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 1q1w_1_A DATA FIRST_RESID 2 DATA SEQUENCE NANDNVVIVG TGLAGVEVAF GLRASGWEGN IRLVGDATVI PHHLPPLSKA DATA SEQUENCE YLAGKATAES LYLRTPDAYA AQNIQLLGGT QVTAINRDRQ QVILSDGRAL DATA SEQUENCE DYDRLVLATG GRPRPLPVAS GAVGKANNFR YLRTLEDAEC IRRQLIADNR DATA SEQUENCE LVVIGGGYIG LEVAATAIKA NMHVTLLDTA ARVLERVTAP PVSAFYEHLH DATA SEQUENCE REAGVDIRTG TQVCGFEMST DQQKVTAVLC EDGTRLPADL VIAGIGLIPN DATA SEQUENCE CELASAAGLQ VDNGIVINEH MQTSDPLIMA VGDCARFHSQ LYDRWVRIES DATA SEQUENCE VPNALEQARK IAAILCGKVP RDEAAPWFWS DQYEIGLKMV GLSEGYDRII DATA SEQUENCE VRGSLAQPDF SVFYLQGDRV LAVDTVNRPV EFNQSKQIIT DRLPVEPNLL DATA SEQUENCE GDESVPLKEI IAAAKAELSS AP 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.275 175.510 -0.391 0.000 1.280 2 N CA 0.000 52.729 53.050 -0.535 0.000 0.885 2 N CB 0.000 38.245 38.487 -0.404 0.000 1.341 3 A N 0.850 123.401 122.820 -0.449 0.000 4.414 3 A HA -0.329 3.991 4.320 -0.000 0.000 0.259 3 A C 1.369 178.842 177.584 -0.185 0.000 0.774 3 A CA 2.324 54.205 52.037 -0.261 0.000 1.184 3 A CB -1.599 17.298 19.000 -0.173 0.000 1.070 3 A HN 0.480 nan 8.150 nan 0.000 0.747 4 N N -0.289 118.297 118.700 -0.189 0.000 2.557 4 N HA 0.042 4.782 4.740 -0.000 0.000 0.217 4 N C -0.495 174.977 175.510 -0.063 0.000 1.062 4 N CA 0.712 53.702 53.050 -0.099 0.000 0.863 4 N CB 0.337 38.778 38.487 -0.076 0.000 1.390 4 N HN 0.498 nan 8.380 nan 0.000 0.445 5 D N 2.158 122.495 120.400 -0.105 0.000 2.472 5 D HA 0.066 4.706 4.640 -0.000 0.000 0.248 5 D C -0.490 175.942 176.300 0.219 0.000 1.174 5 D CA 0.577 54.601 54.000 0.040 0.000 0.883 5 D CB 0.167 40.986 40.800 0.032 0.000 1.149 5 D HN 0.165 nan 8.370 nan 0.000 0.488 6 N N 1.504 120.349 118.700 0.241 0.000 2.438 6 N HA 0.311 5.051 4.740 -0.000 0.000 0.282 6 N C -0.855 174.842 175.510 0.312 0.000 1.037 6 N CA -0.515 52.700 53.050 0.274 0.000 0.942 6 N CB 1.907 40.494 38.487 0.166 0.000 1.136 6 N HN 0.151 nan 8.380 nan 0.000 0.481 7 V N 2.693 122.764 119.914 0.261 0.000 2.513 7 V HA 0.474 4.594 4.120 -0.000 0.000 0.299 7 V C -0.784 175.309 176.094 -0.002 0.000 1.035 7 V CA -0.543 61.788 62.300 0.050 0.000 0.889 7 V CB 1.637 33.288 31.823 -0.286 0.000 0.988 7 V HN 0.319 nan 8.190 nan 0.000 0.440 8 V N 8.057 127.950 119.914 -0.035 0.000 2.444 8 V HA 0.531 4.651 4.120 -0.000 0.000 0.294 8 V C -0.223 175.800 176.094 -0.117 0.000 1.022 8 V CA -0.430 61.840 62.300 -0.050 0.000 0.850 8 V CB 1.679 33.500 31.823 -0.004 0.000 0.992 8 V HN 0.740 nan 8.190 nan 0.000 0.426 9 I N 5.155 125.668 120.570 -0.094 0.000 2.362 9 I HA 0.429 4.598 4.170 -0.000 0.000 0.289 9 I C -0.424 175.651 176.117 -0.070 0.000 0.994 9 I CA -0.850 60.391 61.300 -0.098 0.000 1.158 9 I CB 1.923 39.868 38.000 -0.091 0.000 1.315 9 I HN 0.240 nan 8.210 nan 0.000 0.451 10 V N 5.607 125.475 119.914 -0.076 0.000 2.348 10 V HA 0.755 4.875 4.120 -0.000 0.000 0.270 10 V C 0.518 176.583 176.094 -0.047 0.000 1.037 10 V CA -0.285 61.982 62.300 -0.056 0.000 0.872 10 V CB 0.520 32.307 31.823 -0.061 0.000 1.002 10 V HN 1.071 nan 8.190 nan 0.000 0.464 11 G N 3.326 112.105 108.800 -0.036 0.000 3.326 11 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.681 11 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.681 11 G C -0.135 174.748 174.900 -0.028 0.000 1.255 11 G CA -0.353 44.727 45.100 -0.034 0.000 0.976 11 G HN 1.011 nan 8.290 nan 0.000 0.563 12 T N 0.329 114.868 114.554 -0.025 0.000 3.260 12 T HA 0.617 4.967 4.350 -0.000 0.000 0.254 12 T C 1.243 175.918 174.700 -0.041 0.000 0.951 12 T CA 0.712 62.805 62.100 -0.012 0.000 0.918 12 T CB 0.803 69.668 68.868 -0.006 0.000 1.098 12 T HN 1.541 nan 8.240 nan 0.000 0.563 13 G N 0.821 109.586 108.800 -0.058 0.000 2.537 13 G HA2 0.476 4.436 3.960 -0.000 0.000 0.297 13 G HA3 0.476 4.436 3.960 -0.000 0.000 0.297 13 G C 0.775 175.624 174.900 -0.086 0.000 1.310 13 G CA -0.793 44.249 45.100 -0.097 0.000 1.027 13 G HN 0.315 nan 8.290 nan 0.000 0.505 14 L N 0.409 121.568 121.223 -0.107 0.000 2.043 14 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 14 L C 2.928 179.768 176.870 -0.050 0.000 1.075 14 L CA 2.931 57.720 54.840 -0.085 0.000 0.752 14 L CB -0.763 41.255 42.059 -0.068 0.000 0.891 14 L HN 0.568 nan 8.230 nan 0.000 0.432 15 A N -0.368 122.421 122.820 -0.051 0.000 1.841 15 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 15 A C 2.392 179.954 177.584 -0.036 0.000 1.199 15 A CA 1.880 53.890 52.037 -0.044 0.000 0.621 15 A CB -1.758 17.213 19.000 -0.049 0.000 0.835 15 A HN 0.526 nan 8.150 nan 0.000 0.445 16 G N -0.824 107.955 108.800 -0.035 0.000 2.440 16 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.218 16 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.218 16 G C 1.497 176.398 174.900 0.003 0.000 1.154 16 G CA 1.389 46.471 45.100 -0.029 0.000 0.767 16 G HN 0.361 nan 8.290 nan 0.000 0.552 17 V N 0.673 120.609 119.914 0.035 0.000 2.427 17 V HA -0.113 4.007 4.120 -0.000 0.000 0.248 17 V C 2.621 178.803 176.094 0.146 0.000 1.051 17 V CA 2.145 64.517 62.300 0.120 0.000 1.048 17 V CB -0.222 31.666 31.823 0.108 0.000 0.666 17 V HN 0.439 nan 8.190 nan 0.000 0.456 18 E N 0.298 120.531 120.200 0.054 0.000 2.150 18 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 18 E C 1.979 178.601 176.600 0.036 0.000 0.985 18 E CA 1.137 57.566 56.400 0.047 0.000 0.814 18 E CB -0.246 29.457 29.700 0.004 0.000 0.752 18 E HN 0.366 nan 8.360 nan 0.000 0.466 19 V N 0.551 120.460 119.914 -0.008 0.000 2.379 19 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 19 V C 2.319 178.355 176.094 -0.096 0.000 1.044 19 V CA 1.600 63.863 62.300 -0.062 0.000 1.036 19 V CB -0.892 30.874 31.823 -0.094 0.000 0.664 19 V HN 0.432 nan 8.190 nan 0.000 0.453 20 A N -0.076 122.691 122.820 -0.087 0.000 1.851 20 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 20 A C 2.022 179.454 177.584 -0.253 0.000 1.195 20 A CA 2.188 54.108 52.037 -0.195 0.000 0.622 20 A CB -0.867 18.015 19.000 -0.196 0.000 0.831 20 A HN 0.475 nan 8.150 nan 0.000 0.444 21 F N 0.265 120.142 119.950 -0.123 0.000 2.325 21 F HA 0.051 4.578 4.527 -0.000 0.000 0.299 21 F C 2.591 178.349 175.800 -0.071 0.000 1.090 21 F CA 0.821 58.757 58.000 -0.107 0.000 1.392 21 F CB -0.652 38.269 39.000 -0.131 0.000 1.053 21 F HN 0.294 nan 8.300 nan 0.000 0.521 22 G N 0.098 108.947 108.800 0.082 0.000 2.421 22 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 22 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 22 G C 1.649 176.551 174.900 0.003 0.000 1.171 22 G CA 0.576 45.697 45.100 0.036 0.000 0.775 22 G HN 0.127 nan 8.290 nan 0.000 0.543 23 L N 0.615 121.796 121.223 -0.070 0.000 1.971 23 L HA -0.040 4.300 4.340 -0.000 0.000 0.215 23 L C 2.756 179.652 176.870 0.043 0.000 1.072 23 L CA 1.812 56.591 54.840 -0.101 0.000 0.758 23 L CB -0.827 41.011 42.059 -0.368 0.000 0.889 23 L HN 0.182 nan 8.230 nan 0.000 0.433 24 R N -0.601 119.901 120.500 0.003 0.000 2.293 24 R HA -0.038 4.302 4.340 -0.000 0.000 0.219 24 R C 1.842 178.185 176.300 0.072 0.000 1.091 24 R CA 1.182 57.317 56.100 0.059 0.000 1.004 24 R CB -0.333 29.938 30.300 -0.048 0.000 0.865 24 R HN 0.414 nan 8.270 nan 0.000 0.469 25 A N -1.630 121.232 122.820 0.069 0.000 2.044 25 A HA 0.138 4.458 4.320 -0.000 0.000 0.213 25 A C 1.506 179.132 177.584 0.070 0.000 1.169 25 A CA 0.644 52.724 52.037 0.073 0.000 0.724 25 A CB 0.178 19.224 19.000 0.077 0.000 0.840 25 A HN 0.242 nan 8.150 nan 0.000 0.463 26 S N -0.499 115.249 115.700 0.080 0.000 2.660 26 S HA 0.398 4.868 4.470 -0.000 0.000 0.227 26 S C 1.032 175.695 174.600 0.106 0.000 0.948 26 S CA 0.521 58.770 58.200 0.082 0.000 0.948 26 S CB -0.064 63.184 63.200 0.079 0.000 0.779 26 S HN 1.526 nan 8.310 nan 0.000 0.487 27 G N 1.717 110.584 108.800 0.111 0.000 2.204 27 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 27 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 27 G C -0.330 174.656 174.900 0.144 0.000 1.062 27 G CA -0.412 44.749 45.100 0.102 0.000 0.798 27 G HN 0.575 nan 8.290 nan 0.000 0.496 28 W N 1.073 122.366 121.300 -0.011 0.000 2.331 28 W HA 0.590 5.250 4.660 -0.000 0.000 0.306 28 W C 0.377 176.884 176.519 -0.019 0.000 1.162 28 W CA -0.524 56.812 57.345 -0.014 0.000 1.232 28 W CB 1.074 30.522 29.460 -0.020 0.000 1.235 28 W HN 0.257 nan 8.180 nan 0.000 0.479 29 E N 3.041 123.040 120.200 -0.334 0.000 2.431 29 E HA 0.094 4.444 4.350 -0.000 0.000 0.200 29 E C 1.232 177.675 176.600 -0.262 0.000 0.995 29 E CA -0.005 56.268 56.400 -0.211 0.000 0.915 29 E CB 0.425 30.014 29.700 -0.186 0.000 0.930 29 E HN 0.607 nan 8.360 nan 0.000 0.496 30 G N 0.959 109.351 108.800 -0.680 0.000 2.712 30 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.258 30 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.258 30 G C 0.198 175.230 174.900 0.220 0.000 1.241 30 G CA -0.486 44.448 45.100 -0.275 0.000 0.923 30 G HN 0.127 nan 8.290 nan 0.000 0.548 31 N N -0.679 118.166 118.700 0.242 0.000 2.530 31 N HA 0.279 5.019 4.740 -0.000 0.000 0.277 31 N C -0.435 175.227 175.510 0.254 0.000 1.168 31 N CA 0.176 53.349 53.050 0.205 0.000 0.979 31 N CB 1.700 40.258 38.487 0.118 0.000 1.141 31 N HN 0.250 nan 8.380 nan 0.000 0.459 32 I N 1.680 122.324 120.570 0.123 0.000 2.447 32 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 32 I C 0.122 176.235 176.117 -0.006 0.000 1.023 32 I CA -0.537 60.772 61.300 0.015 0.000 1.083 32 I CB 1.771 39.720 38.000 -0.085 0.000 1.245 32 I HN 0.169 nan 8.210 nan 0.000 0.434 33 R N 6.024 126.518 120.500 -0.009 0.000 2.494 33 R HA 0.687 5.026 4.340 -0.000 0.000 0.305 33 R C -1.313 174.976 176.300 -0.018 0.000 0.959 33 R CA -0.840 55.259 56.100 -0.002 0.000 0.864 33 R CB 2.319 32.630 30.300 0.018 0.000 1.159 33 R HN 0.535 nan 8.270 nan 0.000 0.446 34 L N 3.974 125.195 121.223 -0.004 0.000 2.298 34 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 34 L C -0.879 175.987 176.870 -0.006 0.000 1.013 34 L CA -0.887 53.953 54.840 -0.001 0.000 0.824 34 L CB 1.934 44.020 42.059 0.045 0.000 1.221 34 L HN 0.295 nan 8.230 nan 0.000 0.418 35 V N 2.658 122.563 119.914 -0.015 0.000 2.378 35 V HA 0.771 4.891 4.120 -0.000 0.000 0.288 35 V C 0.310 176.393 176.094 -0.019 0.000 1.016 35 V CA -0.491 61.799 62.300 -0.016 0.000 0.840 35 V CB 1.465 33.281 31.823 -0.012 0.000 0.994 35 V HN 0.834 nan 8.190 nan 0.000 0.431 36 G N 2.266 111.054 108.800 -0.021 0.000 2.620 36 G HA2 0.541 4.501 3.960 -0.000 0.000 0.301 36 G HA3 0.541 4.501 3.960 -0.000 0.000 0.301 36 G C 0.095 174.984 174.900 -0.019 0.000 1.347 36 G CA -0.351 44.737 45.100 -0.021 0.000 0.971 36 G HN 0.647 nan 8.290 nan 0.000 0.488 37 D N 0.587 120.977 120.400 -0.016 0.000 2.277 37 D HA 0.097 4.737 4.640 -0.000 0.000 0.208 37 D C 1.451 177.746 176.300 -0.009 0.000 0.962 37 D CA 0.583 54.575 54.000 -0.013 0.000 0.865 37 D CB -0.155 40.637 40.800 -0.012 0.000 0.939 37 D HN 0.552 nan 8.370 nan 0.000 0.510 38 A N 0.171 122.987 122.820 -0.007 0.000 2.462 38 A HA 0.327 4.647 4.320 -0.000 0.000 0.243 38 A C 1.239 178.821 177.584 -0.003 0.000 1.076 38 A CA 0.081 52.121 52.037 0.005 0.000 0.773 38 A CB 0.407 19.418 19.000 0.018 0.000 1.010 38 A HN 0.135 nan 8.150 nan 0.000 0.493 39 T N 1.219 115.773 114.554 0.001 0.000 3.009 39 T HA 0.080 4.430 4.350 -0.000 0.000 0.258 39 T C 1.135 175.824 174.700 -0.018 0.000 1.063 39 T CA 0.898 62.991 62.100 -0.012 0.000 1.139 39 T CB -0.590 68.273 68.868 -0.009 0.000 0.890 39 T HN 0.896 nan 8.240 nan 0.000 0.471 40 V N 0.721 120.639 119.914 0.008 0.000 3.287 40 V HA 0.294 4.414 4.120 -0.000 0.000 0.306 40 V C 0.443 176.537 176.094 -0.000 0.000 1.103 40 V CA -1.167 61.142 62.300 0.014 0.000 1.159 40 V CB -0.006 31.849 31.823 0.054 0.000 1.036 40 V HN 0.249 nan 8.190 nan 0.000 0.487 41 I N 2.889 123.440 120.570 -0.032 0.000 2.533 41 I HA 0.228 4.398 4.170 -0.000 0.000 0.284 41 I C -1.983 174.161 176.117 0.046 0.000 1.109 41 I CA -1.331 59.897 61.300 -0.121 0.000 1.412 41 I CB 0.499 38.281 38.000 -0.364 0.000 1.396 41 I HN 0.551 nan 8.210 nan 0.000 0.543 42 P HA -0.073 nan 4.420 nan 0.000 0.260 42 P C -0.869 176.466 177.300 0.060 0.000 1.172 42 P CA 0.788 63.903 63.100 0.026 0.000 0.760 42 P CB 0.149 31.895 31.700 0.077 0.000 0.773 43 H N 1.434 120.491 119.070 -0.022 0.000 2.908 43 H HA 0.421 4.977 4.556 -0.000 0.000 0.350 43 H C -0.361 174.889 175.328 -0.130 0.000 1.217 43 H CA -0.856 55.167 56.048 -0.042 0.000 1.168 43 H CB 0.857 30.631 29.762 0.020 0.000 1.891 43 H HN 0.391 nan 8.280 nan 0.000 0.566 44 H N 0.521 119.636 119.070 0.076 0.000 2.615 44 H HA 0.055 4.611 4.556 -0.000 0.000 0.363 44 H C 0.431 175.802 175.328 0.071 0.000 1.148 44 H CA -0.193 55.872 56.048 0.028 0.000 1.401 44 H CB 2.015 31.814 29.762 0.063 0.000 1.461 44 H HN 0.324 nan 8.280 nan 0.000 0.588 45 L N 3.503 124.806 121.223 0.133 0.000 2.349 45 L HA 0.109 4.449 4.340 -0.000 0.000 0.200 45 L C -0.717 176.198 176.870 0.075 0.000 1.064 45 L CA 0.232 55.123 54.840 0.085 0.000 0.821 45 L CB -1.412 40.642 42.059 -0.009 0.000 1.027 45 L HN 0.443 nan 8.230 nan 0.000 0.476 46 P HA -0.165 nan 4.420 nan 0.000 0.218 46 P C -1.466 175.879 177.300 0.076 0.000 1.152 46 P CA 1.788 64.892 63.100 0.008 0.000 0.857 46 P CB -0.871 30.854 31.700 0.042 0.000 0.787 47 P HA -0.074 nan 4.420 nan 0.000 0.221 47 P C 1.218 178.616 177.300 0.162 0.000 1.150 47 P CA 1.013 64.196 63.100 0.139 0.000 0.800 47 P CB -0.528 31.252 31.700 0.134 0.000 0.787 48 L N -0.900 120.409 121.223 0.143 0.000 2.450 48 L HA -0.089 4.251 4.340 -0.000 0.000 0.224 48 L C 1.482 178.412 176.870 0.100 0.000 1.149 48 L CA 1.584 56.518 54.840 0.157 0.000 0.816 48 L CB -0.895 41.239 42.059 0.125 0.000 0.932 48 L HN 0.148 nan 8.230 nan 0.000 0.449 49 S N -2.946 112.791 115.700 0.062 0.000 2.701 49 S HA 0.252 4.722 4.470 -0.000 0.000 0.242 49 S C 0.719 175.332 174.600 0.023 0.000 1.025 49 S CA -0.690 57.524 58.200 0.024 0.000 1.016 49 S CB 0.629 63.827 63.200 -0.003 0.000 0.977 49 S HN 0.319 nan 8.310 nan 0.000 0.546 50 K N 1.016 121.448 120.400 0.054 0.000 4.224 50 K HA 0.690 5.010 4.320 -0.000 0.000 0.287 50 K C 1.890 178.526 176.600 0.060 0.000 1.001 50 K CA 0.002 56.321 56.287 0.054 0.000 1.773 50 K CB -0.498 32.051 32.500 0.081 0.000 3.230 50 K HN 0.040 nan 8.250 nan 0.000 0.889 51 A N 0.626 123.494 122.820 0.081 0.000 1.902 51 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 51 A C 2.117 179.749 177.584 0.080 0.000 1.181 51 A CA 1.669 53.748 52.037 0.071 0.000 0.623 51 A CB -0.812 18.234 19.000 0.077 0.000 0.818 51 A HN 0.547 nan 8.150 nan 0.000 0.443 52 Y N -0.421 119.885 120.300 0.010 0.000 2.200 52 Y HA -0.098 4.452 4.550 -0.000 0.000 0.290 52 Y C 2.001 177.899 175.900 -0.004 0.000 1.137 52 Y CA 1.529 59.629 58.100 0.001 0.000 1.163 52 Y CB -0.298 38.166 38.460 0.007 0.000 0.988 52 Y HN 0.246 nan 8.280 nan 0.000 0.518 53 L N 0.211 121.466 121.223 0.052 0.000 2.261 53 L HA -0.085 4.255 4.340 -0.000 0.000 0.216 53 L C 2.106 178.929 176.870 -0.079 0.000 1.114 53 L CA 1.924 56.751 54.840 -0.020 0.000 0.777 53 L CB -0.845 41.226 42.059 0.021 0.000 0.910 53 L HN 0.239 nan 8.230 nan 0.000 0.440 54 A N -1.275 121.505 122.820 -0.066 0.000 2.251 54 A HA 0.394 4.714 4.320 -0.000 0.000 0.209 54 A C 1.699 179.220 177.584 -0.105 0.000 1.187 54 A CA 0.522 52.521 52.037 -0.063 0.000 0.823 54 A CB -0.811 18.174 19.000 -0.025 0.000 0.846 54 A HN 0.694 nan 8.150 nan 0.000 0.486 55 G N -0.177 108.502 108.800 -0.201 0.000 2.179 55 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.257 55 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.257 55 G C 0.636 175.452 174.900 -0.141 0.000 1.010 55 G CA 0.908 45.865 45.100 -0.237 0.000 0.736 55 G HN 0.577 nan 8.290 nan 0.000 0.513 56 K N -0.437 119.909 120.400 -0.090 0.000 2.358 56 K HA 0.567 4.887 4.320 -0.000 0.000 0.200 56 K C 0.860 177.460 176.600 0.000 0.000 1.030 56 K CA 0.603 56.870 56.287 -0.035 0.000 1.097 56 K CB 0.971 33.463 32.500 -0.014 0.000 0.862 56 K HN 0.598 nan 8.250 nan 0.000 0.534 57 A N 1.267 124.103 122.820 0.026 0.000 2.386 57 A HA 0.421 4.741 4.320 -0.000 0.000 0.311 57 A C -0.057 177.625 177.584 0.163 0.000 1.068 57 A CA -0.722 51.378 52.037 0.105 0.000 0.743 57 A CB 0.858 19.963 19.000 0.176 0.000 1.258 57 A HN 0.163 nan 8.150 nan 0.000 0.429 58 T N -0.508 114.109 114.554 0.107 0.000 2.860 58 T HA 0.470 4.820 4.350 -0.000 0.000 0.299 58 T C 1.311 176.094 174.700 0.140 0.000 1.045 58 T CA 0.143 62.303 62.100 0.100 0.000 1.071 58 T CB 1.225 70.100 68.868 0.012 0.000 0.985 58 T HN 1.436 nan 8.240 nan 0.000 0.537 59 A N 0.577 123.482 122.820 0.142 0.000 1.972 59 A HA -0.053 4.266 4.320 -0.000 0.000 0.219 59 A C 2.268 179.626 177.584 -0.377 0.000 1.169 59 A CA 1.673 53.682 52.037 -0.048 0.000 0.635 59 A CB -1.016 18.006 19.000 0.037 0.000 0.810 59 A HN 1.045 nan 8.150 nan 0.000 0.446 60 E N 0.601 120.570 120.200 -0.386 0.000 2.110 60 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 60 E C 1.981 178.199 176.600 -0.636 0.000 0.988 60 E CA 1.440 57.398 56.400 -0.738 0.000 0.804 60 E CB -0.121 29.404 29.700 -0.293 0.000 0.745 60 E HN 0.734 nan 8.360 nan 0.000 0.458 61 S N -0.040 115.490 115.700 -0.283 0.000 2.547 61 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 61 S C 1.859 176.409 174.600 -0.084 0.000 0.980 61 S CA 0.356 58.475 58.200 -0.135 0.000 0.941 61 S CB -0.235 62.937 63.200 -0.047 0.000 0.763 61 S HN 0.291 nan 8.310 nan 0.000 0.532 62 L N -0.397 120.713 121.223 -0.188 0.000 2.270 62 L HA 0.168 4.508 4.340 -0.000 0.000 0.210 62 L C 0.517 177.509 176.870 0.203 0.000 1.104 62 L CA 0.034 54.874 54.840 0.000 0.000 0.804 62 L CB -0.582 41.365 42.059 -0.187 0.000 0.937 62 L HN 0.338 nan 8.230 nan 0.000 0.450 63 Y N 0.897 121.252 120.300 0.091 0.000 2.881 63 Y HA -0.174 4.376 4.550 -0.000 0.000 0.335 63 Y C 1.627 177.516 175.900 -0.019 0.000 1.263 63 Y CA -0.779 57.354 58.100 0.055 0.000 1.572 63 Y CB 0.393 38.889 38.460 0.060 0.000 1.237 63 Y HN 0.108 nan 8.280 nan 0.000 0.568 64 L N 2.770 123.990 121.223 -0.004 0.000 2.017 64 L HA -0.148 4.191 4.340 -0.000 0.000 0.208 64 L C 0.958 177.761 176.870 -0.111 0.000 1.073 64 L CA 1.460 56.147 54.840 -0.254 0.000 0.745 64 L CB -0.246 41.663 42.059 -0.249 0.000 0.894 64 L HN 0.597 nan 8.230 nan 0.000 0.432 65 R N -0.549 119.922 120.500 -0.047 0.000 2.725 65 R HA 0.292 4.632 4.340 -0.000 0.000 0.277 65 R C -0.491 175.872 176.300 0.106 0.000 0.987 65 R CA -0.449 55.568 56.100 -0.137 0.000 0.901 65 R CB 1.587 31.512 30.300 -0.626 0.000 1.207 65 R HN 0.036 nan 8.270 nan 0.000 0.463 66 T N -0.669 113.946 114.554 0.101 0.000 2.855 66 T HA 0.115 4.465 4.350 -0.000 0.000 0.314 66 T C -1.709 173.106 174.700 0.192 0.000 1.077 66 T CA -0.962 61.234 62.100 0.159 0.000 1.095 66 T CB 0.537 69.487 68.868 0.137 0.000 0.987 66 T HN 0.210 nan 8.240 nan 0.000 0.546 67 P HA -0.056 nan 4.420 nan 0.000 0.218 67 P C 1.182 178.605 177.300 0.205 0.000 1.149 67 P CA 0.828 63.993 63.100 0.107 0.000 0.817 67 P CB 0.036 31.700 31.700 -0.060 0.000 0.785 68 D N -0.448 120.040 120.400 0.146 0.000 2.144 68 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 68 D C 1.975 178.377 176.300 0.171 0.000 0.984 68 D CA 1.472 55.551 54.000 0.131 0.000 0.834 68 D CB -0.620 40.236 40.800 0.093 0.000 0.955 68 D HN 0.077 nan 8.370 nan 0.000 0.465 69 A N 0.501 123.435 122.820 0.189 0.000 1.948 69 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 69 A C 2.000 179.745 177.584 0.269 0.000 1.177 69 A CA 1.247 53.400 52.037 0.194 0.000 0.636 69 A CB -1.043 17.998 19.000 0.068 0.000 0.815 69 A HN 0.232 nan 8.150 nan 0.000 0.449 70 Y N -0.091 120.359 120.300 0.250 0.000 2.145 70 Y HA -0.102 4.448 4.550 -0.000 0.000 0.286 70 Y C 2.933 178.857 175.900 0.040 0.000 1.145 70 Y CA 0.934 59.119 58.100 0.141 0.000 1.148 70 Y CB -0.777 37.736 38.460 0.089 0.000 0.981 70 Y HN 0.333 nan 8.280 nan 0.000 0.507 71 A N 0.364 123.313 122.820 0.215 0.000 1.841 71 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 71 A C 2.509 180.141 177.584 0.080 0.000 1.199 71 A CA 2.340 54.446 52.037 0.115 0.000 0.621 71 A CB -1.503 17.554 19.000 0.094 0.000 0.835 71 A HN 0.420 nan 8.150 nan 0.000 0.445 72 A N -1.465 121.409 122.820 0.090 0.000 1.903 72 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 72 A C 1.961 179.575 177.584 0.050 0.000 1.191 72 A CA 1.961 54.040 52.037 0.070 0.000 0.638 72 A CB -0.520 18.530 19.000 0.083 0.000 0.823 72 A HN 0.512 nan 8.150 nan 0.000 0.451 73 Q N -0.619 119.204 119.800 0.038 0.000 2.444 73 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 73 Q C 0.132 176.087 176.000 -0.074 0.000 0.948 73 Q CA 0.230 56.010 55.803 -0.037 0.000 0.946 73 Q CB -0.343 28.304 28.738 -0.152 0.000 1.027 73 Q HN 0.712 nan 8.270 nan 0.000 0.513 74 N N 0.574 119.258 118.700 -0.026 0.000 2.738 74 N HA -0.195 4.544 4.740 -0.000 0.000 0.249 74 N C -1.155 174.330 175.510 -0.042 0.000 1.047 74 N CA 0.386 53.429 53.050 -0.011 0.000 0.707 74 N CB -1.004 37.486 38.487 0.005 0.000 0.937 74 N HN 0.291 nan 8.380 nan 0.000 0.545 75 I N 1.833 122.358 120.570 -0.074 0.000 2.339 75 I HA 0.135 4.305 4.170 -0.000 0.000 0.290 75 I C 0.474 176.615 176.117 0.039 0.000 0.994 75 I CA -0.512 60.730 61.300 -0.097 0.000 1.191 75 I CB 1.507 39.309 38.000 -0.329 0.000 1.343 75 I HN -0.024 nan 8.210 nan 0.000 0.458 76 Q N 5.468 125.283 119.800 0.025 0.000 2.294 76 Q HA 0.375 4.715 4.340 -0.000 0.000 0.257 76 Q C -0.925 175.096 176.000 0.034 0.000 0.955 76 Q CA -0.554 55.269 55.803 0.032 0.000 0.936 76 Q CB 1.805 30.554 28.738 0.019 0.000 1.188 76 Q HN 0.365 nan 8.270 nan 0.000 0.420 77 L N 4.454 125.682 121.223 0.008 0.000 2.287 77 L HA 0.407 4.747 4.340 -0.000 0.000 0.287 77 L C -1.499 175.334 176.870 -0.062 0.000 1.022 77 L CA -0.252 54.562 54.840 -0.043 0.000 0.814 77 L CB 1.125 43.059 42.059 -0.207 0.000 1.217 77 L HN 0.629 nan 8.230 nan 0.000 0.420 78 L N 5.987 127.185 121.223 -0.041 0.000 2.384 78 L HA 0.618 4.958 4.340 -0.000 0.000 0.261 78 L C 0.285 177.132 176.870 -0.039 0.000 1.024 78 L CA -0.348 54.470 54.840 -0.036 0.000 0.899 78 L CB 0.749 42.798 42.059 -0.018 0.000 1.243 78 L HN 0.819 nan 8.230 nan 0.000 0.449 79 G N 1.016 109.785 108.800 -0.052 0.000 2.557 79 G HA2 0.438 4.398 3.960 -0.000 0.000 0.292 79 G HA3 0.438 4.398 3.960 -0.000 0.000 0.292 79 G C 0.792 175.674 174.900 -0.031 0.000 1.237 79 G CA 0.096 45.169 45.100 -0.044 0.000 0.978 79 G HN 0.882 nan 8.290 nan 0.000 0.498 80 G N -1.600 107.185 108.800 -0.024 0.000 2.212 80 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 80 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 80 G C 0.388 175.279 174.900 -0.014 0.000 1.002 80 G CA 0.965 46.055 45.100 -0.017 0.000 0.729 80 G HN 1.072 nan 8.290 nan 0.000 0.517 81 T N -0.040 114.505 114.554 -0.015 0.000 2.786 81 T HA 0.542 4.892 4.350 -0.000 0.000 0.283 81 T C -0.164 174.530 174.700 -0.010 0.000 0.992 81 T CA -0.407 61.687 62.100 -0.011 0.000 0.954 81 T CB 2.004 70.866 68.868 -0.010 0.000 0.934 81 T HN 0.401 nan 8.240 nan 0.000 0.440 82 Q N 3.251 123.046 119.800 -0.008 0.000 2.314 82 Q HA 0.462 4.801 4.340 -0.000 0.000 0.259 82 Q C -0.907 175.091 176.000 -0.005 0.000 0.951 82 Q CA -0.637 55.161 55.803 -0.008 0.000 0.909 82 Q CB 0.908 29.641 28.738 -0.008 0.000 1.236 82 Q HN 0.461 nan 8.270 nan 0.000 0.444 83 V N 4.491 124.401 119.914 -0.006 0.000 2.470 83 V HA 0.042 4.161 4.120 -0.000 0.000 0.276 83 V C 1.281 177.375 176.094 -0.000 0.000 1.040 83 V CA 0.652 62.952 62.300 -0.000 0.000 1.008 83 V CB 0.843 32.663 31.823 -0.005 0.000 0.990 83 V HN 1.034 nan 8.190 nan 0.000 0.477 84 T N 1.166 115.723 114.554 0.005 0.000 3.022 84 T HA 0.609 4.959 4.350 -0.000 0.000 0.250 84 T C 0.380 175.085 174.700 0.008 0.000 1.060 84 T CA 0.473 62.575 62.100 0.004 0.000 1.013 84 T CB 0.476 69.346 68.868 0.004 0.000 0.982 84 T HN 1.067 nan 8.240 nan 0.000 0.508 85 A N 0.495 123.325 122.820 0.017 0.000 2.597 85 A HA 0.685 5.005 4.320 -0.000 0.000 0.292 85 A C -1.847 175.763 177.584 0.045 0.000 1.057 85 A CA -1.031 51.021 52.037 0.024 0.000 0.674 85 A CB 0.772 19.785 19.000 0.022 0.000 1.278 85 A HN 0.355 nan 8.150 nan 0.000 0.416 86 I N 1.535 122.138 120.570 0.055 0.000 2.465 86 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 86 I C -0.809 175.368 176.117 0.099 0.000 1.014 86 I CA -0.843 60.519 61.300 0.102 0.000 1.093 86 I CB 2.164 40.217 38.000 0.088 0.000 1.267 86 I HN 0.504 nan 8.210 nan 0.000 0.431 87 N N 6.243 125.012 118.700 0.116 0.000 2.707 87 N HA 0.288 5.027 4.740 -0.000 0.000 0.235 87 N C 0.758 176.308 175.510 0.065 0.000 1.028 87 N CA -0.396 52.691 53.050 0.061 0.000 0.906 87 N CB 1.234 39.733 38.487 0.021 0.000 1.131 87 N HN 0.495 nan 8.380 nan 0.000 0.509 88 R N 0.517 121.073 120.500 0.093 0.000 2.105 88 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 88 R C 0.995 177.311 176.300 0.027 0.000 1.135 88 R CA 1.828 57.992 56.100 0.107 0.000 0.967 88 R CB -0.059 30.298 30.300 0.094 0.000 0.861 88 R HN 0.483 nan 8.270 nan 0.000 0.442 89 D N 0.799 121.204 120.400 0.008 0.000 2.088 89 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 89 D C 1.620 177.891 176.300 -0.048 0.000 0.992 89 D CA 1.351 55.343 54.000 -0.013 0.000 0.831 89 D CB -0.458 40.337 40.800 -0.008 0.000 0.973 89 D HN 0.052 nan 8.370 nan 0.000 0.447 90 R N -0.624 119.838 120.500 -0.064 0.000 2.236 90 R HA 0.170 4.510 4.340 -0.000 0.000 0.208 90 R C 0.197 176.378 176.300 -0.198 0.000 1.036 90 R CA 0.380 56.422 56.100 -0.098 0.000 1.001 90 R CB -0.365 29.890 30.300 -0.075 0.000 0.896 90 R HN 0.271 nan 8.270 nan 0.000 0.464 91 Q N 0.205 119.837 119.800 -0.281 0.000 2.454 91 Q HA -0.201 4.139 4.340 -0.000 0.000 0.307 91 Q C -1.077 174.357 176.000 -0.944 0.000 1.430 91 Q CA 0.505 55.861 55.803 -0.743 0.000 0.786 91 Q CB -1.270 27.087 28.738 -0.634 0.000 1.115 91 Q HN 0.448 nan 8.270 nan 0.000 0.389 92 Q N -0.480 119.078 119.800 -0.403 0.000 2.451 92 Q HA 0.766 5.106 4.340 -0.000 0.000 0.281 92 Q C -0.842 175.290 176.000 0.220 0.000 1.099 92 Q CA -0.920 54.831 55.803 -0.087 0.000 0.806 92 Q CB 2.895 31.605 28.738 -0.047 0.000 1.419 92 Q HN 0.093 nan 8.270 nan 0.000 0.427 93 V N 2.167 122.212 119.914 0.217 0.000 2.448 93 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 93 V C -0.635 175.511 176.094 0.086 0.000 1.025 93 V CA -0.533 61.869 62.300 0.171 0.000 0.859 93 V CB 1.619 33.533 31.823 0.152 0.000 0.988 93 V HN 0.607 nan 8.190 nan 0.000 0.431 94 I N 5.878 126.484 120.570 0.060 0.000 2.321 94 I HA 0.370 4.540 4.170 -0.000 0.000 0.291 94 I C 0.002 176.134 176.117 0.025 0.000 0.998 94 I CA -0.296 61.026 61.300 0.036 0.000 1.227 94 I CB 1.336 39.352 38.000 0.028 0.000 1.368 94 I HN 0.393 nan 8.210 nan 0.000 0.466 95 L N 4.502 125.737 121.223 0.019 0.000 2.475 95 L HA 0.195 4.535 4.340 -0.000 0.000 0.253 95 L C 1.637 178.511 176.870 0.007 0.000 1.198 95 L CA -0.186 54.661 54.840 0.011 0.000 0.814 95 L CB 0.921 42.985 42.059 0.009 0.000 1.134 95 L HN 0.692 nan 8.230 nan 0.000 0.478 96 S N -1.123 114.578 115.700 0.003 0.000 2.453 96 S HA -0.133 4.337 4.470 -0.000 0.000 0.231 96 S C 1.042 175.643 174.600 0.001 0.000 1.005 96 S CA 0.729 58.929 58.200 0.001 0.000 0.949 96 S CB -0.416 62.783 63.200 -0.002 0.000 0.774 96 S HN 0.838 nan 8.310 nan 0.000 0.510 97 D N 0.467 120.868 120.400 0.001 0.000 2.355 97 D HA 0.261 4.901 4.640 -0.000 0.000 0.218 97 D C 1.482 177.783 176.300 0.002 0.000 1.004 97 D CA 0.778 54.778 54.000 0.001 0.000 0.880 97 D CB -0.522 40.278 40.800 -0.000 0.000 0.911 97 D HN 0.553 nan 8.370 nan 0.000 0.528 98 G N -0.176 108.627 108.800 0.004 0.000 2.259 98 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 98 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 98 G C 0.456 175.360 174.900 0.006 0.000 1.001 98 G CA -0.065 45.037 45.100 0.004 0.000 0.627 98 G HN 0.462 nan 8.290 nan 0.000 0.501 99 R N 1.330 121.834 120.500 0.006 0.000 2.784 99 R HA 0.532 4.872 4.340 -0.000 0.000 0.266 99 R C 0.149 176.457 176.300 0.014 0.000 1.044 99 R CA 0.874 56.979 56.100 0.008 0.000 1.151 99 R CB 0.468 30.772 30.300 0.008 0.000 1.037 99 R HN 0.883 nan 8.270 nan 0.000 0.478 100 A N 3.979 126.808 122.820 0.015 0.000 2.414 100 A HA 0.590 4.910 4.320 -0.000 0.000 0.306 100 A C -1.126 176.475 177.584 0.028 0.000 1.054 100 A CA -0.754 51.297 52.037 0.023 0.000 0.724 100 A CB 1.325 20.334 19.000 0.014 0.000 1.267 100 A HN 0.583 nan 8.150 nan 0.000 0.418 101 L N 1.884 123.137 121.223 0.050 0.000 2.346 101 L HA 0.453 4.793 4.340 -0.000 0.000 0.276 101 L C -0.909 176.007 176.870 0.077 0.000 1.006 101 L CA -1.015 53.862 54.840 0.062 0.000 0.817 101 L CB 1.942 44.047 42.059 0.077 0.000 1.272 101 L HN 0.612 nan 8.230 nan 0.000 0.421 102 D N 1.666 122.094 120.400 0.046 0.000 2.225 102 D HA 0.447 5.087 4.640 -0.000 0.000 0.249 102 D C -1.024 175.328 176.300 0.086 0.000 1.052 102 D CA 0.207 54.202 54.000 -0.008 0.000 0.909 102 D CB 1.851 42.630 40.800 -0.035 0.000 1.186 102 D HN 0.340 nan 8.370 nan 0.000 0.431 103 Y N -1.654 118.664 120.300 0.029 0.000 2.534 103 Y HA 0.413 4.963 4.550 -0.000 0.000 0.345 103 Y C -0.250 175.680 175.900 0.050 0.000 1.031 103 Y CA -0.981 57.144 58.100 0.041 0.000 1.022 103 Y CB 1.360 39.837 38.460 0.028 0.000 1.292 103 Y HN 0.066 nan 8.280 nan 0.000 0.459 104 D N 1.038 121.626 120.400 0.315 0.000 2.380 104 D HA 0.128 4.768 4.640 -0.000 0.000 0.212 104 D C -0.168 176.325 176.300 0.321 0.000 1.021 104 D CA 0.673 54.818 54.000 0.242 0.000 0.884 104 D CB 0.506 41.423 40.800 0.194 0.000 1.001 104 D HN 0.375 nan 8.370 nan 0.000 0.506 105 R N 0.482 121.175 120.500 0.321 0.000 2.538 105 R HA 0.455 4.795 4.340 -0.000 0.000 0.292 105 R C -1.563 174.704 176.300 -0.055 0.000 1.008 105 R CA -0.646 55.539 56.100 0.142 0.000 0.896 105 R CB 1.742 32.092 30.300 0.083 0.000 1.187 105 R HN -0.083 nan 8.270 nan 0.000 0.440 106 L N 3.448 124.518 121.223 -0.255 0.000 2.362 106 L HA 0.688 5.028 4.340 -0.000 0.000 0.275 106 L C -1.362 175.348 176.870 -0.268 0.000 0.998 106 L CA -0.691 53.863 54.840 -0.476 0.000 0.820 106 L CB 2.192 43.633 42.059 -1.030 0.000 1.270 106 L HN 0.401 nan 8.230 nan 0.000 0.415 107 V N 6.320 126.103 119.914 -0.218 0.000 2.448 107 V HA 0.427 4.547 4.120 -0.000 0.000 0.295 107 V C -0.174 175.844 176.094 -0.126 0.000 1.025 107 V CA -0.561 61.648 62.300 -0.150 0.000 0.859 107 V CB 1.686 33.424 31.823 -0.142 0.000 0.988 107 V HN 0.572 nan 8.190 nan 0.000 0.431 108 L N 4.620 125.786 121.223 -0.095 0.000 2.287 108 L HA 0.571 4.911 4.340 -0.000 0.000 0.280 108 L C 0.718 177.556 176.870 -0.053 0.000 1.055 108 L CA -0.281 54.516 54.840 -0.073 0.000 0.863 108 L CB 1.146 43.170 42.059 -0.058 0.000 1.245 108 L HN 0.759 nan 8.230 nan 0.000 0.432 109 A N 1.180 123.967 122.820 -0.055 0.000 3.264 109 A HA 0.222 4.542 4.320 -0.000 0.000 0.299 109 A C 1.393 178.952 177.584 -0.042 0.000 1.272 109 A CA -0.202 51.807 52.037 -0.047 0.000 1.030 109 A CB -0.417 18.553 19.000 -0.050 0.000 1.102 109 A HN 0.726 nan 8.150 nan 0.000 0.615 110 T N -3.134 111.398 114.554 -0.037 0.000 3.160 110 T HA 0.353 4.703 4.350 -0.000 0.000 0.257 110 T C 1.418 176.097 174.700 -0.034 0.000 1.147 110 T CA 0.983 63.063 62.100 -0.034 0.000 1.064 110 T CB -0.552 68.298 68.868 -0.030 0.000 0.949 110 T HN 1.760 nan 8.240 nan 0.000 0.526 111 G N 0.769 109.549 108.800 -0.034 0.000 2.602 111 G HA2 0.156 4.116 3.960 -0.000 0.000 0.306 111 G HA3 0.156 4.116 3.960 -0.000 0.000 0.306 111 G C 0.176 175.056 174.900 -0.034 0.000 1.301 111 G CA -0.111 44.967 45.100 -0.037 0.000 0.974 111 G HN 1.391 nan 8.290 nan 0.000 0.547 112 G N -1.238 107.539 108.800 -0.039 0.000 2.725 112 G HA2 0.861 4.821 3.960 -0.000 0.000 0.288 112 G HA3 0.861 4.821 3.960 -0.000 0.000 0.288 112 G C -0.574 174.300 174.900 -0.043 0.000 1.399 112 G CA 0.054 45.131 45.100 -0.039 0.000 0.859 112 G HN 1.296 nan 8.290 nan 0.000 0.479 113 R N -0.480 119.990 120.500 -0.050 0.000 2.740 113 R HA 0.637 4.977 4.340 -0.000 0.000 0.282 113 R C -3.021 173.230 176.300 -0.082 0.000 0.969 113 R CA -1.833 54.227 56.100 -0.065 0.000 0.918 113 R CB 1.932 32.189 30.300 -0.071 0.000 1.175 113 R HN 0.186 nan 8.270 nan 0.000 0.464 114 P HA -0.078 nan 4.420 nan 0.000 0.262 114 P C -0.855 176.339 177.300 -0.177 0.000 1.182 114 P CA 0.019 63.037 63.100 -0.137 0.000 0.761 114 P CB 0.476 32.039 31.700 -0.229 0.000 0.795 115 R N 5.611 126.068 120.500 -0.073 0.000 2.370 115 R HA 0.190 4.530 4.340 -0.000 0.000 0.309 115 R C -2.282 174.003 176.300 -0.026 0.000 1.059 115 R CA -1.500 54.576 56.100 -0.040 0.000 0.981 115 R CB -0.233 30.075 30.300 0.013 0.000 0.972 115 R HN 0.330 nan 8.270 nan 0.000 0.437 116 P HA -0.034 nan 4.420 nan 0.000 0.271 116 P C -1.011 176.397 177.300 0.181 0.000 1.216 116 P CA -0.352 62.758 63.100 0.016 0.000 0.771 116 P CB 0.574 32.256 31.700 -0.030 0.000 0.864 117 L N 7.586 129.025 121.223 0.361 0.000 2.325 117 L HA 0.287 4.627 4.340 -0.000 0.000 0.284 117 L C -1.698 175.287 176.870 0.193 0.000 1.089 117 L CA -1.924 53.090 54.840 0.289 0.000 0.836 117 L CB 0.353 42.647 42.059 0.393 0.000 1.184 117 L HN 0.307 nan 8.230 nan 0.000 0.444 118 P HA -0.240 nan 4.420 nan 0.000 0.216 118 P C 1.353 178.706 177.300 0.088 0.000 1.157 118 P CA 1.860 65.009 63.100 0.082 0.000 0.880 118 P CB -0.089 31.646 31.700 0.058 0.000 0.791 119 V N -4.059 115.926 119.914 0.118 0.000 3.541 119 V HA 0.241 4.361 4.120 -0.000 0.000 0.272 119 V C 1.401 177.668 176.094 0.289 0.000 1.215 119 V CA 1.228 63.614 62.300 0.143 0.000 1.176 119 V CB -1.607 30.258 31.823 0.070 0.000 0.854 119 V HN 0.050 nan 8.190 nan 0.000 0.496 120 A N 0.119 123.039 122.820 0.168 0.000 2.594 120 A HA 0.574 4.894 4.320 -0.000 0.000 0.287 120 A C 1.064 178.517 177.584 -0.219 0.000 1.227 120 A CA 0.282 52.235 52.037 -0.139 0.000 0.952 120 A CB -0.223 18.520 19.000 -0.428 0.000 1.161 120 A HN 0.591 nan 8.150 nan 0.000 0.524 121 S N -0.675 114.983 115.700 -0.070 0.000 2.617 121 S HA 0.566 5.036 4.470 -0.000 0.000 0.259 121 S C 1.289 175.832 174.600 -0.096 0.000 1.301 121 S CA -0.000 58.161 58.200 -0.064 0.000 0.984 121 S CB 0.232 63.421 63.200 -0.019 0.000 0.954 121 S HN 1.885 nan 8.310 nan 0.000 0.572 122 G N 1.222 109.981 108.800 -0.069 0.000 2.614 122 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.303 122 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.303 122 G C 1.102 175.943 174.900 -0.098 0.000 1.270 122 G CA 0.882 45.942 45.100 -0.066 0.000 0.988 122 G HN 1.672 nan 8.290 nan 0.000 0.551 123 A N -1.285 121.483 122.820 -0.086 0.000 1.915 123 A HA -0.051 4.269 4.320 -0.000 0.000 0.220 123 A C 2.833 180.315 177.584 -0.170 0.000 1.198 123 A CA 4.165 56.144 52.037 -0.097 0.000 0.647 123 A CB -0.988 17.970 19.000 -0.070 0.000 0.825 123 A HN 1.601 nan 8.150 nan 0.000 0.456 124 V N -0.249 119.506 119.914 -0.265 0.000 2.219 124 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 124 V C 2.874 178.595 176.094 -0.623 0.000 1.053 124 V CA 2.358 64.341 62.300 -0.528 0.000 1.009 124 V CB -1.729 29.609 31.823 -0.808 0.000 0.636 124 V HN 0.653 nan 8.190 nan 0.000 0.445 125 G N 0.249 108.714 108.800 -0.559 0.000 2.469 125 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 125 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 125 G C 1.523 176.393 174.900 -0.050 0.000 1.150 125 G CA 0.881 45.787 45.100 -0.324 0.000 0.763 125 G HN 0.457 nan 8.290 nan 0.000 0.561 126 K N 1.236 121.594 120.400 -0.069 0.000 2.280 126 K HA 0.094 4.414 4.320 -0.000 0.000 0.202 126 K C 1.568 178.169 176.600 0.001 0.000 1.047 126 K CA 0.591 56.870 56.287 -0.015 0.000 0.942 126 K CB -0.733 31.749 32.500 -0.030 0.000 0.739 126 K HN 0.347 nan 8.250 nan 0.000 0.457 127 A N 2.556 125.363 122.820 -0.023 0.000 2.531 127 A HA -0.023 4.297 4.320 -0.000 0.000 0.236 127 A C 1.009 178.620 177.584 0.046 0.000 1.062 127 A CA -0.144 51.895 52.037 0.002 0.000 0.760 127 A CB 0.139 19.127 19.000 -0.019 0.000 0.995 127 A HN 0.223 nan 8.150 nan 0.000 0.501 128 N N 1.423 120.139 118.700 0.028 0.000 2.364 128 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 128 N C 0.659 176.183 175.510 0.024 0.000 1.022 128 N CA 1.421 54.487 53.050 0.026 0.000 0.883 128 N CB -0.100 38.395 38.487 0.014 0.000 0.965 128 N HN 0.844 nan 8.380 nan 0.000 0.438 129 N N -0.413 118.305 118.700 0.029 0.000 2.279 129 N HA -0.017 4.723 4.740 -0.000 0.000 0.226 129 N C -0.828 174.690 175.510 0.014 0.000 1.126 129 N CA -0.344 52.712 53.050 0.011 0.000 0.846 129 N CB -0.516 37.977 38.487 0.010 0.000 1.050 129 N HN 0.056 nan 8.380 nan 0.000 0.502 130 F N 1.123 121.009 119.950 -0.108 0.000 2.553 130 F HA 0.550 5.077 4.527 -0.000 0.000 0.335 130 F C -0.735 174.978 175.800 -0.145 0.000 1.148 130 F CA -0.719 57.179 58.000 -0.169 0.000 0.963 130 F CB 1.204 40.052 39.000 -0.253 0.000 1.217 130 F HN -0.210 nan 8.300 nan 0.000 0.441 131 R N 4.134 124.299 120.500 -0.559 0.000 2.836 131 R HA 0.404 4.744 4.340 -0.000 0.000 0.269 131 R C -1.760 174.243 176.300 -0.494 0.000 1.010 131 R CA -0.940 54.986 56.100 -0.290 0.000 0.930 131 R CB 2.247 32.477 30.300 -0.116 0.000 1.218 131 R HN 0.624 nan 8.270 nan 0.000 0.473 132 Y N 0.195 120.428 120.300 -0.113 0.000 2.534 132 Y HA 0.481 5.031 4.550 -0.000 0.000 0.329 132 Y C 0.068 175.934 175.900 -0.057 0.000 1.154 132 Y CA -0.938 57.113 58.100 -0.081 0.000 1.192 132 Y CB 1.172 39.627 38.460 -0.008 0.000 1.275 132 Y HN 0.251 nan 8.280 nan 0.000 0.491 133 L N 3.011 124.298 121.223 0.107 0.000 2.324 133 L HA 0.517 4.857 4.340 -0.000 0.000 0.274 133 L C -0.054 176.853 176.870 0.062 0.000 1.012 133 L CA 0.047 54.921 54.840 0.057 0.000 0.859 133 L CB 0.488 42.554 42.059 0.011 0.000 1.224 133 L HN 0.731 nan 8.230 nan 0.000 0.429 134 R N 1.301 121.842 120.500 0.068 0.000 2.771 134 R HA 0.192 4.532 4.340 -0.000 0.000 0.177 134 R C 0.043 176.386 176.300 0.072 0.000 0.937 134 R CA 1.010 57.140 56.100 0.051 0.000 1.536 134 R CB 0.512 30.831 30.300 0.031 0.000 1.696 134 R HN 0.674 nan 8.270 nan 0.000 0.550 135 T N -1.376 113.228 114.554 0.083 0.000 2.952 135 T HA 0.260 4.610 4.350 -0.000 0.000 0.286 135 T C 1.242 175.999 174.700 0.094 0.000 1.024 135 T CA -0.649 61.516 62.100 0.109 0.000 1.029 135 T CB 1.549 70.463 68.868 0.078 0.000 1.094 135 T HN -0.055 nan 8.240 nan 0.000 0.515 136 L N 0.750 122.007 121.223 0.056 0.000 2.043 136 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 136 L C 2.579 179.444 176.870 -0.009 0.000 1.075 136 L CA 2.239 57.010 54.840 -0.115 0.000 0.752 136 L CB -1.072 40.764 42.059 -0.371 0.000 0.891 136 L HN 0.998 nan 8.230 nan 0.000 0.432 137 E N -0.914 119.295 120.200 0.014 0.000 2.051 137 E HA -0.254 4.096 4.350 -0.000 0.000 0.192 137 E C 1.739 178.366 176.600 0.044 0.000 0.991 137 E CA 1.484 57.902 56.400 0.031 0.000 0.799 137 E CB -0.110 29.608 29.700 0.031 0.000 0.748 137 E HN 0.572 nan 8.360 nan 0.000 0.449 138 D N 0.410 120.841 120.400 0.052 0.000 2.116 138 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 138 D C 1.866 178.193 176.300 0.046 0.000 0.998 138 D CA 1.503 55.535 54.000 0.053 0.000 0.836 138 D CB -0.336 40.504 40.800 0.067 0.000 0.951 138 D HN 0.325 nan 8.370 nan 0.000 0.449 139 A N 1.234 124.094 122.820 0.067 0.000 1.877 139 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 139 A C 2.100 179.732 177.584 0.080 0.000 1.186 139 A CA 1.595 53.686 52.037 0.091 0.000 0.620 139 A CB -0.567 18.533 19.000 0.166 0.000 0.822 139 A HN 0.230 nan 8.150 nan 0.000 0.443 140 E N -1.107 119.151 120.200 0.096 0.000 2.106 140 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 140 E C 2.065 178.675 176.600 0.017 0.000 0.984 140 E CA 1.006 57.442 56.400 0.060 0.000 0.806 140 E CB -0.412 29.340 29.700 0.087 0.000 0.750 140 E HN 0.692 nan 8.360 nan 0.000 0.458 141 C N 0.753 120.065 119.300 0.021 0.000 2.425 141 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 141 C C 2.508 177.493 174.990 -0.008 0.000 1.280 141 C CA 0.507 59.530 59.018 0.008 0.000 1.744 141 C CB -0.814 26.935 27.740 0.014 0.000 1.989 141 C HN 0.343 nan 8.230 nan 0.000 0.491 142 I N 0.106 120.669 120.570 -0.012 0.000 2.406 142 I HA -0.077 4.093 4.170 -0.000 0.000 0.249 142 I C 2.924 179.022 176.117 -0.032 0.000 1.122 142 I CA 0.962 62.244 61.300 -0.030 0.000 1.431 142 I CB -0.708 37.270 38.000 -0.036 0.000 1.087 142 I HN 0.301 nan 8.210 nan 0.000 0.424 143 R N 1.656 122.136 120.500 -0.034 0.000 2.081 143 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 143 R C 2.276 178.544 176.300 -0.053 0.000 1.131 143 R CA 1.535 57.600 56.100 -0.059 0.000 0.960 143 R CB -0.239 29.999 30.300 -0.104 0.000 0.856 143 R HN 0.312 nan 8.270 nan 0.000 0.436 144 R N 0.071 120.547 120.500 -0.040 0.000 2.200 144 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 144 R C 1.731 178.016 176.300 -0.026 0.000 1.127 144 R CA 1.326 57.406 56.100 -0.032 0.000 0.989 144 R CB -0.011 30.277 30.300 -0.020 0.000 0.869 144 R HN 0.451 nan 8.270 nan 0.000 0.459 145 Q N 0.067 119.852 119.800 -0.025 0.000 2.247 145 Q HA 0.169 4.508 4.340 -0.000 0.000 0.204 145 Q C -0.035 175.952 176.000 -0.021 0.000 0.872 145 Q CA -0.122 55.669 55.803 -0.021 0.000 0.951 145 Q CB 0.690 29.416 28.738 -0.021 0.000 1.099 145 Q HN 0.261 nan 8.270 nan 0.000 0.501 146 L N 2.408 123.615 121.223 -0.025 0.000 2.382 146 L HA 0.238 4.578 4.340 -0.000 0.000 0.259 146 L C -0.371 176.491 176.870 -0.013 0.000 1.291 146 L CA 0.079 54.907 54.840 -0.020 0.000 1.176 146 L CB -0.310 41.733 42.059 -0.027 0.000 1.373 146 L HN 0.121 nan 8.230 nan 0.000 0.426 147 I N 1.639 122.205 120.570 -0.006 0.000 2.359 147 I HA 0.343 4.513 4.170 -0.000 0.000 0.294 147 I C 0.916 177.038 176.117 0.009 0.000 0.987 147 I CA -0.556 60.744 61.300 -0.001 0.000 1.225 147 I CB 1.654 39.653 38.000 -0.002 0.000 1.366 147 I HN 0.407 nan 8.210 nan 0.000 0.466 148 A N 4.482 127.307 122.820 0.009 0.000 2.587 148 A HA -0.005 4.315 4.320 -0.000 0.000 0.233 148 A C 0.844 178.442 177.584 0.023 0.000 1.049 148 A CA 0.367 52.414 52.037 0.016 0.000 0.754 148 A CB -0.124 18.883 19.000 0.012 0.000 0.977 148 A HN 0.976 nan 8.150 nan 0.000 0.509 149 D N -0.488 119.935 120.400 0.037 0.000 3.006 149 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 149 D C 0.096 176.423 176.300 0.045 0.000 1.116 149 D CA 1.935 55.963 54.000 0.047 0.000 0.998 149 D CB -1.327 39.491 40.800 0.030 0.000 1.124 149 D HN 0.692 nan 8.370 nan 0.000 0.413 150 N N 0.230 118.952 118.700 0.037 0.000 2.445 150 N HA 0.297 5.037 4.740 -0.000 0.000 0.264 150 N C 0.078 175.617 175.510 0.048 0.000 1.227 150 N CA 0.056 53.122 53.050 0.025 0.000 0.963 150 N CB 0.644 39.140 38.487 0.015 0.000 1.188 150 N HN 0.071 nan 8.380 nan 0.000 0.491 151 R N 0.937 121.450 120.500 0.022 0.000 2.294 151 R HA 0.473 4.813 4.340 -0.000 0.000 0.319 151 R C -0.925 175.404 176.300 0.048 0.000 0.984 151 R CA -0.854 55.269 56.100 0.038 0.000 0.861 151 R CB 0.946 31.202 30.300 -0.073 0.000 1.104 151 R HN 0.339 nan 8.270 nan 0.000 0.451 152 L N 2.828 124.100 121.223 0.082 0.000 2.346 152 L HA 0.519 4.859 4.340 -0.000 0.000 0.276 152 L C -1.207 175.692 176.870 0.048 0.000 1.006 152 L CA -0.657 54.208 54.840 0.041 0.000 0.817 152 L CB 2.213 44.282 42.059 0.017 0.000 1.272 152 L HN 0.346 nan 8.230 nan 0.000 0.421 153 V N 5.661 125.587 119.914 0.020 0.000 2.407 153 V HA 0.462 4.582 4.120 -0.000 0.000 0.291 153 V C -0.483 175.596 176.094 -0.026 0.000 1.018 153 V CA -0.654 61.658 62.300 0.020 0.000 0.842 153 V CB 1.795 33.649 31.823 0.052 0.000 0.996 153 V HN 0.566 nan 8.190 nan 0.000 0.426 154 V N 6.722 126.611 119.914 -0.042 0.000 2.383 154 V HA 0.448 4.568 4.120 -0.000 0.000 0.275 154 V C 0.034 176.090 176.094 -0.063 0.000 1.036 154 V CA -0.288 61.964 62.300 -0.080 0.000 0.889 154 V CB 1.596 33.365 31.823 -0.091 0.000 0.985 154 V HN 0.677 nan 8.190 nan 0.000 0.459 155 I N 5.071 125.600 120.570 -0.069 0.000 2.307 155 I HA 0.707 4.877 4.170 -0.000 0.000 0.287 155 I C 0.624 176.717 176.117 -0.040 0.000 1.054 155 I CA 0.036 61.319 61.300 -0.028 0.000 1.218 155 I CB 1.067 39.087 38.000 0.033 0.000 1.398 155 I HN 0.839 nan 8.210 nan 0.000 0.475 156 G N 3.366 112.139 108.800 -0.045 0.000 2.634 156 G HA2 0.158 4.118 3.960 -0.000 0.000 0.568 156 G HA3 0.158 4.118 3.960 -0.000 0.000 0.568 156 G C -0.249 174.598 174.900 -0.087 0.000 1.495 156 G CA -0.569 44.500 45.100 -0.051 0.000 0.903 156 G HN 0.783 nan 8.290 nan 0.000 0.646 157 G N 0.355 109.097 108.800 -0.097 0.000 4.291 157 G HA2 0.675 4.635 3.960 -0.000 0.000 0.304 157 G HA3 0.675 4.635 3.960 -0.000 0.000 0.304 157 G C 0.707 175.488 174.900 -0.198 0.000 1.264 157 G CA 0.779 45.793 45.100 -0.144 0.000 1.039 157 G HN 1.189 nan 8.290 nan 0.000 0.578 158 G N -0.857 107.835 108.800 -0.179 0.000 2.522 158 G HA2 0.403 4.363 3.960 -0.000 0.000 0.304 158 G HA3 0.403 4.363 3.960 -0.000 0.000 0.304 158 G C 0.583 175.338 174.900 -0.242 0.000 1.210 158 G CA -0.678 44.289 45.100 -0.221 0.000 0.960 158 G HN 0.204 nan 8.290 nan 0.000 0.497 159 Y N -0.295 119.931 120.300 -0.122 0.000 2.151 159 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 159 Y C 2.833 178.666 175.900 -0.112 0.000 1.166 159 Y CA 0.992 59.023 58.100 -0.115 0.000 1.163 159 Y CB -0.094 38.335 38.460 -0.051 0.000 0.974 159 Y HN 0.197 nan 8.280 nan 0.000 0.511 160 I N -0.323 120.269 120.570 0.037 0.000 2.226 160 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 160 I C 2.664 178.750 176.117 -0.051 0.000 1.100 160 I CA 1.562 62.851 61.300 -0.017 0.000 1.374 160 I CB -1.995 35.986 38.000 -0.033 0.000 1.057 160 I HN 0.270 nan 8.210 nan 0.000 0.413 161 G N 1.317 110.069 108.800 -0.080 0.000 2.469 161 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 161 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 161 G C 1.843 176.653 174.900 -0.149 0.000 1.150 161 G CA 0.668 45.700 45.100 -0.113 0.000 0.763 161 G HN 0.360 nan 8.290 nan 0.000 0.561 162 L N -0.033 121.086 121.223 -0.173 0.000 2.093 162 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 162 L C 2.876 179.698 176.870 -0.080 0.000 1.085 162 L CA 1.083 55.786 54.840 -0.228 0.000 0.755 162 L CB -0.417 41.536 42.059 -0.178 0.000 0.904 162 L HN 0.292 nan 8.230 nan 0.000 0.435 163 E N -0.239 119.938 120.200 -0.038 0.000 2.072 163 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 163 E C 2.307 178.869 176.600 -0.063 0.000 0.985 163 E CA 1.145 57.522 56.400 -0.039 0.000 0.801 163 E CB -0.068 29.623 29.700 -0.015 0.000 0.750 163 E HN 0.257 nan 8.360 nan 0.000 0.452 164 V N 1.634 121.510 119.914 -0.062 0.000 2.261 164 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 164 V C 2.420 178.478 176.094 -0.058 0.000 1.047 164 V CA 1.942 64.207 62.300 -0.059 0.000 1.015 164 V CB -0.816 30.966 31.823 -0.067 0.000 0.642 164 V HN 0.321 nan 8.190 nan 0.000 0.446 165 A N -0.060 122.715 122.820 -0.076 0.000 1.948 165 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 165 A C 2.378 179.978 177.584 0.027 0.000 1.177 165 A CA 2.387 54.397 52.037 -0.046 0.000 0.636 165 A CB -0.783 18.140 19.000 -0.128 0.000 0.815 165 A HN 0.622 nan 8.150 nan 0.000 0.449 166 A N -1.371 121.424 122.820 -0.041 0.000 1.930 166 A HA -0.026 4.294 4.320 -0.000 0.000 0.217 166 A C 2.285 179.806 177.584 -0.105 0.000 1.175 166 A CA 2.142 54.019 52.037 -0.266 0.000 0.627 166 A CB -1.004 17.515 19.000 -0.802 0.000 0.815 166 A HN 0.436 nan 8.150 nan 0.000 0.443 167 T N 0.084 114.595 114.554 -0.071 0.000 2.812 167 T HA 0.095 4.445 4.350 -0.000 0.000 0.264 167 T C 2.237 176.939 174.700 0.002 0.000 1.042 167 T CA 1.259 63.343 62.100 -0.028 0.000 1.140 167 T CB -0.346 68.504 68.868 -0.030 0.000 0.870 167 T HN 0.549 nan 8.240 nan 0.000 0.445 168 A N 1.498 124.319 122.820 0.002 0.000 1.933 168 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 168 A C 2.233 179.839 177.584 0.037 0.000 1.175 168 A CA 0.931 52.975 52.037 0.011 0.000 0.628 168 A CB -0.631 18.370 19.000 0.003 0.000 0.814 168 A HN 0.353 nan 8.150 nan 0.000 0.444 169 I N -0.355 120.257 120.570 0.071 0.000 2.226 169 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 169 I C 2.339 178.511 176.117 0.093 0.000 1.100 169 I CA 1.445 62.806 61.300 0.101 0.000 1.374 169 I CB -0.737 37.389 38.000 0.210 0.000 1.057 169 I HN 0.215 nan 8.210 nan 0.000 0.413 170 K N 1.189 121.652 120.400 0.104 0.000 2.147 170 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 170 K C 1.718 178.343 176.600 0.042 0.000 1.049 170 K CA 1.268 57.604 56.287 0.081 0.000 0.936 170 K CB -0.238 32.306 32.500 0.074 0.000 0.722 170 K HN 0.280 nan 8.250 nan 0.000 0.446 171 A N 1.223 124.061 122.820 0.030 0.000 2.261 171 A HA 0.007 4.327 4.320 -0.000 0.000 0.208 171 A C 0.007 177.602 177.584 0.018 0.000 1.223 171 A CA 0.200 52.246 52.037 0.015 0.000 0.833 171 A CB -0.384 18.618 19.000 0.004 0.000 0.830 171 A HN 0.470 nan 8.150 nan 0.000 0.483 172 N N -1.224 117.491 118.700 0.026 0.000 2.747 172 N HA -0.149 4.591 4.740 -0.000 0.000 0.249 172 N C -0.170 175.358 175.510 0.031 0.000 1.107 172 N CA 1.302 54.366 53.050 0.024 0.000 0.707 172 N CB -1.514 36.984 38.487 0.018 0.000 1.054 172 N HN 0.636 nan 8.380 nan 0.000 0.555 173 M N -0.108 119.513 119.600 0.035 0.000 2.283 173 M HA 0.155 4.635 4.480 -0.000 0.000 0.314 173 M C 0.959 177.302 176.300 0.072 0.000 1.153 173 M CA -0.387 54.945 55.300 0.053 0.000 1.084 173 M CB 0.861 33.486 32.600 0.043 0.000 1.468 173 M HN 0.064 nan 8.290 nan 0.000 0.474 174 H N 1.760 120.834 119.070 0.007 0.000 2.782 174 H HA 0.410 4.966 4.556 -0.000 0.000 0.285 174 H C -1.835 173.497 175.328 0.007 0.000 1.093 174 H CA -0.271 55.782 56.048 0.008 0.000 1.410 174 H CB 0.276 30.041 29.762 0.005 0.000 1.439 174 H HN 0.329 nan 8.280 nan 0.000 0.469 175 V N 5.539 125.408 119.914 -0.076 0.000 2.513 175 V HA 0.308 4.428 4.120 -0.000 0.000 0.299 175 V C 0.223 176.300 176.094 -0.027 0.000 1.035 175 V CA -0.635 61.664 62.300 -0.002 0.000 0.889 175 V CB 1.836 33.658 31.823 -0.003 0.000 0.988 175 V HN 0.829 nan 8.190 nan 0.000 0.440 176 T N 5.729 120.306 114.554 0.038 0.000 2.879 176 T HA 0.601 4.951 4.350 -0.000 0.000 0.290 176 T C -0.861 173.837 174.700 -0.003 0.000 0.993 176 T CA -0.290 61.827 62.100 0.028 0.000 0.975 176 T CB 1.533 70.452 68.868 0.085 0.000 0.981 176 T HN 0.557 nan 8.240 nan 0.000 0.439 177 L N 4.512 125.718 121.223 -0.028 0.000 2.341 177 L HA 0.703 5.043 4.340 -0.000 0.000 0.278 177 L C -1.485 175.360 176.870 -0.041 0.000 1.005 177 L CA -0.860 53.948 54.840 -0.054 0.000 0.818 177 L CB 0.830 42.827 42.059 -0.104 0.000 1.259 177 L HN 0.571 nan 8.230 nan 0.000 0.418 178 L N 4.413 125.613 121.223 -0.037 0.000 2.322 178 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 178 L C -1.031 175.819 176.870 -0.033 0.000 1.014 178 L CA -0.599 54.224 54.840 -0.028 0.000 0.815 178 L CB 1.670 43.718 42.059 -0.019 0.000 1.247 178 L HN 0.553 nan 8.230 nan 0.000 0.421 179 D N 0.351 120.734 120.400 -0.028 0.000 2.879 179 D HA 0.201 4.840 4.640 -0.000 0.000 0.236 179 D C 0.765 177.056 176.300 -0.015 0.000 1.171 179 D CA -0.267 53.717 54.000 -0.027 0.000 0.868 179 D CB 2.447 43.226 40.800 -0.035 0.000 1.598 179 D HN 0.654 nan 8.370 nan 0.000 0.497 180 T N 0.267 114.814 114.554 -0.011 0.000 2.904 180 T HA 0.185 4.535 4.350 -0.000 0.000 0.267 180 T C 1.197 175.896 174.700 -0.001 0.000 1.059 180 T CA 0.561 62.658 62.100 -0.005 0.000 1.137 180 T CB -0.088 68.778 68.868 -0.002 0.000 0.879 180 T HN 0.438 nan 8.240 nan 0.000 0.467 181 A N 1.127 123.946 122.820 -0.001 0.000 2.492 181 A HA 0.645 4.965 4.320 -0.000 0.000 0.236 181 A C 1.977 179.568 177.584 0.012 0.000 1.078 181 A CA 0.174 52.215 52.037 0.006 0.000 0.773 181 A CB -0.396 18.607 19.000 0.005 0.000 1.023 181 A HN 0.672 nan 8.150 nan 0.000 0.504 182 A N 1.090 123.922 122.820 0.021 0.000 2.121 182 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 182 A C 1.039 178.643 177.584 0.034 0.000 1.154 182 A CA 1.479 53.532 52.037 0.026 0.000 0.679 182 A CB -0.284 18.735 19.000 0.031 0.000 0.795 182 A HN 0.955 nan 8.150 nan 0.000 0.458 183 R N -1.649 118.874 120.500 0.038 0.000 2.663 183 R HA 0.510 4.850 4.340 -0.000 0.000 0.267 183 R C -0.741 175.582 176.300 0.039 0.000 1.038 183 R CA -0.420 55.710 56.100 0.051 0.000 0.886 183 R CB 0.823 31.169 30.300 0.077 0.000 1.249 183 R HN 0.232 nan 8.270 nan 0.000 0.463 184 V N 0.537 120.473 119.914 0.037 0.000 2.763 184 V HA 0.161 4.281 4.120 -0.000 0.000 0.306 184 V C 0.641 176.726 176.094 -0.014 0.000 1.059 184 V CA -0.468 61.825 62.300 -0.012 0.000 1.138 184 V CB 0.061 31.868 31.823 -0.027 0.000 0.940 184 V HN 0.819 nan 8.190 nan 0.000 0.489 185 L N 1.345 122.511 121.223 -0.096 0.000 3.737 185 L HA -0.214 4.125 4.340 -0.000 0.000 0.418 185 L C 1.684 178.567 176.870 0.022 0.000 1.216 185 L CA 1.701 56.476 54.840 -0.108 0.000 0.915 185 L CB -2.336 39.604 42.059 -0.198 0.000 1.834 185 L HN 1.116 nan 8.230 nan 0.000 0.943 186 E N 0.079 120.300 120.200 0.034 0.000 2.070 186 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 186 E C 2.041 178.702 176.600 0.103 0.000 1.004 186 E CA 2.137 58.584 56.400 0.077 0.000 0.805 186 E CB 0.078 29.811 29.700 0.054 0.000 0.744 186 E HN 0.668 nan 8.360 nan 0.000 0.451 187 R N -0.182 120.360 120.500 0.071 0.000 2.148 187 R HA -0.060 4.280 4.340 -0.000 0.000 0.223 187 R C 2.309 178.680 176.300 0.118 0.000 1.088 187 R CA 1.309 57.459 56.100 0.083 0.000 0.985 187 R CB 0.028 30.354 30.300 0.043 0.000 0.880 187 R HN 0.297 nan 8.270 nan 0.000 0.451 188 V N -2.495 117.488 119.914 0.116 0.000 3.578 188 V HA 0.182 4.302 4.120 -0.000 0.000 0.290 188 V C 0.525 176.712 176.094 0.154 0.000 1.376 188 V CA 0.244 62.622 62.300 0.130 0.000 1.083 188 V CB 0.098 32.013 31.823 0.153 0.000 0.911 188 V HN 0.228 nan 8.190 nan 0.000 0.433 189 T N -2.363 112.332 114.554 0.235 0.000 2.838 189 T HA 0.848 5.198 4.350 -0.000 0.000 0.292 189 T C -0.291 174.637 174.700 0.381 0.000 1.113 189 T CA -0.104 62.200 62.100 0.341 0.000 1.008 189 T CB 1.855 70.944 68.868 0.368 0.000 1.259 189 T HN 0.874 nan 8.240 nan 0.000 0.520 190 A N 1.180 124.211 122.820 0.352 0.000 2.293 190 A HA 0.715 5.035 4.320 -0.000 0.000 0.302 190 A C -1.582 176.115 177.584 0.188 0.000 1.119 190 A CA -1.939 50.234 52.037 0.227 0.000 0.823 190 A CB -0.012 18.956 19.000 -0.053 0.000 1.097 190 A HN 0.667 nan 8.150 nan 0.000 0.491 191 P HA -0.208 nan 4.420 nan 0.000 0.219 191 P C -1.301 176.063 177.300 0.108 0.000 1.161 191 P CA 2.420 65.598 63.100 0.130 0.000 0.909 191 P CB -0.751 31.012 31.700 0.104 0.000 0.793 192 P HA -0.092 nan 4.420 nan 0.000 0.221 192 P C 1.447 178.785 177.300 0.064 0.000 1.145 192 P CA 1.270 64.383 63.100 0.022 0.000 0.795 192 P CB -0.344 31.325 31.700 -0.052 0.000 0.775 193 V N 0.333 120.324 119.914 0.128 0.000 2.407 193 V HA -0.129 3.990 4.120 -0.000 0.000 0.245 193 V C 2.710 179.023 176.094 0.366 0.000 1.041 193 V CA 2.059 64.507 62.300 0.246 0.000 1.040 193 V CB -1.333 30.686 31.823 0.327 0.000 0.671 193 V HN 0.151 nan 8.190 nan 0.000 0.455 194 S N 0.560 116.451 115.700 0.318 0.000 2.399 194 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 194 S C 2.173 176.932 174.600 0.264 0.000 1.022 194 S CA 1.374 59.764 58.200 0.318 0.000 0.983 194 S CB -0.418 62.907 63.200 0.208 0.000 0.803 194 S HN 0.638 nan 8.310 nan 0.000 0.480 195 A N 0.824 123.765 122.820 0.201 0.000 1.969 195 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 195 A C 1.848 179.542 177.584 0.184 0.000 1.169 195 A CA 1.153 53.284 52.037 0.156 0.000 0.635 195 A CB -0.716 18.342 19.000 0.096 0.000 0.810 195 A HN 0.528 nan 8.150 nan 0.000 0.445 196 F N -0.525 119.460 119.950 0.059 0.000 2.113 196 F HA -0.154 4.373 4.527 -0.000 0.000 0.297 196 F C 2.046 177.889 175.800 0.073 0.000 1.103 196 F CA 1.527 59.541 58.000 0.025 0.000 1.248 196 F CB -0.574 38.402 39.000 -0.039 0.000 0.999 196 F HN 0.305 nan 8.300 nan 0.000 0.475 197 Y N 0.760 121.039 120.300 -0.035 0.000 2.163 197 Y HA -0.173 4.377 4.550 -0.000 0.000 0.288 197 Y C 2.543 178.470 175.900 0.045 0.000 1.136 197 Y CA 1.713 59.774 58.100 -0.065 0.000 1.147 197 Y CB -0.552 38.010 38.460 0.170 0.000 0.987 197 Y HN 0.113 nan 8.280 nan 0.000 0.509 198 E N -1.046 119.294 120.200 0.234 0.000 2.110 198 E HA -0.265 4.085 4.350 -0.000 0.000 0.193 198 E C 2.022 178.687 176.600 0.108 0.000 0.988 198 E CA 1.208 57.707 56.400 0.165 0.000 0.804 198 E CB -0.224 29.557 29.700 0.135 0.000 0.745 198 E HN 0.520 nan 8.360 nan 0.000 0.458 199 H N 0.669 119.730 119.070 -0.015 0.000 2.436 199 H HA 0.001 4.556 4.556 -0.000 0.000 0.294 199 H C 2.193 177.444 175.328 -0.128 0.000 1.048 199 H CA 0.605 56.621 56.048 -0.054 0.000 1.353 199 H CB 0.086 29.823 29.762 -0.042 0.000 1.414 199 H HN 0.171 nan 8.280 nan 0.000 0.536 200 L N 0.541 121.627 121.223 -0.227 0.000 1.994 200 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 200 L C 2.448 179.102 176.870 -0.361 0.000 1.071 200 L CA 1.639 56.250 54.840 -0.381 0.000 0.745 200 L CB -0.651 41.055 42.059 -0.587 0.000 0.892 200 L HN 0.406 nan 8.230 nan 0.000 0.431 201 H N -0.181 118.843 119.070 -0.076 0.000 2.357 201 H HA -0.101 4.455 4.556 -0.000 0.000 0.301 201 H C 2.411 177.680 175.328 -0.098 0.000 1.082 201 H CA 1.356 57.413 56.048 0.014 0.000 1.342 201 H CB 0.038 29.874 29.762 0.123 0.000 1.389 201 H HN 0.340 nan 8.280 nan 0.000 0.511 202 R N 0.569 121.065 120.500 -0.006 0.000 2.083 202 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 202 R C 2.377 178.571 176.300 -0.176 0.000 1.137 202 R CA 1.525 57.577 56.100 -0.079 0.000 0.951 202 R CB -0.120 30.132 30.300 -0.080 0.000 0.851 202 R HN 0.236 nan 8.270 nan 0.000 0.434 203 E N 0.579 120.585 120.200 -0.322 0.000 2.097 203 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 203 E C 1.702 178.141 176.600 -0.269 0.000 1.000 203 E CA 1.746 57.935 56.400 -0.352 0.000 0.804 203 E CB -0.150 29.254 29.700 -0.493 0.000 0.740 203 E HN 0.383 nan 8.360 nan 0.000 0.454 204 A N -1.189 121.438 122.820 -0.322 0.000 2.121 204 A HA 0.163 4.483 4.320 -0.000 0.000 0.218 204 A C 1.911 179.403 177.584 -0.154 0.000 1.154 204 A CA 1.568 53.405 52.037 -0.334 0.000 0.679 204 A CB -0.425 18.184 19.000 -0.652 0.000 0.795 204 A HN 0.544 nan 8.150 nan 0.000 0.458 205 G N -2.742 105.991 108.800 -0.112 0.000 2.296 205 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.188 205 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.188 205 G C 0.135 174.990 174.900 -0.075 0.000 1.000 205 G CA -0.091 44.957 45.100 -0.087 0.000 0.672 205 G HN 0.674 nan 8.290 nan 0.000 0.483 206 V N 1.776 121.686 119.914 -0.007 0.000 2.637 206 V HA 0.443 4.563 4.120 -0.000 0.000 0.296 206 V C 0.316 176.391 176.094 -0.031 0.000 1.046 206 V CA 0.518 62.818 62.300 -0.001 0.000 1.066 206 V CB 1.634 33.510 31.823 0.087 0.000 0.968 206 V HN 0.410 nan 8.190 nan 0.000 0.483 207 D N 4.555 124.923 120.400 -0.053 0.000 2.412 207 D HA 0.352 4.992 4.640 -0.000 0.000 0.224 207 D C -0.346 175.944 176.300 -0.015 0.000 1.093 207 D CA -0.255 53.725 54.000 -0.033 0.000 0.850 207 D CB 0.451 41.234 40.800 -0.029 0.000 1.046 207 D HN 0.420 nan 8.370 nan 0.000 0.507 208 I N 4.428 124.993 120.570 -0.009 0.000 2.342 208 I HA 0.333 4.503 4.170 -0.000 0.000 0.291 208 I C 0.381 176.496 176.117 -0.002 0.000 1.010 208 I CA -0.818 60.475 61.300 -0.012 0.000 1.308 208 I CB 0.921 38.918 38.000 -0.005 0.000 1.400 208 I HN 0.173 nan 8.210 nan 0.000 0.488 209 R N 4.802 125.298 120.500 -0.007 0.000 2.312 209 R HA 0.328 4.667 4.340 -0.000 0.000 0.310 209 R C -0.312 175.985 176.300 -0.005 0.000 1.064 209 R CA -0.547 55.552 56.100 -0.002 0.000 0.983 209 R CB 0.871 31.170 30.300 -0.002 0.000 1.139 209 R HN 0.651 nan 8.270 nan 0.000 0.536 210 T N -2.289 112.266 114.554 0.002 0.000 2.874 210 T HA 0.424 4.774 4.350 -0.000 0.000 0.281 210 T C 1.084 175.785 174.700 0.002 0.000 0.994 210 T CA 0.098 62.199 62.100 0.002 0.000 1.015 210 T CB 1.550 70.426 68.868 0.013 0.000 1.028 210 T HN 0.745 nan 8.240 nan 0.000 0.523 211 G N 1.203 110.004 108.800 0.002 0.000 2.323 211 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.292 211 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.292 211 G C 0.030 174.928 174.900 -0.004 0.000 1.040 211 G CA 0.223 45.324 45.100 0.001 0.000 0.942 211 G HN 1.071 nan 8.290 nan 0.000 0.506 212 T N -0.246 114.303 114.554 -0.009 0.000 2.841 212 T HA 0.618 4.968 4.350 -0.000 0.000 0.283 212 T C -0.216 174.472 174.700 -0.020 0.000 1.000 212 T CA -0.420 61.671 62.100 -0.015 0.000 0.977 212 T CB 2.182 71.041 68.868 -0.016 0.000 0.979 212 T HN 0.389 nan 8.240 nan 0.000 0.446 213 Q N 1.849 121.632 119.800 -0.028 0.000 2.353 213 Q HA 0.593 4.933 4.340 -0.000 0.000 0.268 213 Q C -1.254 174.708 176.000 -0.063 0.000 1.045 213 Q CA -0.756 55.026 55.803 -0.035 0.000 0.811 213 Q CB 1.883 30.605 28.738 -0.027 0.000 1.305 213 Q HN 0.443 nan 8.270 nan 0.000 0.447 214 V N 4.000 123.865 119.914 -0.081 0.000 2.389 214 V HA 0.020 4.140 4.120 -0.000 0.000 0.264 214 V C 1.109 177.094 176.094 -0.182 0.000 1.049 214 V CA -0.304 61.896 62.300 -0.167 0.000 0.932 214 V CB 0.244 31.941 31.823 -0.209 0.000 1.011 214 V HN 1.074 nan 8.190 nan 0.000 0.475 215 C N 2.334 121.523 119.300 -0.185 0.000 2.485 215 C HA 0.621 5.081 4.460 -0.000 0.000 0.277 215 C C 1.083 175.961 174.990 -0.186 0.000 1.376 215 C CA 0.289 59.222 59.018 -0.141 0.000 1.759 215 C CB -1.177 26.506 27.740 -0.096 0.000 1.970 215 C HN 0.975 nan 8.230 nan 0.000 0.509 216 G N -0.953 107.635 108.800 -0.352 0.000 2.340 216 G HA2 0.542 4.502 3.960 -0.000 0.000 0.299 216 G HA3 0.542 4.502 3.960 -0.000 0.000 0.299 216 G C -1.733 172.790 174.900 -0.628 0.000 1.291 216 G CA -0.617 44.260 45.100 -0.371 0.000 0.841 216 G HN 0.185 nan 8.290 nan 0.000 0.500 217 F N -0.328 119.611 119.950 -0.018 0.000 2.629 217 F HA 0.699 5.226 4.527 -0.000 0.000 0.316 217 F C 0.085 175.877 175.800 -0.013 0.000 1.081 217 F CA -0.902 57.093 58.000 -0.009 0.000 0.954 217 F CB 2.099 41.091 39.000 -0.014 0.000 1.337 217 F HN 0.398 nan 8.300 nan 0.000 0.474 218 E N 1.406 121.726 120.200 0.199 0.000 2.207 218 E HA 0.724 5.074 4.350 -0.000 0.000 0.270 218 E C -1.039 175.615 176.600 0.091 0.000 0.927 218 E CA -0.847 55.615 56.400 0.103 0.000 0.799 218 E CB 2.422 32.160 29.700 0.064 0.000 1.172 218 E HN 0.465 nan 8.360 nan 0.000 0.404 219 M N 0.761 120.391 119.600 0.050 0.000 2.631 219 M HA 0.305 4.785 4.480 -0.000 0.000 0.288 219 M C -0.694 175.615 176.300 0.015 0.000 1.260 219 M CA -1.048 54.268 55.300 0.025 0.000 0.842 219 M CB 2.390 34.992 32.600 0.003 0.000 1.743 219 M HN 0.489 nan 8.290 nan 0.000 0.461 220 S N -0.725 114.979 115.700 0.008 0.000 2.499 220 S HA 0.199 4.669 4.470 -0.000 0.000 0.279 220 S C 0.674 175.274 174.600 0.000 0.000 1.219 220 S CA -0.286 57.917 58.200 0.005 0.000 1.062 220 S CB 1.518 64.720 63.200 0.004 0.000 0.978 220 S HN 0.850 nan 8.310 nan 0.000 0.489 221 T N 1.612 116.166 114.554 0.000 0.000 2.788 221 T HA -0.169 4.180 4.350 -0.000 0.000 0.268 221 T C 1.300 175.998 174.700 -0.003 0.000 1.044 221 T CA 2.036 64.135 62.100 -0.002 0.000 1.139 221 T CB -0.818 68.049 68.868 -0.001 0.000 0.867 221 T HN 0.854 nan 8.240 nan 0.000 0.454 222 D N 0.643 121.042 120.400 -0.002 0.000 2.096 222 D HA -0.125 4.514 4.640 -0.000 0.000 0.207 222 D C 2.136 178.435 176.300 -0.003 0.000 0.976 222 D CA 0.990 54.989 54.000 -0.002 0.000 0.875 222 D CB -0.874 39.925 40.800 -0.001 0.000 1.009 222 D HN 0.395 nan 8.370 nan 0.000 0.449 223 Q N -0.454 119.345 119.800 -0.002 0.000 2.234 223 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 223 Q C 0.089 176.086 176.000 -0.004 0.000 0.980 223 Q CA 0.950 56.752 55.803 -0.002 0.000 0.869 223 Q CB -0.054 28.684 28.738 -0.000 0.000 0.912 223 Q HN 0.245 nan 8.270 nan 0.000 0.436 224 Q N -0.375 119.421 119.800 -0.007 0.000 2.478 224 Q HA -0.178 4.162 4.340 -0.000 0.000 0.286 224 Q C -1.062 174.928 176.000 -0.016 0.000 1.299 224 Q CA 1.026 56.821 55.803 -0.014 0.000 0.826 224 Q CB -1.484 27.244 28.738 -0.016 0.000 1.199 224 Q HN 0.399 nan 8.270 nan 0.000 0.451 225 K N -0.325 120.070 120.400 -0.008 0.000 2.208 225 K HA 0.604 4.924 4.320 -0.000 0.000 0.247 225 K C 0.217 176.817 176.600 0.000 0.000 0.953 225 K CA -0.819 55.466 56.287 -0.003 0.000 0.837 225 K CB 1.935 34.438 32.500 0.005 0.000 1.131 225 K HN -0.089 nan 8.250 nan 0.000 0.431 226 V N 1.993 121.910 119.914 0.006 0.000 2.715 226 V HA -0.017 4.102 4.120 -0.000 0.000 0.299 226 V C 1.284 177.409 176.094 0.052 0.000 1.054 226 V CA 0.556 62.875 62.300 0.031 0.000 1.077 226 V CB 1.080 32.936 31.823 0.055 0.000 0.972 226 V HN 1.097 nan 8.190 nan 0.000 0.484 227 T N 0.159 114.753 114.554 0.067 0.000 2.958 227 T HA 0.637 4.987 4.350 -0.000 0.000 0.256 227 T C 0.233 174.970 174.700 0.062 0.000 0.983 227 T CA 0.469 62.599 62.100 0.050 0.000 0.924 227 T CB 0.597 69.485 68.868 0.033 0.000 1.136 227 T HN 1.128 nan 8.240 nan 0.000 0.506 228 A N 0.402 123.284 122.820 0.105 0.000 2.608 228 A HA 0.691 5.011 4.320 -0.000 0.000 0.292 228 A C -1.730 175.951 177.584 0.162 0.000 1.066 228 A CA -0.719 51.377 52.037 0.099 0.000 0.676 228 A CB 1.500 20.530 19.000 0.050 0.000 1.277 228 A HN 0.267 nan 8.150 nan 0.000 0.413 229 V N 2.223 122.193 119.914 0.093 0.000 2.448 229 V HA 0.496 4.615 4.120 -0.000 0.000 0.295 229 V C -0.831 175.207 176.094 -0.093 0.000 1.025 229 V CA -0.653 61.649 62.300 0.002 0.000 0.859 229 V CB 1.357 33.204 31.823 0.039 0.000 0.988 229 V HN 0.680 nan 8.190 nan 0.000 0.431 230 L N 3.986 125.089 121.223 -0.200 0.000 2.295 230 L HA 0.527 4.867 4.340 -0.000 0.000 0.285 230 L C 0.038 176.809 176.870 -0.165 0.000 1.035 230 L CA -0.037 54.716 54.840 -0.144 0.000 0.806 230 L CB 1.193 43.180 42.059 -0.120 0.000 1.214 230 L HN 0.668 nan 8.230 nan 0.000 0.426 231 C N 1.665 120.903 119.300 -0.102 0.000 2.351 231 C HA 0.240 4.700 4.460 -0.000 0.000 0.359 231 C C 1.985 176.934 174.990 -0.070 0.000 1.193 231 C CA -0.617 58.349 59.018 -0.086 0.000 2.270 231 C CB 1.441 29.148 27.740 -0.055 0.000 2.369 231 C HN 0.926 nan 8.230 nan 0.000 0.553 232 E N 1.857 122.020 120.200 -0.061 0.000 2.160 232 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 232 E C 1.645 178.225 176.600 -0.033 0.000 0.991 232 E CA 2.061 58.434 56.400 -0.045 0.000 0.810 232 E CB -0.204 29.474 29.700 -0.037 0.000 0.742 232 E HN 0.794 nan 8.360 nan 0.000 0.466 233 D N -1.308 119.075 120.400 -0.029 0.000 2.363 233 D HA -0.014 4.626 4.640 -0.000 0.000 0.226 233 D C 1.232 177.519 176.300 -0.021 0.000 1.020 233 D CA 0.951 54.939 54.000 -0.021 0.000 0.892 233 D CB -0.132 40.658 40.800 -0.016 0.000 0.900 233 D HN 0.349 nan 8.370 nan 0.000 0.531 234 G N -0.167 108.616 108.800 -0.028 0.000 2.199 234 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.254 234 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.254 234 G C 0.473 175.358 174.900 -0.025 0.000 0.982 234 G CA 0.346 45.431 45.100 -0.026 0.000 0.632 234 G HN 0.463 nan 8.290 nan 0.000 0.529 235 T N 1.157 115.697 114.554 -0.024 0.000 2.888 235 T HA 0.399 4.749 4.350 -0.000 0.000 0.301 235 T C 0.587 175.272 174.700 -0.025 0.000 1.001 235 T CA 0.359 62.447 62.100 -0.020 0.000 1.147 235 T CB 0.996 69.855 68.868 -0.015 0.000 0.931 235 T HN 0.541 nan 8.240 nan 0.000 0.541 236 R N 3.760 124.249 120.500 -0.019 0.000 2.255 236 R HA 0.439 4.779 4.340 -0.000 0.000 0.326 236 R C -1.049 175.244 176.300 -0.012 0.000 0.986 236 R CA -0.613 55.476 56.100 -0.018 0.000 0.847 236 R CB 0.334 30.625 30.300 -0.014 0.000 1.111 236 R HN 0.565 nan 8.270 nan 0.000 0.452 237 L N 7.541 128.758 121.223 -0.009 0.000 2.277 237 L HA 0.449 4.789 4.340 -0.000 0.000 0.284 237 L C -1.979 174.894 176.870 0.005 0.000 1.028 237 L CA -2.264 52.576 54.840 0.000 0.000 0.835 237 L CB 1.717 43.783 42.059 0.013 0.000 1.215 237 L HN 0.504 nan 8.230 nan 0.000 0.425 238 P HA 0.194 nan 4.420 nan 0.000 0.271 238 P C -0.928 176.366 177.300 -0.010 0.000 1.220 238 P CA -0.090 63.001 63.100 -0.016 0.000 0.768 238 P CB 1.634 33.306 31.700 -0.047 0.000 0.848 239 A N 3.028 125.862 122.820 0.022 0.000 2.422 239 A HA 0.446 4.766 4.320 -0.000 0.000 0.302 239 A C 0.403 178.004 177.584 0.028 0.000 1.041 239 A CA -0.530 51.526 52.037 0.033 0.000 0.708 239 A CB 1.119 20.163 19.000 0.075 0.000 1.257 239 A HN 0.420 nan 8.150 nan 0.000 0.414 240 D N 0.206 120.615 120.400 0.015 0.000 2.355 240 D HA 0.176 4.816 4.640 -0.000 0.000 0.206 240 D C -0.399 175.905 176.300 0.008 0.000 1.010 240 D CA 0.916 54.922 54.000 0.010 0.000 0.875 240 D CB 0.714 41.516 40.800 0.003 0.000 0.966 240 D HN 0.319 nan 8.370 nan 0.000 0.512 241 L N 0.625 121.850 121.223 0.003 0.000 2.482 241 L HA 0.373 4.713 4.340 -0.000 0.000 0.263 241 L C -1.678 175.166 176.870 -0.043 0.000 0.957 241 L CA -0.733 54.093 54.840 -0.024 0.000 0.836 241 L CB 2.504 44.543 42.059 -0.034 0.000 1.324 241 L HN -0.354 nan 8.230 nan 0.000 0.406 242 V N 6.006 125.853 119.914 -0.112 0.000 2.525 242 V HA 0.522 4.642 4.120 -0.000 0.000 0.299 242 V C -0.374 175.417 176.094 -0.505 0.000 1.034 242 V CA -0.358 61.820 62.300 -0.202 0.000 0.863 242 V CB 1.732 33.524 31.823 -0.051 0.000 0.999 242 V HN 0.581 nan 8.190 nan 0.000 0.423 243 I N 4.495 124.825 120.570 -0.400 0.000 2.354 243 I HA 0.668 4.838 4.170 -0.000 0.000 0.286 243 I C 0.452 176.292 176.117 -0.461 0.000 1.007 243 I CA -0.416 60.613 61.300 -0.452 0.000 1.167 243 I CB 1.639 39.492 38.000 -0.245 0.000 1.320 243 I HN 0.666 nan 8.210 nan 0.000 0.458 244 A N 4.735 127.120 122.820 -0.724 0.000 2.301 244 A HA 0.847 5.167 4.320 -0.000 0.000 0.312 244 A C 0.254 177.692 177.584 -0.242 0.000 1.182 244 A CA -0.464 51.271 52.037 -0.503 0.000 0.826 244 A CB 0.963 19.569 19.000 -0.657 0.000 1.134 244 A HN 0.862 nan 8.150 nan 0.000 0.501 245 G N 1.651 110.421 108.800 -0.050 0.000 2.378 245 G HA2 0.485 4.445 3.960 -0.000 0.000 0.291 245 G HA3 0.485 4.445 3.960 -0.000 0.000 0.291 245 G C -0.262 174.668 174.900 0.049 0.000 1.421 245 G CA -0.133 44.995 45.100 0.048 0.000 1.154 245 G HN 1.228 nan 8.290 nan 0.000 0.590 246 I N 0.562 121.194 120.570 0.104 0.000 3.654 246 I HA 0.665 4.835 4.170 -0.000 0.000 0.337 246 I C 0.574 176.719 176.117 0.046 0.000 1.568 246 I CA -0.287 61.054 61.300 0.067 0.000 1.115 246 I CB 0.369 38.426 38.000 0.094 0.000 1.300 246 I HN 0.818 nan 8.210 nan 0.000 0.471 247 G N 1.494 110.314 108.800 0.033 0.000 2.408 247 G HA2 0.139 4.099 3.960 -0.000 0.000 0.682 247 G HA3 0.139 4.099 3.960 -0.000 0.000 0.682 247 G C -2.082 172.818 174.900 0.001 0.000 1.303 247 G CA -0.630 44.473 45.100 0.006 0.000 0.966 247 G HN 0.257 nan 8.290 nan 0.000 0.560 248 L N -0.294 120.917 121.223 -0.020 0.000 2.381 248 L HA 0.873 5.213 4.340 -0.000 0.000 0.268 248 L C -0.279 176.572 176.870 -0.031 0.000 0.997 248 L CA -0.973 53.849 54.840 -0.030 0.000 0.818 248 L CB 1.774 43.807 42.059 -0.042 0.000 1.310 248 L HN 0.624 nan 8.230 nan 0.000 0.416 249 I N 6.621 127.169 120.570 -0.037 0.000 2.330 249 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 249 I C -2.075 174.022 176.117 -0.032 0.000 1.001 249 I CA -1.859 59.421 61.300 -0.033 0.000 1.193 249 I CB 1.798 39.776 38.000 -0.037 0.000 1.345 249 I HN 0.470 nan 8.210 nan 0.000 0.461 250 P HA 0.006 nan 4.420 nan 0.000 0.268 250 P C -0.997 176.290 177.300 -0.022 0.000 1.204 250 P CA -0.262 62.825 63.100 -0.021 0.000 0.768 250 P CB 0.513 32.207 31.700 -0.011 0.000 0.842 251 N N 2.771 121.457 118.700 -0.023 0.000 2.466 251 N HA 0.062 4.802 4.740 -0.000 0.000 0.263 251 N C 0.450 175.949 175.510 -0.018 0.000 1.178 251 N CA -0.002 53.034 53.050 -0.023 0.000 0.983 251 N CB -0.323 38.148 38.487 -0.027 0.000 1.331 251 N HN 0.432 nan 8.380 nan 0.000 0.500 252 C N 0.575 119.865 119.300 -0.016 0.000 3.070 252 C HA 0.136 4.596 4.460 -0.000 0.000 0.280 252 C C 2.003 176.986 174.990 -0.013 0.000 1.264 252 C CA -0.389 58.621 59.018 -0.012 0.000 1.690 252 C CB -0.132 27.602 27.740 -0.011 0.000 2.049 252 C HN 0.523 nan 8.230 nan 0.000 0.636 253 E N 2.001 122.192 120.200 -0.014 0.000 2.108 253 E HA -0.245 4.104 4.350 -0.000 0.000 0.203 253 E C 1.813 178.407 176.600 -0.010 0.000 1.022 253 E CA 1.220 57.613 56.400 -0.013 0.000 0.823 253 E CB -0.520 29.172 29.700 -0.014 0.000 0.744 253 E HN 0.430 nan 8.360 nan 0.000 0.456 254 L N 0.063 121.280 121.223 -0.011 0.000 1.990 254 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 254 L C 2.163 179.030 176.870 -0.005 0.000 1.072 254 L CA 2.258 57.093 54.840 -0.008 0.000 0.755 254 L CB -0.909 41.142 42.059 -0.013 0.000 0.889 254 L HN 0.197 nan 8.230 nan 0.000 0.432 255 A N -2.444 120.371 122.820 -0.007 0.000 1.929 255 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 255 A C 2.507 180.090 177.584 -0.002 0.000 1.176 255 A CA 1.640 53.675 52.037 -0.004 0.000 0.628 255 A CB -0.841 18.156 19.000 -0.004 0.000 0.816 255 A HN 0.438 nan 8.150 nan 0.000 0.444 256 S N -0.040 115.656 115.700 -0.006 0.000 2.359 256 S HA -0.099 4.371 4.470 -0.000 0.000 0.224 256 S C 2.050 176.648 174.600 -0.004 0.000 1.035 256 S CA 1.672 59.868 58.200 -0.008 0.000 1.018 256 S CB -0.422 62.772 63.200 -0.010 0.000 0.876 256 S HN 0.837 nan 8.310 nan 0.000 0.448 257 A N 0.007 122.826 122.820 -0.002 0.000 2.206 257 A HA 0.529 4.848 4.320 -0.000 0.000 0.211 257 A C 1.808 179.396 177.584 0.006 0.000 1.158 257 A CA 1.085 53.123 52.037 0.001 0.000 0.761 257 A CB -0.542 18.459 19.000 0.001 0.000 0.801 257 A HN 0.684 nan 8.150 nan 0.000 0.473 258 A N -1.608 121.218 122.820 0.009 0.000 2.423 258 A HA 0.463 4.783 4.320 -0.000 0.000 0.246 258 A C 1.583 179.176 177.584 0.016 0.000 1.278 258 A CA 0.847 52.894 52.037 0.018 0.000 0.903 258 A CB -0.872 18.143 19.000 0.025 0.000 0.997 258 A HN 1.683 nan 8.150 nan 0.000 0.510 259 G N -0.667 108.138 108.800 0.008 0.000 2.155 259 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 259 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 259 G C 0.133 175.035 174.900 0.005 0.000 0.983 259 G CA 0.545 45.648 45.100 0.005 0.000 0.676 259 G HN 0.489 nan 8.290 nan 0.000 0.528 260 L N 0.079 121.305 121.223 0.005 0.000 2.395 260 L HA 0.381 4.720 4.340 -0.000 0.000 0.269 260 L C 1.182 178.049 176.870 -0.006 0.000 1.133 260 L CA -0.684 54.158 54.840 0.005 0.000 0.812 260 L CB 0.897 42.961 42.059 0.009 0.000 1.125 260 L HN 0.199 nan 8.230 nan 0.000 0.452 261 Q N 1.504 121.297 119.800 -0.011 0.000 2.300 261 Q HA 0.259 4.598 4.340 -0.000 0.000 0.280 261 Q C -1.282 174.699 176.000 -0.033 0.000 1.033 261 Q CA 0.033 55.816 55.803 -0.033 0.000 0.903 261 Q CB 1.016 29.723 28.738 -0.053 0.000 1.195 261 Q HN 0.408 nan 8.270 nan 0.000 0.386 262 V N 3.597 123.485 119.914 -0.043 0.000 2.760 262 V HA 0.332 4.452 4.120 -0.000 0.000 0.309 262 V C -0.973 175.089 176.094 -0.054 0.000 1.077 262 V CA -0.719 61.559 62.300 -0.037 0.000 0.910 262 V CB 2.133 33.941 31.823 -0.024 0.000 1.008 262 V HN 0.805 nan 8.190 nan 0.000 0.424 263 D N 4.272 124.641 120.400 -0.052 0.000 2.351 263 D HA 0.178 4.818 4.640 -0.000 0.000 0.235 263 D C 0.010 176.289 176.300 -0.035 0.000 1.331 263 D CA -0.293 53.670 54.000 -0.062 0.000 0.959 263 D CB 0.383 41.115 40.800 -0.114 0.000 1.432 263 D HN 0.553 nan 8.370 nan 0.000 0.544 264 N N 2.723 121.408 118.700 -0.025 0.000 2.705 264 N HA -0.161 4.579 4.740 -0.000 0.000 0.255 264 N C -0.083 175.426 175.510 -0.002 0.000 1.008 264 N CA 1.963 55.004 53.050 -0.015 0.000 0.742 264 N CB -1.071 37.407 38.487 -0.015 0.000 0.906 264 N HN 0.985 nan 8.380 nan 0.000 0.541 265 G N -0.567 108.234 108.800 0.001 0.000 2.357 265 G HA2 0.068 4.028 3.960 -0.000 0.000 0.643 265 G HA3 0.068 4.028 3.960 -0.000 0.000 0.643 265 G C -0.587 174.327 174.900 0.023 0.000 1.358 265 G CA -0.419 44.693 45.100 0.019 0.000 0.986 265 G HN 0.305 nan 8.290 nan 0.000 0.620 266 I N 0.744 121.337 120.570 0.038 0.000 2.396 266 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 266 I C 0.846 177.011 176.117 0.081 0.000 1.056 266 I CA -0.761 60.563 61.300 0.040 0.000 1.365 266 I CB 1.298 39.317 38.000 0.031 0.000 1.407 266 I HN 0.294 nan 8.210 nan 0.000 0.509 267 V N 7.823 127.775 119.914 0.063 0.000 2.508 267 V HA 0.266 4.386 4.120 -0.000 0.000 0.281 267 V C 0.244 176.441 176.094 0.172 0.000 1.041 267 V CA -0.143 62.225 62.300 0.114 0.000 1.016 267 V CB 0.643 32.451 31.823 -0.023 0.000 0.984 267 V HN 0.570 nan 8.190 nan 0.000 0.478 268 I N 2.189 122.937 120.570 0.297 0.000 2.828 268 I HA 0.739 4.909 4.170 -0.000 0.000 0.302 268 I C -0.291 176.034 176.117 0.345 0.000 1.101 268 I CA -0.998 60.456 61.300 0.258 0.000 1.031 268 I CB 2.330 40.445 38.000 0.191 0.000 1.231 268 I HN 0.586 nan 8.210 nan 0.000 0.427 269 N N 1.867 120.719 118.700 0.253 0.000 2.566 269 N HA 0.216 4.956 4.740 -0.000 0.000 0.299 269 N C 0.465 176.053 175.510 0.130 0.000 1.277 269 N CA -0.440 52.753 53.050 0.237 0.000 0.965 269 N CB 0.167 38.792 38.487 0.230 0.000 1.142 269 N HN 0.604 nan 8.380 nan 0.000 0.596 270 E N -0.960 119.268 120.200 0.048 0.000 2.396 270 E HA -0.176 4.173 4.350 -0.000 0.000 0.200 270 E C 0.117 176.516 176.600 -0.335 0.000 1.023 270 E CA 1.177 57.491 56.400 -0.144 0.000 0.857 270 E CB -0.444 29.122 29.700 -0.224 0.000 0.775 270 E HN 0.597 nan 8.360 nan 0.000 0.525 271 H N -1.003 118.094 119.070 0.045 0.000 2.505 271 H HA 0.193 4.749 4.556 -0.000 0.000 0.286 271 H C 0.458 175.801 175.328 0.025 0.000 1.072 271 H CA -0.010 56.056 56.048 0.030 0.000 1.141 271 H CB 0.325 30.108 29.762 0.034 0.000 1.550 271 H HN -0.098 nan 8.280 nan 0.000 0.547 272 M N -0.672 118.977 119.600 0.081 0.000 2.908 272 M HA -0.259 4.221 4.480 -0.000 0.000 0.191 272 M C -0.560 175.790 176.300 0.083 0.000 0.619 272 M CA 0.711 56.047 55.300 0.060 0.000 0.709 272 M CB -2.478 30.129 32.600 0.013 0.000 2.554 272 M HN 0.464 nan 8.290 nan 0.000 0.356 273 Q N 0.795 120.668 119.800 0.122 0.000 2.259 273 Q HA 0.539 4.879 4.340 -0.000 0.000 0.249 273 Q C 1.122 177.183 176.000 0.102 0.000 0.914 273 Q CA 0.180 56.043 55.803 0.101 0.000 0.904 273 Q CB 1.248 30.052 28.738 0.109 0.000 1.213 273 Q HN 0.491 nan 8.270 nan 0.000 0.428 274 T N -1.999 112.598 114.554 0.071 0.000 2.867 274 T HA 0.164 4.514 4.350 -0.000 0.000 0.286 274 T C 1.211 175.947 174.700 0.060 0.000 1.022 274 T CA -0.440 61.699 62.100 0.065 0.000 0.933 274 T CB 0.637 69.527 68.868 0.038 0.000 1.280 274 T HN 0.484 nan 8.240 nan 0.000 0.566 275 S N 0.519 116.245 115.700 0.044 0.000 2.392 275 S HA -0.102 4.368 4.470 -0.000 0.000 0.232 275 S C 0.814 175.437 174.600 0.040 0.000 1.041 275 S CA 1.384 59.606 58.200 0.036 0.000 1.026 275 S CB -0.628 62.584 63.200 0.021 0.000 0.845 275 S HN 0.861 nan 8.310 nan 0.000 0.465 276 D N 0.914 121.339 120.400 0.041 0.000 2.249 276 D HA 0.231 4.871 4.640 -0.000 0.000 0.246 276 D C -2.092 174.239 176.300 0.052 0.000 1.114 276 D CA -2.509 51.520 54.000 0.049 0.000 0.854 276 D CB 1.584 42.418 40.800 0.057 0.000 1.132 276 D HN -0.101 nan 8.370 nan 0.000 0.461 277 P HA -0.093 nan 4.420 nan 0.000 0.216 277 P C 1.198 178.533 177.300 0.058 0.000 1.150 277 P CA 0.638 63.768 63.100 0.050 0.000 0.837 277 P CB 0.324 32.048 31.700 0.040 0.000 0.786 278 L N -1.725 119.546 121.223 0.080 0.000 2.599 278 L HA 0.119 4.459 4.340 -0.000 0.000 0.230 278 L C 0.970 177.871 176.870 0.050 0.000 1.141 278 L CA 0.638 55.542 54.840 0.106 0.000 0.877 278 L CB -1.063 41.114 42.059 0.197 0.000 1.009 278 L HN 0.040 nan 8.230 nan 0.000 0.447 279 I N 0.342 120.924 120.570 0.019 0.000 2.389 279 I HA 0.307 4.477 4.170 -0.000 0.000 0.288 279 I C -0.101 176.002 176.117 -0.023 0.000 0.999 279 I CA -0.078 61.194 61.300 -0.047 0.000 1.129 279 I CB 1.623 39.595 38.000 -0.046 0.000 1.288 279 I HN -0.062 nan 8.210 nan 0.000 0.444 280 M N 4.768 124.339 119.600 -0.047 0.000 2.644 280 M HA 0.792 5.272 4.480 -0.000 0.000 0.316 280 M C -0.351 175.930 176.300 -0.032 0.000 1.200 280 M CA -0.639 54.648 55.300 -0.021 0.000 0.944 280 M CB 2.370 34.953 32.600 -0.027 0.000 1.691 280 M HN 0.635 nan 8.290 nan 0.000 0.471 281 A N 1.242 124.059 122.820 -0.005 0.000 2.384 281 A HA 0.954 5.274 4.320 -0.000 0.000 0.312 281 A C -1.388 176.191 177.584 -0.008 0.000 1.113 281 A CA -0.777 51.257 52.037 -0.005 0.000 0.779 281 A CB 2.048 21.063 19.000 0.025 0.000 1.307 281 A HN 0.705 nan 8.150 nan 0.000 0.436 282 V N 0.182 120.086 119.914 -0.018 0.000 3.147 282 V HA 0.742 4.862 4.120 -0.000 0.000 0.299 282 V C 0.281 176.359 176.094 -0.027 0.000 1.302 282 V CA 1.206 63.486 62.300 -0.033 0.000 1.015 282 V CB 1.554 33.344 31.823 -0.054 0.000 1.086 282 V HN 2.947 nan 8.190 nan 0.000 0.437 283 G N 4.714 113.494 108.800 -0.033 0.000 2.527 283 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.227 283 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.227 283 G C 0.111 175.009 174.900 -0.004 0.000 1.291 283 G CA 0.539 45.621 45.100 -0.030 0.000 0.904 283 G HN 0.997 nan 8.290 nan 0.000 0.577 284 D N -0.117 120.270 120.400 -0.021 0.000 2.271 284 D HA -0.127 4.513 4.640 -0.000 0.000 0.207 284 D C 2.530 178.831 176.300 0.003 0.000 0.983 284 D CA 2.275 56.265 54.000 -0.018 0.000 0.878 284 D CB -0.552 40.222 40.800 -0.043 0.000 0.920 284 D HN 0.944 nan 8.370 nan 0.000 0.479 285 C N -0.247 119.056 119.300 0.006 0.000 2.495 285 C HA 0.553 5.012 4.460 -0.000 0.000 0.275 285 C C 1.387 176.406 174.990 0.047 0.000 1.392 285 C CA -0.489 58.538 59.018 0.014 0.000 1.766 285 C CB -0.945 26.794 27.740 -0.000 0.000 1.933 285 C HN 0.162 nan 8.230 nan 0.000 0.519 286 A N 1.623 124.488 122.820 0.077 0.000 2.409 286 A HA 0.549 4.869 4.320 -0.000 0.000 0.267 286 A C 0.269 177.997 177.584 0.239 0.000 1.127 286 A CA -0.184 51.939 52.037 0.143 0.000 0.795 286 A CB 0.007 19.087 19.000 0.134 0.000 1.061 286 A HN 0.727 nan 8.150 nan 0.000 0.502 287 R N 2.899 123.541 120.500 0.237 0.000 2.265 287 R HA 0.586 4.926 4.340 -0.000 0.000 0.328 287 R C -1.030 175.531 176.300 0.435 0.000 0.969 287 R CA -0.352 55.898 56.100 0.249 0.000 0.832 287 R CB 0.334 30.737 30.300 0.171 0.000 1.139 287 R HN 0.724 nan 8.270 nan 0.000 0.457 288 F N 0.384 120.480 119.950 0.244 0.000 2.631 288 F HA 0.453 4.980 4.527 -0.000 0.000 0.328 288 F C -0.906 174.815 175.800 -0.130 0.000 1.067 288 F CA -1.297 56.797 58.000 0.156 0.000 0.969 288 F CB 1.081 40.105 39.000 0.039 0.000 1.332 288 F HN 0.330 nan 8.300 nan 0.000 0.490 289 H N 1.163 119.889 119.070 -0.573 0.000 2.552 289 H HA 0.276 4.832 4.556 -0.000 0.000 0.311 289 H C -0.962 174.170 175.328 -0.327 0.000 1.071 289 H CA -0.090 55.367 56.048 -0.984 0.000 1.307 289 H CB 1.576 30.477 29.762 -1.435 0.000 1.416 289 H HN 0.747 nan 8.280 nan 0.000 0.464 290 S N 3.989 119.278 115.700 -0.686 0.000 2.416 290 S HA 0.030 4.500 4.470 -0.000 0.000 0.287 290 S C 1.282 175.751 174.600 -0.218 0.000 1.139 290 S CA -0.665 57.413 58.200 -0.202 0.000 1.058 290 S CB 0.486 63.630 63.200 -0.093 0.000 0.967 290 S HN 0.833 nan 8.310 nan 0.000 0.495 291 Q N 4.357 124.168 119.800 0.018 0.000 2.230 291 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 291 Q C 1.643 177.634 176.000 -0.015 0.000 0.963 291 Q CA 0.646 56.483 55.803 0.057 0.000 0.866 291 Q CB -0.328 28.453 28.738 0.072 0.000 0.931 291 Q HN 0.626 nan 8.270 nan 0.000 0.452 292 L N 0.102 121.307 121.223 -0.031 0.000 2.083 292 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 292 L C 1.022 177.648 176.870 -0.406 0.000 1.083 292 L CA 1.737 56.465 54.840 -0.188 0.000 0.752 292 L CB -0.303 41.664 42.059 -0.153 0.000 0.899 292 L HN 0.211 nan 8.230 nan 0.000 0.433 293 Y N -1.532 118.731 120.300 -0.061 0.000 2.481 293 Y HA 0.253 4.803 4.550 -0.000 0.000 0.247 293 Y C 0.517 176.353 175.900 -0.107 0.000 1.151 293 Y CA -0.464 57.596 58.100 -0.066 0.000 1.238 293 Y CB 0.037 38.455 38.460 -0.071 0.000 1.179 293 Y HN 0.144 nan 8.280 nan 0.000 0.524 294 D N 1.840 122.203 120.400 -0.063 0.000 2.735 294 D HA -0.225 4.415 4.640 -0.000 0.000 0.235 294 D C -0.162 176.035 176.300 -0.171 0.000 1.175 294 D CA 1.052 55.008 54.000 -0.073 0.000 0.683 294 D CB -0.500 40.339 40.800 0.065 0.000 1.008 294 D HN 0.695 nan 8.370 nan 0.000 0.416 295 R N -1.004 119.152 120.500 -0.573 0.000 2.728 295 R HA 0.604 4.944 4.340 -0.000 0.000 0.274 295 R C -1.363 174.575 176.300 -0.603 0.000 1.032 295 R CA -1.196 54.690 56.100 -0.358 0.000 0.866 295 R CB 0.266 30.518 30.300 -0.079 0.000 1.263 295 R HN -0.004 nan 8.270 nan 0.000 0.475 296 W N 2.029 123.206 121.300 -0.205 0.000 2.322 296 W HA 0.510 5.170 4.660 -0.000 0.000 0.307 296 W C 0.215 176.562 176.519 -0.286 0.000 1.220 296 W CA -0.002 57.214 57.345 -0.215 0.000 1.210 296 W CB 1.616 31.040 29.460 -0.059 0.000 1.223 296 W HN 0.556 nan 8.180 nan 0.000 0.511 297 V N 0.825 120.541 119.914 -0.330 0.000 3.158 297 V HA 0.704 4.824 4.120 -0.000 0.000 0.311 297 V C -0.800 175.095 176.094 -0.331 0.000 1.181 297 V CA -1.719 60.373 62.300 -0.347 0.000 1.054 297 V CB 2.385 33.930 31.823 -0.463 0.000 1.085 297 V HN 0.509 nan 8.190 nan 0.000 0.446 298 R N 1.616 122.025 120.500 -0.153 0.000 2.518 298 R HA 0.550 4.890 4.340 -0.000 0.000 0.296 298 R C -1.876 174.434 176.300 0.017 0.000 1.080 298 R CA -0.528 55.572 56.100 -0.001 0.000 0.922 298 R CB 1.599 31.907 30.300 0.014 0.000 1.184 298 R HN 0.773 nan 8.270 nan 0.000 0.445 299 I N 3.117 123.761 120.570 0.123 0.000 2.385 299 I HA 0.265 4.435 4.170 -0.000 0.000 0.294 299 I C 0.242 176.352 176.117 -0.012 0.000 0.988 299 I CA -0.401 60.930 61.300 0.052 0.000 1.265 299 I CB 1.777 39.854 38.000 0.129 0.000 1.388 299 I HN 0.504 nan 8.210 nan 0.000 0.480 300 E N 4.799 124.938 120.200 -0.102 0.000 2.376 300 E HA 0.373 4.723 4.350 -0.000 0.000 0.236 300 E C -0.633 175.836 176.600 -0.218 0.000 0.962 300 E CA -0.338 55.980 56.400 -0.137 0.000 0.768 300 E CB 1.074 30.688 29.700 -0.145 0.000 1.236 300 E HN 0.657 nan 8.360 nan 0.000 0.431 301 S N -0.658 114.934 115.700 -0.180 0.000 2.588 301 S HA 0.266 4.736 4.470 -0.000 0.000 0.269 301 S C 0.514 175.010 174.600 -0.172 0.000 1.157 301 S CA -0.794 57.270 58.200 -0.226 0.000 0.824 301 S CB 1.413 64.486 63.200 -0.212 0.000 1.126 301 S HN 0.060 nan 8.310 nan 0.000 0.464 302 V N 1.560 121.364 119.914 -0.183 0.000 2.270 302 V HA 0.025 4.144 4.120 -0.000 0.000 0.245 302 V C -0.991 175.049 176.094 -0.089 0.000 1.043 302 V CA 1.787 64.043 62.300 -0.075 0.000 1.014 302 V CB -1.604 30.260 31.823 0.068 0.000 0.645 302 V HN 0.747 nan 8.190 nan 0.000 0.447 303 P HA -0.159 nan 4.420 nan 0.000 0.218 303 P C 1.547 178.752 177.300 -0.158 0.000 1.148 303 P CA 1.501 64.422 63.100 -0.299 0.000 0.822 303 P CB -0.160 30.956 31.700 -0.973 0.000 0.784 304 N N -0.359 118.253 118.700 -0.147 0.000 2.188 304 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 304 N C 1.567 177.023 175.510 -0.090 0.000 1.018 304 N CA 1.279 54.275 53.050 -0.090 0.000 0.858 304 N CB -0.184 38.273 38.487 -0.049 0.000 0.989 304 N HN -0.020 nan 8.380 nan 0.000 0.426 305 A N 1.715 124.488 122.820 -0.078 0.000 1.873 305 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 305 A C 2.411 179.965 177.584 -0.051 0.000 1.186 305 A CA 0.752 52.750 52.037 -0.064 0.000 0.616 305 A CB -0.694 18.273 19.000 -0.055 0.000 0.823 305 A HN 0.294 nan 8.150 nan 0.000 0.442 306 L N -0.735 120.468 121.223 -0.033 0.000 2.046 306 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 306 L C 2.691 179.552 176.870 -0.015 0.000 1.077 306 L CA 1.957 56.792 54.840 -0.008 0.000 0.747 306 L CB -0.646 41.427 42.059 0.023 0.000 0.896 306 L HN 0.646 nan 8.230 nan 0.000 0.432 307 E N 0.238 120.423 120.200 -0.024 0.000 2.031 307 E HA -0.269 4.081 4.350 -0.000 0.000 0.193 307 E C 2.209 178.763 176.600 -0.076 0.000 0.994 307 E CA 1.437 57.818 56.400 -0.032 0.000 0.800 307 E CB -0.019 29.663 29.700 -0.030 0.000 0.752 307 E HN 0.493 nan 8.360 nan 0.000 0.447 308 Q N 0.017 119.745 119.800 -0.119 0.000 2.084 308 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 308 Q C 2.269 178.213 176.000 -0.092 0.000 0.978 308 Q CA 1.271 56.987 55.803 -0.145 0.000 0.844 308 Q CB -0.205 28.426 28.738 -0.179 0.000 0.898 308 Q HN 0.381 nan 8.270 nan 0.000 0.426 309 A N 1.542 124.320 122.820 -0.069 0.000 1.851 309 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 309 A C 2.059 179.616 177.584 -0.044 0.000 1.195 309 A CA 1.720 53.725 52.037 -0.053 0.000 0.622 309 A CB -0.556 18.422 19.000 -0.037 0.000 0.831 309 A HN 0.221 nan 8.150 nan 0.000 0.444 310 R N -0.550 119.933 120.500 -0.030 0.000 2.091 310 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 310 R C 2.390 178.677 176.300 -0.022 0.000 1.136 310 R CA 1.787 57.877 56.100 -0.016 0.000 0.959 310 R CB -0.290 30.009 30.300 -0.001 0.000 0.856 310 R HN 0.647 nan 8.270 nan 0.000 0.437 311 K N 0.930 121.308 120.400 -0.037 0.000 2.063 311 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 311 K C 1.974 178.556 176.600 -0.030 0.000 1.048 311 K CA 1.422 57.686 56.287 -0.038 0.000 0.928 311 K CB -0.066 32.393 32.500 -0.068 0.000 0.713 311 K HN 0.133 nan 8.250 nan 0.000 0.442 312 I N 0.840 121.384 120.570 -0.044 0.000 2.226 312 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 312 I C 2.443 178.530 176.117 -0.050 0.000 1.100 312 I CA 1.181 62.453 61.300 -0.046 0.000 1.374 312 I CB -0.361 37.598 38.000 -0.070 0.000 1.057 312 I HN 0.295 nan 8.210 nan 0.000 0.413 313 A N 0.675 123.464 122.820 -0.052 0.000 1.902 313 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 313 A C 2.538 180.124 177.584 0.004 0.000 1.181 313 A CA 1.774 53.782 52.037 -0.048 0.000 0.623 313 A CB -0.737 18.242 19.000 -0.034 0.000 0.818 313 A HN 0.437 nan 8.150 nan 0.000 0.443 314 A N 0.214 123.042 122.820 0.014 0.000 1.858 314 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 314 A C 2.131 179.748 177.584 0.055 0.000 1.190 314 A CA 1.556 53.615 52.037 0.036 0.000 0.617 314 A CB -0.709 18.307 19.000 0.026 0.000 0.827 314 A HN 0.488 nan 8.150 nan 0.000 0.443 315 I N -0.146 120.455 120.570 0.050 0.000 2.091 315 I HA -0.303 3.867 4.170 -0.000 0.000 0.239 315 I C 2.269 178.442 176.117 0.092 0.000 1.061 315 I CA 1.519 62.866 61.300 0.077 0.000 1.317 315 I CB -0.475 37.576 38.000 0.085 0.000 1.031 315 I HN 0.279 nan 8.210 nan 0.000 0.401 316 L N -0.144 121.125 121.223 0.076 0.000 2.450 316 L HA -0.208 4.132 4.340 -0.000 0.000 0.224 316 L C 1.649 178.686 176.870 0.278 0.000 1.149 316 L CA 0.578 55.501 54.840 0.137 0.000 0.816 316 L CB -0.469 41.573 42.059 -0.029 0.000 0.932 316 L HN 0.459 nan 8.230 nan 0.000 0.449 317 C N 0.154 119.573 119.300 0.198 0.000 2.668 317 C HA 0.349 4.808 4.460 -0.000 0.000 0.301 317 C C 1.783 176.850 174.990 0.129 0.000 1.351 317 C CA -0.001 59.145 59.018 0.214 0.000 1.757 317 C CB -0.963 26.885 27.740 0.180 0.000 2.179 317 C HN 0.759 nan 8.230 nan 0.000 0.586 318 G N 1.978 110.847 108.800 0.114 0.000 2.212 318 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 318 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 318 G C 0.131 175.070 174.900 0.065 0.000 1.002 318 G CA 0.584 45.731 45.100 0.079 0.000 0.729 318 G HN 0.621 nan 8.290 nan 0.000 0.517 319 K N -0.876 119.564 120.400 0.067 0.000 2.177 319 K HA 0.665 4.985 4.320 -0.000 0.000 0.238 319 K C 0.343 176.973 176.600 0.050 0.000 1.015 319 K CA -0.392 55.927 56.287 0.053 0.000 0.922 319 K CB 2.190 34.720 32.500 0.051 0.000 1.127 319 K HN 0.438 nan 8.250 nan 0.000 0.469 320 V N 1.741 121.678 119.914 0.039 0.000 2.407 320 V HA 0.352 4.471 4.120 -0.000 0.000 0.278 320 V C -2.472 173.637 176.094 0.025 0.000 1.037 320 V CA -1.742 60.579 62.300 0.035 0.000 0.900 320 V CB 0.713 32.554 31.823 0.029 0.000 0.983 320 V HN 0.544 nan 8.190 nan 0.000 0.459 321 P HA 0.362 nan 4.420 nan 0.000 0.271 321 P C -0.401 176.898 177.300 -0.002 0.000 1.218 321 P CA -0.298 62.804 63.100 0.002 0.000 0.780 321 P CB 0.414 32.105 31.700 -0.014 0.000 0.901 322 R N 1.528 122.027 120.500 -0.003 0.000 2.594 322 R HA 0.116 4.456 4.340 -0.000 0.000 0.272 322 R C 0.155 176.451 176.300 -0.006 0.000 1.074 322 R CA -0.237 55.863 56.100 0.000 0.000 1.105 322 R CB 0.221 30.526 30.300 0.007 0.000 1.008 322 R HN 0.522 nan 8.270 nan 0.000 0.472 323 D N 2.182 122.581 120.400 -0.002 0.000 2.423 323 D HA -0.071 4.568 4.640 -0.000 0.000 0.238 323 D C 0.195 176.496 176.300 0.003 0.000 1.142 323 D CA 0.380 54.378 54.000 -0.003 0.000 0.884 323 D CB 0.630 41.430 40.800 -0.000 0.000 1.199 323 D HN 0.423 nan 8.370 nan 0.000 0.438 324 E N 0.213 120.414 120.200 0.003 0.000 2.568 324 E HA 0.119 4.469 4.350 -0.000 0.000 0.262 324 E C -1.109 175.516 176.600 0.042 0.000 0.961 324 E CA -0.079 56.333 56.400 0.020 0.000 0.945 324 E CB 0.471 30.195 29.700 0.039 0.000 0.924 324 E HN 0.407 nan 8.360 nan 0.000 0.467 325 A N 3.483 126.344 122.820 0.069 0.000 2.355 325 A HA 0.654 4.974 4.320 -0.000 0.000 0.324 325 A C -0.446 177.232 177.584 0.157 0.000 1.117 325 A CA -0.119 51.976 52.037 0.097 0.000 0.785 325 A CB 1.521 20.589 19.000 0.113 0.000 1.254 325 A HN 0.784 nan 8.150 nan 0.000 0.453 326 A N 3.249 126.162 122.820 0.154 0.000 2.567 326 A HA 0.492 4.812 4.320 -0.000 0.000 0.240 326 A C -1.912 175.865 177.584 0.322 0.000 1.053 326 A CA -0.537 51.634 52.037 0.223 0.000 0.755 326 A CB -0.663 18.429 19.000 0.152 0.000 0.978 326 A HN 0.624 nan 8.150 nan 0.000 0.507 327 P HA 0.305 nan 4.420 nan 0.000 0.274 327 P C -0.511 177.067 177.300 0.463 0.000 1.231 327 P CA 0.073 63.370 63.100 0.329 0.000 0.790 327 P CB 0.609 32.453 31.700 0.240 0.000 0.951 328 W N 2.602 124.049 121.300 0.245 0.000 3.059 328 W HA 0.612 5.272 4.660 -0.000 0.000 0.329 328 W C -2.567 174.182 176.519 0.384 0.000 1.246 328 W CA -1.155 56.371 57.345 0.301 0.000 1.190 328 W CB 0.225 29.907 29.460 0.369 0.000 1.423 328 W HN 0.533 nan 8.180 nan 0.000 0.571 329 F N 0.181 120.266 119.950 0.226 0.000 2.877 329 F HA 0.854 5.381 4.527 -0.000 0.000 0.319 329 F C -1.880 174.047 175.800 0.213 0.000 1.174 329 F CA -1.672 56.302 58.000 -0.043 0.000 0.903 329 F CB 0.909 39.760 39.000 -0.247 0.000 1.357 329 F HN 0.632 nan 8.300 nan 0.000 0.472 330 W N 0.378 121.612 121.300 -0.110 0.000 3.047 330 W HA 0.854 5.514 4.660 -0.000 0.000 0.341 330 W C -1.853 174.608 176.519 -0.096 0.000 1.225 330 W CA -1.215 55.982 57.345 -0.247 0.000 1.150 330 W CB 1.369 30.771 29.460 -0.096 0.000 1.470 330 W HN 0.779 nan 8.180 nan 0.000 0.578 331 S N 0.957 116.641 115.700 -0.026 0.000 2.536 331 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 331 S C -2.215 172.485 174.600 0.166 0.000 1.134 331 S CA -0.534 57.650 58.200 -0.026 0.000 0.897 331 S CB 1.428 64.628 63.200 -0.000 0.000 1.094 331 S HN 0.603 nan 8.310 nan 0.000 0.473 332 D N 2.713 123.203 120.400 0.150 0.000 2.481 332 D HA 0.447 5.087 4.640 -0.000 0.000 0.246 332 D C -1.147 175.200 176.300 0.078 0.000 1.109 332 D CA -0.118 53.974 54.000 0.153 0.000 0.845 332 D CB 1.173 42.083 40.800 0.182 0.000 1.160 332 D HN 0.542 nan 8.370 nan 0.000 0.534 333 Q N 3.066 122.911 119.800 0.075 0.000 2.274 333 Q HA 0.270 4.610 4.340 -0.000 0.000 0.268 333 Q C -0.768 175.218 176.000 -0.024 0.000 1.015 333 Q CA -0.928 54.831 55.803 -0.073 0.000 0.775 333 Q CB 2.195 30.944 28.738 0.019 0.000 1.256 333 Q HN 0.563 nan 8.270 nan 0.000 0.442 334 Y N 1.244 121.568 120.300 0.039 0.000 3.491 334 Y HA -0.361 4.189 4.550 -0.000 0.000 0.215 334 Y C 0.159 176.073 175.900 0.023 0.000 1.219 334 Y CA 0.932 59.036 58.100 0.008 0.000 1.485 334 Y CB -1.890 36.543 38.460 -0.045 0.000 1.450 334 Y HN 0.878 nan 8.280 nan 0.000 0.603 335 E N -2.642 117.633 120.200 0.125 0.000 3.496 335 E HA -0.272 4.077 4.350 -0.000 0.000 0.300 335 E C -0.045 176.609 176.600 0.091 0.000 0.877 335 E CA 0.918 57.374 56.400 0.093 0.000 1.050 335 E CB -1.169 28.579 29.700 0.080 0.000 1.532 335 E HN 0.619 nan 8.360 nan 0.000 0.447 336 I N 1.445 122.090 120.570 0.125 0.000 2.371 336 I HA 0.176 4.346 4.170 -0.000 0.000 0.290 336 I C 1.243 177.411 176.117 0.085 0.000 1.028 336 I CA 0.039 61.407 61.300 0.114 0.000 1.345 336 I CB 1.050 39.163 38.000 0.190 0.000 1.407 336 I HN 0.038 nan 8.210 nan 0.000 0.501 337 G N 7.958 116.771 108.800 0.023 0.000 2.394 337 G HA2 0.494 4.454 3.960 -0.000 0.000 0.298 337 G HA3 0.494 4.454 3.960 -0.000 0.000 0.298 337 G C -0.437 174.433 174.900 -0.050 0.000 1.087 337 G CA -0.413 44.680 45.100 -0.012 0.000 1.035 337 G HN 0.470 nan 8.290 nan 0.000 0.420 338 L N 2.730 123.954 121.223 0.001 0.000 2.296 338 L HA 0.556 4.896 4.340 -0.000 0.000 0.286 338 L C 0.044 176.817 176.870 -0.162 0.000 1.023 338 L CA -0.666 54.148 54.840 -0.042 0.000 0.812 338 L CB 1.711 43.842 42.059 0.121 0.000 1.223 338 L HN 0.367 nan 8.230 nan 0.000 0.421 339 K N 5.325 125.522 120.400 -0.338 0.000 2.482 339 K HA 0.678 4.998 4.320 -0.000 0.000 0.251 339 K C -1.333 174.986 176.600 -0.469 0.000 0.936 339 K CA -0.799 55.129 56.287 -0.598 0.000 0.791 339 K CB 2.682 34.388 32.500 -1.323 0.000 1.213 339 K HN 0.418 nan 8.250 nan 0.000 0.428 340 M N 1.852 121.198 119.600 -0.424 0.000 2.393 340 M HA 0.504 4.984 4.480 -0.000 0.000 0.316 340 M C -0.793 175.629 176.300 0.203 0.000 1.087 340 M CA -1.202 53.985 55.300 -0.188 0.000 0.937 340 M CB 1.191 33.488 32.600 -0.505 0.000 1.668 340 M HN 0.397 nan 8.290 nan 0.000 0.438 341 V N 1.864 121.957 119.914 0.298 0.000 2.789 341 V HA 0.944 5.064 4.120 -0.000 0.000 0.311 341 V C 0.101 176.317 176.094 0.204 0.000 1.073 341 V CA 0.970 63.466 62.300 0.326 0.000 0.921 341 V CB 1.566 33.489 31.823 0.167 0.000 1.009 341 V HN 1.322 nan 8.190 nan 0.000 0.426 342 G N 4.832 113.776 108.800 0.240 0.000 2.760 342 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.246 342 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.246 342 G C -1.257 173.668 174.900 0.042 0.000 1.359 342 G CA -0.219 45.021 45.100 0.233 0.000 0.861 342 G HN 1.284 nan 8.290 nan 0.000 0.541 343 L N 0.501 121.623 121.223 -0.168 0.000 2.349 343 L HA 0.501 4.841 4.340 -0.000 0.000 0.278 343 L C 1.537 178.330 176.870 -0.129 0.000 0.996 343 L CA -0.226 54.450 54.840 -0.274 0.000 0.825 343 L CB 2.033 43.727 42.059 -0.608 0.000 1.243 343 L HN 0.945 nan 8.230 nan 0.000 0.412 344 S N -0.383 115.251 115.700 -0.110 0.000 2.607 344 S HA -0.044 4.426 4.470 -0.000 0.000 0.224 344 S C 0.615 175.355 174.600 0.232 0.000 0.969 344 S CA -0.098 58.089 58.200 -0.022 0.000 0.927 344 S CB -0.235 62.731 63.200 -0.390 0.000 0.772 344 S HN 0.637 nan 8.310 nan 0.000 0.533 345 E N 1.935 122.199 120.200 0.107 0.000 2.493 345 E HA 0.381 4.731 4.350 -0.000 0.000 0.255 345 E C 1.125 177.806 176.600 0.135 0.000 0.999 345 E CA 1.054 57.521 56.400 0.111 0.000 0.934 345 E CB -0.360 29.355 29.700 0.024 0.000 0.940 345 E HN 0.507 nan 8.360 nan 0.000 0.473 346 G N 3.621 112.475 108.800 0.090 0.000 2.131 346 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.223 346 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.223 346 G C -0.227 174.722 174.900 0.083 0.000 0.990 346 G CA 0.077 45.206 45.100 0.048 0.000 0.671 346 G HN 0.653 nan 8.290 nan 0.000 0.521 347 Y N 0.306 120.693 120.300 0.144 0.000 2.425 347 Y HA 0.629 5.179 4.550 -0.000 0.000 0.331 347 Y C 0.801 176.776 175.900 0.124 0.000 1.157 347 Y CA -0.593 57.609 58.100 0.169 0.000 1.372 347 Y CB 0.728 39.353 38.460 0.275 0.000 1.253 347 Y HN -0.036 nan 8.280 nan 0.000 0.536 348 D N 2.922 123.455 120.400 0.222 0.000 2.162 348 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 348 D C 0.400 176.820 176.300 0.200 0.000 0.964 348 D CA 1.220 55.295 54.000 0.125 0.000 0.847 348 D CB 0.138 41.000 40.800 0.103 0.000 0.988 348 D HN 0.787 nan 8.370 nan 0.000 0.480 349 R N -0.221 120.450 120.500 0.285 0.000 2.752 349 R HA 0.646 4.985 4.340 -0.000 0.000 0.271 349 R C -1.046 175.340 176.300 0.143 0.000 1.026 349 R CA -0.950 55.280 56.100 0.216 0.000 0.901 349 R CB 1.288 31.652 30.300 0.106 0.000 1.243 349 R HN 0.015 nan 8.270 nan 0.000 0.463 350 I N -1.271 119.299 120.570 -0.000 0.000 2.785 350 I HA 0.663 4.833 4.170 -0.000 0.000 0.302 350 I C -1.060 175.007 176.117 -0.083 0.000 1.069 350 I CA -1.360 59.835 61.300 -0.176 0.000 1.045 350 I CB 2.247 39.971 38.000 -0.459 0.000 1.236 350 I HN 0.527 nan 8.210 nan 0.000 0.429 351 I N 5.060 125.608 120.570 -0.036 0.000 2.466 351 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 351 I C -0.801 175.362 176.117 0.076 0.000 1.026 351 I CA -1.056 60.256 61.300 0.019 0.000 1.078 351 I CB 2.200 40.214 38.000 0.023 0.000 1.249 351 I HN 0.340 nan 8.210 nan 0.000 0.429 352 V N 6.660 126.581 119.914 0.013 0.000 2.350 352 V HA 0.337 4.457 4.120 -0.000 0.000 0.276 352 V C 0.375 176.509 176.094 0.065 0.000 1.028 352 V CA -0.599 61.706 62.300 0.009 0.000 0.860 352 V CB 1.262 33.004 31.823 -0.134 0.000 0.990 352 V HN 0.647 nan 8.190 nan 0.000 0.453 353 R N 4.117 124.726 120.500 0.182 0.000 2.391 353 R HA 0.583 4.923 4.340 -0.000 0.000 0.310 353 R C 0.336 176.726 176.300 0.150 0.000 1.174 353 R CA 0.691 56.898 56.100 0.177 0.000 1.118 353 R CB 0.235 30.728 30.300 0.322 0.000 1.134 353 R HN 1.055 nan 8.270 nan 0.000 0.524 354 G N 0.804 109.652 108.800 0.079 0.000 2.343 354 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.465 354 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.465 354 G C -1.416 173.484 174.900 -0.001 0.000 1.282 354 G CA -0.535 44.614 45.100 0.082 0.000 0.996 354 G HN 0.426 nan 8.290 nan 0.000 0.521 355 S N -1.111 114.593 115.700 0.007 0.000 2.508 355 S HA 0.586 5.056 4.470 -0.000 0.000 0.284 355 S C 1.452 175.936 174.600 -0.194 0.000 1.192 355 S CA -0.565 57.587 58.200 -0.079 0.000 1.070 355 S CB 0.953 64.140 63.200 -0.022 0.000 1.004 355 S HN 0.769 nan 8.310 nan 0.000 0.493 356 L N 3.676 124.669 121.223 -0.384 0.000 2.599 356 L HA 0.179 4.519 4.340 -0.000 0.000 0.230 356 L C 1.888 178.684 176.870 -0.123 0.000 1.141 356 L CA 0.331 54.823 54.840 -0.580 0.000 0.877 356 L CB -0.353 41.389 42.059 -0.528 0.000 1.009 356 L HN 0.802 nan 8.230 nan 0.000 0.447 357 A N 0.474 123.265 122.820 -0.048 0.000 2.476 357 A HA 0.219 4.539 4.320 -0.000 0.000 0.263 357 A C 0.278 177.925 177.584 0.105 0.000 1.342 357 A CA -0.064 51.983 52.037 0.016 0.000 0.926 357 A CB -0.257 18.729 19.000 -0.024 0.000 1.019 357 A HN 0.499 nan 8.150 nan 0.000 0.515 358 Q N -1.273 118.647 119.800 0.201 0.000 2.617 358 Q HA 0.240 4.580 4.340 -0.000 0.000 0.270 358 Q C -3.274 172.900 176.000 0.290 0.000 0.967 358 Q CA -1.772 54.163 55.803 0.221 0.000 0.887 358 Q CB 1.176 29.991 28.738 0.129 0.000 1.516 358 Q HN 0.095 nan 8.270 nan 0.000 0.395 359 P HA 0.129 nan 4.420 nan 0.000 0.244 359 P C -1.054 176.174 177.300 -0.120 0.000 1.769 359 P CA 0.613 63.732 63.100 0.032 0.000 1.102 359 P CB -0.321 31.471 31.700 0.153 0.000 1.937 360 D N 3.489 123.787 120.400 -0.170 0.000 2.684 360 D HA 0.298 4.938 4.640 -0.000 0.000 0.233 360 D C -1.183 175.118 176.300 0.001 0.000 1.374 360 D CA -0.250 53.676 54.000 -0.123 0.000 0.906 360 D CB -0.149 40.649 40.800 -0.003 0.000 1.526 360 D HN 0.138 nan 8.370 nan 0.000 0.518 361 F N -0.828 119.043 119.950 -0.131 0.000 2.900 361 F HA 0.753 5.280 4.527 -0.000 0.000 0.321 361 F C -1.587 174.137 175.800 -0.126 0.000 1.160 361 F CA -0.951 56.980 58.000 -0.116 0.000 0.890 361 F CB 0.786 39.695 39.000 -0.152 0.000 1.334 361 F HN -0.080 nan 8.300 nan 0.000 0.459 362 S N 0.540 116.374 115.700 0.223 0.000 2.536 362 S HA 0.802 5.272 4.470 -0.000 0.000 0.287 362 S C -1.558 173.098 174.600 0.094 0.000 1.101 362 S CA -0.782 57.438 58.200 0.033 0.000 0.950 362 S CB 2.165 65.296 63.200 -0.116 0.000 1.056 362 S HN 0.655 nan 8.310 nan 0.000 0.481 363 V N 3.409 123.307 119.914 -0.027 0.000 2.376 363 V HA 0.465 4.585 4.120 -0.000 0.000 0.287 363 V C -1.264 174.742 176.094 -0.146 0.000 1.015 363 V CA -0.572 61.705 62.300 -0.039 0.000 0.834 363 V CB 0.487 32.295 31.823 -0.024 0.000 1.001 363 V HN 0.784 nan 8.190 nan 0.000 0.428 364 F N 4.225 124.156 119.950 -0.030 0.000 2.420 364 F HA 0.521 5.048 4.527 -0.000 0.000 0.352 364 F C -0.053 175.703 175.800 -0.074 0.000 1.108 364 F CA -0.437 57.590 58.000 0.044 0.000 1.162 364 F CB 0.714 39.734 39.000 0.033 0.000 1.118 364 F HN 0.377 nan 8.300 nan 0.000 0.510 365 Y N 4.174 124.543 120.300 0.114 0.000 2.353 365 Y HA 0.547 5.097 4.550 -0.000 0.000 0.340 365 Y C -0.596 175.397 175.900 0.155 0.000 0.972 365 Y CA -0.847 57.272 58.100 0.032 0.000 1.157 365 Y CB 0.779 39.200 38.460 -0.066 0.000 1.157 365 Y HN 0.307 nan 8.280 nan 0.000 0.495 366 L N 3.000 124.383 121.223 0.268 0.000 2.362 366 L HA 0.491 4.831 4.340 -0.000 0.000 0.271 366 L C -0.352 176.670 176.870 0.254 0.000 1.002 366 L CA -0.858 54.126 54.840 0.239 0.000 0.818 366 L CB 2.039 44.191 42.059 0.156 0.000 1.298 366 L HN 0.513 nan 8.230 nan 0.000 0.420 367 Q N 1.717 121.639 119.800 0.203 0.000 2.508 367 Q HA 0.521 4.861 4.340 -0.000 0.000 0.247 367 Q C 0.408 176.475 176.000 0.111 0.000 1.047 367 Q CA 0.427 56.329 55.803 0.164 0.000 0.783 367 Q CB 0.752 29.586 28.738 0.161 0.000 1.172 367 Q HN 0.864 nan 8.270 nan 0.000 0.515 368 G N 3.570 112.426 108.800 0.093 0.000 2.728 368 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.269 368 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.269 368 G C 0.164 175.099 174.900 0.059 0.000 1.334 368 G CA 0.300 45.439 45.100 0.064 0.000 0.974 368 G HN 0.639 nan 8.290 nan 0.000 0.550 369 D N 0.891 121.320 120.400 0.049 0.000 2.469 369 D HA 0.156 4.796 4.640 -0.000 0.000 0.213 369 D C 1.204 177.531 176.300 0.045 0.000 1.135 369 D CA -0.073 53.949 54.000 0.037 0.000 0.834 369 D CB 0.583 41.395 40.800 0.018 0.000 1.009 369 D HN 0.435 nan 8.370 nan 0.000 0.507 370 R N 1.396 121.934 120.500 0.063 0.000 2.357 370 R HA 0.314 4.654 4.340 -0.000 0.000 0.296 370 R C -0.618 175.751 176.300 0.115 0.000 1.052 370 R CA -0.248 55.894 56.100 0.070 0.000 0.988 370 R CB 1.022 31.358 30.300 0.060 0.000 1.025 370 R HN -0.281 nan 8.270 nan 0.000 0.469 371 V N 7.400 127.388 119.914 0.123 0.000 2.408 371 V HA 0.073 4.193 4.120 -0.000 0.000 0.267 371 V C 1.275 177.494 176.094 0.208 0.000 1.047 371 V CA -0.117 62.300 62.300 0.195 0.000 0.937 371 V CB 1.208 33.165 31.823 0.223 0.000 0.999 371 V HN 0.863 nan 8.190 nan 0.000 0.472 372 L N 3.820 125.207 121.223 0.272 0.000 2.102 372 L HA 0.403 4.743 4.340 -0.000 0.000 0.202 372 L C 1.027 178.092 176.870 0.325 0.000 1.076 372 L CA 1.276 56.318 54.840 0.335 0.000 0.761 372 L CB -0.032 42.238 42.059 0.352 0.000 0.921 372 L HN 0.768 nan 8.230 nan 0.000 0.444 373 A N -1.105 121.871 122.820 0.260 0.000 2.599 373 A HA 0.705 5.025 4.320 -0.000 0.000 0.290 373 A C -1.586 176.113 177.584 0.191 0.000 1.101 373 A CA -0.421 51.712 52.037 0.160 0.000 0.674 373 A CB 1.790 20.776 19.000 -0.023 0.000 1.277 373 A HN -0.209 nan 8.150 nan 0.000 0.419 374 V N 1.308 121.277 119.914 0.091 0.000 2.668 374 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 374 V C -1.760 174.356 176.094 0.036 0.000 1.071 374 V CA -0.764 61.534 62.300 -0.004 0.000 0.894 374 V CB 2.117 33.775 31.823 -0.275 0.000 1.008 374 V HN 0.839 nan 8.190 nan 0.000 0.425 375 D N 2.737 123.191 120.400 0.091 0.000 2.349 375 D HA 0.551 5.191 4.640 -0.000 0.000 0.232 375 D C 0.184 176.464 176.300 -0.034 0.000 1.071 375 D CA -0.024 54.018 54.000 0.070 0.000 0.832 375 D CB 2.014 42.949 40.800 0.224 0.000 1.086 375 D HN 0.741 nan 8.370 nan 0.000 0.504 376 T N -1.399 113.095 114.554 -0.101 0.000 2.855 376 T HA 0.594 4.944 4.350 -0.000 0.000 0.281 376 T C -0.286 174.233 174.700 -0.301 0.000 1.007 376 T CA -0.779 61.209 62.100 -0.187 0.000 1.009 376 T CB 1.302 70.114 68.868 -0.092 0.000 0.983 376 T HN -0.014 nan 8.240 nan 0.000 0.455 377 V N 4.484 124.099 119.914 -0.499 0.000 2.304 377 V HA 0.407 4.527 4.120 -0.000 0.000 0.278 377 V C -0.022 175.833 176.094 -0.399 0.000 1.018 377 V CA -0.863 61.099 62.300 -0.563 0.000 0.814 377 V CB 0.177 31.302 31.823 -1.164 0.000 1.021 377 V HN 1.067 nan 8.190 nan 0.000 0.440 378 N N 4.004 122.566 118.700 -0.230 0.000 2.780 378 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 378 N C 0.104 175.537 175.510 -0.128 0.000 1.102 378 N CA 0.724 53.685 53.050 -0.149 0.000 0.697 378 N CB -0.548 37.866 38.487 -0.121 0.000 1.028 378 N HN 0.753 nan 8.380 nan 0.000 0.554 379 R N 0.068 120.491 120.500 -0.129 0.000 2.639 379 R HA 0.176 4.515 4.340 -0.000 0.000 0.273 379 R C -1.711 174.573 176.300 -0.027 0.000 1.732 379 R CA -1.191 54.867 56.100 -0.071 0.000 1.586 379 R CB 1.523 31.783 30.300 -0.068 0.000 1.263 379 R HN 0.024 nan 8.270 nan 0.000 0.615 380 P HA -0.115 nan 4.420 nan 0.000 0.217 380 P C 1.315 178.648 177.300 0.056 0.000 1.150 380 P CA 0.930 64.035 63.100 0.009 0.000 0.832 380 P CB 0.446 32.121 31.700 -0.040 0.000 0.787 381 V N 1.085 121.007 119.914 0.013 0.000 2.323 381 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 381 V C 2.536 178.633 176.094 0.005 0.000 1.041 381 V CA 1.757 64.056 62.300 -0.001 0.000 1.025 381 V CB -1.291 30.527 31.823 -0.009 0.000 0.656 381 V HN 0.126 nan 8.190 nan 0.000 0.451 382 E N -0.559 119.658 120.200 0.028 0.000 2.268 382 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 382 E C 1.969 178.586 176.600 0.028 0.000 0.995 382 E CA 1.220 57.646 56.400 0.043 0.000 0.836 382 E CB -0.159 29.581 29.700 0.066 0.000 0.763 382 E HN 0.652 nan 8.360 nan 0.000 0.491 383 F N 2.121 122.004 119.950 -0.112 0.000 2.128 383 F HA -0.110 4.417 4.527 -0.000 0.000 0.295 383 F C 1.577 177.277 175.800 -0.166 0.000 1.100 383 F CA 1.581 59.489 58.000 -0.154 0.000 1.260 383 F CB -0.336 38.553 39.000 -0.185 0.000 1.009 383 F HN -0.100 nan 8.300 nan 0.000 0.476 384 N N -0.196 118.310 118.700 -0.323 0.000 2.120 384 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 384 N C 1.761 177.081 175.510 -0.317 0.000 1.024 384 N CA 1.460 54.258 53.050 -0.420 0.000 0.852 384 N CB -0.235 38.129 38.487 -0.205 0.000 1.003 384 N HN 0.472 nan 8.380 nan 0.000 0.424 385 Q N 0.274 119.970 119.800 -0.174 0.000 2.124 385 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 385 Q C 2.014 177.955 176.000 -0.098 0.000 0.977 385 Q CA 1.002 56.744 55.803 -0.101 0.000 0.850 385 Q CB 0.026 28.747 28.738 -0.029 0.000 0.901 385 Q HN 0.255 nan 8.270 nan 0.000 0.429 386 S N 0.636 116.261 115.700 -0.126 0.000 2.382 386 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 386 S C 1.665 176.166 174.600 -0.165 0.000 1.027 386 S CA 1.009 59.160 58.200 -0.082 0.000 0.991 386 S CB -0.027 63.106 63.200 -0.113 0.000 0.823 386 S HN 0.270 nan 8.310 nan 0.000 0.469 387 K N 1.021 121.205 120.400 -0.361 0.000 2.044 387 K HA -0.220 4.099 4.320 -0.000 0.000 0.210 387 K C 2.449 178.950 176.600 -0.167 0.000 1.049 387 K CA 1.558 57.644 56.287 -0.336 0.000 0.927 387 K CB -0.257 31.938 32.500 -0.507 0.000 0.713 387 K HN 0.391 nan 8.250 nan 0.000 0.443 388 Q N 1.028 120.736 119.800 -0.152 0.000 2.045 388 Q HA -0.210 4.130 4.340 -0.000 0.000 0.206 388 Q C 2.105 178.076 176.000 -0.049 0.000 0.991 388 Q CA 1.721 57.471 55.803 -0.089 0.000 0.851 388 Q CB -0.140 28.550 28.738 -0.081 0.000 0.911 388 Q HN 0.322 nan 8.270 nan 0.000 0.418 389 I N 0.750 121.303 120.570 -0.029 0.000 2.151 389 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 389 I C 2.270 178.391 176.117 0.007 0.000 1.080 389 I CA 0.930 62.233 61.300 0.005 0.000 1.339 389 I CB -0.429 37.604 38.000 0.055 0.000 1.039 389 I HN 0.333 nan 8.210 nan 0.000 0.409 390 I N 0.564 121.141 120.570 0.012 0.000 2.142 390 I HA -0.224 3.946 4.170 -0.000 0.000 0.240 390 I C 2.674 178.779 176.117 -0.020 0.000 1.078 390 I CA 1.812 63.122 61.300 0.018 0.000 1.343 390 I CB -1.833 36.207 38.000 0.066 0.000 1.046 390 I HN 0.257 nan 8.210 nan 0.000 0.405 391 T N 1.123 115.667 114.554 -0.017 0.000 2.652 391 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 391 T C 1.238 175.919 174.700 -0.032 0.000 1.039 391 T CA 1.609 63.697 62.100 -0.019 0.000 1.153 391 T CB -0.277 68.580 68.868 -0.018 0.000 0.863 391 T HN 0.294 nan 8.240 nan 0.000 0.428 392 D N 0.511 120.893 120.400 -0.030 0.000 2.328 392 D HA 0.080 4.720 4.640 -0.000 0.000 0.226 392 D C 0.552 176.835 176.300 -0.029 0.000 1.066 392 D CA 0.053 54.036 54.000 -0.028 0.000 0.861 392 D CB -0.019 40.766 40.800 -0.025 0.000 0.912 392 D HN 0.047 nan 8.370 nan 0.000 0.521 393 R N 0.587 121.066 120.500 -0.034 0.000 3.416 393 R HA -0.172 4.168 4.340 -0.000 0.000 0.263 393 R C -0.390 175.899 176.300 -0.018 0.000 1.053 393 R CA 0.206 56.287 56.100 -0.032 0.000 0.705 393 R CB -2.195 28.080 30.300 -0.043 0.000 1.124 393 R HN 0.360 nan 8.270 nan 0.000 0.444 394 L N 1.314 122.530 121.223 -0.011 0.000 2.453 394 L HA 0.091 4.431 4.340 -0.000 0.000 0.272 394 L C -1.079 175.787 176.870 -0.007 0.000 1.182 394 L CA -1.353 53.481 54.840 -0.010 0.000 0.858 394 L CB 0.236 42.289 42.059 -0.010 0.000 1.120 394 L HN -0.091 nan 8.230 nan 0.000 0.474 395 P HA 0.048 nan 4.420 nan 0.000 0.220 395 P C -0.204 177.084 177.300 -0.019 0.000 1.778 395 P CA -0.286 62.807 63.100 -0.011 0.000 0.912 395 P CB -0.276 31.417 31.700 -0.011 0.000 1.861 396 V N -1.973 117.927 119.914 -0.024 0.000 2.901 396 V HA 0.089 4.209 4.120 -0.000 0.000 0.307 396 V C 0.675 176.735 176.094 -0.056 0.000 1.084 396 V CA -0.516 61.756 62.300 -0.046 0.000 1.184 396 V CB 0.149 31.934 31.823 -0.064 0.000 0.941 396 V HN 0.082 nan 8.190 nan 0.000 0.493 397 E N 5.495 125.655 120.200 -0.067 0.000 2.166 397 E HA 0.306 4.656 4.350 -0.000 0.000 0.279 397 E C -1.880 174.664 176.600 -0.094 0.000 1.095 397 E CA -2.268 54.093 56.400 -0.064 0.000 0.888 397 E CB 1.141 30.808 29.700 -0.055 0.000 1.041 397 E HN 0.556 nan 8.360 nan 0.000 0.414 398 P HA -0.169 nan 4.420 nan 0.000 0.216 398 P C 0.214 177.455 177.300 -0.098 0.000 1.153 398 P CA 1.199 64.245 63.100 -0.090 0.000 0.858 398 P CB 0.223 31.898 31.700 -0.043 0.000 0.789 399 N N -1.180 117.478 118.700 -0.071 0.000 2.521 399 N HA 0.008 4.748 4.740 -0.000 0.000 0.188 399 N C 1.247 176.713 175.510 -0.073 0.000 1.146 399 N CA 0.696 53.709 53.050 -0.062 0.000 0.893 399 N CB -0.170 38.292 38.487 -0.042 0.000 0.975 399 N HN 0.295 nan 8.380 nan 0.000 0.451 400 L N -0.289 120.875 121.223 -0.099 0.000 2.701 400 L HA 0.237 4.577 4.340 -0.000 0.000 0.238 400 L C 1.772 178.555 176.870 -0.145 0.000 1.106 400 L CA 0.059 54.840 54.840 -0.099 0.000 0.898 400 L CB 0.202 42.211 42.059 -0.084 0.000 1.188 400 L HN 0.005 nan 8.230 nan 0.000 0.508 401 L N 0.046 121.129 121.223 -0.233 0.000 2.083 401 L HA -0.112 4.228 4.340 -0.000 0.000 0.209 401 L C 2.427 179.151 176.870 -0.245 0.000 1.083 401 L CA 1.621 56.212 54.840 -0.415 0.000 0.752 401 L CB -0.738 40.879 42.059 -0.737 0.000 0.899 401 L HN 0.337 nan 8.230 nan 0.000 0.433 402 G N -1.552 107.167 108.800 -0.134 0.000 2.551 402 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.216 402 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.216 402 G C 0.425 175.308 174.900 -0.027 0.000 1.137 402 G CA -0.139 44.933 45.100 -0.046 0.000 0.798 402 G HN 0.210 nan 8.290 nan 0.000 0.536 403 D N 0.744 121.117 120.400 -0.045 0.000 2.339 403 D HA 0.112 4.752 4.640 -0.000 0.000 0.256 403 D C 0.935 177.225 176.300 -0.016 0.000 1.214 403 D CA -0.087 53.896 54.000 -0.029 0.000 0.877 403 D CB 0.766 41.544 40.800 -0.036 0.000 1.111 403 D HN 0.296 nan 8.370 nan 0.000 0.478 404 E N 1.292 121.491 120.200 -0.001 0.000 2.489 404 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 404 E C 1.462 178.064 176.600 0.003 0.000 1.057 404 E CA 0.099 56.505 56.400 0.010 0.000 0.866 404 E CB 0.297 30.009 29.700 0.020 0.000 0.916 404 E HN 0.487 nan 8.360 nan 0.000 0.500 405 S N -0.323 115.374 115.700 -0.005 0.000 2.496 405 S HA 0.021 4.491 4.470 -0.000 0.000 0.224 405 S C 0.900 175.495 174.600 -0.009 0.000 0.996 405 S CA -0.174 58.022 58.200 -0.006 0.000 0.927 405 S CB 0.233 63.428 63.200 -0.008 0.000 0.774 405 S HN -0.088 nan 8.310 nan 0.000 0.524 406 V N 3.907 123.813 119.914 -0.013 0.000 2.311 406 V HA 0.403 4.523 4.120 -0.000 0.000 0.275 406 V C -2.557 173.529 176.094 -0.014 0.000 1.022 406 V CA -2.133 60.156 62.300 -0.018 0.000 0.830 406 V CB 0.663 32.468 31.823 -0.029 0.000 1.012 406 V HN 0.147 nan 8.190 nan 0.000 0.452 407 P HA 0.003 nan 4.420 nan 0.000 0.264 407 P C 0.773 178.070 177.300 -0.005 0.000 1.183 407 P CA -0.107 62.992 63.100 -0.003 0.000 0.763 407 P CB 0.706 32.404 31.700 -0.004 0.000 0.807 408 L N 4.587 125.816 121.223 0.009 0.000 2.131 408 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 408 L C 2.108 178.978 176.870 0.001 0.000 1.092 408 L CA 1.887 56.735 54.840 0.013 0.000 0.759 408 L CB -0.854 41.242 42.059 0.063 0.000 0.903 408 L HN 0.332 nan 8.230 nan 0.000 0.435 409 K N -0.425 119.974 120.400 -0.001 0.000 2.063 409 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 409 K C 1.824 178.416 176.600 -0.014 0.000 1.048 409 K CA 1.896 58.178 56.287 -0.009 0.000 0.928 409 K CB -0.043 32.451 32.500 -0.010 0.000 0.713 409 K HN 0.506 nan 8.250 nan 0.000 0.442 410 E N 0.354 120.545 120.200 -0.015 0.000 2.107 410 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 410 E C 2.063 178.649 176.600 -0.024 0.000 0.982 410 E CA 0.995 57.384 56.400 -0.019 0.000 0.809 410 E CB -0.040 29.650 29.700 -0.018 0.000 0.756 410 E HN 0.346 nan 8.360 nan 0.000 0.459 411 I N 1.121 121.673 120.570 -0.030 0.000 2.226 411 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 411 I C 2.318 178.414 176.117 -0.035 0.000 1.100 411 I CA 1.124 62.398 61.300 -0.042 0.000 1.374 411 I CB -0.226 37.734 38.000 -0.066 0.000 1.057 411 I HN 0.110 nan 8.210 nan 0.000 0.413 412 I N 0.701 121.255 120.570 -0.026 0.000 2.202 412 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 412 I C 2.856 178.960 176.117 -0.021 0.000 1.091 412 I CA 1.212 62.500 61.300 -0.021 0.000 1.368 412 I CB -0.509 37.482 38.000 -0.016 0.000 1.058 412 I HN 0.159 nan 8.210 nan 0.000 0.410 413 A N 0.981 123.789 122.820 -0.020 0.000 1.892 413 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 413 A C 2.544 180.117 177.584 -0.018 0.000 1.188 413 A CA 2.229 54.255 52.037 -0.018 0.000 0.631 413 A CB -0.968 18.021 19.000 -0.017 0.000 0.822 413 A HN 0.449 nan 8.150 nan 0.000 0.447 414 A N -0.388 122.420 122.820 -0.020 0.000 1.933 414 A HA 0.167 4.486 4.320 -0.000 0.000 0.218 414 A C 2.503 180.075 177.584 -0.020 0.000 1.175 414 A CA 2.116 54.141 52.037 -0.020 0.000 0.628 414 A CB -0.992 17.994 19.000 -0.023 0.000 0.814 414 A HN 1.115 nan 8.150 nan 0.000 0.444 415 A N 0.079 122.885 122.820 -0.022 0.000 1.902 415 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 415 A C 2.087 179.661 177.584 -0.017 0.000 1.181 415 A CA 1.813 53.838 52.037 -0.020 0.000 0.623 415 A CB -0.418 18.569 19.000 -0.022 0.000 0.818 415 A HN 0.573 nan 8.150 nan 0.000 0.443 416 K N -0.181 120.209 120.400 -0.017 0.000 2.148 416 K HA 0.045 4.365 4.320 -0.000 0.000 0.204 416 K C 2.210 178.802 176.600 -0.013 0.000 1.050 416 K CA 0.984 57.262 56.287 -0.015 0.000 0.942 416 K CB -0.284 32.207 32.500 -0.016 0.000 0.724 416 K HN 0.419 nan 8.250 nan 0.000 0.446 417 A N 1.614 124.425 122.820 -0.014 0.000 1.930 417 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 417 A C 2.052 179.630 177.584 -0.011 0.000 1.175 417 A CA 1.460 53.489 52.037 -0.012 0.000 0.627 417 A CB -0.347 18.645 19.000 -0.013 0.000 0.815 417 A HN 0.380 nan 8.150 nan 0.000 0.443 418 E N -0.219 119.974 120.200 -0.012 0.000 2.204 418 E HA -0.102 4.248 4.350 -0.000 0.000 0.194 418 E C 1.751 178.346 176.600 -0.010 0.000 0.989 418 E CA 0.695 57.089 56.400 -0.011 0.000 0.824 418 E CB -0.171 29.521 29.700 -0.012 0.000 0.756 418 E HN 0.649 nan 8.360 nan 0.000 0.477 419 L N -0.000 121.216 121.223 -0.010 0.000 2.156 419 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 419 L C 2.448 179.313 176.870 -0.008 0.000 1.095 419 L CA 0.714 55.548 54.840 -0.009 0.000 0.770 419 L CB -0.103 41.950 42.059 -0.010 0.000 0.914 419 L HN 0.102 nan 8.230 nan 0.000 0.439 420 S N -1.046 114.649 115.700 -0.008 0.000 2.325 420 S HA -0.151 4.319 4.470 -0.000 0.000 0.214 420 S C 2.027 176.623 174.600 -0.006 0.000 1.031 420 S CA 1.501 59.696 58.200 -0.007 0.000 0.972 420 S CB -0.173 63.022 63.200 -0.008 0.000 0.908 420 S HN 0.288 nan 8.310 nan 0.000 0.453 421 S N 0.477 116.173 115.700 -0.007 0.000 2.527 421 S HA 0.423 4.892 4.470 -0.000 0.000 0.222 421 S C 0.306 174.903 174.600 -0.005 0.000 0.985 421 S CA 0.229 58.426 58.200 -0.006 0.000 0.921 421 S CB -0.108 63.089 63.200 -0.006 0.000 0.772 421 S HN 0.477 nan 8.310 nan 0.000 0.529 422 A N 2.091 124.908 122.820 -0.006 0.000 2.311 422 A HA 0.728 5.048 4.320 -0.000 0.000 0.306 422 A C -2.469 175.113 177.584 -0.005 0.000 1.189 422 A CA -1.373 50.661 52.037 -0.005 0.000 0.791 422 A CB 0.536 19.533 19.000 -0.006 0.000 1.172 422 A HN 0.318 nan 8.150 nan 0.000 0.481 423 P HA 0.000 nan 4.420 nan 0.000 0.216 423 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 423 P CB 0.000 31.699 31.700 -0.002 0.000 0.726