0.000 2.368 94 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 94 S C 1.865 176.424 174.600 -0.068 0.000 1.030 94 S CA 1.269 59.441 58.200 -0.047 0.000 0.999 94 S CB -0.659 62.534 63.200 -0.012 0.000 0.844 94 S HN 0.167 nan 8.310 nan 0.000 0.459 95 R N 1.332 121.769 120.500 -0.105 0.000 2.115 95 R HA -0.034 4.305 4.340 -0.001 0.000 0.230 95 R C 2.743 178.926 176.300 -0.195 0.000 1.111 95 R CA 1.467 57.485 56.100 -0.137 0.000 0.976 95 R CB -0.425 29.780 30.300 -0.157 0.000 0.870 95 R HN 0.536 nan 8.270 nan 0.000 0.445 96 S N 0.822 116.407 115.700 -0.193 0.000 2.371 96 S HA -0.144 4.326 4.470 -0.001 0.000 0.224 96 S C 1.940 176.471 174.600 -0.114 0.000 1.029 96 S CA 0.665 58.759 58.200 -0.177 0.000 0.978 96 S CB -0.127 62.983 63.200 -0.150 0.000 0.833 96 S HN 0.294 nan 8.310 nan 0.000 0.466 97 Q N 0.291 120.049 119.800 -0.070 0.000 2.167 97 Q HA 0.042 4.381 4.340 -0.001 0.000 0.202 97 Q C 2.199 178.163 176.000 -0.060 0.000 0.970 97 Q CA 1.067 56.855 55.803 -0.024 0.000 0.855 97 Q CB -0.386 28.383 28.738 0.053 0.000 0.911 97 Q HN 0.541 nan 8.270 nan 0.000 0.438 98 L N 0.470 121.637 121.223 -0.094 0.000 2.027 98 L HA -0.124 4.215 4.340 -0.001 0.000 0.206 98 L C 1.858 178.613 176.870 -0.192 0.000 1.074 98 L CA 1.699 56.461 54.840 -0.131 0.000 0.745 98 L CB -0.372 41.554 42.059 -0.222 0.000 0.898 98 L HN 0.136 nan 8.230 nan 0.000 0.433 99 L N -1.046 120.053 121.223 -0.207 0.000 2.418 99 L HA -0.004 4.335 4.340 -0.001 0.000 0.218 99 L C 2.027 178.808 176.870 -0.148 0.000 1.125 99 L CA 1.157 55.880 54.840 -0.195 0.000 0.835 99 L CB -0.747 41.209 42.059 -0.172 0.000 0.953 99 L HN 0.513 nan 8.230 nan 0.000 0.454 100 T N -5.060 109.419 114.554 -0.125 0.000 2.990 100 T HA 0.180 4.529 4.350 -0.001 0.000 0.249 100 T C 1.499 176.134 174.700 -0.108 0.000 1.039 100 T CA 0.542 62.578 62.100 -0.107 0.000 1.036 100 T CB 0.635 69.451 68.868 -0.086 0.000 0.994 100 T HN 0.312 nan 8.240 nan 0.000 0.489 101 G N 2.061 110.801 108.800 -0.100 0.000 2.179 101 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.257 101 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.257 101 G C -0.031 174.780 174.900 -0.148 0.000 1.010 101 G CA 0.190 45.226 45.100 -0.107 0.000 0.736 101 G HN 0.753 nan 8.290 nan 0.000 0.513 102 R N -1.200 119.233 120.500 -0.112 0.000 2.686 102 R HA 0.502 4.841 4.340 -0.001 0.000 0.283 102 R C -0.405 175.896 176.300 0.001 0.000 0.978 102 R CA -1.089 54.929 56.100 -0.138 0.000 0.897 102 R CB 1.204 31.444 30.300 -0.100 0.000 1.192 102 R HN 0.092 nan 8.270 nan 0.000 0.457 103 Y N 1.769 122.056 120.300 -0.022 0.000 2.607 103 Y HA -0.106 4.445 4.550 0.000 0.000 0.348 103 Y C 1.779 177.669 175.900 -0.016 0.000 1.261 103 Y CA -0.044 58.043 58.100 -0.022 0.000 1.480 103 Y CB 0.391 38.815 38.460 -0.061 0.000 1.358 103 Y HN 0.601 nan 8.280 nan 0.000 0.630 104 Q N 1.120 121.014 119.800 0.158 0.000 2.291 104 Q HA -0.089 4.250 4.340 -0.001 0.000 0.205 104 Q C 1.763 177.817 176.000 0.090 0.000 0.970 104 Q CA 1.444 57.298 55.803 0.085 0.000 0.876 104 Q CB -0.254 28.514 28.738 0.050 0.000 0.935 104 Q HN 0.814 nan 8.270 nan 0.000 0.455 105 I N -2.768 117.862 120.570 0.101 0.000 3.176 105 I HA -0.053 4.116 4.170 -0.001 0.000 0.275 105 I C 1.500 177.673 176.117 0.093 0.000 1.298 105 I CA 0.669 62.025 61.300 0.094 0.000 1.445 105 I CB 0.111 38.165 38.000 0.090 0.000 1.075 105 I HN -0.092 nan 8.210 nan 0.000 0.482 106 R N 1.018 121.577 120.500 0.098 0.000 2.225 106 R HA 0.098 4.437 4.340 -0.001 0.000 0.194 106 R C 2.086 178.409 176.300 0.039 0.000 0.957 106 R CA 1.440 57.576 56.100 0.061 0.000 1.042 106 R CB -0.505 29.822 30.300 0.046 0.000 1.004 106 R HN 0.575 nan 8.270 nan 0.000 0.509 107 T N -3.920 110.663 114.554 0.048 0.000 3.069 107 T HA 0.259 4.608 4.350 -0.001 0.000 0.252 107 T C 1.276 176.016 174.700 0.066 0.000 1.053 107 T CA 0.321 62.444 62.100 0.038 0.000 0.964 107 T CB 0.670 69.551 68.868 0.021 0.000 1.005 107 T HN 0.270 nan 8.240 nan 0.000 0.532 108 G N 1.700 110.552 108.800 0.087 0.000 2.148 108 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.254 108 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.254 108 G C 0.320 175.322 174.900 0.169 0.000 0.981 108 G CA 0.363 45.545 45.100 0.137 0.000 0.670 108 G HN 0.604 nan 8.290 nan 0.000 0.528 109 L N -0.124 121.170 121.223 0.118 0.000 3.034 109 L HA 0.280 4.620 4.340 -0.001 0.000 0.245 109 L C 2.037 178.959 176.870 0.086 0.000 1.295 109 L CA -0.230 54.672 54.840 0.103 0.000 1.068 109 L CB 0.439 42.518 42.059 0.033 0.000 1.426 109 L HN 0.138 nan 8.230 nan 0.000 0.531 110 Q N -1.121 118.751 119.800 0.119 0.000 2.119 110 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 110 Q C 0.669 176.754 176.000 0.141 0.000 0.972 110 Q CA 1.107 56.980 55.803 0.116 0.000 0.847 110 Q CB -0.109 28.709 28.738 0.134 0.000 0.903 110 Q HN 0.356 nan 8.270 nan 0.000 0.433 111 H N 1.105 120.182 119.070 0.012 0.000 2.604 111 H HA 0.129 4.684 4.556 -0.002 0.000 0.306 111 H C 0.060 175.306 175.328 -0.136 0.000 1.075 111 H CA -0.026 55.957 56.048 -0.108 0.000 1.357 111 H CB -0.072 29.509 29.762 -0.301 0.000 1.426 111 H HN 0.215 nan 8.280 nan 0.000 0.470 112 Q N 1.020 120.530 119.800 -0.484 0.000 1.932 112 Q HA -0.328 4.011 4.340 -0.001 0.000 0.407 112 Q C 0.130 175.948 176.000 -0.302 0.000 0.787 112 Q CA 2.308 57.857 55.803 -0.424 0.000 0.852 112 Q CB -0.889 27.671 28.738 -0.297 0.000 3.472 112 Q HN 0.764 nan 8.270 nan 0.000 0.793 113 I N -3.059 117.353 120.570 -0.264 0.000 3.516 113 I HA 0.633 4.802 4.170 -0.001 0.000 0.302 113 I C -0.635 175.295 176.117 -0.312 0.000 1.143 113 I CA -1.245 59.801 61.300 -0.423 0.000 1.003 113 I CB 1.422 39.020 38.000 -0.671 0.000 1.347 113 I HN 0.433 nan 8.210 nan 0.000 0.486 114 I N 1.905 122.233 120.570 -0.402 0.000 2.297 114 I HA 0.226 4.395 4.170 -0.001 0.000 0.291 114 I C -1.015 175.019 176.117 -0.139 0.000 1.033 114 I CA -0.050 61.138 61.300 -0.188 0.000 1.253 114 I CB 0.451 38.370 38.000 -0.137 0.000 1.396 114 I HN 0.441 nan 8.210 nan 0.000 0.476 115 W N 7.929 129.245 121.300 0.026 0.000 2.215 115 W HA 0.296 4.956 4.660 -0.001 0.000 0.342 115 W C -1.334 175.183 176.519 -0.003 0.000 1.237 115 W CA -1.275 56.088 57.345 0.031 0.000 1.283 115 W CB -0.315 29.141 29.460 -0.006 0.000 1.131 115 W HN 0.356 nan 8.180 nan 0.000 0.606 116 P HA -0.270 nan 4.420 nan 0.000 0.219 116 P C 0.802 178.178 177.300 0.126 0.000 1.161 116 P CA 2.127 65.202 63.100 -0.042 0.000 0.909 116 P CB 0.026 31.481 31.700 -0.409 0.000 0.793 117 c N -1.804 116.870 118.600 0.124 0.000 2.625 117 c HA 0.168 4.737 4.570 -0.001 0.000 0.285 117 c C 0.960 175.188 174.090 0.231 0.000 1.279 117 c CA -0.289 56.122 56.329 0.136 0.000 1.698 117 c CB -1.843 40.670 42.510 0.005 0.000 1.821 117 c HN 0.305 nan 8.230 nan 0.000 0.600 118 Q N 1.635 121.554 119.800 0.198 0.000 2.288 118 Q HA 0.170 4.509 4.340 -0.001 0.000 0.258 118 Q C -2.276 173.734 176.000 0.016 0.000 0.957 118 Q CA -1.246 54.580 55.803 0.038 0.000 0.919 118 Q CB 1.060 29.736 28.738 -0.103 0.000 1.185 118 Q HN 0.192 nan 8.270 nan 0.000 0.408 119 P HA 0.001 nan 4.420 nan 0.000 0.226 119 P C -1.157 175.636 177.300 -0.845 0.000 1.783 119 P CA 0.181 62.767 63.100 -0.857 0.000 0.980 119 P CB -0.004 31.324 31.700 -0.620 0.000 1.967 120 S N -0.378 115.115 115.700 -0.344 0.000 2.564 120 S HA 0.807 5.276 4.470 -0.001 0.000 0.274 120 S C -0.658 174.035 174.600 0.156 0.000 1.124 120 S CA -0.526 57.691 58.200 0.029 0.000 0.869 120 S CB 1.029 64.252 63.200 0.040 0.000 1.105 120 S HN 0.201 nan 8.310 nan 0.000 0.472 121 c N 0.571 119.297 118.600 0.210 0.000 3.340 121 c HA 0.674 5.243 4.570 -0.001 0.000 0.333 121 c C -0.111 174.029 174.090 0.082 0.000 1.464 121 c CA -0.820 55.593 56.329 0.139 0.000 1.337 121 c CB 1.146 43.767 42.510 0.184 0.000 1.740 121 c HN 0.873 nan 8.230 nan 0.000 0.450 122 V N 2.959 122.881 119.914 0.014 0.000 2.529 122 V HA 0.147 4.266 4.120 -0.001 0.000 0.292 122 V C -2.013 174.095 176.094 0.023 0.000 1.028 122 V CA -0.296 61.997 62.300 -0.012 0.000 1.074 122 V CB 0.248 32.030 31.823 -0.068 0.000 0.958 122 V HN 0.719 nan 8.190 nan 0.000 0.481 123 P HA -0.033 nan 4.420 nan 0.000 0.263 123 P C 0.920 178.220 177.300 0.001 0.000 1.168 123 P CA 0.409 63.513 63.100 0.006 0.000 0.759 123 P CB 0.336 32.030 31.700 -0.010 0.000 0.782 124 L N 2.214 123.436 121.223 -0.001 0.000 2.456 124 L HA -0.133 4.206 4.340 -0.001 0.000 0.224 124 L C 1.467 178.325 176.870 -0.020 0.000 1.148 124 L CA 1.177 56.012 54.840 -0.008 0.000 0.825 124 L CB -0.646 41.402 42.059 -0.018 0.000 0.937 124 L HN 0.465 nan 8.230 nan 0.000 0.450 125 D N -1.437 118.949 120.400 -0.024 0.000 2.339 125 D HA -0.038 4.601 4.640 -0.001 0.000 0.217 125 D C 0.464 176.744 176.300 -0.033 0.000 1.050 125 D CA 0.082 54.064 54.000 -0.029 0.000 0.856 125 D CB 0.001 40.783 40.800 -0.030 0.000 0.922 125 D HN 0.136 nan 8.370 nan 0.000 0.518 126 E N 0.939 121.121 120.200 -0.031 0.000 2.249 126 E HA 0.204 4.553 4.350 -0.001 0.000 0.280 126 E C -0.410 176.163 176.600 -0.046 0.000 1.016 126 E CA -0.405 55.971 56.400 -0.040 0.000 0.830 126 E CB 1.989 31.666 29.700 -0.039 0.000 1.081 126 E HN 0.150 nan 8.360 nan 0.000 0.395 127 K N 3.887 124.251 120.400 -0.060 0.000 2.253 127 K HA 0.297 4.616 4.320 -0.001 0.000 0.277 127 K C -0.266 176.279 176.600 -0.092 0.000 1.053 127 K CA -0.412 55.832 56.287 -0.072 0.000 0.892 127 K CB 0.472 32.927 32.500 -0.075 0.000 1.102 127 K HN 0.376 nan 8.250 nan 0.000 0.469 128 L N 4.988 126.154 121.223 -0.096 0.000 2.418 128 L HA 0.086 4.425 4.340 -0.001 0.000 0.265 128 L C 1.678 178.434 176.870 -0.190 0.000 1.143 128 L CA -0.540 54.227 54.840 -0.122 0.000 0.809 128 L CB 0.454 42.466 42.059 -0.078 0.000 1.124 128 L HN 0.701 nan 8.230 nan 0.000 0.456 129 L N 4.718 125.808 121.223 -0.223 0.000 1.997 129 L HA -0.131 4.208 4.340 -0.001 0.000 0.216 129 L C -0.636 175.984 176.870 -0.416 0.000 1.074 129 L CA 2.313 56.966 54.840 -0.311 0.000 0.763 129 L CB -1.453 40.409 42.059 -0.328 0.000 0.890 129 L HN 0.507 nan 8.230 nan 0.000 0.434 130 P HA -0.218 nan 4.420 nan 0.000 0.219 130 P C 1.369 178.458 177.300 -0.351 0.000 1.146 130 P CA 1.648 64.457 63.100 -0.484 0.000 0.808 130 P CB -0.089 31.020 31.700 -0.986 0.000 0.779 131 Q N -0.353 119.274 119.800 -0.288 0.000 2.079 131 Q HA -0.062 4.277 4.340 -0.001 0.000 0.200 131 Q C 2.512 178.408 176.000 -0.174 0.000 0.974 131 Q CA 1.109 56.797 55.803 -0.191 0.000 0.840 131 Q CB -0.555 28.095 28.738 -0.146 0.000 0.898 131 Q HN 0.284 nan 8.270 nan 0.000 0.430 132 L N 0.196 121.293 121.223 -0.210 0.000 2.093 132 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 132 L C 2.224 178.947 176.870 -0.245 0.000 1.085 132 L CA 0.843 55.563 54.840 -0.199 0.000 0.755 132 L CB -0.316 41.616 42.059 -0.212 0.000 0.904 132 L HN 0.245 nan 8.230 nan 0.000 0.435 133 L N -0.387 120.619 121.223 -0.360 0.000 2.141 133 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 133 L C 2.651 179.418 176.870 -0.172 0.000 1.094 133 L CA 1.107 55.668 54.840 -0.465 0.000 0.763 133 L CB -0.403 41.203 42.059 -0.756 0.000 0.908 133 L HN 0.242 nan 8.230 nan 0.000 0.437 134 K N 0.483 120.817 120.400 -0.110 0.000 2.057 134 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 134 K C 1.815 178.418 176.600 0.005 0.000 1.050 134 K CA 1.363 57.644 56.287 -0.011 0.000 0.935 134 K CB 0.102 32.571 32.500 -0.052 0.000 0.715 134 K HN 0.355 nan 8.250 nan 0.000 0.439 135 E N -0.495 119.684 120.200 -0.034 0.000 2.347 135 E HA -0.096 4.253 4.350 -0.001 0.000 0.196 135 E C 1.289 177.898 176.600 0.014 0.000 1.008 135 E CA 0.567 56.960 56.400 -0.011 0.000 0.852 135 E CB 0.164 29.849 29.700 -0.025 0.000 0.783 135 E HN 0.293 nan 8.360 nan 0.000 0.505 136 A N 0.413 123.238 122.820 0.009 0.000 2.251 136 A HA 0.320 4.639 4.320 -0.001 0.000 0.209 136 A C 1.585 179.277 177.584 0.180 0.000 1.187 136 A CA 0.621 52.689 52.037 0.052 0.000 0.823 136 A CB -0.124 18.847 19.000 -0.049 0.000 0.846 136 A HN 0.288 nan 8.150 nan 0.000 0.486 137 G N -2.264 106.632 108.800 0.160 0.000 2.131 137 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.223 137 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.223 137 G C -0.166 174.829 174.900 0.157 0.000 0.990 137 G CA 0.120 45.298 45.100 0.129 0.000 0.671 137 G HN 0.341 nan 8.290 nan 0.000 0.521 138 Y N 0.716 121.026 120.300 0.016 0.000 2.354 138 Y HA 0.605 5.153 4.550 -0.003 0.000 0.322 138 Y C 1.164 177.120 175.900 0.094 0.000 1.253 138 Y CA -0.122 58.021 58.100 0.072 0.000 1.272 138 Y CB 1.424 39.917 38.460 0.055 0.000 1.255 138 Y HN 0.043 nan 8.280 nan 0.000 0.500 139 T N 1.738 116.465 114.554 0.288 0.000 2.753 139 T HA 0.290 4.639 4.350 -0.001 0.000 0.297 139 T C -0.237 174.551 174.700 0.146 0.000 0.981 139 T CA -0.869 61.343 62.100 0.187 0.000 0.956 139 T CB -0.139 68.920 68.868 0.318 0.000 0.936 139 T HN 0.643 nan 8.240 nan 0.000 0.463 140 T N 1.748 116.314 114.554 0.020 0.000 2.806 140 T HA 0.483 4.832 4.350 -0.001 0.000 0.290 140 T C -0.593 174.035 174.700 -0.119 0.000 0.966 140 T CA -0.823 61.372 62.100 0.157 0.000 1.060 140 T CB 0.648 69.657 68.868 0.234 0.000 0.927 140 T HN 0.588 nan 8.240 nan 0.000 0.485 141 H N 2.715 121.972 119.070 0.312 0.000 2.806 141 H HA 0.531 5.087 4.556 -0.001 0.000 0.367 141 H C -0.880 174.367 175.328 -0.135 0.000 1.136 141 H CA -0.880 55.242 56.048 0.123 0.000 1.178 141 H CB 2.246 32.017 29.762 0.014 0.000 1.718 141 H HN 0.664 nan 8.280 nan 0.000 0.540 142 M N 2.575 122.020 119.600 -0.258 0.000 2.393 142 M HA 0.473 4.953 4.480 -0.001 0.000 0.299 142 M C -1.922 174.158 176.300 -0.367 0.000 1.103 142 M CA -0.888 54.073 55.300 -0.565 0.000 0.910 142 M CB 1.924 33.779 32.600 -1.242 0.000 1.659 142 M HN 0.305 nan 8.290 nan 0.000 0.445 143 V N 4.380 124.020 119.914 -0.457 0.000 2.524 143 V HA 0.937 5.056 4.120 -0.001 0.000 0.297 143 V C 0.221 175.826 176.094 -0.814 0.000 1.035 143 V CA 0.310 62.272 62.300 -0.564 0.000 0.867 143 V CB 0.881 32.461 31.823 -0.406 0.000 1.004 143 V HN 1.190 nan 8.190 nan 0.000 0.426 144 G N 4.145 112.291 108.800 -1.089 0.000 2.306 144 G HA2 -0.039 3.920 3.960 -0.001 0.000 0.262 144 G HA3 -0.039 3.920 3.960 -0.001 0.000 0.262 144 G C -0.612 173.849 174.900 -0.732 0.000 1.263 144 G CA -0.361 44.043 45.100 -1.161 0.000 1.088 144 G HN 0.863 nan 8.290 nan 0.000 0.489 145 K N 0.577 120.522 120.400 -0.759 0.000 2.416 145 K HA 0.233 4.552 4.320 -0.001 0.000 0.283 145 K C 0.993 177.420 176.600 -0.288 0.000 1.037 145 K CA -0.039 55.711 56.287 -0.895 0.000 0.995 145 K CB 0.311 32.347 32.500 -0.775 0.000 0.938 145 K HN 0.612 nan 8.250 nan 0.000 0.475 146 W N 4.954 126.030 121.300 -0.374 0.000 2.984 146 W HA -0.063 4.595 4.660 -0.002 0.000 0.288 146 W C 0.181 176.674 176.519 -0.043 0.000 1.016 146 W CA 1.018 58.256 57.345 -0.178 0.000 1.835 146 W CB -0.078 29.259 29.460 -0.206 0.000 1.201 146 W HN 0.949 nan 8.180 nan 0.000 0.529 147 H N 0.216 119.183 119.070 -0.171 0.000 2.862 147 H HA -0.189 4.367 4.556 -0.001 0.000 0.290 147 H C 0.122 175.153 175.328 -0.495 0.000 1.211 147 H CA 0.631 56.508 56.048 -0.285 0.000 1.140 147 H CB -1.185 28.432 29.762 -0.241 0.000 1.341 147 H HN 0.174 nan 8.280 nan 0.000 0.392 148 L N 0.230 120.939 121.223 -0.855 0.000 3.014 148 L HA 0.386 4.725 4.340 -0.001 0.000 0.263 148 L C 1.055 177.747 176.870 -0.296 0.000 1.207 148 L CA 0.527 54.879 54.840 -0.814 0.000 1.017 148 L CB 1.186 42.391 42.059 -1.423 0.000 1.360 148 L HN 0.513 nan 8.230 nan 0.000 0.560 149 G N 1.612 110.397 108.800 -0.024 0.000 2.640 149 G HA2 0.016 3.975 3.960 -0.001 0.000 0.686 149 G HA3 0.016 3.975 3.960 -0.001 0.000 0.686 149 G C -0.512 174.592 174.900 0.341 0.000 1.229 149 G CA -0.110 45.102 45.100 0.187 0.000 0.796 149 G HN 0.193 nan 8.290 nan 0.000 0.654 150 M N -0.442 119.318 119.600 0.267 0.000 2.622 150 M HA 0.273 4.752 4.480 -0.001 0.000 0.456 150 M C 0.911 177.261 176.300 0.084 0.000 1.168 150 M CA 0.536 55.951 55.300 0.192 0.000 0.930 150 M CB -0.749 31.997 32.600 0.242 0.000 1.919 150 M HN 1.483 nan 8.290 nan 0.000 0.640 151 Y N 0.825 121.018 120.300 -0.178 0.000 2.421 151 Y HA 0.428 4.978 4.550 -0.002 0.000 0.292 151 Y C 0.186 175.781 175.900 -0.509 0.000 1.136 151 Y CA 0.417 58.123 58.100 -0.656 0.000 1.255 151 Y CB -0.159 37.620 38.460 -1.135 0.000 0.991 151 Y HN 0.263 nan 8.280 nan 0.000 0.552 152 R N -0.043 119.978 120.500 -0.798 0.000 2.854 152 R HA 0.318 4.657 4.340 -0.001 0.000 0.271 152 R C 0.601 176.716 176.300 -0.308 0.000 0.996 152 R CA -0.976 54.733 56.100 -0.652 0.000 0.961 152 R CB 1.459 31.285 30.300 -0.790 0.000 1.182 152 R HN -0.175 nan 8.270 nan 0.000 0.479 153 K N 1.175 121.448 120.400 -0.213 0.000 2.097 153 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 153 K C 1.218 177.741 176.600 -0.128 0.000 1.049 153 K CA 1.540 57.748 56.287 -0.133 0.000 0.933 153 K CB 0.079 32.520 32.500 -0.098 0.000 0.717 153 K HN 0.447 nan 8.250 nan 0.000 0.442 154 E N -0.592 119.523 120.200 -0.141 0.000 2.267 154 E HA -0.159 4.190 4.350 -0.001 0.000 0.197 154 E C 1.456 178.020 176.600 -0.060 0.000 0.998 154 E CA 0.938 57.277 56.400 -0.102 0.000 0.830 154 E CB -0.237 29.400 29.700 -0.106 0.000 0.751 154 E HN 0.291 nan 8.360 nan 0.000 0.491 155 c N 0.251 118.816 118.600 -0.058 0.000 2.539 155 c HA 0.163 4.733 4.570 -0.001 0.000 0.268 155 c C 0.886 175.054 174.090 0.129 0.000 1.395 155 c CA -0.575 55.801 56.329 0.077 0.000 1.757 155 c CB -0.918 41.646 42.510 0.090 0.000 1.851 155 c HN 0.270 nan 8.230 nan 0.000 0.545 156 L N 2.829 123.994 121.223 -0.095 0.000 2.456 156 L HA 0.137 4.476 4.340 -0.001 0.000 0.272 156 L C -0.678 175.835 176.870 -0.594 0.000 1.189 156 L CA -1.027 53.585 54.840 -0.380 0.000 0.846 156 L CB 0.092 41.973 42.059 -0.297 0.000 1.111 156 L HN 0.016 nan 8.230 nan 0.000 0.475 157 P HA -0.179 nan 4.420 nan 0.000 0.216 157 P C 1.303 178.365 177.300 -0.396 0.000 1.150 157 P CA 1.637 64.042 63.100 -1.159 0.000 0.837 157 P CB -0.158 30.451 31.700 -1.818 0.000 0.786 158 T N -2.180 112.154 114.554 -0.367 0.000 2.929 158 T HA -0.059 4.290 4.350 -0.001 0.000 0.271 158 T C 1.536 176.179 174.700 -0.095 0.000 1.085 158 T CA 0.737 62.758 62.100 -0.132 0.000 1.125 158 T CB -0.531 68.282 68.868 -0.093 0.000 0.874 158 T HN 0.112 nan 8.240 nan 0.000 0.494 159 R N 0.615 121.037 120.500 -0.130 0.000 2.427 159 R HA 0.340 4.679 4.340 -0.001 0.000 0.262 159 R C 0.975 177.236 176.300 -0.064 0.000 0.943 159 R CA -0.067 55.983 56.100 -0.084 0.000 1.081 159 R CB 0.239 30.488 30.300 -0.085 0.000 1.166 159 R HN 0.385 nan 8.270 nan 0.000 0.534 160 R N -0.317 120.144 120.500 -0.064 0.000 2.629 160 R HA 0.212 4.551 4.340 -0.001 0.000 0.408 160 R C 0.406 176.653 176.300 -0.089 0.000 1.057 160 R CA 0.430 56.513 56.100 -0.029 0.000 1.119 160 R CB 1.365 31.714 30.300 0.082 0.000 1.403 160 R HN 0.342 nan 8.270 nan 0.000 0.576 161 G N 0.255 108.979 108.800 -0.126 0.000 2.480 161 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.193 161 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.193 161 G C -0.226 174.504 174.900 -0.283 0.000 1.004 161 G CA -0.748 44.211 45.100 -0.235 0.000 0.696 161 G HN 0.098 nan 8.290 nan 0.000 0.478 162 F N 2.781 122.711 119.950 -0.033 0.000 2.411 162 F HA 0.471 4.998 4.527 0.000 0.000 0.355 162 F C 1.243 177.010 175.800 -0.056 0.000 1.117 162 F CA -0.752 57.230 58.000 -0.031 0.000 1.139 162 F CB 1.253 40.226 39.000 -0.044 0.000 1.120 162 F HN -0.099 nan 8.300 nan 0.000 0.493 163 D N 0.571 121.035 120.400 0.107 0.000 2.117 163 D HA -0.087 4.552 4.640 -0.001 0.000 0.197 163 D C 1.104 177.450 176.300 0.077 0.000 0.987 163 D CA 1.546 55.565 54.000 0.031 0.000 0.829 163 D CB 0.006 40.767 40.800 -0.064 0.000 0.961 163 D HN 0.541 nan 8.370 nan 0.000 0.460 164 T N -3.051 111.573 114.554 0.117 0.000 2.916 164 T HA 0.536 4.885 4.350 -0.001 0.000 0.292 164 T C -1.182 173.618 174.700 0.167 0.000 1.055 164 T CA -0.911 61.288 62.100 0.164 0.000 1.009 164 T CB 2.677 71.698 68.868 0.254 0.000 1.118 164 T HN 0.046 nan 8.240 nan 0.000 0.497 165 Y N 1.191 121.459 120.300 -0.053 0.000 2.519 165 Y HA 0.699 5.248 4.550 -0.001 0.000 0.336 165 Y C -2.579 173.241 175.900 -0.133 0.000 1.089 165 Y CA -2.256 55.733 58.100 -0.185 0.000 1.025 165 Y CB 2.101 40.389 38.460 -0.287 0.000 1.318 165 Y HN 0.954 nan 8.280 nan 0.000 0.452 166 F N 4.837 124.036 119.950 -1.251 0.000 2.630 166 F HA 0.756 5.282 4.527 -0.002 0.000 0.325 166 F C -0.372 174.574 175.800 -1.423 0.000 1.184 166 F CA 0.359 57.675 58.000 -1.141 0.000 1.011 166 F CB 1.602 40.226 39.000 -0.626 0.000 1.268 166 F HN 0.899 nan 8.300 nan 0.000 0.480 167 G N 3.458 111.207 108.800 -1.752 0.000 2.368 167 G HA2 0.294 4.253 3.960 -0.001 0.000 0.269 167 G HA3 0.294 4.253 3.960 -0.001 0.000 0.269 167 G C -2.295 172.268 174.900 -0.562 0.000 1.291 167 G CA -0.201 44.242 45.100 -1.094 0.000 0.903 167 G HN 1.073 nan 8.290 nan 0.000 0.483 168 Y N -0.287 119.899 120.300 -0.190 0.000 2.468 168 Y HA 0.811 5.360 4.550 -0.001 0.000 0.342 168 Y C 0.968 176.953 175.900 0.141 0.000 1.021 168 Y CA -1.466 56.660 58.100 0.044 0.000 1.079 168 Y CB 1.312 39.870 38.460 0.162 0.000 1.226 168 Y HN 0.410 nan 8.280 nan 0.000 0.460 169 L N 1.757 123.127 121.223 0.245 0.000 2.162 169 L HA 0.095 4.434 4.340 -0.001 0.000 0.205 169 L C 0.825 177.802 176.870 0.178 0.000 1.086 169 L CA 0.394 55.371 54.840 0.228 0.000 0.778 169 L CB -0.208 41.986 42.059 0.225 0.000 0.928 169 L HN 0.597 nan 8.230 nan 0.000 0.446 170 L N -0.940 120.361 121.223 0.129 0.000 2.505 170 L HA 0.189 4.528 4.340 -0.001 0.000 0.226 170 L C 1.707 178.396 176.870 -0.302 0.000 1.211 170 L CA 0.146 54.945 54.840 -0.069 0.000 0.828 170 L CB -0.025 41.946 42.059 -0.148 0.000 1.331 170 L HN -0.009 nan 8.230 nan 0.000 0.513 171 G N -1.058 107.286 108.800 -0.760 0.000 2.683 171 G HA2 0.094 4.053 3.960 -0.001 0.000 0.213 171 G HA3 0.094 4.053 3.960 -0.001 0.000 0.213 171 G C 0.272 174.899 174.900 -0.455 0.000 1.142 171 G CA 0.738 45.212 45.100 -1.043 0.000 0.793 171 G HN 0.606 nan 8.290 nan 0.000 0.534 172 S N -0.875 114.666 115.700 -0.265 0.000 2.567 172 S HA 0.637 5.106 4.470 -0.001 0.000 0.270 172 S C -1.099 173.357 174.600 -0.240 0.000 1.152 172 S CA -0.372 57.651 58.200 -0.295 0.000 0.835 172 S CB 2.395 65.426 63.200 -0.281 0.000 1.115 172 S HN 0.619 nan 8.310 nan 0.000 0.459 173 E N 0.186 120.196 120.200 -0.317 0.000 2.388 173 E HA 0.313 4.662 4.350 -0.001 0.000 0.269 173 E C -1.988 174.464 176.600 -0.246 0.000 1.172 173 E CA -1.014 55.232 56.400 -0.257 0.000 0.887 173 E CB 0.265 29.773 29.700 -0.320 0.000 1.544 173 E HN 0.544 nan 8.360 nan 0.000 0.451 174 D N -0.161 120.137 120.400 -0.170 0.000 2.351 174 D HA 0.077 4.717 4.640 -0.001 0.000 0.251 174 D C 0.050 176.203 176.300 -0.246 0.000 1.137 174 D CA 0.097 54.035 54.000 -0.104 0.000 0.879 174 D CB 0.485 41.250 40.800 -0.057 0.000 1.181 174 D HN 0.408 nan 8.370 nan 0.000 0.448 175 Y N 2.778 122.893 120.300 -0.308 0.000 2.224 175 Y HA -0.241 4.308 4.550 -0.001 0.000 0.289 175 Y C 1.453 176.954 175.900 -0.665 0.000 1.146 175 Y CA 1.380 59.142 58.100 -0.563 0.000 1.182 175 Y CB -0.121 37.860 38.460 -0.797 0.000 0.983 175 Y HN 0.573 nan 8.280 nan 0.000 0.524 176 Y N -1.918 118.239 120.300 -0.239 0.000 2.301 176 Y HA -0.083 4.466 4.550 -0.001 0.000 0.295 176 Y C 2.641 178.069 175.900 -0.786 0.000 1.126 176 Y CA 0.927 58.809 58.100 -0.363 0.000 1.154 176 Y CB -0.694 37.711 38.460 -0.091 0.000 1.075 176 Y HN 0.023 nan 8.280 nan 0.000 0.534 177 S N -1.417 114.038 115.700 -0.408 0.000 2.470 177 S HA -0.079 4.391 4.470 -0.001 0.000 0.225 177 S C 0.066 174.381 174.600 -0.476 0.000 1.006 177 S CA 0.783 58.766 58.200 -0.362 0.000 0.934 177 S CB -0.762 62.362 63.200 -0.125 0.000 0.778 177 S HN 0.656 nan 8.310 nan 0.000 0.517 178 H N 0.929 119.844 119.070 -0.259 0.000 2.862 178 H HA -0.100 4.456 4.556 -0.001 0.000 0.290 178 H C -0.502 174.728 175.328 -0.164 0.000 1.211 178 H CA 0.953 56.765 56.048 -0.393 0.000 1.140 178 H CB -2.229 27.004 29.762 -0.882 0.000 1.341 178 H HN 0.619 nan 8.280 nan 0.000 0.392 179 E N 0.679 120.855 120.200 -0.040 0.000 2.221 179 E HA 0.617 4.966 4.350 -0.001 0.000 0.268 179 E C 0.163 176.814 176.600 0.084 0.000 0.933 179 E CA -1.206 55.236 56.400 0.070 0.000 0.809 179 E CB 2.103 31.837 29.700 0.057 0.000 1.190 179 E HN 0.191 nan 8.360 nan 0.000 0.406 180 R N 1.001 121.632 120.500 0.218 0.000 2.575 180 R HA 0.412 4.751 4.340 -0.001 0.000 0.293 180 R C -1.898 174.605 176.300 0.338 0.000 0.983 180 R CA -0.309 55.901 56.100 0.183 0.000 0.887 180 R CB 0.923 31.242 30.300 0.031 0.000 1.184 180 R HN 0.578 nan 8.270 nan 0.000 0.445 181 c N 3.156 121.884 118.600 0.213 0.000 2.351 181 c HA 0.863 5.432 4.570 -0.001 0.000 0.326 181 c C -0.570 173.636 174.090 0.193 0.000 1.272 181 c CA -0.401 56.071 56.329 0.238 0.000 1.650 181 c CB 1.128 43.725 42.510 0.145 0.000 2.257 181 c HN 0.898 nan 8.230 nan 0.000 0.505 182 T N 0.982 115.687 114.554 0.252 0.000 2.883 182 T HA 0.585 4.934 4.350 -0.001 0.000 0.301 182 T C -0.964 173.825 174.700 0.148 0.000 1.158 182 T CA -0.692 61.502 62.100 0.157 0.000 1.007 182 T CB 1.369 70.290 68.868 0.089 0.000 1.186 182 T HN 0.390 nan 8.240 nan 0.000 0.499 183 L N 1.887 123.154 121.223 0.074 0.000 2.281 183 L HA 0.541 4.880 4.340 -0.001 0.000 0.285 183 L C -0.659 176.234 176.870 0.037 0.000 1.074 183 L CA -0.636 54.230 54.840 0.044 0.000 0.817 183 L CB -0.101 41.959 42.059 0.003 0.000 1.168 183 L HN 0.641 nan 8.230 nan 0.000 0.434 184 I N 5.793 126.390 120.570 0.045 0.000 2.269 184 I HA 0.115 4.284 4.170 -0.001 0.000 0.293 184 I C 0.654 176.767 176.117 -0.006 0.000 1.106 184 I CA -0.500 60.814 61.300 0.023 0.000 1.248 184 I CB 0.497 38.510 38.000 0.022 0.000 1.444 184 I HN 0.651 nan 8.210 nan 0.000 0.497 185 D N 4.965 125.353 120.400 -0.021 0.000 2.177 185 D HA -0.276 4.363 4.640 -0.001 0.000 0.189 185 D C 2.184 178.471 176.300 -0.022 0.000 1.002 185 D CA 1.981 55.965 54.000 -0.027 0.000 0.845 185 D CB -0.063 40.714 40.800 -0.038 0.000 0.960 185 D HN 0.654 nan 8.370 nan 0.000 0.447 186 A N 0.087 122.893 122.820 -0.023 0.000 2.032 186 A HA -0.148 4.172 4.320 -0.001 0.000 0.221 186 A C 2.335 179.908 177.584 -0.019 0.000 1.165 186 A CA 1.198 53.224 52.037 -0.020 0.000 0.645 186 A CB -0.593 18.394 19.000 -0.020 0.000 0.807 186 A HN 0.295 nan 8.150 nan 0.000 0.453 187 L N -2.199 119.011 121.223 -0.021 0.000 2.590 187 L HA 0.121 4.460 4.340 -0.001 0.000 0.227 187 L C 0.902 177.763 176.870 -0.015 0.000 1.099 187 L CA 0.414 55.242 54.840 -0.020 0.000 0.872 187 L CB -0.159 41.885 42.059 -0.026 0.000 1.088 187 L HN 0.511 nan 8.230 nan 0.000 0.479 188 N N 0.779 119.471 118.700 -0.013 0.000 2.740 188 N HA -0.173 4.566 4.740 -0.001 0.000 0.248 188 N C -0.744 174.762 175.510 -0.006 0.000 1.062 188 N CA 0.889 53.933 53.050 -0.010 0.000 0.704 188 N CB -0.949 37.531 38.487 -0.011 0.000 0.968 188 N HN 0.265 nan 8.380 nan 0.000 0.547 189 V N -3.464 116.449 119.914 -0.002 0.000 2.925 189 V HA 0.771 4.890 4.120 -0.001 0.000 0.311 189 V C 0.311 176.417 176.094 0.020 0.000 1.104 189 V CA -0.581 61.721 62.300 0.003 0.000 0.954 189 V CB 2.126 33.944 31.823 -0.007 0.000 1.022 189 V HN 0.068 nan 8.190 nan 0.000 0.427 190 T N 4.814 119.384 114.554 0.027 0.000 2.738 190 T HA 0.494 4.843 4.350 -0.001 0.000 0.298 190 T C -0.110 174.626 174.700 0.060 0.000 0.962 190 T CA -0.377 61.757 62.100 0.055 0.000 0.972 190 T CB 0.202 69.100 68.868 0.050 0.000 0.928 190 T HN 0.633 nan 8.240 nan 0.000 0.474 191 R N 2.182 122.740 120.500 0.096 0.000 2.265 191 R HA 0.416 4.755 4.340 -0.001 0.000 0.319 191 R C -0.744 175.638 176.300 0.136 0.000 1.006 191 R CA -0.431 55.697 56.100 0.046 0.000 0.880 191 R CB 0.894 31.154 30.300 -0.065 0.000 1.077 191 R HN 0.597 nan 8.270 nan 0.000 0.454 192 c N 2.376 121.009 118.600 0.055 0.000 2.303 192 c HA 0.873 5.443 4.570 -0.001 0.000 0.326 192 c C 0.278 174.366 174.090 -0.003 0.000 1.285 192 c CA -0.464 55.933 56.329 0.114 0.000 1.675 192 c CB 0.763 43.321 42.510 0.079 0.000 2.289 192 c HN 0.843 nan 8.230 nan 0.000 0.512 193 A N 2.485 125.342 122.820 0.062 0.000 2.609 193 A HA 0.778 5.097 4.320 -0.001 0.000 0.291 193 A C -1.272 176.396 177.584 0.139 0.000 1.096 193 A CA -0.568 51.395 52.037 -0.123 0.000 0.684 193 A CB 0.708 19.288 19.000 -0.701 0.000 1.282 193 A HN 0.799 nan 8.150 nan 0.000 0.412 194 L N 0.809 122.092 121.223 0.100 0.000 2.426 194 L HA 0.566 4.906 4.340 -0.001 0.000 0.271 194 L C -0.535 176.533 176.870 0.330 0.000 1.169 194 L CA 0.651 55.605 54.840 0.191 0.000 0.836 194 L CB 0.750 42.893 42.059 0.140 0.000 1.112 194 L HN 0.677 nan 8.230 nan 0.000 0.465 195 D N 4.154 124.767 120.400 0.355 0.000 2.363 195 D HA 0.320 4.959 4.640 -0.001 0.000 0.258 195 D C -1.813 174.752 176.300 0.441 0.000 1.259 195 D CA -0.058 54.179 54.000 0.395 0.000 0.921 195 D CB -0.013 41.007 40.800 0.367 0.000 1.201 195 D HN 0.248 nan 8.370 nan 0.000 0.524 196 F N 2.413 122.409 119.950 0.077 0.000 2.615 196 F HA 0.543 5.069 4.527 -0.001 0.000 0.312 196 F C -1.051 174.649 175.800 -0.167 0.000 1.119 196 F CA -0.576 57.372 58.000 -0.087 0.000 0.979 196 F CB 1.599 40.531 39.000 -0.114 0.000 1.266 196 F HN 0.057 nan 8.300 nan 0.000 0.444 197 R N 2.292 122.446 120.500 -0.576 0.000 2.673 197 R HA 0.364 4.703 4.340 -0.001 0.000 0.281 197 R C -1.832 173.948 176.300 -0.868 0.000 0.991 197 R CA -0.847 54.968 56.100 -0.475 0.000 0.896 197 R CB 2.122 32.318 30.300 -0.173 0.000 1.201 197 R HN 0.560 nan 8.270 nan 0.000 0.457 198 D N 0.975 121.132 120.400 -0.404 0.000 2.446 198 D HA 0.437 5.076 4.640 -0.001 0.000 0.251 198 D C 0.843 177.113 176.300 -0.050 0.000 1.137 198 D CA 0.661 54.555 54.000 -0.177 0.000 0.890 198 D CB 0.857 41.737 40.800 0.134 0.000 1.071 198 D HN 0.723 nan 8.370 nan 0.000 0.528 199 G N 4.489 113.265 108.800 -0.040 0.000 2.559 199 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.282 199 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.282 199 G C 0.633 175.566 174.900 0.055 0.000 1.177 199 G CA 0.292 45.419 45.100 0.046 0.000 0.960 199 G HN 0.504 nan 8.290 nan 0.000 0.540 200 E N 1.148 121.364 120.200 0.027 0.000 2.562 200 E HA 0.179 4.528 4.350 -0.001 0.000 0.214 200 E C -0.060 176.553 176.600 0.022 0.000 0.979 200 E CA -0.212 56.197 56.400 0.015 0.000 1.002 200 E CB 0.578 30.277 29.700 -0.001 0.000 1.048 200 E HN 0.480 nan 8.360 nan 0.000 0.488 201 E N 1.138 121.351 120.200 0.022 0.000 2.318 201 E HA 0.187 4.536 4.350 -0.001 0.000 0.265 201 E C -0.021 176.599 176.600 0.034 0.000 1.069 201 E CA -0.540 55.881 56.400 0.036 0.000 0.893 201 E CB 1.934 31.663 29.700 0.049 0.000 1.076 201 E HN -0.156 nan 8.360 nan 0.000 0.414 202 V N 1.531 121.483 119.914 0.063 0.000 2.479 202 V HA 0.130 4.249 4.120 -0.001 0.000 0.281 202 V C 0.489 176.657 176.094 0.123 0.000 1.031 202 V CA -0.283 62.071 62.300 0.090 0.000 1.038 202 V CB 0.578 32.462 31.823 0.101 0.000 0.981 202 V HN 0.689 nan 8.190 nan 0.000 0.478 203 A N 4.847 127.751 122.820 0.139 0.000 2.807 203 A HA 0.520 4.839 4.320 -0.001 0.000 0.307 203 A C 0.819 178.691 177.584 0.481 0.000 1.532 203 A CA -0.293 51.920 52.037 0.293 0.000 1.215 203 A CB -0.557 18.472 19.000 0.048 0.000 1.127 203 A HN 0.925 nan 8.150 nan 0.000 0.543 204 T N -1.295 113.458 114.554 0.331 0.000 2.902 204 T HA 0.601 4.950 4.350 -0.001 0.000 0.280 204 T C 1.098 175.887 174.700 0.149 0.000 0.992 204 T CA 0.134 62.379 62.100 0.240 0.000 1.015 204 T CB 1.456 70.403 68.868 0.131 0.000 1.044 204 T HN 1.992 nan 8.240 nan 0.000 0.520 205 G N -0.055 108.788 108.800 0.071 0.000 2.136 205 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.242 205 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.242 205 G C 0.055 174.843 174.900 -0.186 0.000 0.989 205 G CA 0.264 45.317 45.100 -0.078 0.000 0.682 205 G HN 0.791 nan 8.290 nan 0.000 0.522 206 Y N 0.168 120.568 120.300 0.167 0.000 2.636 206 Y HA 0.370 4.919 4.550 -0.001 0.000 0.260 206 Y C 1.465 177.489 175.900 0.206 0.000 1.177 206 Y CA -0.198 58.021 58.100 0.199 0.000 1.209 206 Y CB 0.541 39.136 38.460 0.226 0.000 1.166 206 Y HN 0.260 nan 8.280 nan 0.000 0.531 207 K N 0.985 121.511 120.400 0.210 0.000 2.380 207 K HA -0.040 4.279 4.320 -0.001 0.000 0.267 207 K C 0.289 176.952 176.600 0.105 0.000 0.990 207 K CA 0.537 56.887 56.287 0.104 0.000 0.946 207 K CB 0.109 32.639 32.500 0.050 0.000 0.937 207 K HN 0.462 nan 8.250 nan 0.000 0.491 208 N N 0.968 119.707 118.700 0.064 0.000 2.741 208 N HA -0.212 4.527 4.740 -0.001 0.000 0.250 208 N C -1.311 174.346 175.510 0.244 0.000 1.115 208 N CA 0.970 54.078 53.050 0.098 0.000 0.724 208 N CB -0.855 37.645 38.487 0.021 0.000 1.090 208 N HN 0.448 nan 8.380 nan 0.000 0.558 209 M N 0.362 120.148 119.600 0.310 0.000 2.134 209 M HA 0.229 4.708 4.480 -0.001 0.000 0.310 209 M C -0.522 175.984 176.300 0.344 0.000 0.966 209 M CA -0.747 54.768 55.300 0.359 0.000 0.922 209 M CB 1.201 34.016 32.600 0.358 0.000 1.537 209 M HN 0.052 nan 8.290 nan 0.000 0.424 210 Y N 2.553 122.931 120.300 0.129 0.000 2.721 210 Y HA -0.099 4.451 4.550 -0.001 0.000 0.329 210 Y C 1.564 177.430 175.900 -0.056 0.000 1.211 210 Y CA 1.137 59.145 58.100 -0.153 0.000 1.512 210 Y CB 0.909 39.255 38.460 -0.190 0.000 1.249 210 Y HN 0.901 nan 8.280 nan 0.000 0.549 211 S N 1.476 116.950 115.700 -0.376 0.000 2.374 211 S HA -0.248 4.221 4.470 -0.001 0.000 0.227 211 S C 1.746 175.927 174.600 -0.698 0.000 1.037 211 S CA 1.997 59.838 58.200 -0.599 0.000 1.024 211 S CB -0.808 61.957 63.200 -0.725 0.000 0.861 211 S HN 0.806 nan 8.310 nan 0.000 0.456 212 T N 2.585 116.943 114.554 -0.327 0.000 2.788 212 T HA -0.048 4.301 4.350 -0.001 0.000 0.268 212 T C 1.631 176.368 174.700 0.062 0.000 1.044 212 T CA 1.769 63.861 62.100 -0.013 0.000 1.139 212 T CB -0.707 68.276 68.868 0.192 0.000 0.867 212 T HN 0.616 nan 8.240 nan 0.000 0.454 213 N N 0.867 119.634 118.700 0.112 0.000 2.142 213 N HA 0.082 4.821 4.740 -0.001 0.000 0.186 213 N C 1.757 177.298 175.510 0.052 0.000 1.023 213 N CA 0.799 53.913 53.050 0.106 0.000 0.852 213 N CB -0.325 38.252 38.487 0.151 0.000 0.998 213 N HN 0.345 nan 8.380 nan 0.000 0.424 214 I N -0.059 120.504 120.570 -0.011 0.000 2.179 214 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 214 I C 1.369 177.488 176.117 0.002 0.000 1.088 214 I CA 1.009 62.285 61.300 -0.039 0.000 1.357 214 I CB -0.277 37.667 38.000 -0.093 0.000 1.051 214 I HN 0.051 nan 8.210 nan 0.000 0.409 215 F N 1.098 121.024 119.950 -0.041 0.000 2.134 215 F HA -0.165 4.361 4.527 -0.001 0.000 0.299 215 F C 2.809 178.560 175.800 -0.081 0.000 1.097 215 F CA 1.308 59.259 58.000 -0.083 0.000 1.264 215 F CB -1.911 37.075 39.000 -0.023 0.000 1.001 215 F HN 0.052 nan 8.300 nan 0.000 0.479 216 T N -0.154 114.495 114.554 0.158 0.000 2.746 216 T HA -0.211 4.138 4.350 -0.001 0.000 0.267 216 T C 2.064 176.779 174.700 0.025 0.000 1.039 216 T CA 1.537 63.687 62.100 0.084 0.000 1.142 216 T CB -0.229 68.686 68.868 0.078 0.000 0.866 216 T HN 0.170 nan 8.240 nan 0.000 0.444 217 K N 0.683 121.090 120.400 0.012 0.000 2.103 217 K HA -0.126 4.193 4.320 -0.001 0.000 0.207 217 K C 2.499 179.059 176.600 -0.067 0.000 1.048 217 K CA 0.945 57.220 56.287 -0.020 0.000 0.930 217 K CB 0.070 32.564 32.500 -0.011 0.000 0.716 217 K HN 0.040 nan 8.250 nan 0.000 0.444 218 R N 0.225 120.657 120.500 -0.114 0.000 2.073 218 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 218 R C 2.343 178.559 176.300 -0.139 0.000 1.134 218 R CA 1.438 57.423 56.100 -0.191 0.000 0.952 218 R CB -1.033 29.071 30.300 -0.327 0.000 0.850 218 R HN 0.318 nan 8.270 nan 0.000 0.433 219 A N 1.298 124.060 122.820 -0.097 0.000 1.908 219 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 219 A C 2.357 179.899 177.584 -0.070 0.000 1.181 219 A CA 1.389 53.377 52.037 -0.082 0.000 0.627 219 A CB -0.591 18.389 19.000 -0.033 0.000 0.818 219 A HN 0.225 nan 8.150 nan 0.000 0.445 220 I N -0.389 120.152 120.570 -0.048 0.000 2.361 220 I HA -0.257 3.912 4.170 -0.001 0.000 0.251 220 I C 2.896 178.982 176.117 -0.053 0.000 1.133 220 I CA 0.925 62.200 61.300 -0.041 0.000 1.413 220 I CB -0.295 37.688 38.000 -0.030 0.000 1.073 220 I HN 0.373 nan 8.210 nan 0.000 0.424 221 A N 0.832 123.612 122.820 -0.067 0.000 1.930 221 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 221 A C 2.279 179.815 177.584 -0.081 0.000 1.175 221 A CA 1.204 53.201 52.037 -0.066 0.000 0.627 221 A CB -0.660 18.295 19.000 -0.076 0.000 0.815 221 A HN 0.369 nan 8.150 nan 0.000 0.443 222 L N -0.691 120.457 121.223 -0.125 0.000 2.093 222 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 222 L C 2.401 179.194 176.870 -0.129 0.000 1.085 222 L CA 1.020 55.744 54.840 -0.192 0.000 0.755 222 L CB -0.398 41.471 42.059 -0.316 0.000 0.904 222 L HN 0.382 nan 8.230 nan 0.000 0.435 223 I N -0.896 119.617 120.570 -0.095 0.000 2.233 223 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 223 I C 2.465 178.576 176.117 -0.011 0.000 1.093 223 I CA 1.348 62.609 61.300 -0.064 0.000 1.380 223 I CB -0.429 37.543 38.000 -0.046 0.000 1.067 223 I HN 0.189 nan 8.210 nan 0.000 0.413 224 T N 0.813 115.357 114.554 -0.016 0.000 2.777 224 T HA -0.088 4.261 4.350 -0.001 0.000 0.266 224 T C 1.401 176.106 174.700 0.009 0.000 1.040 224 T CA 1.219 63.317 62.100 -0.004 0.000 1.141 224 T CB -0.219 68.640 68.868 -0.014 0.000 0.868 224 T HN 0.262 nan 8.240 nan 0.000 0.444 225 N N 0.934 119.637 118.700 0.005 0.000 2.314 225 N HA 0.023 4.762 4.740 -0.001 0.000 0.200 225 N C -0.031 175.501 175.510 0.036 0.000 1.135 225 N CA 0.054 53.109 53.050 0.009 0.000 0.835 225 N CB -0.173 38.311 38.487 -0.005 0.000 0.989 225 N HN 0.472 nan 8.380 nan 0.000 0.478 226 H N 2.219 121.260 119.070 -0.049 0.000 2.899 226 H HA 0.202 4.756 4.556 -0.002 0.000 0.303 226 H C -2.292 173.035 175.328 -0.002 0.000 1.042 226 H CA -1.489 54.540 56.048 -0.032 0.000 1.479 226 H CB 0.534 30.259 29.762 -0.062 0.000 1.493 226 H HN -0.074 nan 8.280 nan 0.000 0.534 227 P HA 0.134 nan 4.420 nan 0.000 0.275 227 P C -2.528 174.515 177.300 -0.428 0.000 1.276 227 P CA -1.041 61.867 63.100 -0.321 0.000 0.782 227 P CB 0.539 32.117 31.700 -0.203 0.000 0.851 228 P HA -0.022 nan 4.420 nan 0.000 0.270 228 P C 0.362 177.627 177.300 -0.058 0.000 1.227 228 P CA 0.371 63.427 63.100 -0.073 0.000 0.788 228 P CB 0.351 32.050 31.700 -0.002 0.000 0.926 229 E N -2.975 117.227 120.200 0.003 0.000 4.223 229 E HA -0.188 4.161 4.350 -0.001 0.000 0.379 229 E C -0.167 176.419 176.600 -0.023 0.000 0.610 229 E CA 0.884 57.277 56.400 -0.012 0.000 1.397 229 E CB -1.051 28.636 29.700 -0.022 0.000 1.803 229 E HN 0.303 nan 8.360 nan 0.000 0.385 230 K N 0.828 121.222 120.400 -0.009 0.000 2.413 230 K HA 0.377 4.696 4.320 -0.001 0.000 0.257 230 K C -2.846 173.832 176.600 0.130 0.000 0.946 230 K CA -2.228 54.064 56.287 0.008 0.000 0.823 230 K CB 1.565 34.068 32.500 0.005 0.000 1.109 230 K HN -0.175 nan 8.250 nan 0.000 0.427 231 P HA 0.041 nan 4.420 nan 0.000 0.271 231 P C -1.037 176.243 177.300 -0.034 0.000 1.216 231 P CA -0.566 62.313 63.100 -0.367 0.000 0.771 231 P CB 0.540 31.390 31.700 -1.417 0.000 0.864 232 L N 4.898 126.314 121.223 0.322 0.000 2.322 232 L HA 0.683 5.022 4.340 -0.001 0.000 0.279 232 L C -1.276 175.885 176.870 0.485 0.000 1.036 232 L CA -0.507 54.449 54.840 0.193 0.000 0.807 232 L CB 0.518 42.327 42.059 -0.417 0.000 1.226 232 L HN 0.170 nan 8.230 nan 0.000 0.433 233 F N 6.697 126.850 119.950 0.338 0.000 2.577 233 F HA 0.580 5.108 4.527 0.001 0.000 0.344 233 F C -1.850 174.141 175.800 0.320 0.000 1.145 233 F CA -1.164 57.030 58.000 0.323 0.000 0.996 233 F CB 1.414 40.574 39.000 0.266 0.000 1.248 233 F HN 0.437 nan 8.300 nan 0.000 0.447 234 L N 8.182 129.295 121.223 -0.182 0.000 2.319 234 L HA 0.469 4.808 4.340 -0.001 0.000 0.281 234 L C -2.163 174.527 176.870 -0.300 0.000 1.005 234 L CA -0.690 54.019 54.840 -0.219 0.000 0.828 234 L CB 1.124 43.157 42.059 -0.043 0.000 1.227 234 L HN 0.558 nan 8.230 nan 0.000 0.415 235 Y N 6.435 126.427 120.300 -0.513 0.000 2.491 235 Y HA 0.535 5.085 4.550 -0.000 0.000 0.334 235 Y C -1.304 174.459 175.900 -0.228 0.000 0.969 235 Y CA -1.352 56.553 58.100 -0.326 0.000 1.241 235 Y CB 1.257 39.551 38.460 -0.278 0.000 1.105 235 Y HN 0.628 nan 8.280 nan 0.000 0.503 236 L N 6.861 127.935 121.223 -0.249 0.000 2.314 236 L HA 0.651 4.990 4.340 -0.001 0.000 0.275 236 L C -0.385 176.241 176.870 -0.408 0.000 1.068 236 L CA -0.495 54.156 54.840 -0.314 0.000 0.894 236 L CB 0.151 42.152 42.059 -0.096 0.000 1.275 236 L HN 0.729 nan 8.230 nan 0.000 0.432 237 A N 6.587 129.004 122.820 -0.671 0.000 2.774 237 A HA 0.481 4.800 4.320 -0.001 0.000 0.326 237 A C 0.016 177.433 177.584 -0.279 0.000 1.478 237 A CA -0.521 51.199 52.037 -0.529 0.000 1.099 237 A CB -0.538 18.025 19.000 -0.728 0.000 1.148 237 A HN 0.700 nan 8.150 nan 0.000 0.519 238 L N 0.856 122.041 121.223 -0.063 0.000 2.473 238 L HA 0.083 4.422 4.340 -0.001 0.000 0.268 238 L C 1.907 178.899 176.870 0.203 0.000 1.215 238 L CA -0.141 54.795 54.840 0.160 0.000 0.823 238 L CB 0.549 42.731 42.059 0.205 0.000 1.099 238 L HN 0.888 nan 8.230 nan 0.000 0.483 239 Q N 0.570 120.565 119.800 0.325 0.000 2.187 239 Q HA -0.019 4.321 4.340 -0.001 0.000 0.199 239 Q C 0.436 176.567 176.000 0.218 0.000 0.957 239 Q CA 0.280 56.209 55.803 0.210 0.000 0.857 239 Q CB 0.387 29.053 28.738 -0.120 0.000 0.929 239 Q HN 0.756 nan 8.270 nan 0.000 0.453 240 S N 0.603 116.482 115.700 0.299 0.000 2.549 240 S HA 0.076 4.545 4.470 -0.001 0.000 0.286 240 S C 0.063 174.827 174.600 0.274 0.000 1.314 240 S CA -0.137 58.267 58.200 0.340 0.000 1.062 240 S CB 1.371 64.728 63.200 0.262 0.000 0.865 240 S HN 0.322 nan 8.310 nan 0.000 0.498 241 V N 1.296 121.377 119.914 0.278 0.000 2.776 241 V HA 0.326 4.445 4.120 -0.001 0.000 0.332 241 V C 0.247 176.584 176.094 0.406 0.000 1.201 241 V CA -0.722 61.751 62.300 0.288 0.000 1.401 241 V CB -0.650 31.204 31.823 0.051 0.000 1.552 241 V HN 0.845 nan 8.190 nan 0.000 0.605 242 H N 2.360 121.622 119.070 0.320 0.000 2.615 242 H HA 0.386 4.942 4.556 -0.002 0.000 0.363 242 H C 0.338 175.859 175.328 0.321 0.000 1.148 242 H CA 0.203 56.410 56.048 0.265 0.000 1.401 242 H CB 1.823 31.689 29.762 0.173 0.000 1.461 242 H HN 0.814 nan 8.280 nan 0.000 0.588 243 E N 3.442 123.839 120.200 0.329 0.000 2.409 243 E HA 0.245 4.594 4.350 -0.001 0.000 0.257 243 E C -2.611 174.254 176.600 0.442 0.000 1.150 243 E CA -1.742 54.862 56.400 0.341 0.000 0.942 243 E CB -0.495 29.306 29.700 0.168 0.000 0.979 243 E HN 0.300 nan 8.360 nan 0.000 0.447 244 P HA 0.007 nan 4.420 nan 0.000 0.267 244 P C -0.557 176.889 177.300 0.243 0.000 1.200 244 P CA 0.077 63.327 63.100 0.249 0.000 0.772 244 P CB 0.386 32.214 31.700 0.215 0.000 0.855 245 L N 2.716 124.018 121.223 0.132 0.000 2.376 245 L HA 0.103 4.442 4.340 -0.001 0.000 0.250 245 L C 0.633 177.540 176.870 0.061 0.000 1.335 245 L CA 0.356 55.253 54.840 0.095 0.000 1.214 245 L CB -1.234 40.867 42.059 0.071 0.000 1.395 245 L HN 0.324 nan 8.230 nan 0.000 0.424 246 Q N 1.860 121.635 119.800 -0.041 0.000 2.312 246 Q HA 0.774 5.114 4.340 -0.001 0.000 0.263 246 Q C -0.917 175.032 176.000 -0.085 0.000 0.995 246 Q CA -0.682 55.126 55.803 0.009 0.000 0.853 246 Q CB 3.198 31.983 28.738 0.077 0.000 1.300 246 Q HN 0.323 nan 8.270 nan 0.000 0.448 247 V N -0.447 119.467 119.914 -0.000 0.000 3.098 247 V HA 0.402 4.521 4.120 -0.001 0.000 0.294 247 V C -2.787 173.250 176.094 -0.094 0.000 1.351 247 V CA -2.252 59.898 62.300 -0.249 0.000 0.999 247 V CB 1.392 33.099 31.823 -0.193 0.000 1.104 247 V HN 0.616 nan 8.190 nan 0.000 0.438 248 P HA 0.185 nan 4.420 nan 0.000 0.267 248 P C 0.925 178.286 177.300 0.102 0.000 1.209 248 P CA 0.188 63.319 63.100 0.051 0.000 0.763 248 P CB 0.683 32.428 31.700 0.075 0.000 0.816 249 E N 3.611 123.836 120.200 0.043 0.000 2.236 249 E HA -0.340 4.009 4.350 -0.001 0.000 0.205 249 E C 1.487 178.080 176.600 -0.011 0.000 1.028 249 E CA 1.497 57.897 56.400 -0.001 0.000 0.827 249 E CB 0.159 29.849 29.700 -0.017 0.000 0.735 249 E HN 0.539 nan 8.360 nan 0.000 0.470 250 E N -0.234 119.944 120.200 -0.036 0.000 2.268 250 E HA -0.213 4.136 4.350 -0.001 0.000 0.195 250 E C 1.140 177.631 176.600 -0.181 0.000 0.995 250 E CA 1.027 57.343 56.400 -0.140 0.000 0.836 250 E CB -0.525 29.035 29.700 -0.234 0.000 0.763 250 E HN 0.551 nan 8.360 nan 0.000 0.491 251 Y N 0.871 121.151 120.300 -0.034 0.000 2.529 251 Y HA 0.150 4.699 4.550 -0.001 0.000 0.290 251 Y C 2.132 178.083 175.900 0.085 0.000 1.177 251 Y CA 0.345 58.454 58.100 0.014 0.000 1.305 251 Y CB 0.090 38.543 38.460 -0.011 0.000 1.047 251 Y HN -0.021 nan 8.280 nan 0.000 0.522 252 L N -0.676 120.632 121.223 0.142 0.000 2.249 252 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 252 L C 2.385 179.394 176.870 0.231 0.000 1.090 252 L CA 0.677 55.615 54.840 0.163 0.000 0.802 252 L CB -0.279 41.717 42.059 -0.105 0.000 0.947 252 L HN 0.050 nan 8.230 nan 0.000 0.453 253 K N 0.963 121.412 120.400 0.082 0.000 2.063 253 K HA -0.168 4.151 4.320 -0.001 0.000 0.208 253 K C -0.552 176.037 176.600 -0.018 0.000 1.048 253 K CA 1.481 57.791 56.287 0.038 0.000 0.928 253 K CB -0.655 31.837 32.500 -0.013 0.000 0.713 253 K HN 0.172 nan 8.250 nan 0.000 0.442 254 P HA -0.128 nan 4.420 nan 0.000 0.225 254 P C -0.313 176.741 177.300 -0.410 0.000 1.148 254 P CA 1.122 64.044 63.100 -0.297 0.000 0.779 254 P CB 0.102 31.511 31.700 -0.485 0.000 0.780 255 Y N -1.395 118.865 120.300 -0.067 0.000 2.774 255 Y HA 0.167 4.716 4.550 -0.001 0.000 0.305 255 Y C 1.216 176.622 175.900 -0.822 0.000 1.067 255 Y CA -0.477 57.319 58.100 -0.507 0.000 1.304 255 Y CB -0.530 37.661 38.460 -0.447 0.000 1.209 255 Y HN -0.139 nan 8.280 nan 0.000 0.543 256 D N 0.084 120.318 120.400 -0.276 0.000 2.264 256 D HA -0.150 4.489 4.640 -0.001 0.000 0.208 256 D C 1.875 178.060 176.300 -0.191 0.000 0.966 256 D CA 1.061 54.935 54.000 -0.210 0.000 0.864 256 D CB -0.228 40.574 40.800 0.004 0.000 0.933 256 D HN 0.520 nan 8.370 nan 0.000 0.499 257 F N 0.098 119.990 119.950 -0.097 0.000 2.365 257 F HA 0.099 4.625 4.527 -0.002 0.000 0.300 257 F C 0.865 176.632 175.800 -0.056 0.000 1.090 257 F CA 0.034 58.001 58.000 -0.054 0.000 1.408 257 F CB -0.768 38.215 39.000 -0.028 0.000 1.060 257 F HN -0.216 nan 8.300 nan 0.000 0.534 258 I N 2.717 122.895 120.570 -0.654 0.000 2.308 258 I HA 0.060 4.229 4.170 -0.001 0.000 0.293 258 I C 0.827 176.806 176.117 -0.229 0.000 1.078 258 I CA -0.342 60.710 61.300 -0.414 0.000 1.292 258 I CB 1.027 38.697 38.000 -0.550 0.000 1.423 258 I HN 0.173 nan 8.210 nan 0.000 0.493 259 Q N 3.086 122.852 119.800 -0.057 0.000 2.123 259 Q HA -0.085 4.254 4.340 -0.001 0.000 0.199 259 Q C 0.372 176.409 176.000 0.061 0.000 0.966 259 Q CA 0.839 56.652 55.803 0.017 0.000 0.845 259 Q CB -0.310 28.446 28.738 0.031 0.000 0.907 259 Q HN 0.663 nan 8.270 nan 0.000 0.439 260 D N 1.145 121.573 120.400 0.047 0.000 2.472 260 D HA -0.066 4.573 4.640 -0.001 0.000 0.248 260 D C 1.000 177.374 176.300 0.123 0.000 1.174 260 D CA 0.112 54.151 54.000 0.064 0.000 0.883 260 D CB 0.757 41.582 40.800 0.041 0.000 1.149 260 D HN -0.228 nan 8.370 nan 0.000 0.488 261 K N 2.984 123.456 120.400 0.120 0.000 2.032 261 K HA -0.167 4.152 4.320 -0.001 0.000 0.209 261 K C 1.276 177.991 176.600 0.192 0.000 1.048 261 K CA 1.477 57.863 56.287 0.164 0.000 0.927 261 K CB -0.135 32.407 32.500 0.070 0.000 0.712 261 K HN 0.438 nan 8.250 nan 0.000 0.441 262 N N 0.087 118.842 118.700 0.091 0.000 2.084 262 N HA -0.152 4.588 4.740 -0.001 0.000 0.190 262 N C 1.769 177.365 175.510 0.143 0.000 1.030 262 N CA 1.395 54.492 53.050 0.077 0.000 0.849 262 N CB -0.288 38.201 38.487 0.004 0.000 1.012 262 N HN 0.221 nan 8.380 nan 0.000 0.423 263 R N -0.046 120.516 120.500 0.104 0.000 2.115 263 R HA -0.113 4.226 4.340 -0.001 0.000 0.230 263 R C 2.178 178.557 176.300 0.131 0.000 1.111 263 R CA 1.083 57.247 56.100 0.107 0.000 0.976 263 R CB -0.317 30.008 30.300 0.041 0.000 0.870 263 R HN 0.288 nan 8.270 nan 0.000 0.445 264 H N -0.002 119.081 119.070 0.021 0.000 2.321 264 H HA -0.110 4.446 4.556 -0.002 0.000 0.300 264 H C 1.369 176.664 175.328 -0.054 0.000 1.087 264 H CA 2.381 58.401 56.048 -0.046 0.000 1.319 264 H CB -0.320 29.443 29.762 0.002 0.000 1.379 264 H HN 0.389 nan 8.280 nan 0.000 0.501 265 H N -1.544 117.580 119.070 0.090 0.000 2.395 265 H HA -0.067 4.489 4.556 -0.002 0.000 0.299 265 H C 1.875 177.226 175.328 0.038 0.000 1.070 265 H CA 1.512 57.568 56.048 0.013 0.000 1.356 265 H CB -0.376 29.383 29.762 -0.006 0.000 1.401 265 H HN 0.369 nan 8.280 nan 0.000 0.524 266 Y N 0.802 121.140 120.300 0.064 0.000 2.200 266 Y HA -0.163 4.386 4.550 -0.002 0.000 0.290 266 Y C 2.494 178.343 175.900 -0.086 0.000 1.137 266 Y CA 1.106 59.207 58.100 0.002 0.000 1.163 266 Y CB -0.480 37.987 38.460 0.010 0.000 0.988 266 Y HN 0.186 nan 8.280 nan 0.000 0.518 267 A N 0.238 122.961 122.820 -0.161 0.000 1.883 267 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 267 A C 2.493 179.796 177.584 -0.468 0.000 1.186 267 A CA 1.937 53.648 52.037 -0.543 0.000 0.624 267 A CB -1.759 16.549 19.000 -1.152 0.000 0.822 267 A HN 0.586 nan 8.150 nan 0.000 0.444 268 G N -0.922 107.742 108.800 -0.227 0.000 2.432 268 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.219 268 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.219 268 G C 1.629 176.452 174.900 -0.128 0.000 1.135 268 G CA 1.187 46.305 45.100 0.031 0.000 0.767 268 G HN 0.484 nan 8.290 nan 0.000 0.550 269 M N 0.001 119.477 119.600 -0.207 0.000 2.132 269 M HA -0.046 4.433 4.480 -0.001 0.000 0.263 269 M C 2.673 178.836 176.300 -0.229 0.000 1.065 269 M CA 0.943 56.101 55.300 -0.237 0.000 1.122 269 M CB -0.324 32.148 32.600 -0.215 0.000 1.365 269 M HN 0.104 nan 8.290 nan 0.000 0.411 270 V N -0.319 119.409 119.914 -0.310 0.000 2.407 270 V HA -0.221 3.898 4.120 -0.001 0.000 0.248 270 V C 2.342 178.399 176.094 -0.062 0.000 1.055 270 V CA 1.943 64.116 62.300 -0.210 0.000 1.049 270 V CB -0.678 30.971 31.823 -0.291 0.000 0.662 270 V HN 0.423 nan 8.190 nan 0.000 0.455 271 S N 0.245 115.932 115.700 -0.022 0.000 2.368 271 S HA -0.156 4.313 4.470 -0.001 0.000 0.225 271 S C 1.894 176.530 174.600 0.059 0.000 1.030 271 S CA 1.600 59.870 58.200 0.115 0.000 0.999 271 S CB -0.411 62.971 63.200 0.305 0.000 0.844 271 S HN 0.455 nan 8.310 nan 0.000 0.459 272 L N 1.871 122.979 121.223 -0.190 0.000 2.046 272 L HA 0.076 4.415 4.340 -0.001 0.000 0.208 272 L C 2.110 178.923 176.870 -0.095 0.000 1.077 272 L CA 1.741 56.338 54.840 -0.404 0.000 0.747 272 L CB -0.823 40.680 42.059 -0.926 0.000 0.896 272 L HN 0.339 nan 8.230 nan 0.000 0.432 273 M N -0.820 118.764 119.600 -0.027 0.000 2.159 273 M HA -0.231 4.248 4.480 -0.001 0.000 0.263 273 M C 1.899 178.262 176.300 0.104 0.000 1.063 273 M CA 2.342 57.690 55.300 0.081 0.000 1.110 273 M CB -0.340 32.332 32.600 0.120 0.000 1.374 273 M HN 0.454 nan 8.290 nan 0.000 0.411 274 D N 0.006 120.464 120.400 0.097 0.000 2.144 274 D HA -0.241 4.398 4.640 -0.001 0.000 0.199 274 D C 1.910 178.287 176.300 0.128 0.000 0.984 274 D CA 1.648 55.727 54.000 0.132 0.000 0.834 274 D CB -0.029 40.866 40.800 0.159 0.000 0.955 274 D HN 0.564 nan 8.370 nan 0.000 0.465 275 E N -0.534 119.734 120.200 0.113 0.000 2.047 275 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 275 E C 2.023 178.569 176.600 -0.090 0.000 0.987 275 E CA 0.943 57.354 56.400 0.019 0.000 0.799 275 E CB -0.181 29.602 29.700 0.137 0.000 0.752 275 E HN 0.341 nan 8.360 nan 0.000 0.449 276 A N 0.551 123.373 122.820 0.003 0.000 1.902 276 A HA -0.153 4.167 4.320 -0.001 0.000 0.217 276 A C 2.402 179.992 177.584 0.010 0.000 1.181 276 A CA 1.531 53.582 52.037 0.025 0.000 0.623 276 A CB -0.726 18.328 19.000 0.089 0.000 0.818 276 A HN 0.231 nan 8.150 nan 0.000 0.443 277 V N -0.014 119.925 119.914 0.041 0.000 2.407 277 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 277 V C 2.795 178.821 176.094 -0.113 0.000 1.055 277 V CA 1.900 64.244 62.300 0.072 0.000 1.049 277 V CB -1.492 30.417 31.823 0.143 0.000 0.662 277 V HN 0.624 nan 8.190 nan 0.000 0.455 278 G N 0.343 108.961 108.800 -0.304 0.000 2.446 278 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.217 278 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.217 278 G C 1.412 176.097 174.900 -0.358 0.000 1.168 278 G CA 1.003 45.753 45.100 -0.582 0.000 0.771 278 G HN 0.537 nan 8.290 nan 0.000 0.551 279 N N 0.475 119.026 118.700 -0.247 0.000 2.120 279 N HA -0.105 4.634 4.740 -0.001 0.000 0.188 279 N C 2.321 177.761 175.510 -0.116 0.000 1.024 279 N CA 1.197 54.159 53.050 -0.146 0.000 0.852 279 N CB -0.677 37.763 38.487 -0.078 0.000 1.003 279 N HN 0.217 nan 8.380 nan 0.000 0.424 280 V N 1.344 121.208 119.914 -0.083 0.000 2.261 280 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 280 V C 2.554 178.581 176.094 -0.111 0.000 1.047 280 V CA 2.282 64.559 62.300 -0.038 0.000 1.015 280 V CB -1.315 30.553 31.823 0.075 0.000 0.642 280 V HN 0.527 nan 8.190 nan 0.000 0.446 281 T N -0.781 113.618 114.554 -0.259 0.000 2.788 281 T HA -0.134 4.215 4.350 -0.001 0.000 0.268 281 T C 1.957 176.407 174.700 -0.416 0.000 1.044 281 T CA 1.438 63.267 62.100 -0.452 0.000 1.139 281 T CB -0.564 67.883 68.868 -0.701 0.000 0.867 281 T HN 0.474 nan 8.240 nan 0.000 0.454 282 A N 2.032 124.667 122.820 -0.308 0.000 1.908 282 A HA 0.265 4.584 4.320 -0.001 0.000 0.218 282 A C 2.821 180.307 177.584 -0.164 0.000 1.181 282 A CA 1.976 53.869 52.037 -0.239 0.000 0.627 282 A CB -1.396 17.498 19.000 -0.177 0.000 0.818 282 A HN 0.745 nan 8.150 nan 0.000 0.445 283 A N -0.374 122.374 122.820 -0.119 0.000 1.898 283 A HA -0.004 4.315 4.320 -0.001 0.000 0.216 283 A C 2.136 179.700 177.584 -0.033 0.000 1.181 283 A CA 1.399 53.398 52.037 -0.064 0.000 0.620 283 A CB -0.588 18.385 19.000 -0.045 0.000 0.819 283 A HN 0.465 nan 8.150 nan 0.000 0.442 284 L N -0.703 120.511 121.223 -0.017 0.000 2.131 284 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 284 L C 2.547 179.486 176.870 0.116 0.000 1.092 284 L CA 1.518 56.416 54.840 0.095 0.000 0.759 284 L CB -0.328 41.896 42.059 0.274 0.000 0.903 284 L HN 0.396 nan 8.230 nan 0.000 0.435 285 K N -0.704 119.682 120.400 -0.023 0.000 2.044 285 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 285 K C 2.282 178.884 176.600 0.002 0.000 1.049 285 K CA 1.352 57.623 56.287 -0.026 0.000 0.945 285 K CB -0.126 32.239 32.500 -0.225 0.000 0.724 285 K HN 0.129 nan 8.250 nan 0.000 0.440 286 S N 1.279 116.961 115.700 -0.030 0.000 2.383 286 S HA -0.103 4.366 4.470 -0.001 0.000 0.229 286 S C 1.969 176.575 174.600 0.009 0.000 1.030 286 S CA 1.404 59.595 58.200 -0.015 0.000 1.002 286 S CB -0.141 63.042 63.200 -0.029 0.000 0.829 286 S HN 0.193 nan 8.310 nan 0.000 0.467 287 S N -0.021 115.690 115.700 0.017 0.000 2.561 287 S HA 0.272 4.741 4.470 -0.001 0.000 0.225 287 S C 1.510 176.141 174.600 0.052 0.000 0.977 287 S CA 0.544 58.761 58.200 0.027 0.000 0.926 287 S CB -0.108 63.104 63.200 0.019 0.000 0.769 287 S HN 0.776 nan 8.310 nan 0.000 0.533 288 G N 1.142 109.987 108.800 0.075 0.000 2.160 288 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.251 288 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.251 288 G C 0.527 175.513 174.900 0.142 0.000 1.008 288 G CA 0.463 45.626 45.100 0.105 0.000 0.724 288 G HN 0.507 nan 8.290 nan 0.000 0.514 289 L N -1.459 119.855 121.223 0.150 0.000 2.298 289 L HA 0.158 4.497 4.340 -0.001 0.000 0.209 289 L C 2.586 179.623 176.870 0.278 0.000 1.084 289 L CA 0.400 55.340 54.840 0.166 0.000 0.816 289 L CB -0.342 41.684 42.059 -0.056 0.000 0.967 289 L HN 0.524 nan 8.230 nan 0.000 0.460 290 W N 2.366 123.711 121.300 0.076 0.000 2.290 290 W HA -0.309 4.352 4.660 0.001 0.000 0.318 290 W C 1.876 178.457 176.519 0.103 0.000 1.248 290 W CA 1.816 59.210 57.345 0.081 0.000 1.263 290 W CB -0.206 29.275 29.460 0.035 0.000 1.147 290 W HN 0.294 nan 8.180 nan 0.000 0.494 291 N N 0.674 119.469 118.700 0.158 0.000 2.513 291 N HA -0.193 4.546 4.740 -0.001 0.000 0.187 291 N C 0.426 175.921 175.510 -0.026 0.000 1.056 291 N CA 1.421 54.496 53.050 0.043 0.000 0.907 291 N CB -0.569 37.982 38.487 0.107 0.000 0.954 291 N HN 0.188 nan 8.380 nan 0.000 0.445 292 N N -0.326 118.377 118.700 0.005 0.000 2.588 292 N HA 0.115 4.855 4.740 -0.001 0.000 0.298 292 N C -1.560 173.945 175.510 -0.007 0.000 1.718 292 N CA -0.066 52.970 53.050 -0.024 0.000 0.888 292 N CB 0.481 38.953 38.487 -0.026 0.000 1.389 292 N HN -0.223 nan 8.380 nan 0.000 0.491 293 T N -0.501 114.003 114.554 -0.083 0.000 2.863 293 T HA 0.474 4.823 4.350 -0.001 0.000 0.285 293 T C -0.759 173.833 174.700 -0.180 0.000 1.009 293 T CA -0.445 61.632 62.100 -0.038 0.000 0.989 293 T CB 2.114 71.006 68.868 0.040 0.000 1.004 293 T HN -0.183 nan 8.240 nan 0.000 0.455 294 V N 3.730 123.615 119.914 -0.049 0.000 2.326 294 V HA 0.422 4.541 4.120 -0.001 0.000 0.281 294 V C -0.785 175.355 176.094 0.075 0.000 1.015 294 V CA -0.856 61.424 62.300 -0.033 0.000 0.823 294 V CB 0.477 32.238 31.823 -0.104 0.000 1.009 294 V HN 0.842 nan 8.190 nan 0.000 0.436 295 F N 6.785 126.702 119.950 -0.055 0.000 2.405 295 F HA 0.710 5.236 4.527 -0.002 0.000 0.355 295 F C -0.321 175.442 175.800 -0.061 0.000 1.121 295 F CA -0.482 57.537 58.000 0.031 0.000 1.112 295 F CB 0.851 39.997 39.000 0.243 0.000 1.126 295 F HN 0.343 nan 8.300 nan 0.000 0.481 296 I N 7.845 127.954 120.570 -0.767 0.000 2.406 296 I HA 0.288 4.457 4.170 -0.001 0.000 0.290 296 I C -1.074 174.199 176.117 -1.408 0.000 0.999 296 I CA -0.514 60.187 61.300 -0.999 0.000 1.124 296 I CB 1.424 38.632 38.000 -1.321 0.000 1.289 296 I HN 0.503 nan 8.210 nan 0.000 0.441 297 F N 6.188 125.347 119.950 -1.319 0.000 2.469 297 F HA 0.784 5.310 4.527 -0.002 0.000 0.332 297 F C -0.046 175.271 175.800 -0.805 0.000 1.103 297 F CA -0.048 57.273 58.000 -1.131 0.000 0.979 297 F CB 1.459 39.725 39.000 -1.223 0.000 1.137 297 F HN 0.454 nan 8.300 nan 0.000 0.463 298 S N 3.694 118.712 115.700 -1.136 0.000 2.547 298 S HA 0.434 4.903 4.470 -0.001 0.000 0.270 298 S C -1.011 173.350 174.600 -0.398 0.000 1.150 298 S CA -0.536 57.391 58.200 -0.455 0.000 0.850 298 S CB 1.631 64.811 63.200 -0.032 0.000 1.118 298 S HN 0.919 nan 8.310 nan 0.000 0.461 299 T N 0.613 115.157 114.554 -0.017 0.000 2.902 299 T HA 0.362 4.712 4.350 -0.001 0.000 0.280 299 T C 0.683 175.464 174.700 0.134 0.000 0.992 299 T CA 0.113 62.245 62.100 0.053 0.000 1.015 299 T CB 0.662 69.642 68.868 0.187 0.000 1.044 299 T HN 0.779 nan 8.240 nan 0.000 0.520 300 D N 1.148 121.619 120.400 0.119 0.000 2.367 300 D HA 0.071 4.711 4.640 -0.001 0.000 0.207 300 D C 0.434 176.790 176.300 0.093 0.000 1.034 300 D CA 0.066 54.133 54.000 0.112 0.000 0.861 300 D CB -0.091 40.763 40.800 0.089 0.000 0.943 300 D HN 0.768 nan 8.370 nan 0.000 0.515 301 N N -1.554 117.215 118.700 0.115 0.000 3.501 301 N HA 0.193 4.932 4.740 -0.001 0.000 0.235 301 N C -0.200 175.395 175.510 0.142 0.000 1.442 301 N CA -0.723 52.388 53.050 0.101 0.000 0.872 301 N CB 0.637 39.152 38.487 0.047 0.000 1.414 301 N HN -0.053 nan 8.380 nan 0.000 0.485 302 G N -0.834 108.048 108.800 0.137 0.000 2.636 302 G HA2 0.433 4.392 3.960 -0.001 0.000 0.246 302 G HA3 0.433 4.392 3.960 -0.001 0.000 0.246 302 G C 0.602 175.594 174.900 0.153 0.000 1.216 302 G CA 0.047 45.250 45.100 0.172 0.000 0.854 302 G HN 0.678 nan 8.290 nan 0.000 0.572 303 G N -0.895 108.005 108.800 0.166 0.000 2.554 303 G HA2 0.398 4.357 3.960 -0.001 0.000 0.238 303 G HA3 0.398 4.357 3.960 -0.001 0.000 0.238 303 G C -0.053 174.864 174.900 0.028 0.000 1.259 303 G CA -0.110 45.048 45.100 0.098 0.000 0.843 303 G HN 0.646 nan 8.290 nan 0.000 0.582 304 Q N -0.002 119.770 119.800 -0.048 0.000 2.400 304 Q HA 0.299 4.638 4.340 -0.001 0.000 0.255 304 Q C 1.369 177.254 176.000 -0.192 0.000 1.008 304 Q CA 0.048 55.805 55.803 -0.077 0.000 0.841 304 Q CB 0.856 29.571 28.738 -0.039 0.000 1.220 304 Q HN 0.592 nan 8.270 nan 0.000 0.474 305 T N 1.233 115.628 114.554 -0.264 0.000 2.929 305 T HA -0.127 4.222 4.350 -0.001 0.000 0.271 305 T C 1.309 175.843 174.700 -0.277 0.000 1.085 305 T CA 1.190 63.091 62.100 -0.332 0.000 1.125 305 T CB -0.148 68.366 68.868 -0.590 0.000 0.874 305 T HN 0.619 nan 8.240 nan 0.000 0.494 306 L N 0.209 121.289 121.223 -0.238 0.000 2.465 306 L HA 0.292 4.631 4.340 -0.001 0.000 0.224 306 L C 2.243 179.044 176.870 -0.114 0.000 1.145 306 L CA 0.702 55.447 54.840 -0.159 0.000 0.834 306 L CB -0.259 41.726 42.059 -0.124 0.000 0.944 306 L HN 0.410 nan 8.230 nan 0.000 0.451 307 A N -0.802 121.935 122.820 -0.137 0.000 2.749 307 A HA 0.538 4.857 4.320 -0.001 0.000 0.299 307 A C 1.302 178.766 177.584 -0.199 0.000 1.105 307 A CA 0.331 52.306 52.037 -0.104 0.000 0.987 307 A CB -0.062 18.900 19.000 -0.063 0.000 1.180 307 A HN 0.379 nan 8.150 nan 0.000 0.528 308 G N -0.796 107.858 108.800 -0.243 0.000 2.212 308 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.266 308 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.266 308 G C 0.896 175.303 174.900 -0.821 0.000 0.978 308 G CA 0.445 45.331 45.100 -0.358 0.000 0.632 308 G HN 1.604 nan 8.290 nan 0.000 0.537 309 G N -0.424 107.841 108.800 -0.891 0.000 2.572 309 G HA2 0.494 4.453 3.960 -0.001 0.000 0.261 309 G HA3 0.494 4.453 3.960 -0.001 0.000 0.261 309 G C -0.354 174.393 174.900 -0.255 0.000 1.197 309 G CA 0.388 45.019 45.100 -0.781 0.000 0.870 309 G HN 0.724 nan 8.290 nan 0.000 0.548 310 N N -1.441 117.242 118.700 -0.029 0.000 2.308 310 N HA 0.276 5.015 4.740 -0.001 0.000 0.283 310 N C -0.218 175.448 175.510 0.260 0.000 1.105 310 N CA -0.743 52.383 53.050 0.127 0.000 0.840 310 N CB 1.506 40.084 38.487 0.150 0.000 1.633 310 N HN 0.407 nan 8.380 nan 0.000 0.476 311 N N 0.355 119.253 118.700 0.329 0.000 2.159 311 N HA 0.110 4.849 4.740 -0.001 0.000 0.217 311 N C -0.838 174.932 175.510 0.433 0.000 1.223 311 N CA -0.578 52.705 53.050 0.387 0.000 0.896 311 N CB 0.436 39.093 38.487 0.284 0.000 1.064 311 N HN 0.452 nan 8.380 nan 0.000 0.518 312 W N 4.215 125.659 121.300 0.239 0.000 2.377 312 W HA -0.001 4.659 4.660 -0.001 0.000 0.341 312 W C -1.810 174.862 176.519 0.255 0.000 1.240 312 W CA -0.442 57.025 57.345 0.203 0.000 1.311 312 W CB 0.766 30.316 29.460 0.150 0.000 1.175 312 W HN 0.092 nan 8.180 nan 0.000 0.571 313 P HA 0.017 nan 4.420 nan 0.000 0.257 313 P C 0.418 177.479 177.300 -0.398 0.000 1.281 313 P CA 0.434 62.945 63.100 -0.981 0.000 0.826 313 P CB 0.188 31.293 31.700 -0.992 0.000 1.237 314 L N 0.313 121.446 121.223 -0.150 0.000 2.482 314 L HA 0.169 4.508 4.340 -0.001 0.000 0.273 314 L C 1.337 178.187 176.870 -0.033 0.000 1.228 314 L CA -0.238 54.518 54.840 -0.140 0.000 0.827 314 L CB 0.106 42.000 42.059 -0.275 0.000 1.099 314 L HN -0.044 nan 8.230 nan 0.000 0.494 315 R N 0.458 120.813 120.500 -0.242 0.000 2.459 315 R HA 0.502 4.841 4.340 -0.001 0.000 0.281 315 R C 0.266 176.298 176.300 -0.448 0.000 1.050 315 R CA 0.679 56.316 56.100 -0.771 0.000 1.055 315 R CB 1.005 30.564 30.300 -1.236 0.000 1.045 315 R HN 0.853 nan 8.270 nan 0.000 0.495 316 G N 2.134 110.647 108.800 -0.479 0.000 2.632 316 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.224 316 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.224 316 G C -1.031 174.017 174.900 0.247 0.000 1.341 316 G CA 0.088 45.162 45.100 -0.044 0.000 0.880 316 G HN 0.904 nan 8.290 nan 0.000 0.566 317 R N -1.817 118.837 120.500 0.256 0.000 3.061 317 R HA 0.705 5.044 4.340 -0.001 0.000 0.265 317 R C -0.021 176.395 176.300 0.194 0.000 1.003 317 R CA -0.408 55.809 56.100 0.195 0.000 0.871 317 R CB 0.401 30.758 30.300 0.095 0.000 1.458 317 R HN 0.771 nan 8.270 nan 0.000 0.431 318 K N -0.165 120.340 120.400 0.174 0.000 2.469 318 K HA -0.071 4.248 4.320 -0.001 0.000 0.274 318 K C -0.640 176.193 176.600 0.388 0.000 0.983 318 K CA 1.090 57.499 56.287 0.203 0.000 0.974 318 K CB 0.152 32.760 32.500 0.180 0.000 0.913 318 K HN 0.635 nan 8.250 nan 0.000 0.493 319 W N -0.153 121.209 121.300 0.102 0.000 0.883 319 W HA -0.311 4.348 4.660 -0.001 0.000 0.225 319 W C 0.342 176.973 176.519 0.186 0.000 0.945 319 W CA 1.131 58.575 57.345 0.163 0.000 0.357 319 W CB -1.843 27.723 29.460 0.176 0.000 1.943 319 W HN 0.673 nan 8.180 nan 0.000 1.179 320 S N 0.394 116.276 115.700 0.304 0.000 2.690 320 S HA 0.699 5.168 4.470 -0.001 0.000 0.291 320 S C 0.249 174.781 174.600 -0.113 0.000 1.138 320 S CA -0.689 57.566 58.200 0.092 0.000 1.013 320 S CB 1.669 65.005 63.200 0.227 0.000 1.053 320 S HN 0.165 nan 8.310 nan 0.000 0.539 321 L N 0.216 121.189 121.223 -0.416 0.000 2.629 321 L HA 0.299 4.638 4.340 -0.001 0.000 0.230 321 L C -0.144 176.373 176.870 -0.589 0.000 1.151 321 L CA -0.484 54.036 54.840 -0.533 0.000 0.924 321 L CB -0.252 41.393 42.059 -0.690 0.000 1.137 321 L HN 0.643 nan 8.230 nan 0.000 0.457 322 W N 0.470 121.570 121.300 -0.334 0.000 2.093 322 W HA 0.046 4.705 4.660 -0.001 0.000 0.352 322 W C 1.726 178.067 176.519 -0.296 0.000 1.294 322 W CA -0.679 56.446 57.345 -0.367 0.000 1.290 322 W CB 0.560 29.786 29.460 -0.391 0.000 1.149 322 W HN -0.072 nan 8.180 nan 0.000 0.606 323 E N 0.981 121.164 120.200 -0.028 0.000 2.130 323 E HA -0.183 4.167 4.350 -0.001 0.000 0.196 323 E C 2.252 178.797 176.600 -0.091 0.000 0.998 323 E CA 1.654 58.001 56.400 -0.089 0.000 0.806 323 E CB -0.852 28.747 29.700 -0.168 0.000 0.738 323 E HN 0.799 nan 8.360 nan 0.000 0.459 324 G N 0.360 109.131 108.800 -0.049 0.000 2.479 324 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.220 324 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.220 324 G C 1.507 176.459 174.900 0.086 0.000 1.115 324 G CA 0.986 46.097 45.100 0.020 0.000 0.757 324 G HN 0.406 nan 8.290 nan 0.000 0.560 325 G N -0.310 108.535 108.800 0.074 0.000 2.709 325 G HA2 0.167 4.126 3.960 -0.001 0.000 0.208 325 G HA3 0.167 4.126 3.960 -0.001 0.000 0.208 325 G C 1.578 176.510 174.900 0.054 0.000 1.129 325 G CA 1.200 46.348 45.100 0.081 0.000 0.793 325 G HN 0.648 nan 8.290 nan 0.000 0.524 326 V N -2.355 117.575 119.914 0.027 0.000 3.212 326 V HA 0.436 4.555 4.120 -0.001 0.000 0.244 326 V C 1.057 177.232 176.094 0.136 0.000 1.151 326 V CA -0.116 62.236 62.300 0.087 0.000 1.119 326 V CB -0.228 31.605 31.823 0.017 0.000 0.838 326 V HN 0.096 nan 8.190 nan 0.000 0.470 327 R N 1.620 122.118 120.500 -0.004 0.000 2.288 327 R HA 0.520 4.859 4.340 -0.001 0.000 0.330 327 R C 0.233 176.535 176.300 0.002 0.000 1.069 327 R CA 0.515 56.396 56.100 -0.366 0.000 0.941 327 R CB 0.430 30.387 30.300 -0.571 0.000 0.998 327 R HN 0.612 nan 8.270 nan 0.000 0.452 328 G N 2.138 111.024 108.800 0.142 0.000 2.489 328 G HA2 0.373 4.332 3.960 -0.001 0.000 0.327 328 G HA3 0.373 4.332 3.960 -0.001 0.000 0.327 328 G C -0.855 174.493 174.900 0.745 0.000 1.189 328 G CA -0.665 44.720 45.100 0.474 0.000 0.962 328 G HN 0.433 nan 8.290 nan 0.000 0.486 329 V N 0.440 120.711 119.914 0.596 0.000 2.521 329 V HA 0.583 4.702 4.120 -0.001 0.000 0.286 329 V C 0.936 177.344 176.094 0.525 0.000 1.034 329 V CA 1.058 63.641 62.300 0.473 0.000 1.045 329 V CB 0.503 32.526 31.823 0.333 0.000 0.974 329 V HN 1.160 nan 8.190 nan 0.000 0.480 330 G N 4.558 113.663 108.800 0.510 0.000 2.702 330 G HA2 0.714 4.673 3.960 -0.001 0.000 0.296 330 G HA3 0.714 4.673 3.960 -0.001 0.000 0.296 330 G C -1.490 173.573 174.900 0.272 0.000 1.463 330 G CA -0.559 44.694 45.100 0.256 0.000 0.890 330 G HN 0.930 nan 8.290 nan 0.000 0.534 331 F N -0.834 119.177 119.950 0.102 0.000 2.741 331 F HA 0.800 5.326 4.527 -0.002 0.000 0.311 331 F C -1.624 174.212 175.800 0.060 0.000 1.149 331 F CA -1.534 56.498 58.000 0.054 0.000 0.930 331 F CB 1.356 40.343 39.000 -0.022 0.000 1.312 331 F HN 0.474 nan 8.300 nan 0.000 0.450 332 V N 1.853 121.998 119.914 0.386 0.000 2.487 332 V HA 0.857 4.976 4.120 -0.001 0.000 0.298 332 V C -0.451 175.901 176.094 0.430 0.000 1.028 332 V CA -0.512 61.977 62.300 0.314 0.000 0.860 332 V CB 1.273 33.271 31.823 0.291 0.000 0.991 332 V HN 1.211 nan 8.190 nan 0.000 0.427 333 A N 3.553 126.673 122.820 0.499 0.000 2.311 333 A HA 0.899 5.218 4.320 -0.001 0.000 0.306 333 A C -0.304 177.406 177.584 0.210 0.000 1.189 333 A CA -0.432 51.877 52.037 0.453 0.000 0.791 333 A CB 1.480 20.890 19.000 0.683 0.000 1.172 333 A HN 0.990 nan 8.150 nan 0.000 0.481 334 S N 2.886 118.633 115.700 0.079 0.000 2.579 334 S HA 0.540 5.009 4.470 -0.001 0.000 0.290 334 S C -2.791 171.766 174.600 -0.071 0.000 1.123 334 S CA -0.574 57.520 58.200 -0.176 0.000 0.894 334 S CB 1.483 64.676 63.200 -0.013 0.000 1.095 334 S HN 0.216 nan 8.310 nan 0.000 0.450 335 P HA 0.116 nan 4.420 nan 0.000 0.228 335 P C 0.892 178.206 177.300 0.023 0.000 1.151 335 P CA 0.617 63.694 63.100 -0.037 0.000 0.770 335 P CB 0.045 31.698 31.700 -0.077 0.000 0.786 336 L N -2.123 119.130 121.223 0.049 0.000 2.554 336 L HA 0.048 4.387 4.340 -0.001 0.000 0.226 336 L C 0.865 177.889 176.870 0.258 0.000 1.137 336 L CA -0.073 54.859 54.840 0.153 0.000 0.863 336 L CB -0.522 41.633 42.059 0.159 0.000 0.985 336 L HN -0.023 nan 8.230 nan 0.000 0.451 337 L N 0.769 122.107 121.223 0.191 0.000 2.410 337 L HA 0.021 4.360 4.340 -0.001 0.000 0.273 337 L C 1.689 178.574 176.870 0.025 0.000 1.152 337 L CA 0.185 55.071 54.840 0.076 0.000 0.855 337 L CB 0.734 42.814 42.059 0.036 0.000 1.129 337 L HN 0.077 nan 8.230 nan 0.000 0.463 338 K N 2.751 123.131 120.400 -0.033 0.000 2.025 338 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 338 K C 0.319 176.904 176.600 -0.024 0.000 1.049 338 K CA 1.218 57.492 56.287 -0.022 0.000 0.933 338 K CB 0.258 32.729 32.500 -0.049 0.000 0.714 338 K HN 0.740 nan 8.250 nan 0.000 0.438 339 Q N 1.028 120.798 119.800 -0.050 0.000 2.333 339 Q HA 0.379 4.719 4.340 -0.001 0.000 0.267 339 Q C -1.412 174.574 176.000 -0.024 0.000 1.012 339 Q CA -0.788 54.995 55.803 -0.033 0.000 0.824 339 Q CB 2.098 30.811 28.738 -0.041 0.000 1.290 339 Q HN -0.131 nan 8.270 nan 0.000 0.449 340 K N 0.728 121.124 120.400 -0.007 0.000 2.328 340 K HA 0.635 4.955 4.320 -0.001 0.000 0.246 340 K C 0.021 176.616 176.600 -0.009 0.000 0.955 340 K CA -0.702 55.586 56.287 0.002 0.000 0.817 340 K CB 1.853 34.367 32.500 0.023 0.000 1.208 340 K HN 0.930 nan 8.250 nan 0.000 0.432 341 G N 0.246 109.034 108.800 -0.021 0.000 2.225 341 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.264 341 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.264 341 G C -0.252 174.631 174.900 -0.029 0.000 1.060 341 G CA 0.313 45.392 45.100 -0.035 0.000 0.833 341 G HN 0.534 nan 8.290 nan 0.000 0.498 342 V N -3.700 116.198 119.914 -0.027 0.000 2.962 342 V HA 0.889 5.008 4.120 -0.001 0.000 0.313 342 V C -0.073 176.017 176.094 -0.006 0.000 1.099 342 V CA -1.468 60.824 62.300 -0.014 0.000 0.971 342 V CB 2.171 33.987 31.823 -0.012 0.000 1.028 342 V HN 0.440 nan 8.190 nan 0.000 0.430 343 K N 3.238 123.647 120.400 0.015 0.000 2.281 343 K HA 0.355 4.674 4.320 -0.001 0.000 0.272 343 K C -0.379 176.254 176.600 0.056 0.000 1.048 343 K CA -0.413 55.901 56.287 0.046 0.000 0.898 343 K CB 0.665 33.207 32.500 0.070 0.000 1.128 343 K HN 0.900 nan 8.250 nan 0.000 0.460 344 N N 3.849 122.588 118.700 0.065 0.000 2.422 344 N HA 0.111 4.850 4.740 -0.001 0.000 0.264 344 N C -0.337 175.230 175.510 0.096 0.000 1.063 344 N CA 0.002 53.088 53.050 0.061 0.000 0.959 344 N CB 0.836 39.350 38.487 0.046 0.000 1.087 344 N HN 0.622 nan 8.380 nan 0.000 0.483 345 R N 1.636 122.183 120.500 0.078 0.000 2.507 345 R HA 0.170 4.509 4.340 -0.001 0.000 0.298 345 R C -0.402 175.947 176.300 0.080 0.000 0.999 345 R CA -0.320 55.835 56.100 0.092 0.000 1.082 345 R CB 0.584 30.926 30.300 0.070 0.000 1.246 345 R HN 0.492 nan 8.270 nan 0.000 0.553 346 E N 1.340 121.582 120.200 0.070 0.000 2.331 346 E HA 0.037 4.387 4.350 -0.001 0.000 0.272 346 E C -0.385 176.272 176.600 0.094 0.000 1.036 346 E CA -0.719 55.711 56.400 0.051 0.000 0.864 346 E CB 1.349 31.059 29.700 0.016 0.000 1.035 346 E HN -0.059 nan 8.360 nan 0.000 0.408 347 L N 4.420 125.690 121.223 0.077 0.000 2.562 347 L HA 0.127 4.467 4.340 -0.001 0.000 0.271 347 L C -0.546 176.406 176.870 0.136 0.000 1.167 347 L CA 0.816 55.733 54.840 0.128 0.000 0.917 347 L CB -0.366 41.725 42.059 0.054 0.000 1.187 347 L HN 0.381 nan 8.230 nan 0.000 0.482 348 I N 4.689 125.406 120.570 0.244 0.000 2.828 348 I HA 0.427 4.596 4.170 -0.001 0.000 0.302 348 I C -0.660 175.669 176.117 0.353 0.000 1.101 348 I CA -0.813 60.628 61.300 0.235 0.000 1.031 348 I CB 2.087 40.200 38.000 0.188 0.000 1.231 348 I HN 0.568 nan 8.210 nan 0.000 0.427 349 H N 4.099 123.236 119.070 0.112 0.000 2.865 349 H HA 0.414 4.969 4.556 -0.002 0.000 0.372 349 H C 0.225 175.562 175.328 0.014 0.000 1.173 349 H CA -0.688 55.395 56.048 0.057 0.000 1.147 349 H CB 2.912 32.727 29.762 0.089 0.000 1.805 349 H HN 0.706 nan 8.280 nan 0.000 0.553 350 I N 2.226 122.453 120.570 -0.572 0.000 2.530 350 I HA -0.246 3.923 4.170 -0.001 0.000 0.257 350 I C 1.776 177.831 176.117 -0.103 0.000 1.179 350 I CA 1.671 62.895 61.300 -0.128 0.000 1.440 350 I CB 0.036 37.983 38.000 -0.087 0.000 1.087 350 I HN 0.529 nan 8.210 nan 0.000 0.440 351 S N -0.993 114.595 115.700 -0.186 0.000 2.561 351 S HA -0.069 4.400 4.470 -0.001 0.000 0.225 351 S C 1.381 175.964 174.600 -0.029 0.000 0.977 351 S CA 0.499 58.701 58.200 0.003 0.000 0.926 351 S CB -0.248 63.047 63.200 0.157 0.000 0.769 351 S HN 0.431 nan 8.310 nan 0.000 0.533 352 D N 0.951 121.298 120.400 -0.088 0.000 2.289 352 D HA 0.039 4.679 4.640 -0.001 0.000 0.207 352 D C 1.097 177.349 176.300 -0.080 0.000 0.966 352 D CA 0.466 54.403 54.000 -0.105 0.000 0.868 352 D CB -0.310 40.411 40.800 -0.132 0.000 0.943 352 D HN 0.619 nan 8.370 nan 0.000 0.514 353 W N 1.454 122.813 121.300 0.099 0.000 2.342 353 W HA -0.083 4.576 4.660 -0.003 0.000 0.297 353 W C 2.323 178.818 176.519 -0.041 0.000 1.213 353 W CA -0.072 57.316 57.345 0.071 0.000 1.251 353 W CB -0.490 29.023 29.460 0.090 0.000 1.136 353 W HN -0.016 nan 8.180 nan 0.000 0.526 354 L N 1.737 123.026 121.223 0.109 0.000 1.955 354 L HA -0.156 4.183 4.340 -0.001 0.000 0.213 354 L C -0.219 176.618 176.870 -0.055 0.000 1.072 354 L CA 1.738 56.556 54.840 -0.038 0.000 0.755 354 L CB -1.690 40.312 42.059 -0.094 0.000 0.888 354 L HN -0.236 nan 8.230 nan 0.000 0.432 355 P HA -0.110 nan 4.420 nan 0.000 0.220 355 P C 1.344 178.643 177.300 -0.002 0.000 1.148 355 P CA 1.557 64.631 63.100 -0.044 0.000 0.803 355 P CB -0.100 31.571 31.700 -0.047 0.000 0.782 356 T N 0.757 115.350 114.554 0.064 0.000 2.770 356 T HA 0.000 4.350 4.350 -0.001 0.000 0.263 356 T C 1.970 176.696 174.700 0.043 0.000 1.039 356 T CA 0.971 63.148 62.100 0.128 0.000 1.142 356 T CB -0.671 68.361 68.868 0.272 0.000 0.868 356 T HN 0.066 nan 8.240 nan 0.000 0.435 357 L N 0.918 122.154 121.223 0.022 0.000 2.141 357 L HA -0.024 4.315 4.340 -0.001 0.000 0.209 357 L C 2.626 179.340 176.870 -0.259 0.000 1.094 357 L CA 0.723 55.486 54.840 -0.128 0.000 0.763 357 L CB -0.707 41.251 42.059 -0.167 0.000 0.908 357 L HN 0.147 nan 8.230 nan 0.000 0.437 358 V N 0.254 120.027 119.914 -0.235 0.000 2.427 358 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 358 V C 2.550 178.503 176.094 -0.234 0.000 1.051 358 V CA 1.812 63.947 62.300 -0.274 0.000 1.048 358 V CB -0.435 31.256 31.823 -0.220 0.000 0.666 358 V HN 0.369 nan 8.190 nan 0.000 0.456 359 K N 0.340 120.642 120.400 -0.162 0.000 2.062 359 K HA -0.035 4.284 4.320 -0.001 0.000 0.205 359 K C 1.937 178.441 176.600 -0.160 0.000 1.051 359 K CA 1.382 57.589 56.287 -0.134 0.000 0.941 359 K CB -0.405 32.064 32.500 -0.051 0.000 0.719 359 K HN 0.363 nan 8.250 nan 0.000 0.440 360 L N 0.145 121.245 121.223 -0.205 0.000 2.131 360 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 360 L C 2.001 178.762 176.870 -0.183 0.000 1.092 360 L CA 1.190 55.865 54.840 -0.275 0.000 0.759 360 L CB -0.400 41.423 42.059 -0.393 0.000 0.903 360 L HN 0.264 nan 8.230 nan 0.000 0.435 361 A N -0.777 121.917 122.820 -0.210 0.000 2.259 361 A HA -0.000 4.319 4.320 -0.001 0.000 0.208 361 A C 1.105 178.640 177.584 -0.081 0.000 1.201 361 A CA -0.113 51.833 52.037 -0.152 0.000 0.824 361 A CB -0.312 18.326 19.000 -0.602 0.000 0.838 361 A HN 0.444 nan 8.150 nan 0.000 0.485 362 R N -2.023 118.394 120.500 -0.138 0.000 3.863 362 R HA -0.197 4.143 4.340 -0.001 0.000 0.313 362 R C 0.770 176.893 176.300 -0.294 0.000 1.202 362 R CA 0.539 56.544 56.100 -0.159 0.000 0.852 362 R CB -2.458 27.796 30.300 -0.075 0.000 1.292 362 R HN 0.632 nan 8.270 nan 0.000 0.519 363 G N -0.698 107.894 108.800 -0.347 0.000 2.543 363 G HA2 0.527 4.486 3.960 -0.001 0.000 0.267 363 G HA3 0.527 4.486 3.960 -0.001 0.000 0.267 363 G C -0.573 173.874 174.900 -0.755 0.000 1.406 363 G CA -0.506 44.320 45.100 -0.457 0.000 1.048 363 G HN 0.327 nan 8.290 nan 0.000 0.548 364 H N -2.440 116.583 119.070 -0.079 0.000 2.851 364 H HA 0.397 4.953 4.556 -0.001 0.000 0.372 364 H C 0.369 175.645 175.328 -0.086 0.000 1.158 364 H CA -0.132 55.874 56.048 -0.070 0.000 1.159 364 H CB 1.987 31.718 29.762 -0.053 0.000 1.757 364 H HN 0.494 nan 8.280 nan 0.000 0.546 365 T N -1.597 112.976 114.554 0.033 0.000 3.272 365 T HA 0.093 4.442 4.350 -0.001 0.000 0.250 365 T C 0.251 174.938 174.700 -0.022 0.000 1.082 365 T CA -0.587 61.495 62.100 -0.029 0.000 0.968 365 T CB -0.937 67.898 68.868 -0.053 0.000 1.015 365 T HN 0.344 nan 8.240 nan 0.000 0.563 366 N N 1.709 120.413 118.700 0.007 0.000 2.458 366 N HA 0.447 5.186 4.740 -0.001 0.000 0.258 366 N C 1.410 176.900 175.510 -0.033 0.000 1.219 366 N CA 1.428 54.467 53.050 -0.018 0.000 0.902 366 N CB 0.414 38.888 38.487 -0.023 0.000 1.076 366 N HN 0.421 nan 8.380 nan 0.000 0.455 367 G N 0.027 108.803 108.800 -0.040 0.000 2.259 367 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.217 367 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.217 367 G C 0.304 175.173 174.900 -0.052 0.000 1.001 367 G CA 0.229 45.302 45.100 -0.045 0.000 0.627 367 G HN 0.849 nan 8.290 nan 0.000 0.501 368 T N -0.166 114.353 114.554 -0.058 0.000 2.899 368 T HA 0.650 5.000 4.350 -0.001 0.000 0.284 368 T C 0.408 175.072 174.700 -0.061 0.000 1.004 368 T CA -0.040 62.020 62.100 -0.067 0.000 1.043 368 T CB 1.932 70.751 68.868 -0.082 0.000 1.013 368 T HN 0.454 nan 8.240 nan 0.000 0.518 369 K N 1.417 121.779 120.400 -0.062 0.000 2.102 369 K HA 0.320 4.639 4.320 -0.001 0.000 0.244 369 K C -2.548 174.009 176.600 -0.072 0.000 1.021 369 K CA -1.871 54.382 56.287 -0.057 0.000 0.913 369 K CB -0.189 32.282 32.500 -0.049 0.000 1.062 369 K HN 0.391 nan 8.250 nan 0.000 0.485 370 P HA -0.113 nan 4.420 nan 0.000 0.255 370 P C -0.758 176.465 177.300 -0.129 0.000 1.161 370 P CA 0.652 63.701 63.100 -0.086 0.000 0.768 370 P CB 0.173 31.835 31.700 -0.063 0.000 0.746 371 L N 3.695 124.820 121.223 -0.163 0.000 2.417 371 L HA 0.149 4.489 4.340 -0.001 0.000 0.268 371 L C 1.247 177.913 176.870 -0.339 0.000 1.158 371 L CA 0.181 54.883 54.840 -0.230 0.000 0.819 371 L CB 0.514 42.441 42.059 -0.220 0.000 1.112 371 L HN 0.337 nan 8.230 nan 0.000 0.458 372 D N 1.604 121.736 120.400 -0.445 0.000 2.395 372 D HA 0.176 4.815 4.640 -0.001 0.000 0.213 372 D C 0.560 176.468 176.300 -0.653 0.000 1.110 372 D CA 0.196 53.800 54.000 -0.659 0.000 0.835 372 D CB 1.118 41.181 40.800 -1.228 0.000 0.965 372 D HN 0.684 nan 8.370 nan 0.000 0.505 373 G N -0.280 108.179 108.800 -0.568 0.000 2.735 373 G HA2 0.616 4.575 3.960 -0.001 0.000 0.301 373 G HA3 0.616 4.575 3.960 -0.001 0.000 0.301 373 G C -1.071 173.394 174.900 -0.725 0.000 1.279 373 G CA -0.524 44.296 45.100 -0.467 0.000 1.019 373 G HN -0.070 nan 8.290 nan 0.000 0.497 374 F N -1.356 118.571 119.950 -0.040 0.000 2.620 374 F HA 0.389 4.913 4.527 -0.004 0.000 0.320 374 F C -0.530 175.261 175.800 -0.015 0.000 1.069 374 F CA -0.992 56.994 58.000 -0.024 0.000 0.953 374 F CB 2.149 41.141 39.000 -0.014 0.000 1.322 374 F HN 0.348 nan 8.300 nan 0.000 0.479 375 D N 1.137 121.662 120.400 0.208 0.000 2.336 375 D HA 0.289 4.928 4.640 -0.001 0.000 0.249 375 D C 0.237 176.638 176.300 0.168 0.000 1.213 375 D CA -0.049 54.044 54.000 0.155 0.000 0.870 375 D CB 1.171 42.048 40.800 0.128 0.000 1.076 375 D HN 0.396 nan 8.370 nan 0.000 0.483 376 V N 3.231 123.237 119.914 0.153 0.000 3.121 376 V HA 0.217 4.336 4.120 -0.001 0.000 0.344 376 V C 1.491 177.678 176.094 0.155 0.000 1.390 376 V CA -0.766 61.596 62.300 0.104 0.000 1.177 376 V CB -0.514 31.321 31.823 0.019 0.000 1.163 376 V HN 0.642 nan 8.190 nan 0.000 0.484 377 W N 1.723 123.054 121.300 0.052 0.000 2.379 377 W HA -0.123 4.535 4.660 -0.003 0.000 0.307 377 W C 2.032 178.581 176.519 0.049 0.000 1.200 377 W CA 1.811 59.197 57.345 0.067 0.000 1.297 377 W CB 0.180 29.680 29.460 0.067 0.000 1.140 377 W HN 0.397 nan 8.180 nan 0.000 0.507 378 K N -0.098 120.276 120.400 -0.043 0.000 2.147 378 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 378 K C 1.884 178.375 176.600 -0.181 0.000 1.049 378 K CA 1.926 58.126 56.287 -0.145 0.000 0.936 378 K CB -0.195 32.297 32.500 -0.013 0.000 0.722 378 K HN -0.024 nan 8.250 nan 0.000 0.446 379 T N 1.314 115.798 114.554 -0.117 0.000 2.737 379 T HA -0.066 4.284 4.350 -0.001 0.000 0.265 379 T C 1.820 176.435 174.700 -0.141 0.000 1.038 379 T CA 1.341 63.381 62.100 -0.099 0.000 1.144 379 T CB -0.063 68.775 68.868 -0.050 0.000 0.866 379 T HN 0.173 nan 8.240 nan 0.000 0.434 380 I N 0.602 121.057 120.570 -0.192 0.000 2.233 380 I HA -0.124 4.046 4.170 -0.001 0.000 0.243 380 I C 2.780 178.676 176.117 -0.368 0.000 1.093 380 I CA 0.942 62.115 61.300 -0.212 0.000 1.380 380 I CB -0.330 37.590 38.000 -0.135 0.000 1.067 380 I HN 0.226 nan 8.210 nan 0.000 0.413 381 S N 0.403 115.681 115.700 -0.704 0.000 2.357 381 S HA -0.128 4.341 4.470 -0.001 0.000 0.221 381 S C 1.751 176.150 174.600 -0.335 0.000 1.031 381 S CA 1.346 59.136 58.200 -0.683 0.000 0.982 381 S CB -0.082 62.426 63.200 -1.154 0.000 0.853 381 S HN 0.433 nan 8.310 nan 0.000 0.458 382 E N -0.617 119.417 120.200 -0.277 0.000 2.476 382 E HA 0.270 4.619 4.350 -0.001 0.000 0.199 382 E C 1.041 177.577 176.600 -0.107 0.000 1.021 382 E CA 0.326 56.636 56.400 -0.150 0.000 0.907 382 E CB 0.337 29.968 29.700 -0.115 0.000 0.974 382 E HN 0.590 nan 8.360 nan 0.000 0.489 383 G N 2.509 111.239 108.800 -0.116 0.000 2.143 383 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.248 383 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.248 383 G C 0.388 175.254 174.900 -0.057 0.000 0.991 383 G CA 0.501 45.557 45.100 -0.072 0.000 0.689 383 G HN 0.367 nan 8.290 nan 0.000 0.522 384 S N -0.276 115.385 115.700 -0.065 0.000 2.600 384 S HA 0.604 5.073 4.470 -0.001 0.000 0.265 384 S C -2.030 172.542 174.600 -0.047 0.000 1.325 384 S CA -1.267 56.904 58.200 -0.050 0.000 1.002 384 S CB 1.431 64.603 63.200 -0.047 0.000 0.921 384 S HN 0.120 nan 8.310 nan 0.000 0.554 385 P HA 0.079 nan 4.420 nan 0.000 0.261 385 P C -0.142 177.117 177.300 -0.067 0.000 1.183 385 P CA 0.273 63.343 63.100 -0.051 0.000 0.761 385 P CB 0.317 31.987 31.700 -0.050 0.000 0.785 386 S N 4.636 120.291 115.700 -0.076 0.000 2.560 386 S HA 0.123 4.592 4.470 -0.001 0.000 0.284 386 S C -1.284 173.208 174.600 -0.180 0.000 1.327 386 S CA -0.929 57.209 58.200 -0.103 0.000 1.055 386 S CB -0.164 62.986 63.200 -0.084 0.000 0.868 386 S HN 0.280 nan 8.310 nan 0.000 0.506 387 P HA 0.082 nan 4.420 nan 0.000 0.233 387 P C -0.050 176.737 177.300 -0.855 0.000 1.167 387 P CA 0.464 63.308 63.100 -0.426 0.000 0.770 387 P CB 0.142 31.643 31.700 -0.331 0.000 0.837 388 R N 1.502 121.582 120.500 -0.700 0.000 2.229 388 R HA 0.321 4.661 4.340 -0.001 0.000 0.332 388 R C 0.835 176.970 176.300 -0.274 0.000 0.989 388 R CA -0.279 55.450 56.100 -0.619 0.000 0.842 388 R CB 0.270 30.411 30.300 -0.265 0.000 1.119 388 R HN 0.072 nan 8.270 nan 0.000 0.456 389 I N -0.427 120.014 120.570 -0.215 0.000 4.288 389 I HA 0.410 4.580 4.170 -0.001 0.000 0.331 389 I C -0.024 176.019 176.117 -0.124 0.000 1.322 389 I CA -0.243 60.952 61.300 -0.175 0.000 1.149 389 I CB 0.513 38.394 38.000 -0.198 0.000 1.112 389 I HN 0.455 nan 8.210 nan 0.000 0.403 390 E N 1.735 121.943 120.200 0.013 0.000 2.340 390 E HA 0.638 4.988 4.350 -0.001 0.000 0.273 390 E C -1.879 174.753 176.600 0.054 0.000 0.891 390 E CA -0.924 55.545 56.400 0.115 0.000 0.757 390 E CB 2.934 32.830 29.700 0.327 0.000 1.231 390 E HN 0.182 nan 8.360 nan 0.000 0.439 391 L N 4.565 125.721 121.223 -0.111 0.000 2.516 391 L HA 0.407 4.747 4.340 -0.001 0.000 0.267 391 L C -2.187 174.314 176.870 -0.615 0.000 0.957 391 L CA -0.636 54.005 54.840 -0.331 0.000 0.860 391 L CB 1.633 43.380 42.059 -0.518 0.000 1.265 391 L HN 0.600 nan 8.230 nan 0.000 0.403 392 L N 5.083 125.830 121.223 -0.793 0.000 2.278 392 L HA 0.404 4.743 4.340 -0.001 0.000 0.287 392 L C 0.987 177.258 176.870 -0.997 0.000 1.072 392 L CA 0.393 54.630 54.840 -1.005 0.000 0.819 392 L CB 0.475 41.638 42.059 -1.494 0.000 1.176 392 L HN 0.699 nan 8.230 nan 0.000 0.435 393 H N 3.324 122.042 119.070 -0.586 0.000 2.284 393 H HA 0.139 4.695 4.556 -0.001 0.000 0.304 393 H C 0.347 175.423 175.328 -0.420 0.000 1.069 393 H CA 1.089 56.857 56.048 -0.466 0.000 1.327 393 H CB 0.351 29.888 29.762 -0.376 0.000 1.387 393 H HN 0.687 nan 8.280 nan 0.000 0.498 394 N N -1.370 117.167 118.700 -0.272 0.000 4.104 394 N HA 0.147 4.886 4.740 -0.001 0.000 0.214 394 N C -2.034 173.384 175.510 -0.153 0.000 1.270 394 N CA -0.418 52.507 53.050 -0.208 0.000 0.894 394 N CB 0.818 39.249 38.487 -0.093 0.000 1.495 394 N HN -0.029 nan 8.380 nan 0.000 0.506 395 I N 1.355 121.908 120.570 -0.027 0.000 2.468 395 I HA 0.316 4.485 4.170 -0.001 0.000 0.284 395 I C -1.260 174.964 176.117 0.179 0.000 1.038 395 I CA -0.537 60.821 61.300 0.096 0.000 1.083 395 I CB 1.809 39.921 38.000 0.185 0.000 1.223 395 I HN 0.375 nan 8.210 nan 0.000 0.443 396 D N 8.514 129.069 120.400 0.258 0.000 2.421 396 D HA 0.367 5.006 4.640 -0.001 0.000 0.254 396 D C -2.088 174.361 176.300 0.249 0.000 1.238 396 D CA -2.091 52.077 54.000 0.279 0.000 0.919 396 D CB 2.502 43.536 40.800 0.391 0.000 1.152 396 D HN 0.086 nan 8.370 nan 0.000 0.552 397 P HA 0.007 nan 4.420 nan 0.000 0.220 397 P C -0.213 177.122 177.300 0.058 0.000 1.148 397 P CA 0.940 64.093 63.100 0.087 0.000 0.803 397 P CB 0.225 31.958 31.700 0.054 0.000 0.782 398 N N -1.668 117.027 118.700 -0.008 0.000 2.389 398 N HA 0.146 4.885 4.740 -0.001 0.000 0.260 398 N C -0.443 175.047 175.510 -0.032 0.000 1.191 398 N CA -0.521 52.461 53.050 -0.113 0.000 0.885 398 N CB -0.240 38.031 38.487 -0.360 0.000 1.162 398 N HN 0.025 nan 8.380 nan 0.000 0.512 399 F N 2.661 122.621 119.950 0.018 0.000 2.572 399 F HA 0.203 4.729 4.527 -0.001 0.000 0.370 399 F C 0.239 176.095 175.800 0.094 0.000 1.103 399 F CA -0.419 57.606 58.000 0.042 0.000 1.286 399 F CB 0.494 39.325 39.000 -0.282 0.000 1.105 399 F HN -0.154 nan 8.300 nan 0.000 0.583 400 V N 2.509 121.890 119.914 -0.888 0.000 2.808 400 V HA 0.350 4.470 4.120 -0.001 0.000 0.308 400 V C -1.178 174.354 176.094 -0.937 0.000 1.099 400 V CA -1.059 60.861 62.300 -0.634 0.000 0.920 400 V CB 1.605 33.280 31.823 -0.246 0.000 1.014 400 V HN 0.691 nan 8.190 nan 0.000 0.425 401 D N 3.108 123.216 120.400 -0.487 0.000 2.483 401 D HA 0.306 4.945 4.640 -0.001 0.000 0.220 401 D C 1.506 177.565 176.300 -0.401 0.000 1.173 401 D CA 0.694 54.518 54.000 -0.294 0.000 0.964 401 D CB 1.048 42.029 40.800 0.303 0.000 1.046 401 D HN 0.850 nan 8.370 nan 0.000 0.517 402 S N 1.069 116.333 115.700 -0.726 0.000 2.447 402 S HA -0.112 4.358 4.470 -0.001 0.000 0.233 402 S C 0.947 175.251 174.600 -0.493 0.000 1.006 402 S CA 0.043 57.896 58.200 -0.579 0.000 0.957 402 S CB -0.425 62.416 63.200 -0.599 0.000 0.773 402 S HN 0.365 nan 8.310 nan 0.000 0.507 403 S N 2.543 117.851 115.700 -0.653 0.000 2.548 403 S HA 0.471 4.940 4.470 -0.001 0.000 0.277 403 S C -2.938 171.550 174.600 -0.186 0.000 1.315 403 S CA -1.536 56.426 58.200 -0.395 0.000 1.050 403 S CB 0.187 63.114 63.200 -0.455 0.000 0.918 403 S HN 0.088 nan 8.310 nan 0.000 0.497 404 P HA 0.213 nan 4.420 nan 0.000 0.260 404 P C -0.416 176.887 177.300 0.004 0.000 1.207 404 P CA -0.168 62.903 63.100 -0.049 0.000 0.780 404 P CB -0.043 31.628 31.700 -0.049 0.000 0.789 424 A N 1.278 124.144 122.820 0.076 0.000 2.066 424 A HA 0.357 4.676 4.320 -0.001 0.000 0.218 424 A C 0.361 178.013 177.584 0.114 0.000 1.157 424 A CA 0.739 52.828 52.037 0.086 0.000 0.670 424 A CB -0.340 18.722 19.000 0.104 0.000 0.804 424 A HN 0.914 nan 8.150 nan 0.000 0.453 425 F N 0.738 120.680 119.950 -0.013 0.000 2.404 425 F HA 0.439 4.965 4.527 -0.001 0.000 0.339 425 F C 0.181 175.950 175.800 -0.051 0.000 1.105 425 F CA -1.545 56.432 58.000 -0.038 0.000 1.087 425 F CB 0.713 39.700 39.000 -0.023 0.000 1.143 425 F HN 0.083 nan 8.300 nan 0.000 0.491 426 N N 3.079 121.302 118.700 -0.793 0.000 2.402 426 N HA -0.007 4.732 4.740 -0.001 0.000 0.259 426 N C 0.867 176.149 175.510 -0.381 0.000 1.167 426 N CA 0.374 53.121 53.050 -0.506 0.000 0.949 426 N CB 0.689 38.865 38.487 -0.518 0.000 1.212 426 N HN 0.746 nan 8.380 nan 0.000 0.493 427 T N -0.403 114.119 114.554 -0.054 0.000 3.155 427 T HA -0.024 4.325 4.350 -0.001 0.000 0.264 427 T C 1.295 176.038 174.700 0.072 0.000 1.160 427 T CA 0.512 62.669 62.100 0.095 0.000 1.075 427 T CB -0.087 68.830 68.868 0.082 0.000 0.921 427 T HN 0.259 nan 8.240 nan 0.000 0.533 428 S N 0.249 115.951 115.700 0.003 0.000 2.501 428 S HA 0.236 4.705 4.470 -0.001 0.000 0.220 428 S C 0.736 175.385 174.600 0.081 0.000 0.997 428 S CA -0.308 57.919 58.200 0.045 0.000 0.919 428 S CB 0.049 63.253 63.200 0.007 0.000 0.778 428 S HN 0.425 nan 8.310 nan 0.000 0.523 429 V N 3.002 122.932 119.914 0.028 0.000 2.508 429 V HA 0.104 4.223 4.120 -0.001 0.000 0.281 429 V C 0.216 176.436 176.094 0.210 0.000 1.041 429 V CA -0.534 61.815 62.300 0.082 0.000 1.016 429 V CB 0.207 31.980 31.823 -0.084 0.000 0.984 429 V HN 0.460 nan 8.190 nan 0.000 0.478 430 H N 4.749 123.890 119.070 0.118 0.000 3.091 430 H HA 0.489 5.044 4.556 -0.001 0.000 0.289 430 H C 0.006 175.322 175.328 -0.020 0.000 0.995 430 H CA 0.820 56.873 56.048 0.008 0.000 1.461 430 H CB 0.183 29.910 29.762 -0.058 0.000 1.510 430 H HN 0.926 nan 8.280 nan 0.000 0.546 431 A N 3.625 126.208 122.820 -0.394 0.000 2.599 431 A HA 0.843 5.162 4.320 -0.001 0.000 0.290 431 A C -1.559 175.779 177.584 -0.411 0.000 1.101 431 A CA -0.292 51.531 52.037 -0.358 0.000 0.674 431 A CB 1.050 19.993 19.000 -0.094 0.000 1.277 431 A HN 1.216 nan 8.150 nan 0.000 0.419 432 A N -0.072 122.545 122.820 -0.338 0.000 2.577 432 A HA 0.754 5.073 4.320 -0.001 0.000 0.297 432 A C -1.414 176.077 177.584 -0.155 0.000 1.060 432 A CA 0.043 51.938 52.037 -0.237 0.000 0.697 432 A CB 0.853 19.671 19.000 -0.304 0.000 1.281 432 A HN 2.117 nan 8.150 nan 0.000 0.402 433 I N 0.750 121.260 120.570 -0.101 0.000 2.722 433 I HA 0.779 4.948 4.170 -0.001 0.000 0.295 433 I C -1.124 174.939 176.117 -0.090 0.000 1.161 433 I CA -0.774 60.420 61.300 -0.177 0.000 1.032 433 I CB 1.980 39.883 38.000 -0.161 0.000 1.244 433 I HN 0.784 nan 8.210 nan 0.000 0.421 434 R N 5.976 126.349 120.500 -0.211 0.000 2.437 434 R HA 0.480 4.819 4.340 -0.001 0.000 0.310 434 R C -1.763 174.535 176.300 -0.003 0.000 0.955 434 R CA -0.377 55.655 56.100 -0.113 0.000 0.851 434 R CB 0.674 30.802 30.300 -0.287 0.000 1.161 434 R HN 0.686 nan 8.270 nan 0.000 0.446 435 H N 3.865 122.933 119.070 -0.004 0.000 3.013 435 H HA 0.382 4.937 4.556 -0.002 0.000 0.326 435 H C 0.197 175.577 175.328 0.087 0.000 0.973 435 H CA 0.387 56.453 56.048 0.030 0.000 1.369 435 H CB 1.239 31.029 29.762 0.048 0.000 1.598 435 H HN 0.906 nan 8.280 nan 0.000 0.518 436 G N 4.974 113.597 108.800 -0.296 0.000 2.561 436 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.289 436 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.289 436 G C 0.624 175.460 174.900 -0.107 0.000 1.169 436 G CA 0.689 45.674 45.100 -0.192 0.000 0.980 436 G HN 0.695 nan 8.290 nan 0.000 0.550 437 N N 0.156 118.768 118.700 -0.147 0.000 2.353 437 N HA 0.223 4.963 4.740 -0.001 0.000 0.185 437 N C 0.012 175.215 175.510 -0.511 0.000 1.098 437 N CA 0.162 52.996 53.050 -0.359 0.000 0.872 437 N CB 0.200 38.374 38.487 -0.522 0.000 0.970 437 N HN 0.459 nan 8.380 nan 0.000 0.467 438 W N 1.589 122.879 121.300 -0.018 0.000 2.496 438 W HA 0.449 5.108 4.660 -0.002 0.000 0.327 438 W C 0.245 176.785 176.519 0.036 0.000 1.086 438 W CA -0.786 56.568 57.345 0.014 0.000 1.222 438 W CB 0.928 30.388 29.460 0.000 0.000 1.304 438 W HN -0.329 nan 8.180 nan 0.000 0.547 439 K N 3.201 123.773 120.400 0.287 0.000 2.397 439 K HA 0.609 4.928 4.320 -0.001 0.000 0.253 439 K C -1.921 174.813 176.600 0.223 0.000 0.932 439 K CA -0.931 55.479 56.287 0.206 0.000 0.795 439 K CB 1.616 34.221 32.500 0.176 0.000 1.159 439 K HN 0.582 nan 8.250 nan 0.000 0.424 440 L N 5.038 126.335 121.223 0.124 0.000 2.346 440 L HA 0.531 4.870 4.340 -0.001 0.000 0.276 440 L C -1.846 175.035 176.870 0.018 0.000 1.006 440 L CA -0.564 54.327 54.840 0.086 0.000 0.817 440 L CB 1.388 43.464 42.059 0.028 0.000 1.272 440 L HN 0.588 nan 8.230 nan 0.000 0.421 441 L N 3.852 125.112 121.223 0.061 0.000 2.365 441 L HA 0.792 5.131 4.340 -0.001 0.000 0.273 441 L C -0.051 176.901 176.870 0.137 0.000 1.000 441 L CA -0.215 54.585 54.840 -0.067 0.000 0.819 441 L CB 2.265 44.123 42.059 -0.336 0.000 1.284 441 L HN 0.732 nan 8.230 nan 0.000 0.418 442 T N -1.038 113.541 114.554 0.042 0.000 2.916 442 T HA 0.895 5.244 4.350 -0.001 0.000 0.292 442 T C 0.336 175.145 174.700 0.181 0.000 1.064 442 T CA -0.195 62.011 62.100 0.177 0.000 1.011 442 T CB 1.773 70.763 68.868 0.203 0.000 1.152 442 T HN 1.176 nan 8.240 nan 0.000 0.510 443 G N 0.844 109.800 108.800 0.260 0.000 2.552 443 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.265 443 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.265 443 G C -0.780 174.369 174.900 0.414 0.000 1.234 443 G CA 0.198 45.471 45.100 0.288 0.000 0.944 443 G HN 1.461 nan 8.290 nan 0.000 0.568 444 Y N 3.250 123.709 120.300 0.265 0.000 2.454 444 Y HA 0.580 5.129 4.550 -0.001 0.000 0.345 444 Y C -1.371 174.616 175.900 0.145 0.000 0.970 444 Y CA -2.118 56.143 58.100 0.269 0.000 1.204 444 Y CB 1.859 40.516 38.460 0.329 0.000 1.122 444 Y HN 0.198 nan 8.280 nan 0.000 0.514 445 P HA 0.134 nan 4.420 nan 0.000 0.221 445 P C -0.048 176.778 177.300 -0.789 0.000 1.150 445 P CA 1.665 64.245 63.100 -0.866 0.000 0.800 445 P CB 0.318 31.002 31.700 -1.693 0.000 0.787 446 G N -2.087 106.135 108.800 -0.963 0.000 2.343 446 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.465 446 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.465 446 G C -1.082 173.770 174.900 -0.079 0.000 1.282 446 G CA -0.774 44.060 45.100 -0.443 0.000 0.996 446 G HN 0.057 nan 8.290 nan 0.000 0.521 447 c N 1.485 120.244 118.600 0.266 0.000 2.531 447 c HA 0.447 5.016 4.570 -0.001 0.000 0.401 447 c C 1.915 176.115 174.090 0.182 0.000 1.473 447 c CA 1.332 57.884 56.329 0.371 0.000 1.472 447 c CB -1.213 41.583 42.510 0.478 0.000 2.429 447 c HN 1.701 nan 8.230 nan 0.000 0.620 448 G N 4.980 113.706 108.800 -0.124 0.000 3.314 448 G HA2 0.190 4.149 3.960 -0.001 0.000 0.238 448 G HA3 0.190 4.149 3.960 -0.001 0.000 0.238 448 G C 0.083 174.314 174.900 -1.115 0.000 1.184 448 G CA -0.060 44.452 45.100 -0.980 0.000 0.806 448 G HN 0.794 nan 8.290 nan 0.000 0.536 449 Y N -0.821 119.061 120.300 -0.697 0.000 2.298 449 Y HA 0.361 4.910 4.550 -0.002 0.000 0.329 449 Y C 0.480 175.765 175.900 -1.025 0.000 1.293 449 Y CA -0.839 56.786 58.100 -0.792 0.000 1.388 449 Y CB 0.840 38.779 38.460 -0.868 0.000 1.309 449 Y HN 0.075 nan 8.280 nan 0.000 0.544 450 W N 2.341 123.372 121.300 -0.449 0.000 2.349 450 W HA 0.292 4.951 4.660 -0.002 0.000 0.309 450 W C -1.569 174.790 176.519 -0.267 0.000 1.083 450 W CA -0.962 56.245 57.345 -0.230 0.000 1.224 450 W CB 0.906 30.367 29.460 0.001 0.000 1.256 450 W HN 0.384 nan 8.180 nan 0.000 0.461 451 F N 5.061 125.229 119.950 0.364 0.000 2.308 451 F HA 0.262 4.788 4.527 -0.002 0.000 0.370 451 F C -1.561 174.304 175.800 0.107 0.000 1.100 451 F CA -2.424 55.680 58.000 0.173 0.000 1.108 451 F CB 0.345 39.400 39.000 0.092 0.000 1.293 451 F HN -0.080 nan 8.300 nan 0.000 0.478 452 P HA 0.114 nan 4.420 nan 0.000 0.274 452 P C -2.655 174.414 177.300 -0.385 0.000 1.231 452 P CA -1.713 60.792 63.100 -0.991 0.000 0.790 452 P CB 0.404 31.003 31.700 -1.835 0.000 0.951 453 P HA 0.105 nan 4.420 nan 0.000 0.266 453 P C -2.066 175.265 177.300 0.052 0.000 1.215 453 P CA -1.218 61.875 63.100 -0.011 0.000 0.763 453 P CB -0.344 31.397 31.700 0.068 0.000 0.806 454 P HA -0.224 nan 4.420 nan 0.000 0.216 454 P C 1.724 179.063 177.300 0.066 0.000 1.157 454 P CA 2.114 65.246 63.100 0.053 0.000 0.880 454 P CB -0.307 31.415 31.700 0.037 0.000 0.791 455 S N -2.036 113.715 115.700 0.084 0.000 2.603 455 S HA -0.076 4.393 4.470 -0.001 0.000 0.229 455 S C 1.623 176.266 174.600 0.071 0.000 0.972 455 S CA 0.697 58.962 58.200 0.108 0.000 0.935 455 S CB -0.747 62.578 63.200 0.209 0.000 0.769 455 S HN 0.261 nan 8.310 nan 0.000 0.536 456 Q N -1.141 118.680 119.800 0.035 0.000 2.280 456 Q HA 0.320 4.659 4.340 -0.001 0.000 0.244 456 Q C -0.953 174.813 176.000 -0.389 0.000 0.847 456 Q CA 0.172 55.898 55.803 -0.129 0.000 0.945 456 Q CB 0.735 29.419 28.738 -0.091 0.000 1.115 456 Q HN 0.628 nan 8.270 nan 0.000 0.513 457 Y N 0.058 120.298 120.300 -0.100 0.000 2.442 457 Y HA 0.260 4.810 4.550 -0.001 0.000 0.344 457 Y C -0.022 175.836 175.900 -0.070 0.000 0.976 457 Y CA -0.982 57.049 58.100 -0.114 0.000 1.040 457 Y CB 1.294 39.620 38.460 -0.224 0.000 1.228 457 Y HN -0.086 nan 8.280 nan 0.000 0.451 458 N N 2.836 121.586 118.700 0.082 0.000 2.994 458 N HA 0.334 5.073 4.740 -0.001 0.000 0.306 458 N C -1.618 173.928 175.510 0.059 0.000 1.348 458 N CA 0.019 53.100 53.050 0.053 0.000 1.109 458 N CB 0.109 38.612 38.487 0.026 0.000 1.415 458 N HN 0.410 nan 8.380 nan 0.000 0.529 459 V N -1.769 118.185 119.914 0.067 0.000 2.891 459 V HA 0.265 4.384 4.120 -0.001 0.000 0.304 459 V C 0.844 176.951 176.094 0.022 0.000 1.171 459 V CA -0.856 61.467 62.300 0.038 0.000 0.943 459 V CB 1.085 32.928 31.823 0.033 0.000 1.037 459 V HN 0.134 nan 8.190 nan 0.000 0.427 460 S N 0.788 116.503 115.700 0.025 0.000 2.470 460 S HA 0.158 4.628 4.470 -0.001 0.000 0.225 460 S C 0.501 175.164 174.600 0.105 0.000 1.006 460 S CA 0.870 59.102 58.200 0.054 0.000 0.934 460 S CB -0.258 62.967 63.200 0.041 0.000 0.778 460 S HN 1.338 nan 8.310 nan 0.000 0.517 461 E N 0.313 120.517 120.200 0.007 0.000 2.401 461 E HA 0.487 4.836 4.350 -0.001 0.000 0.280 461 E C -1.875 174.711 176.600 -0.024 0.000 1.039 461 E CA -0.916 55.431 56.400 -0.089 0.000 0.814 461 E CB 0.630 30.133 29.700 -0.329 0.000 1.275 461 E HN 0.275 nan 8.360 nan 0.000 0.448 462 I N 2.158 122.770 120.570 0.071 0.000 2.447 462 I HA 0.356 4.525 4.170 -0.001 0.000 0.287 462 I C -2.330 174.020 176.117 0.389 0.000 1.023 462 I CA -2.082 59.340 61.300 0.203 0.000 1.083 462 I CB 2.386 40.496 38.000 0.184 0.000 1.245 462 I HN 0.266 nan 8.210 nan 0.000 0.434 463 P HA 0.242 nan 4.420 nan 0.000 0.278 463 P C -0.526 176.903 177.300 0.214 0.000 1.258 463 P CA -0.350 62.879 63.100 0.215 0.000 0.811 463 P CB 1.517 33.349 31.700 0.220 0.000 1.063 464 S N -0.401 115.359 115.700 0.101 0.000 2.719 464 S HA 0.283 4.752 4.470 -0.001 0.000 0.285 464 S C 1.030 175.705 174.600 0.125 0.000 1.137 464 S CA -0.153 58.187 58.200 0.233 0.000 1.012 464 S CB 0.009 63.304 63.200 0.158 0.000 1.134 464 S HN 0.494 nan 8.310 nan 0.000 0.544 465 S N -1.025 114.756 115.700 0.136 0.000 2.597 465 S HA 0.217 4.686 4.470 -0.001 0.000 0.224 465 S C -0.627 174.028 174.600 0.092 0.000 0.955 465 S CA -0.566 57.690 58.200 0.093 0.000 0.933 465 S CB -0.696 62.549 63.200 0.074 0.000 0.788 465 S HN 0.611 nan 8.310 nan 0.000 0.488 466 D N 5.108 125.585 120.400 0.129 0.000 2.417 466 D HA 0.286 4.925 4.640 -0.001 0.000 0.250 466 D C -1.826 174.540 176.300 0.109 0.000 1.166 466 D CA -1.067 53.026 54.000 0.154 0.000 0.881 466 D CB 0.683 41.675 40.800 0.319 0.000 1.164 466 D HN 0.301 nan 8.370 nan 0.000 0.467 467 P HA 0.189 nan 4.420 nan 0.000 0.274 467 P C -2.080 175.268 177.300 0.079 0.000 1.237 467 P CA -1.289 61.843 63.100 0.053 0.000 0.793 467 P CB 0.514 32.225 31.700 0.019 0.000 0.977 468 P HA -0.128 nan 4.420 nan 0.000 0.219 468 P C 1.331 178.679 177.300 0.080 0.000 1.146 468 P CA 1.704 64.853 63.100 0.081 0.000 0.808 468 P CB -0.382 31.348 31.700 0.050 0.000 0.779 469 T N -4.551 110.030 114.554 0.045 0.000 3.148 469 T HA 0.044 4.393 4.350 -0.001 0.000 0.253 469 T C 0.722 175.421 174.700 -0.001 0.000 1.134 469 T CA -0.198 61.917 62.100 0.024 0.000 1.051 469 T CB -0.493 68.375 68.868 -0.001 0.000 0.959 469 T HN -0.000 nan 8.240 nan 0.000 0.525 470 K N 2.390 122.785 120.400 -0.010 0.000 2.412 470 K HA 0.167 4.486 4.320 -0.001 0.000 0.281 470 K C 0.533 177.030 176.600 -0.171 0.000 1.027 470 K CA 0.532 56.708 56.287 -0.185 0.000 0.989 470 K CB 0.363 32.702 32.500 -0.269 0.000 0.935 470 K HN 0.353 nan 8.250 nan 0.000 0.475 471 T N 1.748 116.121 114.554 -0.302 0.000 3.332 471 T HA 0.251 4.600 4.350 -0.001 0.000 0.304 471 T C -0.282 174.356 174.700 -0.104 0.000 0.971 471 T CA -0.604 61.463 62.100 -0.056 0.000 0.954 471 T CB -0.073 68.828 68.868 0.055 0.000 1.175 471 T HN 0.427 nan 8.240 nan 0.000 0.519 472 L N 0.713 121.619 121.223 -0.529 0.000 2.513 472 L HA 0.723 5.062 4.340 -0.001 0.000 0.261 472 L C -2.067 174.535 176.870 -0.447 0.000 0.945 472 L CA -0.488 54.214 54.840 -0.229 0.000 0.848 472 L CB 1.940 43.912 42.059 -0.145 0.000 1.334 472 L HN 0.270 nan 8.230 nan 0.000 0.407 473 W N 5.415 126.670 121.300 -0.076 0.000 3.127 473 W HA 0.574 5.233 4.660 -0.002 0.000 0.330 473 W C -1.648 174.733 176.519 -0.229 0.000 1.187 473 W CA -0.870 56.365 57.345 -0.184 0.000 1.198 473 W CB 2.324 31.737 29.460 -0.079 0.000 1.408 473 W HN 0.314 nan 8.180 nan 0.000 0.529 474 L N 2.734 123.849 121.223 -0.179 0.000 2.439 474 L HA 0.645 4.984 4.340 -0.001 0.000 0.270 474 L C -1.907 174.860 176.870 -0.173 0.000 0.972 474 L CA -0.349 54.469 54.840 -0.038 0.000 0.836 474 L CB 1.036 43.137 42.059 0.071 0.000 1.255 474 L HN 0.173 nan 8.230 nan 0.000 0.404 475 F N 2.481 122.622 119.950 0.318 0.000 2.551 475 F HA 0.422 4.948 4.527 -0.002 0.000 0.316 475 F C 0.038 175.881 175.800 0.072 0.000 1.089 475 F CA -0.772 57.365 58.000 0.228 0.000 0.915 475 F CB 1.782 40.882 39.000 0.166 0.000 1.186 475 F HN 0.415 nan 8.300 nan 0.000 0.456 476 D N 3.406 123.837 120.400 0.051 0.000 2.479 476 D HA 0.179 4.818 4.640 -0.001 0.000 0.218 476 D C 1.128 177.304 176.300 -0.207 0.000 1.131 476 D CA -0.020 53.667 54.000 -0.523 0.000 0.916 476 D CB 0.451 40.823 40.800 -0.712 0.000 1.022 476 D HN 0.310 nan 8.370 nan 0.000 0.515 477 I N 2.493 122.978 120.570 -0.142 0.000 2.361 477 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 477 I C 1.812 177.867 176.117 -0.104 0.000 1.133 477 I CA 0.922 62.178 61.300 -0.073 0.000 1.413 477 I CB -0.764 37.223 38.000 -0.021 0.000 1.073 477 I HN 0.416 nan 8.210 nan 0.000 0.424 478 D N 1.093 121.392 120.400 -0.168 0.000 2.123 478 D HA -0.197 4.442 4.640 -0.001 0.000 0.196 478 D C 2.230 178.464 176.300 -0.111 0.000 0.992 478 D CA 1.534 55.454 54.000 -0.134 0.000 0.833 478 D CB 0.126 40.819 40.800 -0.179 0.000 0.954 478 D HN 0.270 nan 8.370 nan 0.000 0.455 479 R N -1.168 119.249 120.500 -0.139 0.000 2.308 479 R HA 0.158 4.497 4.340 -0.001 0.000 0.202 479 R C -0.121 176.143 176.300 -0.060 0.000 0.898 479 R CA 0.287 56.331 56.100 -0.093 0.000 1.046 479 R CB 0.639 30.878 30.300 -0.102 0.000 1.026 479 R HN 0.042 nan 8.270 nan 0.000 0.512 480 D N 0.573 120.941 120.400 -0.053 0.000 2.735 480 D HA 0.121 4.760 4.640 -0.001 0.000 0.291 480 D C -1.858 174.410 176.300 -0.054 0.000 1.205 480 D CA -1.996 51.996 54.000 -0.014 0.000 0.777 480 D CB 1.140 41.994 40.800 0.089 0.000 1.234 480 D HN -0.124 nan 8.370 nan 0.000 0.520 481 P HA -0.089 nan 4.420 nan 0.000 0.223 481 P C 0.505 177.702 177.300 -0.170 0.000 1.151 481 P CA 0.767 63.790 63.100 -0.129 0.000 0.787 481 P CB 0.458 32.080 31.700 -0.131 0.000 0.788 482 E N 0.071 120.189 120.200 -0.135 0.000 2.489 482 E HA 0.014 4.364 4.350 -0.001 0.000 0.193 482 E C -0.196 176.406 176.600 0.004 0.000 1.057 482 E CA -0.186 56.169 56.400 -0.075 0.000 0.866 482 E CB -0.346 29.278 29.700 -0.127 0.000 0.916 482 E HN 0.278 nan 8.360 nan 0.000 0.500 483 E N 0.331 120.396 120.200 -0.226 0.000 2.228 483 E HA -0.293 4.057 4.350 -0.001 0.000 0.213 483 E C 0.575 177.151 176.600 -0.041 0.000 1.282 483 E CA 0.097 56.098 56.400 -0.666 0.000 0.707 483 E CB -0.835 28.192 29.700 -1.121 0.000 1.150 483 E HN 0.313 nan 8.360 nan 0.000 0.362 484 R N -0.318 120.316 120.500 0.223 0.000 2.173 484 R HA 0.059 4.399 4.340 -0.001 0.000 0.208 484 R C 0.839 177.400 176.300 0.435 0.000 1.035 484 R CA 0.637 56.924 56.100 0.311 0.000 1.004 484 R CB 0.212 30.542 30.300 0.049 0.000 0.917 484 R HN 0.243 nan 8.270 nan 0.000 0.462 485 H N 0.821 120.156 119.070 0.441 0.000 2.708 485 H HA 0.130 4.685 4.556 -0.002 0.000 0.320 485 H C -1.411 174.178 175.328 0.434 0.000 0.991 485 H CA -0.915 55.366 56.048 0.388 0.000 1.243 485 H CB 0.909 30.814 29.762 0.238 0.000 1.446 485 H HN -0.110 nan 8.280 nan 0.000 0.502 486 D N 3.925 124.422 120.400 0.163 0.000 2.390 486 D HA 0.038 4.677 4.640 -0.001 0.000 0.249 486 D C 0.221 176.545 176.300 0.040 0.000 1.144 486 D CA 0.076 54.009 54.000 -0.113 0.000 0.880 486 D CB 0.972 41.710 40.800 -0.102 0.000 1.182 486 D HN 0.631 nan 8.370 nan 0.000 0.451 487 L N 2.819 124.096 121.223 0.090 0.000 2.906 487 L HA 0.076 4.415 4.340 -0.001 0.000 0.255 487 L C 2.093 179.076 176.870 0.189 0.000 1.166 487 L CA -0.065 54.945 54.840 0.283 0.000 0.977 487 L CB -0.053 42.339 42.059 0.556 0.000 1.313 487 L HN 0.453 nan 8.230 nan 0.000 0.549 488 S N 0.451 116.168 115.700 0.029 0.000 2.380 488 S HA -0.270 4.199 4.470 -0.001 0.000 0.229 488 S C 2.003 176.583 174.600 -0.033 0.000 1.043 488 S CA 1.277 59.465 58.200 -0.019 0.000 1.038 488 S CB -0.277 62.861 63.200 -0.103 0.000 0.872 488 S HN 0.467 nan 8.310 nan 0.000 0.456 489 R N 0.835 121.306 120.500 -0.048 0.000 2.153 489 R HA 0.169 4.508 4.340 -0.001 0.000 0.218 489 R C 2.569 178.813 176.300 -0.093 0.000 1.072 489 R CA 1.114 57.171 56.100 -0.073 0.000 0.990 489 R CB -0.214 30.043 30.300 -0.072 0.000 0.889 489 R HN 0.649 nan 8.270 nan 0.000 0.452 490 E N -0.096 120.055 120.200 -0.083 0.000 2.152 490 E HA -0.117 4.232 4.350 -0.001 0.000 0.192 490 E C -0.383 175.913 176.600 -0.506 0.000 0.983 490 E CA 0.833 57.076 56.400 -0.261 0.000 0.818 490 E CB 0.333 29.902 29.700 -0.219 0.000 0.758 490 E HN 0.279 nan 8.360 nan 0.000 0.467 491 Y N 0.002 120.262 120.300 -0.066 0.000 2.658 491 Y HA 0.244 4.794 4.550 -0.001 0.000 0.362 491 Y C -1.893 173.905 175.900 -0.169 0.000 1.017 491 Y CA -2.043 55.976 58.100 -0.136 0.000 1.134 491 Y CB 1.320 39.616 38.460 -0.274 0.000 1.144 491 Y HN 0.094 nan 8.280 nan 0.000 0.655 492 P HA -0.230 nan 4.420 nan 0.000 0.218 492 P C 1.048 178.203 177.300 -0.242 0.000 1.148 492 P CA 1.845 64.823 63.100 -0.203 0.000 0.822 492 P CB 0.426 31.944 31.700 -0.303 0.000 0.784 493 H N -0.525 118.513 119.070 -0.053 0.000 2.462 493 H HA 0.084 4.639 4.556 -0.001 0.000 0.292 493 H C 2.260 177.521 175.328 -0.111 0.000 1.049 493 H CA 0.822 56.828 56.048 -0.069 0.000 1.334 493 H CB -0.289 29.437 29.762 -0.059 0.000 1.404 493 H HN 0.223 nan 8.280 nan 0.000 0.544 494 I N 0.003 120.530 120.570 -0.071 0.000 2.406 494 I HA -0.173 3.996 4.170 -0.001 0.000 0.249 494 I C 2.416 178.450 176.117 -0.138 0.000 1.122 494 I CA 0.404 61.575 61.300 -0.215 0.000 1.431 494 I CB -0.099 37.560 38.000 -0.568 0.000 1.087 494 I HN -0.022 nan 8.210 nan 0.000 0.424 495 V N 0.799 120.653 119.914 -0.100 0.000 2.287 495 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 495 V C 2.534 178.595 176.094 -0.054 0.000 1.053 495 V CA 2.524 64.786 62.300 -0.064 0.000 1.027 495 V CB -0.960 30.826 31.823 -0.061 0.000 0.646 495 V HN 0.461 nan 8.190 nan 0.000 0.447 496 T N -0.466 114.054 114.554 -0.057 0.000 2.746 496 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 496 T C 1.935 176.617 174.700 -0.031 0.000 1.039 496 T CA 1.846 63.925 62.100 -0.034 0.000 1.142 496 T CB -0.195 68.657 68.868 -0.026 0.000 0.866 496 T HN 0.508 nan 8.240 nan 0.000 0.444 497 K N 0.959 121.331 120.400 -0.047 0.000 2.002 497 K HA -0.042 4.277 4.320 -0.001 0.000 0.209 497 K C 2.214 178.757 176.600 -0.095 0.000 1.048 497 K CA 1.237 57.478 56.287 -0.077 0.000 0.930 497 K CB -0.329 32.112 32.500 -0.099 0.000 0.714 497 K HN 0.289 nan 8.250 nan 0.000 0.438 498 L N 1.011 122.182 121.223 -0.086 0.000 2.141 498 L HA -0.150 4.189 4.340 -0.001 0.000 0.209 498 L C 2.440 179.256 176.870 -0.090 0.000 1.094 498 L CA 0.721 55.513 54.840 -0.080 0.000 0.763 498 L CB -0.363 41.670 42.059 -0.042 0.000 0.908 498 L HN 0.247 nan 8.230 nan 0.000 0.437 499 L N -0.930 120.253 121.223 -0.066 0.000 2.093 499 L HA -0.160 4.179 4.340 -0.001 0.000 0.208 499 L C 2.697 179.562 176.870 -0.009 0.000 1.085 499 L CA 0.893 55.702 54.840 -0.052 0.000 0.755 499 L CB -0.339 41.740 42.059 0.033 0.000 0.904 499 L HN 0.175 nan 8.230 nan 0.000 0.435 500 S N -0.700 115.001 115.700 0.001 0.000 2.383 500 S HA -0.099 4.370 4.470 -0.001 0.000 0.227 500 S C 2.060 176.687 174.600 0.045 0.000 1.026 500 S CA 0.822 59.041 58.200 0.032 0.000 0.981 500 S CB -0.119 63.077 63.200 -0.006 0.000 0.818 500 S HN 0.312 nan 8.310 nan 0.000 0.472 501 R N 1.219 121.714 120.500 -0.010 0.000 2.075 501 R HA 0.105 4.444 4.340 -0.001 0.000 0.232 501 R C 2.220 178.627 176.300 0.178 0.000 1.126 501 R CA 0.803 56.925 56.100 0.037 0.000 0.963 501 R CB -1.217 29.083 30.300 -0.001 0.000 0.858 501 R HN 0.405 nan 8.270 nan 0.000 0.435 502 L N 0.679 121.899 121.223 -0.005 0.000 2.046 502 L HA -0.218 4.122 4.340 -0.001 0.000 0.208 502 L C 2.568 179.455 176.870 0.029 0.000 1.077 502 L CA 1.372 56.080 54.840 -0.220 0.000 0.747 502 L CB -0.354 41.088 42.059 -1.028 0.000 0.896 502 L HN 0.144 nan 8.230 nan 0.000 0.432 503 Q N -0.305 119.608 119.800 0.188 0.000 2.224 503 Q HA -0.216 4.123 4.340 -0.001 0.000 0.203 503 Q C 1.891 178.080 176.000 0.314 0.000 0.970 503 Q CA 1.482 57.525 55.803 0.400 0.000 0.865 503 Q CB -0.303 28.632 28.738 0.330 0.000 0.922 503 Q HN 0.447 nan 8.270 nan 0.000 0.445 504 F N -0.543 119.461 119.950 0.091 0.000 2.102 504 F HA -0.206 4.319 4.527 -0.002 0.000 0.298 504 F C 1.307 177.156 175.800 0.081 0.000 1.105 504 F CA 1.483 59.492 58.000 0.015 0.000 1.239 504 F CB -0.573 38.300 39.000 -0.211 0.000 0.991 504 F HN 0.096 nan 8.300 nan 0.000 0.474 505 Y N -0.294 119.962 120.300 -0.074 0.000 2.181 505 Y HA -0.211 4.338 4.550 -0.002 0.000 0.288 505 Y C 2.749 178.633 175.900 -0.025 0.000 1.146 505 Y CA 2.093 60.102 58.100 -0.152 0.000 1.164 505 Y CB -1.374 37.084 38.460 -0.003 0.000 0.982 505 Y HN 0.299 nan 8.280 nan 0.000 0.515 506 H N 0.597 119.778 119.070 0.186 0.000 2.352 506 H HA -0.159 4.397 4.556 -0.001 0.000 0.299 506 H C 2.262 177.623 175.328 0.055 0.000 1.097 506 H CA 2.131 58.282 56.048 0.171 0.000 1.311 506 H CB -0.085 29.858 29.762 0.302 0.000 1.377 506 H HN 0.215 nan 8.280 nan 0.000 0.504 507 K N -0.596 119.779 120.400 -0.041 0.000 2.209 507 K HA -0.150 4.169 4.320 -0.001 0.000 0.204 507 K C 0.433 176.786 176.600 -0.412 0.000 1.048 507 K CA 1.446 57.602 56.287 -0.218 0.000 0.940 507 K CB 0.005 32.418 32.500 -0.144 0.000 0.729 507 K HN 0.508 nan 8.250 nan 0.000 0.451 508 H N -0.349 118.559 119.070 -0.270 0.000 2.488 508 H HA 0.257 4.812 4.556 -0.001 0.000 0.294 508 H C -0.599 174.653 175.328 -0.127 0.000 1.088 508 H CA -0.342 55.569 56.048 -0.227 0.000 1.086 508 H CB 0.735 30.285 29.762 -0.353 0.000 1.569 508 H HN -0.031 nan 8.280 nan 0.000 0.548 509 S N 0.521 116.179 115.700 -0.069 0.000 2.654 509 S HA 0.450 4.919 4.470 -0.001 0.000 0.283 509 S C 0.178 174.747 174.600 -0.050 0.000 1.180 509 S CA -0.872 57.312 58.200 -0.027 0.000 1.021 509 S CB 1.826 65.011 63.200 -0.025 0.000 1.018 509 S HN 0.233 nan 8.310 nan 0.000 0.532 510 V N -0.480 119.432 119.914 -0.004 0.000 2.973 510 V HA 0.653 4.772 4.120 -0.001 0.000 0.314 510 V C -2.864 173.242 176.094 0.020 0.000 1.066 510 V CA -2.641 59.657 62.300 -0.003 0.000 1.021 510 V CB 0.017 31.847 31.823 0.013 0.000 1.076 510 V HN 0.565 nan 8.190 nan 0.000 0.462 511 P HA 0.234 nan 4.420 nan 0.000 0.269 511 P C -0.432 176.937 177.300 0.115 0.000 1.209 511 P CA -0.172 62.965 63.100 0.061 0.000 0.776 511 P CB 0.530 32.265 31.700 0.058 0.000 0.876 512 V N 3.450 123.444 119.914 0.133 0.000 2.585 512 V HA -0.063 4.057 4.120 -0.001 0.000 0.296 512 V C -0.132 176.123 176.094 0.268 0.000 1.035 512 V CA 0.500 62.908 62.300 0.180 0.000 1.084 512 V CB -0.629 31.277 31.823 0.138 0.000 0.953 512 V HN 0.415 nan 8.190 nan 0.000 0.483 513 Y N 6.580 126.972 120.300 0.154 0.000 2.464 513 Y HA 0.530 5.079 4.550 -0.001 0.000 0.326 513 Y C -0.855 175.204 175.900 0.264 0.000 0.969 513 Y CA -1.749 56.444 58.100 0.156 0.000 1.270 513 Y CB 1.093 39.608 38.460 0.093 0.000 1.103 513 Y HN 0.544 nan 8.280 nan 0.000 0.491 514 F N 9.230 129.025 119.950 -0.258 0.000 2.809 514 F HA 0.502 5.028 4.527 -0.002 0.000 0.369 514 F C -2.434 173.201 175.800 -0.275 0.000 1.225 514 F CA -2.440 55.448 58.000 -0.186 0.000 1.201 514 F CB 0.569 39.630 39.000 0.102 0.000 1.527 514 F HN 0.352 nan 8.300 nan 0.000 0.565 515 P HA 0.332 nan 4.420 nan 0.000 0.272 515 P C -0.479 176.631 177.300 -0.317 0.000 1.230 515 P CA -0.294 62.537 63.100 -0.448 0.000 0.788 515 P CB 1.251 32.635 31.700 -0.526 0.000 0.949 516 A N 1.858 124.586 122.820 -0.152 0.000 2.313 516 A HA 0.147 4.466 4.320 -0.001 0.000 0.261 516 A C 0.486 178.015 177.584 -0.091 0.000 1.090 516 A CA -0.400 51.573 52.037 -0.106 0.000 0.807 516 A CB -0.289 18.688 19.000 -0.039 0.000 1.055 516 A HN 0.618 nan 8.150 nan 0.000 0.492 517 Q N 0.061 119.818 119.800 -0.071 0.000 2.395 517 Q HA 0.120 4.459 4.340 -0.001 0.000 0.271 517 Q C -0.960 175.040 176.000 0.000 0.000 1.026 517 Q CA 0.265 56.047 55.803 -0.035 0.000 0.900 517 Q CB 0.511 29.223 28.738 -0.044 0.000 1.266 517 Q HN 0.620 nan 8.270 nan 0.000 0.430 518 D N 2.193 122.611 120.400 0.031 0.000 2.453 518 D HA 0.222 4.861 4.640 -0.001 0.000 0.238 518 D C -2.086 174.132 176.300 -0.137 0.000 1.088 518 D CA -2.377 51.650 54.000 0.045 0.000 0.854 518 D CB 1.515 42.495 40.800 0.299 0.000 1.076 518 D HN 0.131 nan 8.370 nan 0.000 0.533 519 P HA -0.110 nan 4.420 nan 0.000 0.219 519 P C 0.852 178.014 177.300 -0.230 0.000 1.144 519 P CA 0.838 63.858 63.100 -0.134 0.000 0.806 519 P CB 0.190 31.850 31.700 -0.068 0.000 0.771 520 R N -0.745 119.583 120.500 -0.286 0.000 2.346 520 R HA -0.025 4.315 4.340 -0.001 0.000 0.199 520 R C 1.711 177.501 176.300 -0.850 0.000 1.015 520 R CA 0.821 56.703 56.100 -0.364 0.000 1.058 520 R CB -0.986 29.248 30.300 -0.111 0.000 0.921 520 R HN 0.404 nan 8.270 nan 0.000 0.475 521 c N -1.042 116.904 118.600 -1.090 0.000 2.539 521 c HA 0.079 4.648 4.570 -0.001 0.000 0.268 521 c C 0.863 174.719 174.090 -0.391 0.000 1.395 521 c CA -1.154 54.440 56.329 -1.225 0.000 1.757 521 c CB -0.711 41.192 42.510 -1.012 0.000 1.851 521 c HN 0.219 nan 8.230 nan 0.000 0.545 522 D N 3.416 123.629 120.400 -0.312 0.000 2.661 522 D HA -0.006 4.633 4.640 -0.001 0.000 0.244 522 D C -0.857 175.273 176.300 -0.284 0.000 1.196 522 D CA -0.640 53.212 54.000 -0.246 0.000 0.881 522 D CB 0.704 41.399 40.800 -0.175 0.000 1.141 522 D HN 0.417 nan 8.370 nan 0.000 0.530 523 P HA -0.012 nan 4.420 nan 0.000 0.255 523 P C 1.011 178.114 177.300 -0.327 0.000 1.248 523 P CA 0.090 62.906 63.100 -0.475 0.000 0.807 523 P CB 0.129 31.229 31.700 -1.001 0.000 1.150 524 K N 0.835 121.081 120.400 -0.257 0.000 2.044 524 K HA -0.182 4.137 4.320 -0.001 0.000 0.210 524 K C 2.065 178.596 176.600 -0.115 0.000 1.049 524 K CA 1.805 57.991 56.287 -0.169 0.000 0.927 524 K CB -1.317 31.108 32.500 -0.125 0.000 0.713 524 K HN -0.062 nan 8.250 nan 0.000 0.443 525 A N 1.222 123.985 122.820 -0.094 0.000 1.908 525 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 525 A C 2.265 179.821 177.584 -0.047 0.000 1.181 525 A CA 2.319 54.322 52.037 -0.057 0.000 0.627 525 A CB -1.004 17.973 19.000 -0.038 0.000 0.818 525 A HN 0.698 nan 8.150 nan 0.000 0.445 526 T N -5.279 109.240 114.554 -0.057 0.000 3.001 526 T HA 0.428 4.777 4.350 -0.001 0.000 0.251 526 T C 1.379 176.049 174.700 -0.051 0.000 1.040 526 T CA 1.034 63.113 62.100 -0.036 0.000 0.985 526 T CB 0.263 69.125 68.868 -0.010 0.000 1.011 526 T HN 1.711 nan 8.240 nan 0.000 0.509 527 G N 1.006 109.744 108.800 -0.103 0.000 2.168 527 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.257 527 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.257 527 G C -0.031 174.798 174.900 -0.118 0.000 0.997 527 G CA 0.232 45.260 45.100 -0.119 0.000 0.708 527 G HN 0.861 nan 8.290 nan 0.000 0.520 528 V N -1.051 118.787 119.914 -0.127 0.000 2.733 528 V HA 0.596 4.715 4.120 -0.001 0.000 0.306 528 V C -0.072 176.002 176.094 -0.033 0.000 1.084 528 V CA -1.374 60.903 62.300 -0.039 0.000 0.905 528 V CB 1.484 33.344 31.823 0.062 0.000 1.010 528 V HN 0.329 nan 8.190 nan 0.000 0.424 529 W N 2.755 124.123 121.300 0.112 0.000 2.253 529 W HA 0.618 5.278 4.660 -0.001 0.000 0.322 529 W C 0.863 177.485 176.519 0.171 0.000 1.342 529 W CA 0.944 58.375 57.345 0.143 0.000 1.218 529 W CB 1.205 30.756 29.460 0.152 0.000 1.205 529 W HN 0.919 nan 8.180 nan 0.000 0.551 530 G N 2.801 111.885 108.800 0.473 0.000 2.441 530 G HA2 0.437 4.396 3.960 -0.001 0.000 0.294 530 G HA3 0.437 4.396 3.960 -0.001 0.000 0.294 530 G C -3.123 172.027 174.900 0.417 0.000 1.393 530 G CA -1.334 43.979 45.100 0.355 0.000 0.796 530 G HN 0.058 nan 8.290 nan 0.000 0.494 531 P HA 0.187 nan 4.420 nan 0.000 0.266 531 P C -0.177 177.306 177.300 0.306 0.000 1.193 531 P CA 0.507 63.699 63.100 0.154 0.000 0.770 531 P CB 0.341 32.046 31.700 0.009 0.000 0.836 532 W N 1.451 122.826 121.300 0.124 0.000 1.857 532 W HA 0.389 5.048 4.660 -0.001 0.000 0.244 532 W C -0.861 175.723 176.519 0.109 0.000 0.859 532 W CA -0.157 57.258 57.345 0.117 0.000 1.112 532 W CB -0.040 29.507 29.460 0.145 0.000 0.967 532 W HN -0.012 nan 8.180 nan 0.000 0.524 533 M N 0.000 119.443 119.600 -0.261 0.000 2.572 533 M HA 0.000 4.479 4.480 -0.001 0.000 0.227 533 M CA 0.000 55.191 55.300 -0.183 0.000 0.988 533 M CB 0.000 32.495 32.600 -0.175 0.000 1.302 533 M HN 0.000 nan 8.290 nan 0.000 0.411