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 1q1r_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 A 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 0.000 175.135 175.510 -0.626 0.000 1.280 2 N CA 0.000 52.726 53.050 -0.539 0.000 0.885 2 N CB 0.000 38.234 38.487 -0.422 0.000 1.341 3 A N 0.527 123.135 122.820 -0.353 0.000 2.379 3 A HA 0.107 4.427 4.320 -0.000 0.000 0.236 3 A C 1.145 178.621 177.584 -0.180 0.000 1.272 3 A CA 0.353 52.229 52.037 -0.268 0.000 0.886 3 A CB -0.323 18.575 19.000 -0.169 0.000 0.962 3 A HN 0.620 nan 8.150 nan 0.000 0.504 4 N N -0.202 118.391 118.700 -0.179 0.000 2.380 4 N HA -0.000 4.740 4.740 -0.000 0.000 0.227 4 N C -1.021 174.460 175.510 -0.048 0.000 1.139 4 N CA 0.104 53.100 53.050 -0.090 0.000 0.843 4 N CB 0.419 38.864 38.487 -0.070 0.000 1.327 4 N HN 0.292 nan 8.380 nan 0.000 0.470 5 D N 1.743 122.096 120.400 -0.077 0.000 2.425 5 D HA 0.143 4.783 4.640 -0.000 0.000 0.247 5 D C -0.412 176.022 176.300 0.222 0.000 1.147 5 D CA 0.446 54.482 54.000 0.061 0.000 0.879 5 D CB 0.373 41.222 40.800 0.080 0.000 1.179 5 D HN 0.121 nan 8.370 nan 0.000 0.456 6 N N 1.264 120.104 118.700 0.232 0.000 2.421 6 N HA 0.350 5.089 4.740 -0.000 0.000 0.285 6 N C -1.047 174.632 175.510 0.281 0.000 1.027 6 N CA -0.548 52.657 53.050 0.258 0.000 0.918 6 N CB 2.087 40.668 38.487 0.157 0.000 1.152 6 N HN 0.161 nan 8.380 nan 0.000 0.485 7 V N 2.628 122.677 119.914 0.225 0.000 2.459 7 V HA 0.465 4.585 4.120 -0.000 0.000 0.295 7 V C -0.793 175.298 176.094 -0.005 0.000 1.029 7 V CA -0.528 61.798 62.300 0.044 0.000 0.874 7 V CB 1.572 33.245 31.823 -0.251 0.000 0.985 7 V HN 0.312 nan 8.190 nan 0.000 0.438 8 V N 8.107 128.006 119.914 -0.025 0.000 2.417 8 V HA 0.542 4.662 4.120 -0.000 0.000 0.291 8 V C -0.157 175.869 176.094 -0.113 0.000 1.024 8 V CA -0.432 61.840 62.300 -0.046 0.000 0.861 8 V CB 1.674 33.493 31.823 -0.006 0.000 0.985 8 V HN 0.755 nan 8.190 nan 0.000 0.436 9 I N 5.031 125.545 120.570 -0.094 0.000 2.382 9 I HA 0.392 4.562 4.170 -0.000 0.000 0.286 9 I C -0.468 175.604 176.117 -0.075 0.000 1.002 9 I CA -0.769 60.471 61.300 -0.100 0.000 1.135 9 I CB 1.961 39.904 38.000 -0.095 0.000 1.288 9 I HN 0.264 nan 8.210 nan 0.000 0.448 10 V N 5.762 125.627 119.914 -0.081 0.000 2.368 10 V HA 0.759 4.879 4.120 -0.000 0.000 0.266 10 V C 0.531 176.594 176.094 -0.053 0.000 1.045 10 V CA -0.297 61.966 62.300 -0.062 0.000 0.899 10 V CB 0.456 32.239 31.823 -0.067 0.000 1.006 10 V HN 1.055 nan 8.190 nan 0.000 0.470 11 G N 3.317 112.091 108.800 -0.043 0.000 3.326 11 G HA2 0.020 3.980 3.960 -0.000 0.000 0.681 11 G HA3 0.020 3.980 3.960 -0.000 0.000 0.681 11 G C -0.138 174.741 174.900 -0.035 0.000 1.255 11 G CA -0.318 44.757 45.100 -0.041 0.000 0.976 11 G HN 1.032 nan 8.290 nan 0.000 0.563 12 T N 0.193 114.726 114.554 -0.035 0.000 3.275 12 T HA 0.627 4.976 4.350 -0.000 0.000 0.265 12 T C 1.244 175.915 174.700 -0.050 0.000 0.978 12 T CA 0.828 62.914 62.100 -0.023 0.000 0.923 12 T CB 0.703 69.558 68.868 -0.022 0.000 1.126 12 T HN 1.581 nan 8.240 nan 0.000 0.538 13 G N 0.927 109.687 108.800 -0.067 0.000 2.525 13 G HA2 0.475 4.434 3.960 -0.000 0.000 0.287 13 G HA3 0.475 4.434 3.960 -0.000 0.000 0.287 13 G C 0.784 175.632 174.900 -0.086 0.000 1.350 13 G CA -0.681 44.355 45.100 -0.106 0.000 1.039 13 G HN 0.293 nan 8.290 nan 0.000 0.513 14 L N 0.391 121.553 121.223 -0.102 0.000 2.043 14 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 14 L C 3.009 179.852 176.870 -0.045 0.000 1.075 14 L CA 2.941 57.735 54.840 -0.077 0.000 0.752 14 L CB -0.828 41.195 42.059 -0.061 0.000 0.891 14 L HN 0.558 nan 8.230 nan 0.000 0.432 15 A N -0.522 122.269 122.820 -0.048 0.000 1.865 15 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 15 A C 2.367 179.929 177.584 -0.036 0.000 1.191 15 A CA 1.916 53.927 52.037 -0.043 0.000 0.623 15 A CB -1.697 17.273 19.000 -0.049 0.000 0.826 15 A HN 0.548 nan 8.150 nan 0.000 0.444 16 G N -0.809 107.971 108.800 -0.034 0.000 2.421 16 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 16 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 16 G C 1.522 176.426 174.900 0.007 0.000 1.171 16 G CA 1.253 46.336 45.100 -0.028 0.000 0.775 16 G HN 0.338 nan 8.290 nan 0.000 0.543 17 V N 0.824 120.766 119.914 0.047 0.000 2.343 17 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 17 V C 2.679 178.876 176.094 0.172 0.000 1.051 17 V CA 2.258 64.646 62.300 0.148 0.000 1.036 17 V CB -0.263 31.645 31.823 0.143 0.000 0.654 17 V HN 0.439 nan 8.190 nan 0.000 0.451 18 E N 0.187 120.427 120.200 0.067 0.000 2.150 18 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 18 E C 2.015 178.638 176.600 0.039 0.000 0.985 18 E CA 1.258 57.690 56.400 0.054 0.000 0.814 18 E CB -0.297 29.408 29.700 0.008 0.000 0.752 18 E HN 0.363 nan 8.360 nan 0.000 0.466 19 V N 0.651 120.561 119.914 -0.007 0.000 2.307 19 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 19 V C 2.336 178.372 176.094 -0.096 0.000 1.045 19 V CA 1.741 64.003 62.300 -0.063 0.000 1.024 19 V CB -0.978 30.788 31.823 -0.095 0.000 0.651 19 V HN 0.440 nan 8.190 nan 0.000 0.449 20 A N -0.188 122.579 122.820 -0.088 0.000 1.859 20 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 20 A C 2.034 179.473 177.584 -0.242 0.000 1.198 20 A CA 2.247 54.168 52.037 -0.193 0.000 0.629 20 A CB -0.881 18.002 19.000 -0.194 0.000 0.830 20 A HN 0.477 nan 8.150 nan 0.000 0.446 21 F N 0.207 120.091 119.950 -0.111 0.000 2.259 21 F HA 0.046 4.573 4.527 -0.000 0.000 0.298 21 F C 2.620 178.380 175.800 -0.066 0.000 1.088 21 F CA 0.906 58.845 58.000 -0.101 0.000 1.358 21 F CB -0.654 38.269 39.000 -0.129 0.000 1.040 21 F HN 0.297 nan 8.300 nan 0.000 0.505 22 G N -0.054 108.801 108.800 0.091 0.000 2.402 22 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 22 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 22 G C 1.646 176.553 174.900 0.012 0.000 1.162 22 G CA 0.539 45.665 45.100 0.044 0.000 0.777 22 G HN 0.159 nan 8.290 nan 0.000 0.539 23 L N 0.526 121.714 121.223 -0.058 0.000 1.989 23 L HA 0.010 4.349 4.340 -0.000 0.000 0.211 23 L C 2.740 179.641 176.870 0.051 0.000 1.071 23 L CA 1.731 56.516 54.840 -0.092 0.000 0.749 23 L CB -0.665 41.182 42.059 -0.353 0.000 0.890 23 L HN 0.167 nan 8.230 nan 0.000 0.431 24 R N -0.665 119.843 120.500 0.013 0.000 2.237 24 R HA 0.005 4.345 4.340 -0.000 0.000 0.219 24 R C 1.892 178.241 176.300 0.082 0.000 1.080 24 R CA 1.147 57.290 56.100 0.072 0.000 0.995 24 R CB -0.358 29.928 30.300 -0.024 0.000 0.875 24 R HN 0.409 nan 8.270 nan 0.000 0.462 25 A N -1.464 121.401 122.820 0.076 0.000 2.030 25 A HA 0.102 4.422 4.320 -0.000 0.000 0.215 25 A C 1.644 179.271 177.584 0.072 0.000 1.164 25 A CA 0.853 52.935 52.037 0.075 0.000 0.697 25 A CB 0.070 19.116 19.000 0.076 0.000 0.827 25 A HN 0.259 nan 8.150 nan 0.000 0.457 26 S N -0.980 114.770 115.700 0.084 0.000 2.631 26 S HA 0.381 4.851 4.470 -0.000 0.000 0.217 26 S C 1.183 175.847 174.600 0.106 0.000 0.958 26 S CA 0.657 58.908 58.200 0.086 0.000 0.920 26 S CB 0.099 63.350 63.200 0.085 0.000 0.776 26 S HN 1.507 nan 8.310 nan 0.000 0.517 27 G N 1.052 109.921 108.800 0.115 0.000 2.134 27 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.209 27 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.209 27 G C -0.190 174.789 174.900 0.131 0.000 0.993 27 G CA -0.452 44.708 45.100 0.099 0.000 0.669 27 G HN 0.542 nan 8.290 nan 0.000 0.519 28 W N 1.418 122.713 121.300 -0.008 0.000 2.303 28 W HA 0.481 5.140 4.660 -0.000 0.000 0.318 28 W C 0.381 176.891 176.519 -0.016 0.000 1.362 28 W CA 0.138 57.476 57.345 -0.012 0.000 1.234 28 W CB 0.698 30.147 29.460 -0.018 0.000 1.248 28 W HN 0.195 nan 8.180 nan 0.000 0.546 29 E N 3.227 123.178 120.200 -0.415 0.000 2.431 29 E HA 0.083 4.432 4.350 -0.000 0.000 0.200 29 E C 1.298 177.719 176.600 -0.299 0.000 0.995 29 E CA 0.078 56.319 56.400 -0.266 0.000 0.915 29 E CB 0.351 29.911 29.700 -0.234 0.000 0.930 29 E HN 0.579 nan 8.360 nan 0.000 0.496 30 G N 1.440 109.823 108.800 -0.694 0.000 2.583 30 G HA2 0.023 3.983 3.960 -0.000 0.000 0.275 30 G HA3 0.023 3.983 3.960 -0.000 0.000 0.275 30 G C 0.315 175.348 174.900 0.221 0.000 1.342 30 G CA -0.459 44.499 45.100 -0.236 0.000 1.030 30 G HN 0.012 nan 8.290 nan 0.000 0.520 31 N N -0.574 118.284 118.700 0.264 0.000 2.518 31 N HA 0.326 5.066 4.740 -0.000 0.000 0.283 31 N C -0.618 175.042 175.510 0.249 0.000 1.119 31 N CA 0.045 53.223 53.050 0.213 0.000 0.983 31 N CB 1.892 40.451 38.487 0.121 0.000 1.139 31 N HN 0.228 nan 8.380 nan 0.000 0.465 32 I N 1.729 122.370 120.570 0.118 0.000 2.418 32 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 32 I C 0.179 176.288 176.117 -0.013 0.000 1.008 32 I CA -0.530 60.772 61.300 0.003 0.000 1.104 32 I CB 1.759 39.700 38.000 -0.097 0.000 1.264 32 I HN 0.160 nan 8.210 nan 0.000 0.438 33 R N 6.421 126.911 120.500 -0.016 0.000 2.360 33 R HA 0.598 4.937 4.340 -0.000 0.000 0.318 33 R C -1.246 175.037 176.300 -0.027 0.000 0.950 33 R CA -0.816 55.279 56.100 -0.010 0.000 0.837 33 R CB 1.915 32.222 30.300 0.011 0.000 1.165 33 R HN 0.560 nan 8.270 nan 0.000 0.458 34 L N 4.370 125.582 121.223 -0.019 0.000 2.264 34 L HA 0.463 4.803 4.340 -0.000 0.000 0.289 34 L C -0.695 176.162 176.870 -0.022 0.000 1.044 34 L CA -0.775 54.055 54.840 -0.016 0.000 0.807 34 L CB 1.782 43.856 42.059 0.026 0.000 1.192 34 L HN 0.271 nan 8.230 nan 0.000 0.425 35 V N 2.858 122.756 119.914 -0.028 0.000 2.483 35 V HA 0.785 4.905 4.120 -0.000 0.000 0.297 35 V C 0.200 176.275 176.094 -0.031 0.000 1.027 35 V CA -0.501 61.782 62.300 -0.028 0.000 0.855 35 V CB 1.625 33.435 31.823 -0.022 0.000 0.995 35 V HN 0.856 nan 8.190 nan 0.000 0.424 36 G N 2.127 110.907 108.800 -0.032 0.000 2.659 36 G HA2 0.550 4.510 3.960 -0.000 0.000 0.296 36 G HA3 0.550 4.510 3.960 -0.000 0.000 0.296 36 G C -0.026 174.858 174.900 -0.027 0.000 1.369 36 G CA -0.300 44.781 45.100 -0.031 0.000 0.937 36 G HN 0.646 nan 8.290 nan 0.000 0.485 37 D N 0.182 120.568 120.400 -0.023 0.000 2.317 37 D HA 0.147 4.787 4.640 -0.000 0.000 0.211 37 D C 1.405 177.697 176.300 -0.013 0.000 0.966 37 D CA 0.552 54.542 54.000 -0.018 0.000 0.876 37 D CB -0.056 40.734 40.800 -0.016 0.000 0.927 37 D HN 0.556 nan 8.370 nan 0.000 0.519 38 A N 0.039 122.851 122.820 -0.013 0.000 2.425 38 A HA 0.381 4.701 4.320 -0.000 0.000 0.249 38 A C 1.218 178.797 177.584 -0.008 0.000 1.084 38 A CA -0.063 51.974 52.037 -0.000 0.000 0.781 38 A CB 0.552 19.557 19.000 0.008 0.000 1.019 38 A HN 0.113 nan 8.150 nan 0.000 0.490 39 T N 1.013 115.567 114.554 -0.000 0.000 3.010 39 T HA 0.082 4.432 4.350 -0.000 0.000 0.252 39 T C 1.134 175.824 174.700 -0.017 0.000 1.047 39 T CA 0.879 62.971 62.100 -0.013 0.000 1.140 39 T CB -0.583 68.281 68.868 -0.007 0.000 0.885 39 T HN 0.946 nan 8.240 nan 0.000 0.464 40 V N 1.035 120.957 119.914 0.013 0.000 3.332 40 V HA 0.250 4.370 4.120 -0.000 0.000 0.305 40 V C 0.410 176.504 176.094 0.001 0.000 1.114 40 V CA -1.095 61.220 62.300 0.025 0.000 1.194 40 V CB -0.117 31.754 31.823 0.080 0.000 1.027 40 V HN 0.265 nan 8.190 nan 0.000 0.492 41 I N 3.323 123.872 120.570 -0.035 0.000 2.618 41 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 41 I C -1.933 174.195 176.117 0.018 0.000 1.146 41 I CA -1.343 59.873 61.300 -0.141 0.000 1.425 41 I CB 0.409 38.167 38.000 -0.403 0.000 1.383 41 I HN 0.560 nan 8.210 nan 0.000 0.562 42 P HA -0.069 nan 4.420 nan 0.000 0.261 42 P C -0.961 176.372 177.300 0.055 0.000 1.165 42 P CA 0.784 63.890 63.100 0.009 0.000 0.759 42 P CB 0.189 31.930 31.700 0.069 0.000 0.772 43 H N 0.984 120.041 119.070 -0.021 0.000 2.985 43 H HA 0.384 4.940 4.556 -0.000 0.000 0.360 43 H C -0.397 174.872 175.328 -0.097 0.000 1.221 43 H CA -0.854 55.174 56.048 -0.033 0.000 1.121 43 H CB 0.812 30.592 29.762 0.029 0.000 1.854 43 H HN 0.412 nan 8.280 nan 0.000 0.551 44 H N 0.883 120.010 119.070 0.094 0.000 2.771 44 H HA 0.013 4.569 4.556 -0.000 0.000 0.364 44 H C 0.452 175.835 175.328 0.091 0.000 1.133 44 H CA -0.056 56.020 56.048 0.047 0.000 1.423 44 H CB 1.834 31.640 29.762 0.073 0.000 1.425 44 H HN 0.339 nan 8.280 nan 0.000 0.606 45 L N 3.562 124.876 121.223 0.152 0.000 2.362 45 L HA 0.105 4.445 4.340 -0.000 0.000 0.204 45 L C -0.735 176.187 176.870 0.088 0.000 1.060 45 L CA 0.221 55.122 54.840 0.101 0.000 0.827 45 L CB -1.301 40.761 42.059 0.004 0.000 1.027 45 L HN 0.438 nan 8.230 nan 0.000 0.474 46 P HA -0.161 nan 4.420 nan 0.000 0.216 46 P C -1.434 175.920 177.300 0.089 0.000 1.154 46 P CA 1.833 64.954 63.100 0.036 0.000 0.865 46 P CB -0.909 30.854 31.700 0.104 0.000 0.789 47 P HA -0.075 nan 4.420 nan 0.000 0.222 47 P C 1.171 178.571 177.300 0.167 0.000 1.147 47 P CA 0.993 64.177 63.100 0.139 0.000 0.790 47 P CB -0.540 31.236 31.700 0.126 0.000 0.780 48 L N -0.938 120.371 121.223 0.143 0.000 2.456 48 L HA -0.074 4.265 4.340 -0.000 0.000 0.224 48 L C 1.491 178.424 176.870 0.104 0.000 1.148 48 L CA 1.573 56.508 54.840 0.157 0.000 0.825 48 L CB -0.786 41.348 42.059 0.126 0.000 0.937 48 L HN 0.148 nan 8.230 nan 0.000 0.450 49 S N -2.948 112.793 115.700 0.067 0.000 2.730 49 S HA 0.266 4.736 4.470 -0.000 0.000 0.244 49 S C 0.610 175.228 174.600 0.030 0.000 1.022 49 S CA -0.709 57.510 58.200 0.031 0.000 1.014 49 S CB 0.604 63.806 63.200 0.004 0.000 0.963 49 S HN 0.291 nan 8.310 nan 0.000 0.540 50 K N 0.874 121.310 120.400 0.060 0.000 3.794 50 K HA 0.698 5.018 4.320 -0.000 0.000 0.302 50 K C 1.791 178.429 176.600 0.063 0.000 0.990 50 K CA -0.075 56.248 56.287 0.059 0.000 1.564 50 K CB -0.491 32.062 32.500 0.088 0.000 3.353 50 K HN 0.028 nan 8.250 nan 0.000 1.009 51 A N 0.559 123.428 122.820 0.082 0.000 1.933 51 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 51 A C 2.064 179.699 177.584 0.086 0.000 1.175 51 A CA 1.646 53.726 52.037 0.071 0.000 0.628 51 A CB -0.741 18.303 19.000 0.074 0.000 0.814 51 A HN 0.557 nan 8.150 nan 0.000 0.444 52 Y N -0.499 119.806 120.300 0.008 0.000 2.220 52 Y HA -0.055 4.495 4.550 -0.000 0.000 0.291 52 Y C 1.986 177.883 175.900 -0.006 0.000 1.129 52 Y CA 1.474 59.573 58.100 -0.001 0.000 1.161 52 Y CB -0.281 38.181 38.460 0.003 0.000 0.997 52 Y HN 0.244 nan 8.280 nan 0.000 0.522 53 L N 0.382 121.632 121.223 0.045 0.000 2.191 53 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 53 L C 2.165 178.986 176.870 -0.083 0.000 1.103 53 L CA 1.987 56.809 54.840 -0.030 0.000 0.769 53 L CB -0.940 41.131 42.059 0.019 0.000 0.908 53 L HN 0.232 nan 8.230 nan 0.000 0.438 54 A N -1.068 121.716 122.820 -0.060 0.000 2.206 54 A HA 0.344 4.664 4.320 -0.000 0.000 0.211 54 A C 1.721 179.247 177.584 -0.097 0.000 1.158 54 A CA 0.626 52.627 52.037 -0.059 0.000 0.761 54 A CB -0.921 18.065 19.000 -0.024 0.000 0.801 54 A HN 0.782 nan 8.150 nan 0.000 0.473 55 G N -0.499 108.193 108.800 -0.181 0.000 2.160 55 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.251 55 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.251 55 G C 0.623 175.444 174.900 -0.132 0.000 1.008 55 G CA 0.809 45.778 45.100 -0.220 0.000 0.724 55 G HN 0.571 nan 8.290 nan 0.000 0.514 56 K N -0.483 119.869 120.400 -0.080 0.000 2.358 56 K HA 0.569 4.889 4.320 -0.000 0.000 0.200 56 K C 0.967 177.571 176.600 0.006 0.000 1.030 56 K CA 0.614 56.883 56.287 -0.029 0.000 1.097 56 K CB 0.993 33.486 32.500 -0.011 0.000 0.862 56 K HN 0.593 nan 8.250 nan 0.000 0.534 57 A N 1.294 124.139 122.820 0.040 0.000 2.374 57 A HA 0.458 4.778 4.320 -0.000 0.000 0.317 57 A C -0.006 177.683 177.584 0.176 0.000 1.094 57 A CA -0.680 51.426 52.037 0.115 0.000 0.765 57 A CB 0.867 19.974 19.000 0.180 0.000 1.268 57 A HN 0.154 nan 8.150 nan 0.000 0.438 58 T N -0.984 113.640 114.554 0.117 0.000 2.849 58 T HA 0.510 4.860 4.350 -0.000 0.000 0.284 58 T C 1.264 176.040 174.700 0.126 0.000 1.004 58 T CA 0.111 62.275 62.100 0.107 0.000 1.021 58 T CB 1.275 70.150 68.868 0.012 0.000 1.013 58 T HN 1.360 nan 8.240 nan 0.000 0.527 59 A N 0.237 123.120 122.820 0.104 0.000 1.969 59 A HA -0.031 4.288 4.320 -0.000 0.000 0.218 59 A C 2.268 179.614 177.584 -0.397 0.000 1.169 59 A CA 1.660 53.646 52.037 -0.085 0.000 0.635 59 A CB -1.062 17.940 19.000 0.003 0.000 0.810 59 A HN 1.046 nan 8.150 nan 0.000 0.445 60 E N 0.625 120.585 120.200 -0.400 0.000 2.085 60 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 60 E C 2.067 178.316 176.600 -0.584 0.000 0.994 60 E CA 1.595 57.570 56.400 -0.709 0.000 0.801 60 E CB -0.140 29.382 29.700 -0.297 0.000 0.743 60 E HN 0.733 nan 8.360 nan 0.000 0.453 61 S N 0.151 115.695 115.700 -0.261 0.000 2.469 61 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 61 S C 1.913 176.474 174.600 -0.065 0.000 0.998 61 S CA 0.608 58.737 58.200 -0.119 0.000 0.957 61 S CB -0.349 62.825 63.200 -0.044 0.000 0.764 61 S HN 0.313 nan 8.310 nan 0.000 0.514 62 L N -0.357 120.770 121.223 -0.161 0.000 2.313 62 L HA 0.149 4.489 4.340 -0.000 0.000 0.214 62 L C 0.583 177.588 176.870 0.226 0.000 1.119 62 L CA 0.080 54.928 54.840 0.013 0.000 0.809 62 L CB -0.615 41.325 42.059 -0.199 0.000 0.933 62 L HN 0.343 nan 8.230 nan 0.000 0.449 63 Y N 0.698 121.049 120.300 0.086 0.000 2.810 63 Y HA -0.142 4.408 4.550 -0.000 0.000 0.332 63 Y C 1.581 177.459 175.900 -0.038 0.000 1.243 63 Y CA -0.810 57.318 58.100 0.047 0.000 1.537 63 Y CB 0.550 39.041 38.460 0.052 0.000 1.265 63 Y HN 0.078 nan 8.280 nan 0.000 0.572 64 L N 2.964 124.172 121.223 -0.025 0.000 2.056 64 L HA -0.091 4.249 4.340 -0.000 0.000 0.207 64 L C 0.721 177.494 176.870 -0.161 0.000 1.078 64 L CA 1.331 55.994 54.840 -0.295 0.000 0.749 64 L CB -0.239 41.650 42.059 -0.285 0.000 0.901 64 L HN 0.598 nan 8.230 nan 0.000 0.433 65 R N -0.602 119.839 120.500 -0.099 0.000 2.698 65 R HA 0.290 4.630 4.340 -0.000 0.000 0.275 65 R C -0.502 175.818 176.300 0.033 0.000 1.001 65 R CA -0.459 55.520 56.100 -0.201 0.000 0.896 65 R CB 1.306 31.186 30.300 -0.701 0.000 1.218 65 R HN -0.022 nan 8.270 nan 0.000 0.462 66 T N -1.076 113.510 114.554 0.052 0.000 2.903 66 T HA 0.108 4.458 4.350 -0.000 0.000 0.314 66 T C -1.678 173.113 174.700 0.152 0.000 1.078 66 T CA -0.929 61.250 62.100 0.132 0.000 1.114 66 T CB 0.595 69.534 68.868 0.118 0.000 0.987 66 T HN 0.197 nan 8.240 nan 0.000 0.548 67 P HA -0.073 nan 4.420 nan 0.000 0.216 67 P C 1.160 178.586 177.300 0.211 0.000 1.150 67 P CA 0.923 64.088 63.100 0.108 0.000 0.837 67 P CB 0.037 31.709 31.700 -0.048 0.000 0.786 68 D N -0.767 119.721 120.400 0.146 0.000 2.178 68 D HA -0.090 4.549 4.640 -0.000 0.000 0.202 68 D C 1.971 178.368 176.300 0.162 0.000 0.974 68 D CA 1.244 55.322 54.000 0.131 0.000 0.841 68 D CB -0.540 40.313 40.800 0.089 0.000 0.953 68 D HN 0.066 nan 8.370 nan 0.000 0.478 69 A N 0.545 123.463 122.820 0.165 0.000 1.917 69 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 69 A C 1.960 179.673 177.584 0.216 0.000 1.182 69 A CA 1.285 53.411 52.037 0.149 0.000 0.633 69 A CB -1.059 17.945 19.000 0.007 0.000 0.819 69 A HN 0.241 nan 8.150 nan 0.000 0.448 70 Y N -0.172 120.272 120.300 0.241 0.000 2.145 70 Y HA -0.103 4.447 4.550 -0.000 0.000 0.286 70 Y C 2.955 178.873 175.900 0.029 0.000 1.145 70 Y CA 1.045 59.219 58.100 0.124 0.000 1.148 70 Y CB -0.753 37.754 38.460 0.079 0.000 0.981 70 Y HN 0.323 nan 8.280 nan 0.000 0.507 71 A N 0.200 123.144 122.820 0.206 0.000 1.877 71 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 71 A C 2.469 180.098 177.584 0.075 0.000 1.186 71 A CA 2.017 54.120 52.037 0.109 0.000 0.620 71 A CB -1.365 17.689 19.000 0.090 0.000 0.822 71 A HN 0.415 nan 8.150 nan 0.000 0.443 72 A N -1.343 121.528 122.820 0.084 0.000 1.883 72 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 72 A C 1.953 179.565 177.584 0.047 0.000 1.186 72 A CA 1.685 53.760 52.037 0.064 0.000 0.624 72 A CB -0.415 18.629 19.000 0.074 0.000 0.822 72 A HN 0.465 nan 8.150 nan 0.000 0.444 73 Q N -0.380 119.443 119.800 0.038 0.000 2.415 73 Q HA 0.009 4.349 4.340 -0.000 0.000 0.206 73 Q C -0.031 175.936 176.000 -0.056 0.000 0.946 73 Q CA 0.069 55.861 55.803 -0.019 0.000 0.951 73 Q CB -0.293 28.393 28.738 -0.086 0.000 1.026 73 Q HN 0.692 nan 8.270 nan 0.000 0.510 74 N N 0.727 119.418 118.700 -0.016 0.000 2.714 74 N HA -0.201 4.539 4.740 -0.000 0.000 0.253 74 N C -1.177 174.313 175.510 -0.033 0.000 1.024 74 N CA 0.423 53.471 53.050 -0.004 0.000 0.726 74 N CB -1.024 37.469 38.487 0.011 0.000 0.908 74 N HN 0.300 nan 8.380 nan 0.000 0.542 75 I N 1.939 122.473 120.570 -0.061 0.000 2.355 75 I HA 0.128 4.298 4.170 -0.000 0.000 0.288 75 I C 0.446 176.582 176.117 0.033 0.000 0.999 75 I CA -0.555 60.694 61.300 -0.085 0.000 1.163 75 I CB 1.493 39.312 38.000 -0.302 0.000 1.316 75 I HN -0.021 nan 8.210 nan 0.000 0.454 76 Q N 5.703 125.513 119.800 0.016 0.000 2.295 76 Q HA 0.326 4.666 4.340 -0.000 0.000 0.259 76 Q C -0.859 175.146 176.000 0.007 0.000 0.976 76 Q CA -0.526 55.287 55.803 0.017 0.000 0.923 76 Q CB 1.665 30.409 28.738 0.009 0.000 1.185 76 Q HN 0.373 nan 8.270 nan 0.000 0.410 77 L N 4.506 125.713 121.223 -0.028 0.000 2.287 77 L HA 0.369 4.709 4.340 -0.000 0.000 0.287 77 L C -1.335 175.481 176.870 -0.089 0.000 1.022 77 L CA -0.187 54.597 54.840 -0.093 0.000 0.814 77 L CB 1.038 42.916 42.059 -0.301 0.000 1.217 77 L HN 0.634 nan 8.230 nan 0.000 0.420 78 L N 5.943 127.127 121.223 -0.064 0.000 2.387 78 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 78 L C 0.420 177.257 176.870 -0.054 0.000 1.050 78 L CA -0.403 54.407 54.840 -0.051 0.000 0.922 78 L CB 0.671 42.712 42.059 -0.029 0.000 1.280 78 L HN 0.814 nan 8.230 nan 0.000 0.449 79 G N 0.868 109.627 108.800 -0.067 0.000 2.557 79 G HA2 0.421 4.381 3.960 -0.000 0.000 0.292 79 G HA3 0.421 4.381 3.960 -0.000 0.000 0.292 79 G C 0.795 175.672 174.900 -0.039 0.000 1.237 79 G CA 0.101 45.166 45.100 -0.058 0.000 0.978 79 G HN 0.850 nan 8.290 nan 0.000 0.498 80 G N -1.446 107.336 108.800 -0.030 0.000 2.296 80 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.282 80 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.282 80 G C 0.336 175.225 174.900 -0.018 0.000 1.014 80 G CA 0.893 45.980 45.100 -0.020 0.000 0.812 80 G HN 1.068 nan 8.290 nan 0.000 0.508 81 T N -0.102 114.440 114.554 -0.020 0.000 2.840 81 T HA 0.519 4.869 4.350 -0.000 0.000 0.287 81 T C -0.199 174.491 174.700 -0.015 0.000 0.991 81 T CA -0.461 61.630 62.100 -0.016 0.000 0.964 81 T CB 1.989 70.847 68.868 -0.016 0.000 0.954 81 T HN 0.405 nan 8.240 nan 0.000 0.438 82 Q N 3.064 122.856 119.800 -0.012 0.000 2.257 82 Q HA 0.491 4.831 4.340 -0.000 0.000 0.255 82 Q C -0.986 175.008 176.000 -0.009 0.000 0.920 82 Q CA -0.603 55.193 55.803 -0.012 0.000 0.927 82 Q CB 0.973 29.704 28.738 -0.011 0.000 1.229 82 Q HN 0.451 nan 8.270 nan 0.000 0.433 83 V N 4.421 124.329 119.914 -0.011 0.000 2.408 83 V HA 0.083 4.203 4.120 -0.000 0.000 0.267 83 V C 1.207 177.298 176.094 -0.006 0.000 1.047 83 V CA 0.266 62.562 62.300 -0.007 0.000 0.937 83 V CB 0.940 32.755 31.823 -0.012 0.000 0.999 83 V HN 1.042 nan 8.190 nan 0.000 0.472 84 T N 1.318 115.872 114.554 -0.000 0.000 3.037 84 T HA 0.564 4.913 4.350 -0.000 0.000 0.251 84 T C 0.467 175.169 174.700 0.003 0.000 1.079 84 T CA 0.530 62.630 62.100 -0.000 0.000 1.067 84 T CB 0.464 69.332 68.868 0.001 0.000 0.948 84 T HN 0.995 nan 8.240 nan 0.000 0.496 85 A N 0.374 123.200 122.820 0.011 0.000 2.608 85 A HA 0.708 5.028 4.320 -0.000 0.000 0.292 85 A C -1.824 175.780 177.584 0.034 0.000 1.066 85 A CA -1.057 50.991 52.037 0.017 0.000 0.676 85 A CB 0.865 19.875 19.000 0.017 0.000 1.277 85 A HN 0.347 nan 8.150 nan 0.000 0.413 86 I N 0.905 121.501 120.570 0.043 0.000 2.465 86 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 86 I C -0.774 175.397 176.117 0.091 0.000 1.014 86 I CA -0.730 60.620 61.300 0.083 0.000 1.093 86 I CB 2.304 40.341 38.000 0.063 0.000 1.267 86 I HN 0.589 nan 8.210 nan 0.000 0.431 87 N N 4.911 123.684 118.700 0.122 0.000 2.800 87 N HA 0.317 5.057 4.740 -0.000 0.000 0.240 87 N C 0.672 176.235 175.510 0.087 0.000 1.096 87 N CA -0.501 52.593 53.050 0.075 0.000 0.877 87 N CB 0.898 39.407 38.487 0.036 0.000 1.138 87 N HN 0.399 nan 8.380 nan 0.000 0.509 88 R N 0.419 120.982 120.500 0.105 0.000 2.117 88 R HA -0.180 4.160 4.340 -0.000 0.000 0.243 88 R C 1.282 177.601 176.300 0.032 0.000 1.143 88 R CA 1.730 57.901 56.100 0.119 0.000 0.968 88 R CB -0.152 30.206 30.300 0.097 0.000 0.863 88 R HN 0.589 nan 8.270 nan 0.000 0.444 89 D N 0.906 121.313 120.400 0.011 0.000 2.088 89 D HA -0.217 4.423 4.640 -0.000 0.000 0.191 89 D C 1.618 177.888 176.300 -0.050 0.000 0.992 89 D CA 1.460 55.452 54.000 -0.013 0.000 0.831 89 D CB -0.502 40.294 40.800 -0.007 0.000 0.973 89 D HN 0.097 nan 8.370 nan 0.000 0.447 90 R N -0.427 120.036 120.500 -0.062 0.000 2.275 90 R HA 0.159 4.499 4.340 -0.000 0.000 0.199 90 R C 0.256 176.433 176.300 -0.204 0.000 0.989 90 R CA 0.196 56.238 56.100 -0.098 0.000 1.016 90 R CB -0.306 29.953 30.300 -0.068 0.000 0.918 90 R HN 0.267 nan 8.270 nan 0.000 0.473 91 Q N 0.470 120.095 119.800 -0.291 0.000 2.447 91 Q HA -0.209 4.131 4.340 -0.000 0.000 0.316 91 Q C -1.160 174.320 176.000 -0.867 0.000 1.448 91 Q CA 0.584 55.891 55.803 -0.827 0.000 0.804 91 Q CB -1.217 27.053 28.738 -0.780 0.000 1.107 91 Q HN 0.431 nan 8.270 nan 0.000 0.373 92 Q N -0.546 119.096 119.800 -0.264 0.000 2.456 92 Q HA 0.734 5.074 4.340 -0.000 0.000 0.284 92 Q C -0.709 175.446 176.000 0.257 0.000 1.061 92 Q CA -0.856 54.966 55.803 0.033 0.000 0.799 92 Q CB 2.666 31.399 28.738 -0.008 0.000 1.445 92 Q HN 0.199 nan 8.270 nan 0.000 0.411 93 V N -1.184 118.866 119.914 0.227 0.000 2.513 93 V HA 0.613 4.733 4.120 -0.000 0.000 0.299 93 V C -0.502 175.639 176.094 0.077 0.000 1.035 93 V CA -0.917 61.470 62.300 0.144 0.000 0.889 93 V CB 1.264 33.146 31.823 0.098 0.000 0.988 93 V HN 0.586 nan 8.190 nan 0.000 0.440 94 I N 5.272 125.873 120.570 0.052 0.000 2.331 94 I HA 0.458 4.628 4.170 -0.000 0.000 0.292 94 I C 0.206 176.335 176.117 0.020 0.000 0.998 94 I CA -0.527 60.791 61.300 0.031 0.000 1.267 94 I CB 1.261 39.275 38.000 0.024 0.000 1.386 94 I HN 0.596 nan 8.210 nan 0.000 0.476 95 L N 4.488 125.720 121.223 0.015 0.000 2.421 95 L HA 0.276 4.616 4.340 -0.000 0.000 0.263 95 L C 1.691 178.563 176.870 0.004 0.000 1.122 95 L CA -0.373 54.471 54.840 0.007 0.000 0.804 95 L CB 1.189 43.252 42.059 0.006 0.000 1.150 95 L HN 0.733 nan 8.230 nan 0.000 0.457 96 S N -0.626 115.074 115.700 0.000 0.000 2.440 96 S HA -0.191 4.279 4.470 -0.000 0.000 0.238 96 S C 1.114 175.713 174.600 -0.000 0.000 1.010 96 S CA 1.156 59.355 58.200 -0.001 0.000 0.972 96 S CB -0.417 62.781 63.200 -0.003 0.000 0.774 96 S HN 0.856 nan 8.310 nan 0.000 0.501 97 D N 0.526 120.926 120.400 -0.000 0.000 2.349 97 D HA 0.177 4.817 4.640 -0.000 0.000 0.224 97 D C 1.456 177.757 176.300 0.001 0.000 1.029 97 D CA 0.743 54.742 54.000 -0.000 0.000 0.879 97 D CB -0.502 40.298 40.800 -0.001 0.000 0.906 97 D HN 0.613 nan 8.370 nan 0.000 0.528 98 G N 0.978 109.780 108.800 0.003 0.000 2.217 98 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.246 98 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.246 98 G C 0.405 175.308 174.900 0.006 0.000 0.990 98 G CA 0.123 45.225 45.100 0.004 0.000 0.627 98 G HN 0.619 nan 8.290 nan 0.000 0.522 99 R N 1.080 121.584 120.500 0.006 0.000 2.643 99 R HA 0.566 4.906 4.340 -0.000 0.000 0.270 99 R C 0.193 176.501 176.300 0.013 0.000 1.061 99 R CA 0.587 56.692 56.100 0.008 0.000 1.107 99 R CB 0.344 30.648 30.300 0.007 0.000 0.999 99 R HN 0.815 nan 8.270 nan 0.000 0.460 100 A N 5.177 128.006 122.820 0.015 0.000 2.371 100 A HA 0.528 4.848 4.320 -0.000 0.000 0.311 100 A C -1.140 176.462 177.584 0.030 0.000 1.068 100 A CA -0.818 51.233 52.037 0.024 0.000 0.744 100 A CB 1.220 20.230 19.000 0.017 0.000 1.239 100 A HN 0.644 nan 8.150 nan 0.000 0.435 101 L N 2.411 123.665 121.223 0.052 0.000 2.322 101 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 101 L C -0.798 176.125 176.870 0.088 0.000 1.014 101 L CA -0.983 53.895 54.840 0.064 0.000 0.815 101 L CB 1.766 43.868 42.059 0.071 0.000 1.247 101 L HN 0.629 nan 8.230 nan 0.000 0.421 102 D N 2.187 122.617 120.400 0.050 0.000 2.304 102 D HA 0.378 5.018 4.640 -0.000 0.000 0.247 102 D C -0.877 175.476 176.300 0.088 0.000 1.089 102 D CA 0.331 54.330 54.000 -0.002 0.000 0.910 102 D CB 1.564 42.344 40.800 -0.033 0.000 1.199 102 D HN 0.336 nan 8.370 nan 0.000 0.426 103 Y N -1.711 118.603 120.300 0.025 0.000 2.562 103 Y HA 0.408 4.958 4.550 -0.000 0.000 0.345 103 Y C -0.243 175.683 175.900 0.044 0.000 1.045 103 Y CA -0.972 57.149 58.100 0.035 0.000 1.028 103 Y CB 1.364 39.837 38.460 0.022 0.000 1.297 103 Y HN 0.073 nan 8.280 nan 0.000 0.463 104 D N 0.959 121.534 120.400 0.292 0.000 2.431 104 D HA 0.129 4.769 4.640 -0.000 0.000 0.227 104 D C -0.197 176.294 176.300 0.318 0.000 1.030 104 D CA 0.727 54.860 54.000 0.220 0.000 0.897 104 D CB 0.494 41.402 40.800 0.180 0.000 1.058 104 D HN 0.393 nan 8.370 nan 0.000 0.500 105 R N 0.491 121.181 120.500 0.317 0.000 2.538 105 R HA 0.456 4.796 4.340 -0.000 0.000 0.292 105 R C -1.365 174.928 176.300 -0.011 0.000 1.008 105 R CA -0.622 55.573 56.100 0.159 0.000 0.896 105 R CB 1.836 32.192 30.300 0.094 0.000 1.187 105 R HN -0.076 nan 8.270 nan 0.000 0.440 106 L N 3.176 124.273 121.223 -0.210 0.000 2.341 106 L HA 0.686 5.026 4.340 -0.000 0.000 0.278 106 L C -1.265 175.455 176.870 -0.250 0.000 1.005 106 L CA -0.684 53.896 54.840 -0.434 0.000 0.818 106 L CB 2.153 43.619 42.059 -0.988 0.000 1.259 106 L HN 0.406 nan 8.230 nan 0.000 0.418 107 V N 6.402 126.191 119.914 -0.208 0.000 2.444 107 V HA 0.407 4.527 4.120 -0.000 0.000 0.294 107 V C -0.213 175.805 176.094 -0.126 0.000 1.022 107 V CA -0.552 61.660 62.300 -0.147 0.000 0.850 107 V CB 1.625 33.365 31.823 -0.138 0.000 0.992 107 V HN 0.569 nan 8.190 nan 0.000 0.426 108 L N 4.687 125.850 121.223 -0.100 0.000 2.270 108 L HA 0.616 4.956 4.340 -0.000 0.000 0.286 108 L C 0.664 177.499 176.870 -0.058 0.000 1.059 108 L CA -0.234 54.559 54.840 -0.078 0.000 0.839 108 L CB 1.152 43.172 42.059 -0.064 0.000 1.221 108 L HN 0.747 nan 8.230 nan 0.000 0.431 109 A N 1.289 124.074 122.820 -0.058 0.000 3.219 109 A HA 0.265 4.585 4.320 -0.000 0.000 0.314 109 A C 1.241 178.798 177.584 -0.046 0.000 1.081 109 A CA -0.273 51.734 52.037 -0.050 0.000 0.995 109 A CB -0.300 18.668 19.000 -0.053 0.000 1.067 109 A HN 0.733 nan 8.150 nan 0.000 0.533 110 T N -3.102 111.427 114.554 -0.041 0.000 3.118 110 T HA 0.368 4.718 4.350 -0.000 0.000 0.260 110 T C 1.466 176.144 174.700 -0.038 0.000 1.139 110 T CA 1.032 63.109 62.100 -0.038 0.000 1.085 110 T CB -0.415 68.432 68.868 -0.034 0.000 0.934 110 T HN 1.810 nan 8.240 nan 0.000 0.518 111 G N 0.918 109.696 108.800 -0.038 0.000 2.614 111 G HA2 0.160 4.120 3.960 -0.000 0.000 0.303 111 G HA3 0.160 4.120 3.960 -0.000 0.000 0.303 111 G C 0.188 175.065 174.900 -0.037 0.000 1.270 111 G CA -0.042 45.034 45.100 -0.040 0.000 0.988 111 G HN 1.438 nan 8.290 nan 0.000 0.551 112 G N -1.230 107.544 108.800 -0.043 0.000 2.727 112 G HA2 0.873 4.833 3.960 -0.000 0.000 0.289 112 G HA3 0.873 4.833 3.960 -0.000 0.000 0.289 112 G C -0.703 174.168 174.900 -0.048 0.000 1.418 112 G CA 0.123 45.197 45.100 -0.043 0.000 0.818 112 G HN 1.387 nan 8.290 nan 0.000 0.486 113 R N -0.686 119.781 120.500 -0.056 0.000 2.807 113 R HA 0.660 5.000 4.340 -0.000 0.000 0.276 113 R C -3.093 173.152 176.300 -0.092 0.000 0.979 113 R CA -1.840 54.217 56.100 -0.072 0.000 0.928 113 R CB 1.954 32.208 30.300 -0.078 0.000 1.191 113 R HN 0.218 nan 8.270 nan 0.000 0.471 114 P HA -0.042 nan 4.420 nan 0.000 0.265 114 P C -0.914 176.261 177.300 -0.208 0.000 1.193 114 P CA -0.135 62.874 63.100 -0.153 0.000 0.765 114 P CB 0.523 32.088 31.700 -0.225 0.000 0.823 115 R N 5.341 125.781 120.500 -0.101 0.000 2.351 115 R HA 0.199 4.539 4.340 -0.000 0.000 0.318 115 R C -2.247 174.017 176.300 -0.061 0.000 1.055 115 R CA -1.583 54.478 56.100 -0.066 0.000 0.968 115 R CB -0.259 30.040 30.300 -0.002 0.000 0.974 115 R HN 0.346 nan 8.270 nan 0.000 0.439 116 P HA -0.064 nan 4.420 nan 0.000 0.268 116 P C -0.997 176.413 177.300 0.183 0.000 1.205 116 P CA -0.311 62.781 63.100 -0.013 0.000 0.771 116 P CB 0.510 32.185 31.700 -0.042 0.000 0.858 117 L N 7.139 128.586 121.223 0.372 0.000 2.278 117 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 117 L C -1.690 175.294 176.870 0.191 0.000 1.072 117 L CA -2.078 52.935 54.840 0.288 0.000 0.819 117 L CB 0.556 42.845 42.059 0.384 0.000 1.176 117 L HN 0.305 nan 8.230 nan 0.000 0.435 118 P HA -0.218 nan 4.420 nan 0.000 0.216 118 P C 1.269 178.620 177.300 0.085 0.000 1.154 118 P CA 1.701 64.850 63.100 0.083 0.000 0.865 118 P CB -0.032 31.703 31.700 0.060 0.000 0.789 119 V N -4.339 115.648 119.914 0.122 0.000 3.630 119 V HA 0.342 4.462 4.120 -0.000 0.000 0.273 119 V C 1.310 177.558 176.094 0.258 0.000 1.248 119 V CA 1.024 63.413 62.300 0.149 0.000 1.170 119 V CB -1.390 30.495 31.823 0.103 0.000 0.899 119 V HN 0.027 nan 8.190 nan 0.000 0.457 120 A N 0.564 123.455 122.820 0.120 0.000 2.637 120 A HA 0.579 4.899 4.320 -0.000 0.000 0.293 120 A C 1.077 178.510 177.584 -0.252 0.000 1.216 120 A CA 0.370 52.266 52.037 -0.236 0.000 0.956 120 A CB -0.330 18.345 19.000 -0.542 0.000 1.174 120 A HN 0.712 nan 8.150 nan 0.000 0.525 121 S N -1.070 114.579 115.700 -0.085 0.000 2.617 121 S HA 0.579 5.049 4.470 -0.000 0.000 0.259 121 S C 1.221 175.765 174.600 -0.094 0.000 1.301 121 S CA 0.286 58.448 58.200 -0.063 0.000 0.984 121 S CB 0.482 63.672 63.200 -0.017 0.000 0.954 121 S HN 2.023 nan 8.310 nan 0.000 0.572 122 G N 1.446 110.208 108.800 -0.064 0.000 2.634 122 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.309 122 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.309 122 G C 1.149 175.995 174.900 -0.090 0.000 1.265 122 G CA 1.220 46.284 45.100 -0.061 0.000 0.998 122 G HN 1.847 nan 8.290 nan 0.000 0.551 123 A N -1.170 121.600 122.820 -0.084 0.000 1.917 123 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 123 A C 2.814 180.299 177.584 -0.165 0.000 1.182 123 A CA 3.844 55.825 52.037 -0.093 0.000 0.633 123 A CB -0.840 18.120 19.000 -0.067 0.000 0.819 123 A HN 1.503 nan 8.150 nan 0.000 0.448 124 V N -0.123 119.635 119.914 -0.259 0.000 2.219 124 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 124 V C 2.865 178.587 176.094 -0.619 0.000 1.053 124 V CA 2.242 64.234 62.300 -0.513 0.000 1.009 124 V CB -1.679 29.695 31.823 -0.748 0.000 0.636 124 V HN 0.617 nan 8.190 nan 0.000 0.445 125 G N 0.089 108.559 108.800 -0.549 0.000 2.450 125 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 125 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 125 G C 1.554 176.431 174.900 -0.038 0.000 1.130 125 G CA 0.711 45.625 45.100 -0.310 0.000 0.760 125 G HN 0.449 nan 8.290 nan 0.000 0.557 126 K N 1.074 121.431 120.400 -0.071 0.000 2.155 126 K HA 0.145 4.465 4.320 -0.000 0.000 0.203 126 K C 1.595 178.195 176.600 0.000 0.000 1.052 126 K CA 0.547 56.826 56.287 -0.014 0.000 0.948 126 K CB -0.750 31.733 32.500 -0.029 0.000 0.728 126 K HN 0.298 nan 8.250 nan 0.000 0.448 127 A N 3.844 126.646 122.820 -0.030 0.000 2.587 127 A HA -0.077 4.243 4.320 -0.000 0.000 0.235 127 A C 1.182 178.791 177.584 0.042 0.000 1.044 127 A CA 0.221 52.255 52.037 -0.004 0.000 0.754 127 A CB -0.018 18.965 19.000 -0.027 0.000 0.968 127 A HN 0.470 nan 8.150 nan 0.000 0.509 128 N N 1.879 120.595 118.700 0.026 0.000 2.512 128 N HA -0.146 4.594 4.740 -0.000 0.000 0.183 128 N C 0.329 175.852 175.510 0.021 0.000 1.073 128 N CA 1.207 54.272 53.050 0.026 0.000 0.911 128 N CB -0.224 38.271 38.487 0.014 0.000 0.964 128 N HN 0.722 nan 8.380 nan 0.000 0.447 129 N N -0.640 118.076 118.700 0.028 0.000 2.273 129 N HA 0.037 4.777 4.740 -0.000 0.000 0.231 129 N C -1.117 174.406 175.510 0.022 0.000 1.134 129 N CA -0.650 52.407 53.050 0.013 0.000 0.856 129 N CB -0.616 37.879 38.487 0.012 0.000 1.068 129 N HN 0.197 nan 8.380 nan 0.000 0.510 130 F N 1.080 120.959 119.950 -0.119 0.000 2.539 130 F HA 0.595 5.122 4.527 -0.000 0.000 0.328 130 F C -0.810 174.886 175.800 -0.174 0.000 1.148 130 F CA -0.682 57.206 58.000 -0.187 0.000 0.940 130 F CB 1.315 40.152 39.000 -0.272 0.000 1.194 130 F HN -0.197 nan 8.300 nan 0.000 0.438 131 R N 4.355 124.452 120.500 -0.671 0.000 2.739 131 R HA 0.348 4.688 4.340 -0.000 0.000 0.271 131 R C -1.758 174.184 176.300 -0.598 0.000 1.010 131 R CA -0.897 54.967 56.100 -0.394 0.000 0.897 131 R CB 2.160 32.365 30.300 -0.159 0.000 1.236 131 R HN 0.672 nan 8.270 nan 0.000 0.466 132 Y N 0.347 120.552 120.300 -0.158 0.000 2.519 132 Y HA 0.515 5.065 4.550 -0.000 0.000 0.324 132 Y C 0.184 176.039 175.900 -0.075 0.000 1.214 132 Y CA -0.879 57.154 58.100 -0.112 0.000 1.260 132 Y CB 1.029 39.471 38.460 -0.031 0.000 1.311 132 Y HN 0.280 nan 8.280 nan 0.000 0.505 133 L N 2.480 123.763 121.223 0.100 0.000 2.388 133 L HA 0.515 4.855 4.340 -0.000 0.000 0.267 133 L C -0.187 176.718 176.870 0.058 0.000 0.995 133 L CA -0.029 54.843 54.840 0.053 0.000 0.864 133 L CB 0.690 42.756 42.059 0.011 0.000 1.216 133 L HN 0.705 nan 8.230 nan 0.000 0.430 134 R N 1.228 121.766 120.500 0.065 0.000 2.851 134 R HA 0.218 4.558 4.340 -0.000 0.000 0.177 134 R C 0.148 176.492 176.300 0.074 0.000 0.888 134 R CA 1.049 57.179 56.100 0.049 0.000 1.326 134 R CB 0.434 30.751 30.300 0.028 0.000 1.668 134 R HN 0.682 nan 8.270 nan 0.000 0.575 135 T N -1.167 113.438 114.554 0.084 0.000 2.944 135 T HA 0.248 4.598 4.350 -0.000 0.000 0.284 135 T C 1.274 176.038 174.700 0.106 0.000 1.010 135 T CA -0.608 61.560 62.100 0.114 0.000 1.025 135 T CB 1.380 70.298 68.868 0.084 0.000 1.079 135 T HN -0.035 nan 8.240 nan 0.000 0.516 136 L N 0.580 121.850 121.223 0.079 0.000 2.083 136 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 136 L C 2.596 179.473 176.870 0.012 0.000 1.083 136 L CA 2.056 56.850 54.840 -0.075 0.000 0.752 136 L CB -1.094 40.756 42.059 -0.349 0.000 0.899 136 L HN 0.990 nan 8.230 nan 0.000 0.433 137 E N -0.790 119.427 120.200 0.029 0.000 2.051 137 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 137 E C 1.679 178.306 176.600 0.046 0.000 0.991 137 E CA 1.537 57.959 56.400 0.038 0.000 0.799 137 E CB -0.062 29.660 29.700 0.037 0.000 0.748 137 E HN 0.555 nan 8.360 nan 0.000 0.449 138 D N 0.369 120.801 120.400 0.053 0.000 2.092 138 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 138 D C 1.881 178.207 176.300 0.042 0.000 0.994 138 D CA 1.543 55.573 54.000 0.049 0.000 0.828 138 D CB -0.453 40.384 40.800 0.062 0.000 0.963 138 D HN 0.323 nan 8.370 nan 0.000 0.450 139 A N 1.177 124.036 122.820 0.065 0.000 1.883 139 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 139 A C 2.079 179.707 177.584 0.072 0.000 1.186 139 A CA 1.660 53.749 52.037 0.086 0.000 0.624 139 A CB -0.555 18.540 19.000 0.159 0.000 0.822 139 A HN 0.251 nan 8.150 nan 0.000 0.444 140 E N -1.108 119.144 120.200 0.087 0.000 2.106 140 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 140 E C 2.101 178.707 176.600 0.011 0.000 0.984 140 E CA 0.977 57.408 56.400 0.051 0.000 0.806 140 E CB -0.417 29.331 29.700 0.079 0.000 0.750 140 E HN 0.712 nan 8.360 nan 0.000 0.458 141 C N 0.895 120.205 119.300 0.016 0.000 2.429 141 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 141 C C 2.561 177.544 174.990 -0.012 0.000 1.262 141 C CA 0.492 59.513 59.018 0.004 0.000 1.733 141 C CB -0.871 26.875 27.740 0.010 0.000 2.010 141 C HN 0.330 nan 8.230 nan 0.000 0.483 142 I N 0.567 121.127 120.570 -0.016 0.000 2.163 142 I HA -0.142 4.027 4.170 -0.000 0.000 0.240 142 I C 2.950 179.047 176.117 -0.034 0.000 1.081 142 I CA 1.707 62.987 61.300 -0.032 0.000 1.353 142 I CB -0.720 37.258 38.000 -0.037 0.000 1.054 142 I HN 0.352 nan 8.210 nan 0.000 0.407 143 R N 1.498 121.976 120.500 -0.038 0.000 2.103 143 R HA -0.201 4.139 4.340 -0.000 0.000 0.242 143 R C 2.332 178.599 176.300 -0.056 0.000 1.142 143 R CA 1.654 57.716 56.100 -0.062 0.000 0.960 143 R CB -0.256 29.977 30.300 -0.113 0.000 0.858 143 R HN 0.319 nan 8.270 nan 0.000 0.439 144 R N 0.048 120.521 120.500 -0.045 0.000 2.159 144 R HA -0.130 4.210 4.340 -0.000 0.000 0.237 144 R C 1.713 177.997 176.300 -0.027 0.000 1.131 144 R CA 1.512 57.590 56.100 -0.036 0.000 0.982 144 R CB -0.047 30.238 30.300 -0.024 0.000 0.868 144 R HN 0.492 nan 8.270 nan 0.000 0.453 145 Q N 0.164 119.949 119.800 -0.026 0.000 2.247 145 Q HA 0.169 4.509 4.340 -0.000 0.000 0.204 145 Q C -0.126 175.863 176.000 -0.019 0.000 0.872 145 Q CA -0.110 55.681 55.803 -0.020 0.000 0.951 145 Q CB 0.647 29.373 28.738 -0.020 0.000 1.099 145 Q HN 0.251 nan 8.270 nan 0.000 0.501 146 L N 2.250 123.458 121.223 -0.024 0.000 2.395 146 L HA 0.287 4.627 4.340 -0.000 0.000 0.268 146 L C -0.439 176.424 176.870 -0.012 0.000 1.223 146 L CA -0.046 54.783 54.840 -0.018 0.000 1.093 146 L CB -0.174 41.870 42.059 -0.026 0.000 1.349 146 L HN 0.121 nan 8.230 nan 0.000 0.427 147 I N 1.787 122.355 120.570 -0.004 0.000 2.377 147 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 147 I C 0.859 176.982 176.117 0.010 0.000 0.987 147 I CA -0.539 60.761 61.300 0.000 0.000 1.185 147 I CB 1.735 39.735 38.000 -0.001 0.000 1.341 147 I HN 0.428 nan 8.210 nan 0.000 0.455 148 A N 4.479 127.305 122.820 0.010 0.000 2.567 148 A HA 0.041 4.361 4.320 -0.000 0.000 0.240 148 A C 0.759 178.357 177.584 0.023 0.000 1.053 148 A CA 0.382 52.430 52.037 0.017 0.000 0.755 148 A CB -0.145 18.862 19.000 0.012 0.000 0.978 148 A HN 0.980 nan 8.150 nan 0.000 0.507 149 D N -0.259 120.164 120.400 0.038 0.000 2.837 149 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 149 D C 0.048 176.374 176.300 0.043 0.000 1.033 149 D CA 1.835 55.862 54.000 0.046 0.000 1.021 149 D CB -1.357 39.460 40.800 0.028 0.000 1.101 149 D HN 0.679 nan 8.370 nan 0.000 0.431 150 N N 0.491 119.212 118.700 0.036 0.000 2.424 150 N HA 0.295 5.035 4.740 -0.000 0.000 0.257 150 N C 0.200 175.739 175.510 0.049 0.000 1.250 150 N CA 0.131 53.196 53.050 0.025 0.000 0.946 150 N CB 0.556 39.052 38.487 0.016 0.000 1.175 150 N HN 0.098 nan 8.380 nan 0.000 0.477 151 R N 0.824 121.339 120.500 0.025 0.000 2.255 151 R HA 0.418 4.758 4.340 -0.000 0.000 0.326 151 R C -0.794 175.543 176.300 0.062 0.000 0.986 151 R CA -0.776 55.353 56.100 0.049 0.000 0.847 151 R CB 0.809 31.076 30.300 -0.055 0.000 1.111 151 R HN 0.343 nan 8.270 nan 0.000 0.452 152 L N 3.287 124.568 121.223 0.096 0.000 2.329 152 L HA 0.534 4.874 4.340 -0.000 0.000 0.279 152 L C -1.183 175.726 176.870 0.066 0.000 1.014 152 L CA -0.596 54.277 54.840 0.055 0.000 0.814 152 L CB 2.124 44.201 42.059 0.030 0.000 1.257 152 L HN 0.323 nan 8.230 nan 0.000 0.424 153 V N 5.589 125.526 119.914 0.040 0.000 2.443 153 V HA 0.464 4.584 4.120 -0.000 0.000 0.293 153 V C -0.530 175.563 176.094 -0.001 0.000 1.021 153 V CA -0.661 61.664 62.300 0.041 0.000 0.848 153 V CB 1.829 33.697 31.823 0.075 0.000 0.998 153 V HN 0.565 nan 8.190 nan 0.000 0.424 154 V N 6.566 126.469 119.914 -0.018 0.000 2.407 154 V HA 0.473 4.593 4.120 -0.000 0.000 0.278 154 V C -0.017 176.055 176.094 -0.037 0.000 1.037 154 V CA -0.349 61.919 62.300 -0.054 0.000 0.900 154 V CB 1.652 33.437 31.823 -0.063 0.000 0.983 154 V HN 0.680 nan 8.190 nan 0.000 0.459 155 I N 4.736 125.281 120.570 -0.043 0.000 2.330 155 I HA 0.725 4.895 4.170 -0.000 0.000 0.286 155 I C 0.611 176.718 176.117 -0.017 0.000 1.025 155 I CA -0.012 61.286 61.300 -0.003 0.000 1.197 155 I CB 1.169 39.205 38.000 0.059 0.000 1.358 155 I HN 0.862 nan 8.210 nan 0.000 0.467 156 G N 3.395 112.179 108.800 -0.026 0.000 2.957 156 G HA2 0.102 4.061 3.960 -0.000 0.000 0.636 156 G HA3 0.102 4.061 3.960 -0.000 0.000 0.636 156 G C -0.099 174.758 174.900 -0.072 0.000 1.401 156 G CA -0.525 44.554 45.100 -0.035 0.000 0.941 156 G HN 0.839 nan 8.290 nan 0.000 0.610 157 G N 0.438 109.185 108.800 -0.088 0.000 3.820 157 G HA2 0.645 4.605 3.960 -0.000 0.000 0.293 157 G HA3 0.645 4.605 3.960 -0.000 0.000 0.293 157 G C 0.897 175.680 174.900 -0.195 0.000 1.152 157 G CA 0.937 45.953 45.100 -0.140 0.000 0.921 157 G HN 1.239 nan 8.290 nan 0.000 0.544 158 G N -0.685 108.016 108.800 -0.164 0.000 2.588 158 G HA2 0.317 4.277 3.960 -0.000 0.000 0.278 158 G HA3 0.317 4.277 3.960 -0.000 0.000 0.278 158 G C 0.629 175.389 174.900 -0.234 0.000 1.307 158 G CA -0.567 44.412 45.100 -0.202 0.000 1.016 158 G HN 0.194 nan 8.290 nan 0.000 0.503 159 Y N -0.551 119.672 120.300 -0.127 0.000 2.165 159 Y HA -0.150 4.400 4.550 -0.000 0.000 0.286 159 Y C 2.834 178.673 175.900 -0.101 0.000 1.155 159 Y CA 0.852 58.884 58.100 -0.112 0.000 1.164 159 Y CB -0.037 38.388 38.460 -0.058 0.000 0.978 159 Y HN 0.160 nan 8.280 nan 0.000 0.513 160 I N -0.602 119.994 120.570 0.042 0.000 2.252 160 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 160 I C 2.603 178.698 176.117 -0.036 0.000 1.102 160 I CA 1.508 62.804 61.300 -0.008 0.000 1.385 160 I CB -1.912 36.072 38.000 -0.026 0.000 1.064 160 I HN 0.248 nan 8.210 nan 0.000 0.414 161 G N 1.247 110.008 108.800 -0.064 0.000 2.418 161 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 161 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 161 G C 1.850 176.682 174.900 -0.113 0.000 1.158 161 G CA 0.435 45.481 45.100 -0.090 0.000 0.771 161 G HN 0.328 nan 8.290 nan 0.000 0.545 162 L N -0.046 121.090 121.223 -0.145 0.000 2.093 162 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 162 L C 2.853 179.714 176.870 -0.016 0.000 1.085 162 L CA 1.145 55.875 54.840 -0.183 0.000 0.755 162 L CB -0.385 41.559 42.059 -0.192 0.000 0.904 162 L HN 0.275 nan 8.230 nan 0.000 0.435 163 E N -0.419 119.780 120.200 -0.002 0.000 2.106 163 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 163 E C 2.301 178.878 176.600 -0.038 0.000 0.984 163 E CA 0.992 57.386 56.400 -0.011 0.000 0.806 163 E CB 0.037 29.741 29.700 0.007 0.000 0.750 163 E HN 0.255 nan 8.360 nan 0.000 0.458 164 V N 1.290 121.182 119.914 -0.037 0.000 2.307 164 V HA -0.264 3.856 4.120 -0.000 0.000 0.245 164 V C 2.322 178.397 176.094 -0.032 0.000 1.045 164 V CA 1.849 64.126 62.300 -0.038 0.000 1.024 164 V CB -0.630 31.164 31.823 -0.048 0.000 0.651 164 V HN 0.311 nan 8.190 nan 0.000 0.449 165 A N 0.018 122.821 122.820 -0.029 0.000 1.883 165 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 165 A C 2.429 180.048 177.584 0.058 0.000 1.186 165 A CA 2.262 54.308 52.037 0.015 0.000 0.624 165 A CB -0.867 18.129 19.000 -0.006 0.000 0.822 165 A HN 0.583 nan 8.150 nan 0.000 0.444 166 A N -1.103 121.704 122.820 -0.023 0.000 1.902 166 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 166 A C 2.311 179.806 177.584 -0.148 0.000 1.181 166 A CA 2.360 54.192 52.037 -0.341 0.000 0.623 166 A CB -1.266 17.190 19.000 -0.907 0.000 0.818 166 A HN 0.445 nan 8.150 nan 0.000 0.443 167 T N 0.130 114.628 114.554 -0.094 0.000 2.777 167 T HA 0.046 4.396 4.350 -0.000 0.000 0.266 167 T C 2.214 176.910 174.700 -0.006 0.000 1.040 167 T CA 1.425 63.500 62.100 -0.042 0.000 1.141 167 T CB -0.388 68.459 68.868 -0.034 0.000 0.868 167 T HN 0.587 nan 8.240 nan 0.000 0.444 168 A N 1.520 124.341 122.820 0.002 0.000 1.898 168 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 168 A C 2.238 179.845 177.584 0.038 0.000 1.181 168 A CA 0.909 52.955 52.037 0.014 0.000 0.620 168 A CB -0.634 18.373 19.000 0.012 0.000 0.819 168 A HN 0.356 nan 8.150 nan 0.000 0.442 169 I N -0.049 120.563 120.570 0.071 0.000 2.208 169 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 169 I C 2.357 178.526 176.117 0.086 0.000 1.097 169 I CA 2.040 63.399 61.300 0.099 0.000 1.363 169 I CB -0.871 37.253 38.000 0.206 0.000 1.051 169 I HN 0.331 nan 8.210 nan 0.000 0.413 170 K N 1.676 122.131 120.400 0.091 0.000 2.147 170 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 170 K C 1.743 178.364 176.600 0.035 0.000 1.049 170 K CA 1.450 57.778 56.287 0.068 0.000 0.936 170 K CB -0.259 32.277 32.500 0.059 0.000 0.722 170 K HN 0.231 nan 8.250 nan 0.000 0.446 171 A N 0.440 123.275 122.820 0.026 0.000 2.259 171 A HA 0.079 4.399 4.320 -0.000 0.000 0.208 171 A C -0.039 177.555 177.584 0.018 0.000 1.201 171 A CA 0.427 52.472 52.037 0.013 0.000 0.824 171 A CB -0.437 18.565 19.000 0.003 0.000 0.838 171 A HN 0.533 nan 8.150 nan 0.000 0.485 172 N N -1.309 117.406 118.700 0.026 0.000 2.741 172 N HA -0.145 4.595 4.740 -0.000 0.000 0.250 172 N C -0.128 175.402 175.510 0.034 0.000 1.115 172 N CA 1.229 54.294 53.050 0.026 0.000 0.724 172 N CB -1.503 36.996 38.487 0.020 0.000 1.090 172 N HN 0.616 nan 8.380 nan 0.000 0.558 173 M N -0.048 119.575 119.600 0.039 0.000 2.197 173 M HA 0.129 4.609 4.480 -0.000 0.000 0.305 173 M C 0.985 177.333 176.300 0.080 0.000 1.162 173 M CA -0.228 55.107 55.300 0.058 0.000 1.099 173 M CB 0.698 33.327 32.600 0.048 0.000 1.430 173 M HN 0.071 nan 8.290 nan 0.000 0.481 174 H N 1.557 120.635 119.070 0.012 0.000 2.652 174 H HA 0.444 5.000 4.556 -0.000 0.000 0.298 174 H C -1.901 173.436 175.328 0.015 0.000 1.076 174 H CA -0.336 55.720 56.048 0.013 0.000 1.360 174 H CB 0.425 30.192 29.762 0.009 0.000 1.421 174 H HN 0.335 nan 8.280 nan 0.000 0.464 175 V N 5.561 125.402 119.914 -0.121 0.000 2.495 175 V HA 0.295 4.415 4.120 -0.000 0.000 0.298 175 V C 0.134 176.198 176.094 -0.051 0.000 1.031 175 V CA -0.692 61.597 62.300 -0.019 0.000 0.871 175 V CB 1.860 33.684 31.823 0.001 0.000 0.988 175 V HN 0.840 nan 8.190 nan 0.000 0.432 176 T N 5.874 120.448 114.554 0.033 0.000 2.848 176 T HA 0.631 4.981 4.350 -0.000 0.000 0.285 176 T C -0.800 173.905 174.700 0.008 0.000 0.995 176 T CA -0.298 61.819 62.100 0.028 0.000 0.970 176 T CB 1.553 70.472 68.868 0.085 0.000 0.976 176 T HN 0.553 nan 8.240 nan 0.000 0.441 177 L N 4.473 125.686 121.223 -0.015 0.000 2.341 177 L HA 0.714 5.054 4.340 -0.000 0.000 0.278 177 L C -1.557 175.295 176.870 -0.030 0.000 1.005 177 L CA -0.935 53.883 54.840 -0.036 0.000 0.818 177 L CB 0.917 42.928 42.059 -0.079 0.000 1.259 177 L HN 0.570 nan 8.230 nan 0.000 0.418 178 L N 4.383 125.591 121.223 -0.025 0.000 2.346 178 L HA 0.638 4.978 4.340 -0.000 0.000 0.276 178 L C -1.022 175.834 176.870 -0.024 0.000 1.006 178 L CA -0.623 54.206 54.840 -0.019 0.000 0.817 178 L CB 1.817 43.871 42.059 -0.007 0.000 1.272 178 L HN 0.552 nan 8.230 nan 0.000 0.421 179 D N 0.264 120.651 120.400 -0.022 0.000 2.934 179 D HA 0.171 4.811 4.640 -0.000 0.000 0.230 179 D C 0.673 176.966 176.300 -0.012 0.000 1.204 179 D CA -0.236 53.751 54.000 -0.023 0.000 0.873 179 D CB 2.600 43.378 40.800 -0.036 0.000 1.645 179 D HN 0.678 nan 8.370 nan 0.000 0.502 180 T N 0.191 114.740 114.554 -0.007 0.000 2.904 180 T HA 0.180 4.530 4.350 -0.000 0.000 0.267 180 T C 1.159 175.859 174.700 -0.001 0.000 1.059 180 T CA 0.519 62.617 62.100 -0.003 0.000 1.137 180 T CB 0.022 68.891 68.868 0.002 0.000 0.879 180 T HN 0.424 nan 8.240 nan 0.000 0.467 181 A N 0.954 123.772 122.820 -0.002 0.000 2.406 181 A HA 0.732 5.052 4.320 -0.000 0.000 0.243 181 A C 1.959 179.547 177.584 0.008 0.000 1.082 181 A CA 0.048 52.087 52.037 0.004 0.000 0.786 181 A CB -0.217 18.784 19.000 0.001 0.000 1.029 181 A HN 0.553 nan 8.150 nan 0.000 0.495 182 A N 0.958 123.787 122.820 0.016 0.000 2.067 182 A HA 0.123 4.443 4.320 -0.000 0.000 0.219 182 A C 1.071 178.671 177.584 0.027 0.000 1.158 182 A CA 1.537 53.587 52.037 0.021 0.000 0.661 182 A CB -0.275 18.741 19.000 0.027 0.000 0.801 182 A HN 0.925 nan 8.150 nan 0.000 0.452 183 R N -1.342 119.175 120.500 0.029 0.000 2.643 183 R HA 0.525 4.865 4.340 -0.000 0.000 0.269 183 R C -0.724 175.587 176.300 0.018 0.000 1.037 183 R CA -0.428 55.694 56.100 0.037 0.000 0.894 183 R CB 0.925 31.264 30.300 0.065 0.000 1.238 183 R HN 0.209 nan 8.270 nan 0.000 0.459 184 V N 1.039 120.956 119.914 0.005 0.000 2.872 184 V HA 0.162 4.282 4.120 -0.000 0.000 0.307 184 V C 1.050 177.105 176.094 -0.066 0.000 1.072 184 V CA -0.171 62.096 62.300 -0.054 0.000 1.148 184 V CB -0.068 31.699 31.823 -0.094 0.000 0.954 184 V HN 0.935 nan 8.190 nan 0.000 0.490 185 L N 0.033 121.174 121.223 -0.137 0.000 4.001 185 L HA -0.253 4.087 4.340 -0.000 0.000 0.413 185 L C 1.847 178.712 176.870 -0.009 0.000 1.185 185 L CA 1.316 56.068 54.840 -0.147 0.000 0.963 185 L CB -1.631 40.261 42.059 -0.279 0.000 1.976 185 L HN 1.074 nan 8.230 nan 0.000 0.939 186 E N 0.993 121.202 120.200 0.015 0.000 2.130 186 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 186 E C 2.038 178.691 176.600 0.088 0.000 0.998 186 E CA 1.858 58.296 56.400 0.064 0.000 0.806 186 E CB 0.079 29.808 29.700 0.047 0.000 0.738 186 E HN 0.623 nan 8.360 nan 0.000 0.459 187 R N -0.113 120.421 120.500 0.057 0.000 2.189 187 R HA -0.048 4.292 4.340 -0.000 0.000 0.218 187 R C 2.256 178.614 176.300 0.096 0.000 1.074 187 R CA 1.245 57.386 56.100 0.068 0.000 0.991 187 R CB 0.221 30.540 30.300 0.032 0.000 0.883 187 R HN 0.294 nan 8.270 nan 0.000 0.457 188 V N -2.869 117.103 119.914 0.098 0.000 3.605 188 V HA 0.185 4.305 4.120 -0.000 0.000 0.284 188 V C 0.512 176.672 176.094 0.110 0.000 1.386 188 V CA 0.168 62.532 62.300 0.105 0.000 1.053 188 V CB 0.503 32.411 31.823 0.141 0.000 0.857 188 V HN 0.171 nan 8.190 nan 0.000 0.436 189 T N -1.811 112.855 114.554 0.188 0.000 2.887 189 T HA 0.861 5.211 4.350 -0.000 0.000 0.292 189 T C -0.148 174.756 174.700 0.340 0.000 1.087 189 T CA -0.065 62.208 62.100 0.289 0.000 1.009 189 T CB 1.922 70.982 68.868 0.320 0.000 1.203 189 T HN 0.914 nan 8.240 nan 0.000 0.518 190 A N 1.403 124.428 122.820 0.342 0.000 2.302 190 A HA 0.674 4.994 4.320 -0.000 0.000 0.285 190 A C -1.507 176.192 177.584 0.191 0.000 1.105 190 A CA -1.847 50.326 52.037 0.227 0.000 0.816 190 A CB -0.153 18.828 19.000 -0.032 0.000 1.067 190 A HN 0.677 nan 8.150 nan 0.000 0.489 191 P HA -0.187 nan 4.420 nan 0.000 0.217 191 P C -1.313 176.056 177.300 0.114 0.000 1.162 191 P CA 2.234 65.413 63.100 0.132 0.000 0.901 191 P CB -0.727 31.037 31.700 0.107 0.000 0.793 192 P HA -0.083 nan 4.420 nan 0.000 0.222 192 P C 1.411 178.760 177.300 0.081 0.000 1.147 192 P CA 1.243 64.364 63.100 0.035 0.000 0.790 192 P CB -0.336 31.339 31.700 -0.042 0.000 0.780 193 V N 0.080 120.082 119.914 0.145 0.000 2.535 193 V HA -0.111 4.008 4.120 -0.000 0.000 0.246 193 V C 2.705 179.063 176.094 0.440 0.000 1.045 193 V CA 1.909 64.378 62.300 0.282 0.000 1.058 193 V CB -1.247 30.783 31.823 0.344 0.000 0.689 193 V HN 0.149 nan 8.190 nan 0.000 0.461 194 S N 0.603 116.505 115.700 0.337 0.000 2.368 194 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 194 S C 2.260 177.032 174.600 0.285 0.000 1.030 194 S CA 1.379 59.769 58.200 0.318 0.000 0.999 194 S CB -0.447 62.866 63.200 0.189 0.000 0.844 194 S HN 0.629 nan 8.310 nan 0.000 0.459 195 A N 1.211 124.160 122.820 0.216 0.000 1.908 195 A HA -0.121 4.199 4.320 -0.000 0.000 0.218 195 A C 1.890 179.597 177.584 0.206 0.000 1.181 195 A CA 1.632 53.771 52.037 0.170 0.000 0.627 195 A CB -0.905 18.160 19.000 0.108 0.000 0.818 195 A HN 0.522 nan 8.150 nan 0.000 0.445 196 F N -0.486 119.520 119.950 0.093 0.000 2.069 196 F HA -0.220 4.307 4.527 -0.000 0.000 0.298 196 F C 2.118 177.989 175.800 0.118 0.000 1.113 196 F CA 1.836 59.873 58.000 0.062 0.000 1.214 196 F CB -0.702 38.298 39.000 0.000 0.000 0.978 196 F HN 0.310 nan 8.300 nan 0.000 0.474 197 Y N 0.813 121.131 120.300 0.030 0.000 2.145 197 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 197 Y C 2.577 178.522 175.900 0.075 0.000 1.145 197 Y CA 1.898 59.994 58.100 -0.007 0.000 1.148 197 Y CB -0.688 37.883 38.460 0.184 0.000 0.981 197 Y HN 0.159 nan 8.280 nan 0.000 0.507 198 E N -1.032 119.312 120.200 0.240 0.000 2.085 198 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 198 E C 2.115 178.780 176.600 0.109 0.000 0.994 198 E CA 1.318 57.812 56.400 0.158 0.000 0.801 198 E CB -0.321 29.454 29.700 0.125 0.000 0.743 198 E HN 0.547 nan 8.360 nan 0.000 0.453 199 H N 0.981 120.044 119.070 -0.011 0.000 2.389 199 H HA -0.068 4.488 4.556 -0.000 0.000 0.299 199 H C 2.258 177.507 175.328 -0.132 0.000 1.081 199 H CA 0.819 56.833 56.048 -0.056 0.000 1.345 199 H CB -0.036 29.697 29.762 -0.048 0.000 1.393 199 H HN 0.157 nan 8.280 nan 0.000 0.520 200 L N 0.797 121.879 121.223 -0.234 0.000 1.989 200 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 200 L C 2.384 179.018 176.870 -0.394 0.000 1.071 200 L CA 1.838 56.435 54.840 -0.405 0.000 0.749 200 L CB -0.850 40.835 42.059 -0.623 0.000 0.890 200 L HN 0.434 nan 8.230 nan 0.000 0.431 201 H N -0.094 118.898 119.070 -0.130 0.000 2.326 201 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 201 H C 2.385 177.636 175.328 -0.128 0.000 1.081 201 H CA 1.471 57.498 56.048 -0.035 0.000 1.334 201 H CB 0.054 29.878 29.762 0.103 0.000 1.385 201 H HN 0.368 nan 8.280 nan 0.000 0.504 202 R N 0.588 121.073 120.500 -0.025 0.000 2.105 202 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 202 R C 2.334 178.522 176.300 -0.188 0.000 1.135 202 R CA 1.388 57.435 56.100 -0.089 0.000 0.967 202 R CB -0.095 30.157 30.300 -0.079 0.000 0.861 202 R HN 0.290 nan 8.270 nan 0.000 0.442 203 E N 0.622 120.623 120.200 -0.331 0.000 2.110 203 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 203 E C 1.649 178.079 176.600 -0.282 0.000 0.988 203 E CA 1.452 57.636 56.400 -0.359 0.000 0.804 203 E CB -0.035 29.360 29.700 -0.509 0.000 0.745 203 E HN 0.371 nan 8.360 nan 0.000 0.458 204 A N -1.005 121.614 122.820 -0.334 0.000 2.168 204 A HA 0.256 4.576 4.320 -0.000 0.000 0.215 204 A C 1.845 179.334 177.584 -0.158 0.000 1.152 204 A CA 1.216 53.055 52.037 -0.330 0.000 0.716 204 A CB -0.314 18.312 19.000 -0.623 0.000 0.794 204 A HN 0.499 nan 8.150 nan 0.000 0.465 205 G N -2.419 106.307 108.800 -0.123 0.000 2.260 205 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.179 205 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.179 205 G C 0.127 174.975 174.900 -0.086 0.000 1.002 205 G CA -0.087 44.957 45.100 -0.095 0.000 0.677 205 G HN 0.642 nan 8.290 nan 0.000 0.486 206 V N 1.882 121.781 119.914 -0.024 0.000 2.572 206 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 206 V C 0.305 176.379 176.094 -0.034 0.000 1.039 206 V CA 0.429 62.727 62.300 -0.002 0.000 1.055 206 V CB 1.625 33.518 31.823 0.117 0.000 0.969 206 V HN 0.372 nan 8.190 nan 0.000 0.482 207 D N 5.078 125.442 120.400 -0.060 0.000 2.456 207 D HA 0.304 4.943 4.640 -0.000 0.000 0.219 207 D C -0.215 176.075 176.300 -0.017 0.000 1.126 207 D CA -0.237 53.739 54.000 -0.039 0.000 0.890 207 D CB 0.315 41.092 40.800 -0.039 0.000 1.025 207 D HN 0.421 nan 8.370 nan 0.000 0.511 208 I N 4.164 124.728 120.570 -0.010 0.000 2.371 208 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 208 I C 0.649 176.763 176.117 -0.005 0.000 1.028 208 I CA -0.498 60.794 61.300 -0.014 0.000 1.345 208 I CB 0.782 38.775 38.000 -0.012 0.000 1.407 208 I HN 0.113 nan 8.210 nan 0.000 0.501 209 R N 4.893 125.388 120.500 -0.008 0.000 2.310 209 R HA 0.319 4.659 4.340 -0.000 0.000 0.316 209 R C -0.275 176.021 176.300 -0.006 0.000 1.004 209 R CA -0.547 55.551 56.100 -0.003 0.000 0.900 209 R CB 1.441 31.740 30.300 -0.001 0.000 1.152 209 R HN 0.652 nan 8.270 nan 0.000 0.513 210 T N -1.914 112.639 114.554 -0.001 0.000 2.847 210 T HA 0.385 4.734 4.350 -0.000 0.000 0.279 210 T C 1.190 175.890 174.700 0.001 0.000 0.984 210 T CA 0.075 62.174 62.100 -0.001 0.000 0.988 210 T CB 1.579 70.451 68.868 0.007 0.000 1.040 210 T HN 0.731 nan 8.240 nan 0.000 0.528 211 G N 0.932 109.733 108.800 0.001 0.000 2.283 211 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.280 211 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.280 211 G C 0.088 174.986 174.900 -0.003 0.000 1.029 211 G CA 0.346 45.447 45.100 0.001 0.000 0.840 211 G HN 1.069 nan 8.290 nan 0.000 0.505 212 T N -0.229 114.321 114.554 -0.007 0.000 2.823 212 T HA 0.599 4.949 4.350 -0.000 0.000 0.279 212 T C -0.156 174.535 174.700 -0.015 0.000 0.998 212 T CA -0.364 61.729 62.100 -0.012 0.000 0.994 212 T CB 2.096 70.956 68.868 -0.013 0.000 0.960 212 T HN 0.412 nan 8.240 nan 0.000 0.448 213 Q N 2.573 122.359 119.800 -0.022 0.000 2.340 213 Q HA 0.551 4.891 4.340 -0.000 0.000 0.268 213 Q C -1.272 174.698 176.000 -0.051 0.000 1.031 213 Q CA -0.711 55.077 55.803 -0.025 0.000 0.804 213 Q CB 1.438 30.165 28.738 -0.020 0.000 1.286 213 Q HN 0.454 nan 8.270 nan 0.000 0.448 214 V N 4.304 124.182 119.914 -0.062 0.000 2.488 214 V HA 0.028 4.148 4.120 -0.000 0.000 0.277 214 V C 1.049 177.054 176.094 -0.148 0.000 1.046 214 V CA -0.263 61.955 62.300 -0.137 0.000 0.986 214 V CB 0.581 32.309 31.823 -0.159 0.000 0.989 214 V HN 1.076 nan 8.190 nan 0.000 0.475 215 C N 2.153 121.344 119.300 -0.183 0.000 2.865 215 C HA 0.733 5.193 4.460 -0.000 0.000 0.280 215 C C 0.935 175.819 174.990 -0.177 0.000 1.255 215 C CA 0.177 59.114 59.018 -0.136 0.000 1.705 215 C CB -1.012 26.672 27.740 -0.092 0.000 2.080 215 C HN 1.056 nan 8.230 nan 0.000 0.591 216 G N -0.488 108.093 108.800 -0.365 0.000 2.325 216 G HA2 0.524 4.484 3.960 -0.000 0.000 0.295 216 G HA3 0.524 4.484 3.960 -0.000 0.000 0.295 216 G C -1.874 172.599 174.900 -0.711 0.000 1.274 216 G CA -0.549 44.329 45.100 -0.370 0.000 0.857 216 G HN 0.176 nan 8.290 nan 0.000 0.499 217 F N -0.193 119.742 119.950 -0.025 0.000 2.626 217 F HA 0.642 5.168 4.527 -0.000 0.000 0.311 217 F C -0.034 175.754 175.800 -0.020 0.000 1.088 217 F CA -0.829 57.159 58.000 -0.020 0.000 0.949 217 F CB 2.325 41.303 39.000 -0.036 0.000 1.322 217 F HN 0.397 nan 8.300 nan 0.000 0.461 218 E N 1.880 122.192 120.200 0.186 0.000 2.191 218 E HA 0.722 5.072 4.350 -0.000 0.000 0.274 218 E C -1.077 175.580 176.600 0.094 0.000 0.948 218 E CA -0.814 55.645 56.400 0.098 0.000 0.802 218 E CB 2.441 32.176 29.700 0.058 0.000 1.137 218 E HN 0.481 nan 8.360 nan 0.000 0.397 219 M N 0.951 120.582 119.600 0.052 0.000 2.593 219 M HA 0.276 4.756 4.480 -0.000 0.000 0.290 219 M C -0.624 175.685 176.300 0.016 0.000 1.244 219 M CA -0.996 54.321 55.300 0.028 0.000 0.857 219 M CB 2.451 35.054 32.600 0.005 0.000 1.738 219 M HN 0.484 nan 8.290 nan 0.000 0.461 220 S N -0.541 115.165 115.700 0.009 0.000 2.545 220 S HA 0.173 4.643 4.470 -0.000 0.000 0.275 220 S C 0.660 175.261 174.600 0.001 0.000 1.299 220 S CA -0.331 57.873 58.200 0.006 0.000 1.048 220 S CB 1.502 64.705 63.200 0.005 0.000 0.938 220 S HN 0.832 nan 8.310 nan 0.000 0.496 221 T N 1.401 115.956 114.554 0.001 0.000 2.777 221 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 221 T C 1.481 176.179 174.700 -0.002 0.000 1.040 221 T CA 1.875 63.974 62.100 -0.001 0.000 1.141 221 T CB -0.757 68.110 68.868 -0.000 0.000 0.868 221 T HN 0.869 nan 8.240 nan 0.000 0.444 222 D N 0.626 121.025 120.400 -0.001 0.000 2.091 222 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 222 D C 1.963 178.262 176.300 -0.002 0.000 0.980 222 D CA 1.234 55.233 54.000 -0.002 0.000 0.831 222 D CB -0.759 40.041 40.800 -0.001 0.000 0.987 222 D HN 0.466 nan 8.370 nan 0.000 0.460 223 Q N -0.684 119.115 119.800 -0.002 0.000 2.424 223 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 223 Q C -0.015 175.983 176.000 -0.004 0.000 0.933 223 Q CA 0.034 55.836 55.803 -0.002 0.000 0.929 223 Q CB 0.193 28.931 28.738 -0.000 0.000 1.037 223 Q HN 0.115 nan 8.270 nan 0.000 0.511 224 Q N 0.227 120.023 119.800 -0.007 0.000 2.453 224 Q HA -0.191 4.149 4.340 -0.000 0.000 0.294 224 Q C -1.031 174.959 176.000 -0.016 0.000 1.295 224 Q CA 1.211 57.006 55.803 -0.014 0.000 0.853 224 Q CB -1.573 27.155 28.738 -0.015 0.000 1.193 224 Q HN 0.416 nan 8.270 nan 0.000 0.461 225 K N -0.665 119.729 120.400 -0.009 0.000 2.267 225 K HA 0.628 4.948 4.320 -0.000 0.000 0.246 225 K C 0.103 176.702 176.600 -0.001 0.000 0.954 225 K CA -0.884 55.400 56.287 -0.005 0.000 0.824 225 K CB 1.918 34.420 32.500 0.004 0.000 1.167 225 K HN -0.099 nan 8.250 nan 0.000 0.431 226 V N 1.974 121.890 119.914 0.003 0.000 2.637 226 V HA -0.001 4.119 4.120 -0.000 0.000 0.296 226 V C 1.191 177.318 176.094 0.055 0.000 1.046 226 V CA 0.468 62.786 62.300 0.030 0.000 1.066 226 V CB 1.050 32.899 31.823 0.043 0.000 0.968 226 V HN 1.098 nan 8.190 nan 0.000 0.483 227 T N 0.322 114.918 114.554 0.070 0.000 2.959 227 T HA 0.641 4.991 4.350 -0.000 0.000 0.254 227 T C 0.223 174.963 174.700 0.066 0.000 1.003 227 T CA 0.453 62.585 62.100 0.053 0.000 0.950 227 T CB 0.590 69.478 68.868 0.034 0.000 1.090 227 T HN 1.137 nan 8.240 nan 0.000 0.503 228 A N 0.448 123.335 122.820 0.111 0.000 2.599 228 A HA 0.656 4.976 4.320 -0.000 0.000 0.294 228 A C -1.605 176.074 177.584 0.157 0.000 1.055 228 A CA -0.730 51.368 52.037 0.101 0.000 0.683 228 A CB 1.365 20.393 19.000 0.048 0.000 1.278 228 A HN 0.255 nan 8.150 nan 0.000 0.412 229 V N 2.537 122.504 119.914 0.089 0.000 2.417 229 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 229 V C -0.748 175.268 176.094 -0.129 0.000 1.024 229 V CA -0.685 61.593 62.300 -0.036 0.000 0.861 229 V CB 1.270 33.109 31.823 0.028 0.000 0.985 229 V HN 0.674 nan 8.190 nan 0.000 0.436 230 L N 3.971 125.044 121.223 -0.250 0.000 2.317 230 L HA 0.549 4.889 4.340 -0.000 0.000 0.281 230 L C 0.029 176.792 176.870 -0.178 0.000 1.024 230 L CA -0.235 54.505 54.840 -0.167 0.000 0.810 230 L CB 1.087 43.062 42.059 -0.140 0.000 1.240 230 L HN 0.655 nan 8.230 nan 0.000 0.427 231 C N 1.377 120.612 119.300 -0.107 0.000 2.364 231 C HA 0.272 4.732 4.460 -0.000 0.000 0.356 231 C C 1.982 176.930 174.990 -0.070 0.000 1.201 231 C CA -0.626 58.340 59.018 -0.087 0.000 2.227 231 C CB 1.392 29.099 27.740 -0.055 0.000 2.387 231 C HN 0.939 nan 8.230 nan 0.000 0.546 232 E N 1.884 122.048 120.200 -0.060 0.000 2.171 232 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 232 E C 1.513 178.094 176.600 -0.033 0.000 0.997 232 E CA 2.030 58.404 56.400 -0.044 0.000 0.810 232 E CB -0.162 29.517 29.700 -0.034 0.000 0.738 232 E HN 0.794 nan 8.360 nan 0.000 0.467 233 D N -1.495 118.887 120.400 -0.029 0.000 2.324 233 D HA 0.056 4.696 4.640 -0.000 0.000 0.235 233 D C 1.146 177.433 176.300 -0.021 0.000 1.095 233 D CA 0.763 54.751 54.000 -0.021 0.000 0.871 233 D CB -0.188 40.602 40.800 -0.016 0.000 0.906 233 D HN 0.302 nan 8.370 nan 0.000 0.522 234 G N -0.152 108.631 108.800 -0.028 0.000 2.176 234 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.253 234 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.253 234 G C 0.341 175.226 174.900 -0.025 0.000 0.979 234 G CA 0.270 45.355 45.100 -0.026 0.000 0.641 234 G HN 0.443 nan 8.290 nan 0.000 0.530 235 T N 1.044 115.582 114.554 -0.027 0.000 2.814 235 T HA 0.447 4.797 4.350 -0.000 0.000 0.297 235 T C 0.517 175.201 174.700 -0.028 0.000 0.956 235 T CA 0.093 62.181 62.100 -0.021 0.000 1.123 235 T CB 1.425 70.284 68.868 -0.016 0.000 0.902 235 T HN 0.532 nan 8.240 nan 0.000 0.528 236 R N 3.740 124.228 120.500 -0.020 0.000 2.255 236 R HA 0.440 4.780 4.340 -0.000 0.000 0.326 236 R C -1.109 175.184 176.300 -0.012 0.000 0.986 236 R CA -0.610 55.478 56.100 -0.021 0.000 0.847 236 R CB 0.283 30.574 30.300 -0.015 0.000 1.111 236 R HN 0.588 nan 8.270 nan 0.000 0.452 237 L N 7.692 128.910 121.223 -0.008 0.000 2.295 237 L HA 0.448 4.788 4.340 -0.000 0.000 0.281 237 L C -1.963 174.914 176.870 0.011 0.000 1.018 237 L CA -2.265 52.578 54.840 0.006 0.000 0.841 237 L CB 1.774 43.845 42.059 0.020 0.000 1.218 237 L HN 0.522 nan 8.230 nan 0.000 0.424 238 P HA 0.201 nan 4.420 nan 0.000 0.271 238 P C -0.942 176.358 177.300 -0.001 0.000 1.216 238 P CA -0.094 63.001 63.100 -0.009 0.000 0.771 238 P CB 1.684 33.359 31.700 -0.041 0.000 0.864 239 A N 2.723 125.560 122.820 0.028 0.000 2.486 239 A HA 0.445 4.765 4.320 -0.000 0.000 0.300 239 A C 0.305 177.909 177.584 0.034 0.000 1.048 239 A CA -0.535 51.526 52.037 0.040 0.000 0.696 239 A CB 1.120 20.170 19.000 0.084 0.000 1.278 239 A HN 0.430 nan 8.150 nan 0.000 0.405 240 D N 0.106 120.519 120.400 0.022 0.000 2.388 240 D HA 0.202 4.842 4.640 -0.000 0.000 0.208 240 D C -0.382 175.927 176.300 0.015 0.000 1.035 240 D CA 0.867 54.876 54.000 0.015 0.000 0.875 240 D CB 0.794 41.598 40.800 0.007 0.000 0.984 240 D HN 0.319 nan 8.370 nan 0.000 0.508 241 L N 0.525 121.758 121.223 0.015 0.000 2.505 241 L HA 0.378 4.718 4.340 -0.000 0.000 0.259 241 L C -1.773 175.086 176.870 -0.018 0.000 0.952 241 L CA -0.720 54.115 54.840 -0.008 0.000 0.840 241 L CB 2.504 44.549 42.059 -0.023 0.000 1.358 241 L HN -0.350 nan 8.230 nan 0.000 0.409 242 V N 5.753 125.622 119.914 -0.075 0.000 2.577 242 V HA 0.564 4.684 4.120 -0.000 0.000 0.303 242 V C -0.466 175.374 176.094 -0.423 0.000 1.042 242 V CA -0.362 61.853 62.300 -0.142 0.000 0.872 242 V CB 1.807 33.644 31.823 0.024 0.000 0.998 242 V HN 0.602 nan 8.190 nan 0.000 0.423 243 I N 4.054 124.409 120.570 -0.358 0.000 2.418 243 I HA 0.752 4.922 4.170 -0.000 0.000 0.287 243 I C 0.227 176.092 176.117 -0.420 0.000 1.008 243 I CA -0.509 60.534 61.300 -0.428 0.000 1.104 243 I CB 1.911 39.773 38.000 -0.230 0.000 1.264 243 I HN 0.685 nan 8.210 nan 0.000 0.438 244 A N 4.465 126.910 122.820 -0.626 0.000 2.317 244 A HA 0.884 5.204 4.320 -0.000 0.000 0.327 244 A C 0.070 177.570 177.584 -0.140 0.000 1.178 244 A CA -0.557 51.245 52.037 -0.391 0.000 0.817 244 A CB 1.235 19.924 19.000 -0.518 0.000 1.189 244 A HN 0.869 nan 8.150 nan 0.000 0.489 245 G N 1.682 110.477 108.800 -0.009 0.000 2.770 245 G HA2 0.481 4.441 3.960 -0.000 0.000 0.298 245 G HA3 0.481 4.441 3.960 -0.000 0.000 0.298 245 G C -0.213 174.716 174.900 0.049 0.000 1.534 245 G CA -0.114 45.018 45.100 0.054 0.000 1.046 245 G HN 1.205 nan 8.290 nan 0.000 0.548 246 I N 0.368 120.995 120.570 0.095 0.000 3.736 246 I HA 0.656 4.826 4.170 -0.000 0.000 0.338 246 I C 0.614 176.753 176.117 0.037 0.000 1.558 246 I CA -0.264 61.073 61.300 0.061 0.000 1.147 246 I CB 0.283 38.336 38.000 0.090 0.000 1.275 246 I HN 0.733 nan 8.210 nan 0.000 0.454 247 G N 1.386 110.199 108.800 0.021 0.000 2.479 247 G HA2 0.076 4.036 3.960 -0.000 0.000 0.686 247 G HA3 0.076 4.036 3.960 -0.000 0.000 0.686 247 G C -1.926 172.968 174.900 -0.010 0.000 1.295 247 G CA -0.657 44.441 45.100 -0.004 0.000 0.922 247 G HN 0.279 nan 8.290 nan 0.000 0.582 248 L N -0.294 120.911 121.223 -0.029 0.000 2.354 248 L HA 0.882 5.222 4.340 -0.000 0.000 0.269 248 L C -0.095 176.752 176.870 -0.039 0.000 1.005 248 L CA -1.012 53.804 54.840 -0.039 0.000 0.819 248 L CB 1.752 43.782 42.059 -0.048 0.000 1.311 248 L HN 0.611 nan 8.230 nan 0.000 0.423 249 I N 6.170 126.713 120.570 -0.044 0.000 2.355 249 I HA 0.368 4.538 4.170 -0.000 0.000 0.288 249 I C -2.097 173.998 176.117 -0.038 0.000 0.999 249 I CA -1.894 59.382 61.300 -0.039 0.000 1.163 249 I CB 1.772 39.745 38.000 -0.044 0.000 1.316 249 I HN 0.467 nan 8.210 nan 0.000 0.454 250 P HA 0.005 nan 4.420 nan 0.000 0.268 250 P C -0.983 176.301 177.300 -0.026 0.000 1.205 250 P CA -0.261 62.824 63.100 -0.026 0.000 0.771 250 P CB 0.583 32.274 31.700 -0.015 0.000 0.858 251 N N 2.464 121.147 118.700 -0.027 0.000 2.663 251 N HA 0.086 4.826 4.740 -0.000 0.000 0.250 251 N C 0.318 175.815 175.510 -0.022 0.000 1.129 251 N CA -0.067 52.967 53.050 -0.027 0.000 0.995 251 N CB -0.363 38.105 38.487 -0.031 0.000 1.324 251 N HN 0.412 nan 8.380 nan 0.000 0.512 252 C N 0.462 119.750 119.300 -0.020 0.000 3.038 252 C HA 0.148 4.608 4.460 -0.000 0.000 0.279 252 C C 2.006 176.986 174.990 -0.017 0.000 1.276 252 C CA -0.419 58.590 59.018 -0.016 0.000 1.697 252 C CB -0.268 27.464 27.740 -0.013 0.000 2.032 252 C HN 0.529 nan 8.230 nan 0.000 0.636 253 E N 2.222 122.411 120.200 -0.018 0.000 2.108 253 E HA -0.217 4.133 4.350 -0.000 0.000 0.203 253 E C 1.900 178.492 176.600 -0.013 0.000 1.022 253 E CA 1.375 57.766 56.400 -0.016 0.000 0.823 253 E CB -0.446 29.244 29.700 -0.017 0.000 0.744 253 E HN 0.585 nan 8.360 nan 0.000 0.456 254 L N -0.210 121.004 121.223 -0.015 0.000 2.042 254 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 254 L C 2.350 179.214 176.870 -0.010 0.000 1.076 254 L CA 1.226 56.058 54.840 -0.013 0.000 0.749 254 L CB -0.569 41.478 42.059 -0.020 0.000 0.893 254 L HN 0.197 nan 8.230 nan 0.000 0.432 255 A N 0.267 123.079 122.820 -0.013 0.000 1.841 255 A HA -0.208 4.112 4.320 -0.000 0.000 0.214 255 A C 2.513 180.093 177.584 -0.007 0.000 1.195 255 A CA 1.921 53.952 52.037 -0.010 0.000 0.611 255 A CB -0.861 18.133 19.000 -0.010 0.000 0.835 255 A HN 0.501 nan 8.150 nan 0.000 0.443 256 S N 0.296 115.990 115.700 -0.010 0.000 2.400 256 S HA -0.014 4.456 4.470 -0.000 0.000 0.232 256 S C 1.981 176.577 174.600 -0.007 0.000 1.025 256 S CA 1.432 59.626 58.200 -0.011 0.000 0.993 256 S CB -0.618 62.574 63.200 -0.014 0.000 0.808 256 S HN 0.908 nan 8.310 nan 0.000 0.478 257 A N 1.645 124.462 122.820 -0.005 0.000 1.968 257 A HA 0.530 4.850 4.320 -0.000 0.000 0.217 257 A C 2.264 179.850 177.584 0.004 0.000 1.169 257 A CA 1.141 53.177 52.037 -0.002 0.000 0.638 257 A CB -1.035 17.964 19.000 -0.001 0.000 0.812 257 A HN 0.893 nan 8.150 nan 0.000 0.446 258 A N -1.447 121.377 122.820 0.006 0.000 2.278 258 A HA 0.429 4.749 4.320 -0.000 0.000 0.212 258 A C 1.614 179.205 177.584 0.013 0.000 1.213 258 A CA 1.018 53.064 52.037 0.015 0.000 0.840 258 A CB -1.091 17.922 19.000 0.022 0.000 0.866 258 A HN 1.826 nan 8.150 nan 0.000 0.489 259 G N -0.980 107.823 108.800 0.005 0.000 2.143 259 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.248 259 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.248 259 G C 0.039 174.940 174.900 0.002 0.000 0.991 259 G CA 0.357 45.459 45.100 0.003 0.000 0.689 259 G HN 0.461 nan 8.290 nan 0.000 0.522 260 L N 0.049 121.273 121.223 0.001 0.000 2.375 260 L HA 0.402 4.742 4.340 -0.000 0.000 0.271 260 L C 1.166 178.030 176.870 -0.009 0.000 1.107 260 L CA -0.699 54.142 54.840 0.001 0.000 0.806 260 L CB 1.075 43.136 42.059 0.004 0.000 1.146 260 L HN 0.267 nan 8.230 nan 0.000 0.447 261 Q N 1.593 121.384 119.800 -0.014 0.000 2.300 261 Q HA 0.274 4.614 4.340 -0.000 0.000 0.280 261 Q C -1.290 174.688 176.000 -0.036 0.000 1.033 261 Q CA 0.019 55.801 55.803 -0.035 0.000 0.903 261 Q CB 0.953 29.658 28.738 -0.054 0.000 1.195 261 Q HN 0.421 nan 8.270 nan 0.000 0.386 262 V N 3.497 123.384 119.914 -0.047 0.000 2.925 262 V HA 0.376 4.496 4.120 -0.000 0.000 0.311 262 V C -1.113 174.946 176.094 -0.059 0.000 1.104 262 V CA -0.683 61.593 62.300 -0.040 0.000 0.954 262 V CB 2.234 34.041 31.823 -0.027 0.000 1.022 262 V HN 0.881 nan 8.190 nan 0.000 0.427 263 D N 3.787 124.155 120.400 -0.054 0.000 2.362 263 D HA 0.159 4.799 4.640 -0.000 0.000 0.228 263 D C -0.120 176.157 176.300 -0.038 0.000 1.326 263 D CA -0.301 53.661 54.000 -0.063 0.000 0.927 263 D CB 0.226 40.959 40.800 -0.111 0.000 1.501 263 D HN 0.540 nan 8.370 nan 0.000 0.519 264 N N 2.553 121.236 118.700 -0.027 0.000 2.714 264 N HA -0.133 4.606 4.740 -0.000 0.000 0.253 264 N C -0.114 175.393 175.510 -0.005 0.000 1.024 264 N CA 2.046 55.086 53.050 -0.017 0.000 0.726 264 N CB -1.094 37.382 38.487 -0.018 0.000 0.908 264 N HN 1.055 nan 8.380 nan 0.000 0.542 265 G N -0.668 108.130 108.800 -0.002 0.000 2.340 265 G HA2 0.108 4.068 3.960 -0.000 0.000 0.527 265 G HA3 0.108 4.068 3.960 -0.000 0.000 0.527 265 G C -0.699 174.213 174.900 0.021 0.000 1.381 265 G CA -0.441 44.670 45.100 0.017 0.000 1.001 265 G HN 0.297 nan 8.290 nan 0.000 0.626 266 I N 1.106 121.698 120.570 0.037 0.000 2.322 266 I HA 0.266 4.436 4.170 -0.000 0.000 0.292 266 I C 0.887 177.051 176.117 0.078 0.000 1.060 266 I CA -0.755 60.567 61.300 0.037 0.000 1.309 266 I CB 1.245 39.262 38.000 0.028 0.000 1.415 266 I HN 0.293 nan 8.210 nan 0.000 0.492 267 V N 8.066 128.015 119.914 0.058 0.000 2.529 267 V HA 0.118 4.238 4.120 -0.000 0.000 0.292 267 V C 0.317 176.508 176.094 0.161 0.000 1.028 267 V CA 0.212 62.572 62.300 0.101 0.000 1.074 267 V CB 0.284 32.084 31.823 -0.038 0.000 0.958 267 V HN 0.578 nan 8.190 nan 0.000 0.481 268 I N 2.304 123.047 120.570 0.288 0.000 2.828 268 I HA 0.739 4.909 4.170 -0.000 0.000 0.302 268 I C -0.342 175.985 176.117 0.350 0.000 1.101 268 I CA -1.077 60.375 61.300 0.254 0.000 1.031 268 I CB 2.438 40.553 38.000 0.191 0.000 1.231 268 I HN 0.581 nan 8.210 nan 0.000 0.427 269 N N 2.136 120.993 118.700 0.261 0.000 2.538 269 N HA 0.176 4.915 4.740 -0.000 0.000 0.292 269 N C 0.775 176.381 175.510 0.160 0.000 1.262 269 N CA -0.333 52.870 53.050 0.254 0.000 0.976 269 N CB 0.138 38.770 38.487 0.240 0.000 1.161 269 N HN 0.744 nan 8.380 nan 0.000 0.598 270 E N -0.533 119.723 120.200 0.093 0.000 2.331 270 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 270 E C -0.004 176.474 176.600 -0.203 0.000 1.008 270 E CA 1.610 57.970 56.400 -0.067 0.000 0.843 270 E CB -0.731 28.881 29.700 -0.146 0.000 0.761 270 E HN 0.750 nan 8.360 nan 0.000 0.507 271 H N -0.058 119.040 119.070 0.047 0.000 2.505 271 H HA 0.272 4.828 4.556 -0.000 0.000 0.289 271 H C 0.411 175.756 175.328 0.027 0.000 1.052 271 H CA 0.434 56.502 56.048 0.033 0.000 1.156 271 H CB 0.445 30.230 29.762 0.037 0.000 1.507 271 H HN -0.072 nan 8.280 nan 0.000 0.548 272 M N -1.146 118.512 119.600 0.097 0.000 2.931 272 M HA -0.271 4.209 4.480 -0.000 0.000 0.190 272 M C -0.289 176.060 176.300 0.082 0.000 0.626 272 M CA 0.784 56.123 55.300 0.064 0.000 0.722 272 M CB -2.138 30.472 32.600 0.017 0.000 2.597 272 M HN 0.451 nan 8.290 nan 0.000 0.299 273 Q N 0.950 120.820 119.800 0.117 0.000 2.340 273 Q HA 0.468 4.808 4.340 -0.000 0.000 0.249 273 Q C 1.187 177.246 176.000 0.097 0.000 0.957 273 Q CA 0.466 56.325 55.803 0.094 0.000 0.882 273 Q CB 1.074 29.869 28.738 0.095 0.000 1.235 273 Q HN 0.511 nan 8.270 nan 0.000 0.439 274 T N -2.104 112.491 114.554 0.067 0.000 2.891 274 T HA 0.145 4.495 4.350 -0.000 0.000 0.294 274 T C 1.185 175.920 174.700 0.058 0.000 1.065 274 T CA -0.379 61.759 62.100 0.063 0.000 0.936 274 T CB 0.429 69.319 68.868 0.035 0.000 1.415 274 T HN 0.459 nan 8.240 nan 0.000 0.572 275 S N 0.612 116.337 115.700 0.041 0.000 2.440 275 S HA -0.047 4.423 4.470 -0.000 0.000 0.238 275 S C 0.680 175.302 174.600 0.036 0.000 1.010 275 S CA 1.065 59.285 58.200 0.034 0.000 0.972 275 S CB -0.545 62.665 63.200 0.017 0.000 0.774 275 S HN 0.811 nan 8.310 nan 0.000 0.501 276 D N 0.495 120.918 120.400 0.038 0.000 2.280 276 D HA 0.275 4.915 4.640 -0.000 0.000 0.236 276 D C -2.068 174.261 176.300 0.049 0.000 1.082 276 D CA -2.575 51.452 54.000 0.045 0.000 0.834 276 D CB 1.650 42.482 40.800 0.053 0.000 1.100 276 D HN -0.140 nan 8.370 nan 0.000 0.486 277 P HA -0.152 nan 4.420 nan 0.000 0.216 277 P C 1.221 178.556 177.300 0.057 0.000 1.154 277 P CA 0.888 64.016 63.100 0.045 0.000 0.865 277 P CB 0.299 32.021 31.700 0.037 0.000 0.789 278 L N -2.102 119.170 121.223 0.082 0.000 2.599 278 L HA 0.114 4.454 4.340 -0.000 0.000 0.230 278 L C 1.040 177.944 176.870 0.056 0.000 1.141 278 L CA 0.624 55.530 54.840 0.110 0.000 0.877 278 L CB -1.114 41.068 42.059 0.206 0.000 1.009 278 L HN 0.045 nan 8.230 nan 0.000 0.447 279 I N 0.333 120.916 120.570 0.021 0.000 2.362 279 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 279 I C -0.042 176.061 176.117 -0.024 0.000 0.994 279 I CA -0.061 61.210 61.300 -0.048 0.000 1.158 279 I CB 1.648 39.617 38.000 -0.051 0.000 1.315 279 I HN -0.045 nan 8.210 nan 0.000 0.451 280 M N 4.585 124.157 119.600 -0.047 0.000 2.724 280 M HA 0.813 5.293 4.480 -0.000 0.000 0.310 280 M C -0.436 175.845 176.300 -0.031 0.000 1.217 280 M CA -0.663 54.625 55.300 -0.020 0.000 0.894 280 M CB 2.406 34.991 32.600 -0.025 0.000 1.719 280 M HN 0.641 nan 8.290 nan 0.000 0.479 281 A N 0.935 123.752 122.820 -0.006 0.000 2.413 281 A HA 0.944 5.264 4.320 -0.000 0.000 0.307 281 A C -1.556 176.022 177.584 -0.011 0.000 1.087 281 A CA -0.773 51.260 52.037 -0.006 0.000 0.750 281 A CB 2.048 21.062 19.000 0.024 0.000 1.296 281 A HN 0.683 nan 8.150 nan 0.000 0.423 282 V N 0.446 120.347 119.914 -0.021 0.000 3.077 282 V HA 0.740 4.860 4.120 -0.000 0.000 0.299 282 V C 0.282 176.357 176.094 -0.032 0.000 1.276 282 V CA 1.255 63.532 62.300 -0.037 0.000 0.993 282 V CB 1.546 33.335 31.823 -0.057 0.000 1.076 282 V HN 2.949 nan 8.190 nan 0.000 0.434 283 G N 5.042 113.819 108.800 -0.038 0.000 2.527 283 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.227 283 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.227 283 G C 0.114 175.009 174.900 -0.008 0.000 1.291 283 G CA 0.527 45.606 45.100 -0.034 0.000 0.904 283 G HN 0.951 nan 8.290 nan 0.000 0.577 284 D N -0.150 120.235 120.400 -0.024 0.000 2.228 284 D HA -0.127 4.513 4.640 -0.000 0.000 0.203 284 D C 2.515 178.815 176.300 0.001 0.000 0.988 284 D CA 2.277 56.265 54.000 -0.021 0.000 0.864 284 D CB -0.527 40.245 40.800 -0.046 0.000 0.928 284 D HN 1.003 nan 8.370 nan 0.000 0.469 285 C N -0.403 118.898 119.300 0.002 0.000 2.562 285 C HA 0.621 5.081 4.460 -0.000 0.000 0.266 285 C C 1.198 176.214 174.990 0.044 0.000 1.382 285 C CA -0.633 58.392 59.018 0.011 0.000 1.742 285 C CB -1.099 26.639 27.740 -0.005 0.000 1.812 285 C HN 0.134 nan 8.230 nan 0.000 0.559 286 A N 1.399 124.265 122.820 0.077 0.000 2.289 286 A HA 0.644 4.964 4.320 -0.000 0.000 0.298 286 A C 0.086 177.818 177.584 0.246 0.000 1.208 286 A CA -0.377 51.746 52.037 0.144 0.000 0.845 286 A CB 0.173 19.251 19.000 0.129 0.000 1.125 286 A HN 0.685 nan 8.150 nan 0.000 0.517 287 R N 2.864 123.505 120.500 0.236 0.000 2.229 287 R HA 0.589 4.929 4.340 -0.000 0.000 0.332 287 R C -1.077 175.483 176.300 0.435 0.000 0.989 287 R CA -0.315 55.935 56.100 0.250 0.000 0.842 287 R CB 0.300 30.698 30.300 0.164 0.000 1.119 287 R HN 0.715 nan 8.270 nan 0.000 0.456 288 F N 0.532 120.630 119.950 0.246 0.000 2.631 288 F HA 0.429 4.956 4.527 -0.000 0.000 0.328 288 F C -0.827 174.941 175.800 -0.053 0.000 1.067 288 F CA -1.305 56.808 58.000 0.188 0.000 0.969 288 F CB 1.043 40.079 39.000 0.060 0.000 1.332 288 F HN 0.340 nan 8.300 nan 0.000 0.490 289 H N 1.350 120.112 119.070 -0.513 0.000 2.652 289 H HA 0.255 4.811 4.556 -0.000 0.000 0.298 289 H C -0.922 174.198 175.328 -0.346 0.000 1.076 289 H CA -0.052 55.410 56.048 -0.976 0.000 1.360 289 H CB 1.400 30.253 29.762 -1.515 0.000 1.421 289 H HN 0.753 nan 8.280 nan 0.000 0.464 290 S N 4.269 119.520 115.700 -0.748 0.000 2.439 290 S HA 0.030 4.500 4.470 -0.000 0.000 0.282 290 S C 1.303 175.682 174.600 -0.367 0.000 1.170 290 S CA -0.666 57.367 58.200 -0.280 0.000 1.054 290 S CB 0.524 63.640 63.200 -0.140 0.000 0.956 290 S HN 0.839 nan 8.310 nan 0.000 0.490 291 Q N 4.332 124.087 119.800 -0.075 0.000 2.245 291 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 291 Q C 1.717 177.692 176.000 -0.041 0.000 0.955 291 Q CA 0.597 56.404 55.803 0.008 0.000 0.870 291 Q CB -0.406 28.377 28.738 0.075 0.000 0.945 291 Q HN 0.644 nan 8.270 nan 0.000 0.461 292 L N 0.281 121.476 121.223 -0.047 0.000 2.083 292 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 292 L C 1.079 177.724 176.870 -0.375 0.000 1.083 292 L CA 1.770 56.498 54.840 -0.185 0.000 0.752 292 L CB -0.311 41.654 42.059 -0.156 0.000 0.899 292 L HN 0.181 nan 8.230 nan 0.000 0.433 293 Y N -1.402 118.850 120.300 -0.081 0.000 2.481 293 Y HA 0.249 4.799 4.550 -0.000 0.000 0.247 293 Y C 0.546 176.373 175.900 -0.122 0.000 1.151 293 Y CA -0.445 57.608 58.100 -0.079 0.000 1.238 293 Y CB -0.019 38.393 38.460 -0.079 0.000 1.179 293 Y HN 0.153 nan 8.280 nan 0.000 0.524 294 D N 1.990 122.340 120.400 -0.084 0.000 2.735 294 D HA -0.233 4.407 4.640 -0.000 0.000 0.235 294 D C -0.137 176.074 176.300 -0.148 0.000 1.175 294 D CA 1.092 55.035 54.000 -0.096 0.000 0.683 294 D CB -0.505 40.326 40.800 0.052 0.000 1.008 294 D HN 0.705 nan 8.370 nan 0.000 0.416 295 R N -0.902 119.297 120.500 -0.502 0.000 2.728 295 R HA 0.554 4.893 4.340 -0.000 0.000 0.274 295 R C -1.340 174.663 176.300 -0.494 0.000 1.032 295 R CA -1.166 54.763 56.100 -0.287 0.000 0.866 295 R CB 0.202 30.471 30.300 -0.052 0.000 1.263 295 R HN -0.012 nan 8.270 nan 0.000 0.475 296 W N 2.233 123.445 121.300 -0.146 0.000 2.311 296 W HA 0.493 5.152 4.660 -0.000 0.000 0.310 296 W C 0.239 176.600 176.519 -0.263 0.000 1.274 296 W CA 0.023 57.261 57.345 -0.178 0.000 1.215 296 W CB 1.586 31.020 29.460 -0.043 0.000 1.227 296 W HN 0.546 nan 8.180 nan 0.000 0.523 297 V N 1.258 120.997 119.914 -0.292 0.000 3.130 297 V HA 0.723 4.843 4.120 -0.000 0.000 0.310 297 V C -1.041 174.859 176.094 -0.323 0.000 1.158 297 V CA -1.877 60.230 62.300 -0.321 0.000 1.029 297 V CB 2.196 33.758 31.823 -0.436 0.000 1.057 297 V HN 0.555 nan 8.190 nan 0.000 0.436 298 R N 1.660 122.078 120.500 -0.136 0.000 2.483 298 R HA 0.751 5.091 4.340 -0.000 0.000 0.303 298 R C -1.685 174.623 176.300 0.014 0.000 0.987 298 R CA -0.613 55.489 56.100 0.004 0.000 0.881 298 R CB 1.580 31.893 30.300 0.022 0.000 1.177 298 R HN 0.909 nan 8.270 nan 0.000 0.451 299 I N 3.274 123.913 120.570 0.115 0.000 2.441 299 I HA 0.271 4.441 4.170 -0.000 0.000 0.295 299 I C -0.253 175.856 176.117 -0.013 0.000 0.994 299 I CA -0.740 60.587 61.300 0.045 0.000 1.144 299 I CB 2.199 40.272 38.000 0.121 0.000 1.314 299 I HN 0.561 nan 8.210 nan 0.000 0.445 300 E N 5.143 125.281 120.200 -0.103 0.000 2.267 300 E HA 0.348 4.698 4.350 -0.000 0.000 0.241 300 E C -0.879 175.588 176.600 -0.222 0.000 0.950 300 E CA -0.346 55.969 56.400 -0.141 0.000 0.776 300 E CB 1.090 30.699 29.700 -0.151 0.000 1.207 300 E HN 0.660 nan 8.360 nan 0.000 0.436 301 S N -0.459 115.131 115.700 -0.184 0.000 2.588 301 S HA 0.250 4.720 4.470 -0.000 0.000 0.269 301 S C 0.481 174.976 174.600 -0.176 0.000 1.157 301 S CA -0.821 57.239 58.200 -0.233 0.000 0.824 301 S CB 1.320 64.385 63.200 -0.225 0.000 1.126 301 S HN 0.071 nan 8.310 nan 0.000 0.464 302 V N 1.603 121.406 119.914 -0.184 0.000 2.307 302 V HA 0.023 4.143 4.120 -0.000 0.000 0.245 302 V C -0.969 175.072 176.094 -0.089 0.000 1.045 302 V CA 1.828 64.088 62.300 -0.067 0.000 1.024 302 V CB -1.616 30.268 31.823 0.102 0.000 0.651 302 V HN 0.748 nan 8.190 nan 0.000 0.449 303 P HA -0.174 nan 4.420 nan 0.000 0.215 303 P C 1.583 178.794 177.300 -0.148 0.000 1.153 303 P CA 1.649 64.572 63.100 -0.295 0.000 0.853 303 P CB -0.174 30.963 31.700 -0.937 0.000 0.788 304 N N -0.332 118.283 118.700 -0.142 0.000 2.120 304 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 304 N C 1.614 177.071 175.510 -0.089 0.000 1.024 304 N CA 1.481 54.479 53.050 -0.086 0.000 0.852 304 N CB -0.293 38.166 38.487 -0.046 0.000 1.003 304 N HN -0.025 nan 8.380 nan 0.000 0.424 305 A N 1.630 124.403 122.820 -0.077 0.000 1.902 305 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 305 A C 2.420 179.973 177.584 -0.051 0.000 1.181 305 A CA 0.836 52.835 52.037 -0.064 0.000 0.623 305 A CB -0.665 18.302 19.000 -0.054 0.000 0.818 305 A HN 0.318 nan 8.150 nan 0.000 0.443 306 L N -0.865 120.339 121.223 -0.033 0.000 2.017 306 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 306 L C 2.703 179.563 176.870 -0.016 0.000 1.073 306 L CA 1.952 56.787 54.840 -0.008 0.000 0.745 306 L CB -0.627 41.446 42.059 0.024 0.000 0.894 306 L HN 0.625 nan 8.230 nan 0.000 0.432 307 E N 0.142 120.328 120.200 -0.023 0.000 2.038 307 E HA -0.282 4.068 4.350 -0.000 0.000 0.195 307 E C 2.206 178.760 176.600 -0.076 0.000 1.000 307 E CA 1.534 57.916 56.400 -0.031 0.000 0.803 307 E CB -0.023 29.660 29.700 -0.028 0.000 0.750 307 E HN 0.495 nan 8.360 nan 0.000 0.448 308 Q N -0.204 119.524 119.800 -0.120 0.000 2.084 308 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 308 Q C 2.227 178.171 176.000 -0.094 0.000 0.978 308 Q CA 1.274 56.989 55.803 -0.147 0.000 0.844 308 Q CB -0.149 28.476 28.738 -0.188 0.000 0.898 308 Q HN 0.378 nan 8.270 nan 0.000 0.426 309 A N 1.166 123.944 122.820 -0.069 0.000 1.930 309 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 309 A C 1.993 179.552 177.584 -0.042 0.000 1.175 309 A CA 1.231 53.236 52.037 -0.053 0.000 0.627 309 A CB -0.305 18.673 19.000 -0.037 0.000 0.815 309 A HN 0.189 nan 8.150 nan 0.000 0.443 310 R N -0.604 119.878 120.500 -0.030 0.000 2.115 310 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 310 R C 2.289 178.576 176.300 -0.021 0.000 1.100 310 R CA 1.442 57.533 56.100 -0.015 0.000 0.980 310 R CB -0.183 30.116 30.300 -0.001 0.000 0.875 310 R HN 0.593 nan 8.270 nan 0.000 0.445 311 K N 1.037 121.414 120.400 -0.037 0.000 2.057 311 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 311 K C 1.919 178.501 176.600 -0.029 0.000 1.050 311 K CA 1.199 57.464 56.287 -0.038 0.000 0.935 311 K CB 0.019 32.479 32.500 -0.067 0.000 0.715 311 K HN 0.090 nan 8.250 nan 0.000 0.439 312 I N 1.011 121.555 120.570 -0.043 0.000 2.179 312 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 312 I C 2.484 178.573 176.117 -0.046 0.000 1.088 312 I CA 1.206 62.479 61.300 -0.044 0.000 1.357 312 I CB -0.410 37.549 38.000 -0.069 0.000 1.051 312 I HN 0.271 nan 8.210 nan 0.000 0.409 313 A N 0.780 123.569 122.820 -0.051 0.000 1.908 313 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 313 A C 2.533 180.121 177.584 0.008 0.000 1.181 313 A CA 2.003 54.012 52.037 -0.046 0.000 0.627 313 A CB -0.814 18.167 19.000 -0.032 0.000 0.818 313 A HN 0.457 nan 8.150 nan 0.000 0.445 314 A N 0.076 122.905 122.820 0.015 0.000 1.858 314 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 314 A C 2.138 179.755 177.584 0.056 0.000 1.190 314 A CA 1.570 53.629 52.037 0.037 0.000 0.617 314 A CB -0.687 18.328 19.000 0.024 0.000 0.827 314 A HN 0.495 nan 8.150 nan 0.000 0.443 315 I N -0.147 120.452 120.570 0.049 0.000 2.163 315 I HA -0.271 3.899 4.170 -0.000 0.000 0.243 315 I C 2.172 178.348 176.117 0.098 0.000 1.085 315 I CA 1.264 62.610 61.300 0.077 0.000 1.347 315 I CB -0.385 37.664 38.000 0.082 0.000 1.044 315 I HN 0.270 nan 8.210 nan 0.000 0.408 316 L N -0.305 120.969 121.223 0.085 0.000 2.456 316 L HA -0.166 4.174 4.340 -0.000 0.000 0.224 316 L C 1.662 178.714 176.870 0.303 0.000 1.148 316 L CA 0.485 55.417 54.840 0.153 0.000 0.825 316 L CB -0.396 41.655 42.059 -0.013 0.000 0.937 316 L HN 0.412 nan 8.230 nan 0.000 0.450 317 C N 0.121 119.551 119.300 0.216 0.000 2.884 317 C HA 0.371 4.831 4.460 -0.000 0.000 0.287 317 C C 1.723 176.792 174.990 0.131 0.000 1.310 317 C CA -0.003 59.150 59.018 0.224 0.000 1.725 317 C CB -0.869 26.989 27.740 0.195 0.000 2.060 317 C HN 0.754 nan 8.230 nan 0.000 0.618 318 G N 1.963 110.831 108.800 0.114 0.000 2.203 318 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 318 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 318 G C -0.026 174.912 174.900 0.065 0.000 1.012 318 G CA 0.417 45.564 45.100 0.079 0.000 0.749 318 G HN 0.611 nan 8.290 nan 0.000 0.512 319 K N -1.046 119.395 120.400 0.067 0.000 2.211 319 K HA 0.678 4.998 4.320 -0.000 0.000 0.237 319 K C 0.047 176.675 176.600 0.046 0.000 1.002 319 K CA -0.869 55.449 56.287 0.052 0.000 0.885 319 K CB 2.480 35.010 32.500 0.050 0.000 1.136 319 K HN 0.162 nan 8.250 nan 0.000 0.448 320 V N 3.195 123.130 119.914 0.036 0.000 2.461 320 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 320 V C -2.290 173.816 176.094 0.020 0.000 1.047 320 V CA -1.769 60.548 62.300 0.029 0.000 0.955 320 V CB 0.751 32.588 31.823 0.023 0.000 0.988 320 V HN 0.574 nan 8.190 nan 0.000 0.471 321 P HA 0.336 nan 4.420 nan 0.000 0.274 321 P C -0.570 176.728 177.300 -0.004 0.000 1.237 321 P CA -0.356 62.743 63.100 -0.001 0.000 0.793 321 P CB 0.438 32.127 31.700 -0.019 0.000 0.977 322 R N 1.556 122.054 120.500 -0.004 0.000 2.594 322 R HA 0.118 4.458 4.340 -0.000 0.000 0.272 322 R C 0.116 176.413 176.300 -0.005 0.000 1.074 322 R CA -0.327 55.773 56.100 0.001 0.000 1.105 322 R CB 0.174 30.479 30.300 0.008 0.000 1.008 322 R HN 0.554 nan 8.270 nan 0.000 0.472 323 D N 1.993 122.393 120.400 -0.001 0.000 2.423 323 D HA -0.083 4.557 4.640 -0.000 0.000 0.238 323 D C 0.162 176.465 176.300 0.005 0.000 1.142 323 D CA 0.123 54.122 54.000 -0.002 0.000 0.884 323 D CB 0.534 41.334 40.800 0.001 0.000 1.199 323 D HN 0.481 nan 8.370 nan 0.000 0.438 324 E N -0.055 120.148 120.200 0.006 0.000 2.480 324 E HA 0.238 4.588 4.350 -0.000 0.000 0.258 324 E C -1.010 175.617 176.600 0.045 0.000 0.984 324 E CA -0.505 55.909 56.400 0.023 0.000 0.930 324 E CB 0.445 30.169 29.700 0.039 0.000 0.936 324 E HN 0.484 nan 8.360 nan 0.000 0.466 325 A N 3.770 126.632 122.820 0.070 0.000 2.306 325 A HA 0.661 4.981 4.320 -0.000 0.000 0.330 325 A C -0.210 177.466 177.584 0.153 0.000 1.146 325 A CA -0.156 51.939 52.037 0.098 0.000 0.827 325 A CB 1.289 20.362 19.000 0.122 0.000 1.178 325 A HN 0.842 nan 8.150 nan 0.000 0.490 326 A N 2.543 125.456 122.820 0.154 0.000 2.511 326 A HA 0.527 4.846 4.320 -0.000 0.000 0.242 326 A C -2.030 175.745 177.584 0.317 0.000 1.069 326 A CA -0.832 51.336 52.037 0.219 0.000 0.763 326 A CB -0.583 18.510 19.000 0.155 0.000 1.001 326 A HN 0.635 nan 8.150 nan 0.000 0.498 327 P HA 0.303 nan 4.420 nan 0.000 0.275 327 P C -0.600 176.968 177.300 0.447 0.000 1.228 327 P CA 0.052 63.346 63.100 0.323 0.000 0.786 327 P CB 0.621 32.467 31.700 0.244 0.000 0.927 328 W N 3.252 124.703 121.300 0.252 0.000 3.025 328 W HA 0.653 5.312 4.660 -0.000 0.000 0.343 328 W C -2.472 174.288 176.519 0.400 0.000 1.246 328 W CA -1.183 56.349 57.345 0.312 0.000 1.178 328 W CB 0.483 30.170 29.460 0.378 0.000 1.463 328 W HN 0.516 nan 8.180 nan 0.000 0.578 329 F N -0.027 120.102 119.950 0.298 0.000 2.817 329 F HA 0.826 5.353 4.527 -0.000 0.000 0.317 329 F C -1.909 174.047 175.800 0.260 0.000 1.168 329 F CA -1.691 56.309 58.000 0.000 0.000 0.911 329 F CB 0.848 39.700 39.000 -0.246 0.000 1.337 329 F HN 0.642 nan 8.300 nan 0.000 0.464 330 W N 0.476 121.750 121.300 -0.044 0.000 3.047 330 W HA 0.857 5.517 4.660 -0.000 0.000 0.341 330 W C -1.826 174.668 176.519 -0.041 0.000 1.225 330 W CA -1.161 56.081 57.345 -0.173 0.000 1.150 330 W CB 1.371 30.802 29.460 -0.049 0.000 1.470 330 W HN 0.824 nan 8.180 nan 0.000 0.578 331 S N 0.886 116.600 115.700 0.024 0.000 2.536 331 S HA 0.435 4.905 4.470 -0.000 0.000 0.271 331 S C -2.148 172.573 174.600 0.202 0.000 1.134 331 S CA -0.609 57.599 58.200 0.013 0.000 0.897 331 S CB 1.261 64.510 63.200 0.082 0.000 1.094 331 S HN 0.450 nan 8.310 nan 0.000 0.473 332 D N 3.059 123.564 120.400 0.176 0.000 2.425 332 D HA 0.451 5.091 4.640 -0.000 0.000 0.240 332 D C -0.871 175.486 176.300 0.095 0.000 1.080 332 D CA -0.084 54.017 54.000 0.169 0.000 0.836 332 D CB 1.602 42.508 40.800 0.177 0.000 1.125 332 D HN 0.496 nan 8.370 nan 0.000 0.525 333 Q N 1.413 121.269 119.800 0.093 0.000 2.274 333 Q HA 0.276 4.616 4.340 -0.000 0.000 0.268 333 Q C -0.760 175.226 176.000 -0.022 0.000 1.015 333 Q CA -0.875 54.894 55.803 -0.057 0.000 0.775 333 Q CB 2.285 31.077 28.738 0.090 0.000 1.256 333 Q HN 0.455 nan 8.270 nan 0.000 0.442 334 Y N 1.240 121.557 120.300 0.028 0.000 3.108 334 Y HA -0.350 4.200 4.550 -0.000 0.000 0.208 334 Y C 0.122 176.031 175.900 0.015 0.000 1.245 334 Y CA 0.892 58.988 58.100 -0.006 0.000 1.171 334 Y CB -1.969 36.451 38.460 -0.066 0.000 1.331 334 Y HN 0.865 nan 8.280 nan 0.000 0.534 335 E N -2.336 117.931 120.200 0.112 0.000 3.065 335 E HA -0.276 4.074 4.350 -0.000 0.000 0.277 335 E C -0.059 176.592 176.600 0.084 0.000 1.008 335 E CA 0.941 57.392 56.400 0.084 0.000 0.864 335 E CB -1.001 28.742 29.700 0.071 0.000 1.439 335 E HN 0.639 nan 8.360 nan 0.000 0.445 336 I N 1.005 121.644 120.570 0.115 0.000 2.365 336 I HA 0.191 4.361 4.170 -0.000 0.000 0.291 336 I C 1.265 177.429 176.117 0.079 0.000 1.004 336 I CA -0.071 61.291 61.300 0.102 0.000 1.311 336 I CB 1.235 39.335 38.000 0.166 0.000 1.401 336 I HN 0.041 nan 8.210 nan 0.000 0.491 337 G N 7.846 116.656 108.800 0.017 0.000 2.519 337 G HA2 0.452 4.412 3.960 -0.000 0.000 0.306 337 G HA3 0.452 4.412 3.960 -0.000 0.000 0.306 337 G C -0.351 174.522 174.900 -0.046 0.000 0.965 337 G CA -0.402 44.688 45.100 -0.015 0.000 1.291 337 G HN 0.457 nan 8.290 nan 0.000 0.450 338 L N 2.854 124.092 121.223 0.025 0.000 2.265 338 L HA 0.446 4.786 4.340 -0.000 0.000 0.289 338 L C 0.187 176.990 176.870 -0.113 0.000 1.033 338 L CA -0.414 54.428 54.840 0.002 0.000 0.814 338 L CB 1.206 43.376 42.059 0.184 0.000 1.203 338 L HN 0.332 nan 8.230 nan 0.000 0.423 339 K N 4.730 124.953 120.400 -0.295 0.000 2.426 339 K HA 0.678 4.998 4.320 -0.000 0.000 0.254 339 K C -1.278 175.054 176.600 -0.446 0.000 0.936 339 K CA -0.804 55.137 56.287 -0.578 0.000 0.801 339 K CB 2.501 34.222 32.500 -1.298 0.000 1.139 339 K HN 0.326 nan 8.250 nan 0.000 0.424 340 M N 2.174 121.528 119.600 -0.409 0.000 2.311 340 M HA 0.386 4.866 4.480 -0.000 0.000 0.325 340 M C -0.849 175.593 176.300 0.236 0.000 1.061 340 M CA -0.889 54.290 55.300 -0.201 0.000 0.957 340 M CB 1.975 34.164 32.600 -0.686 0.000 1.646 340 M HN 0.357 nan 8.290 nan 0.000 0.434 341 V N 2.861 122.973 119.914 0.330 0.000 2.656 341 V HA 0.998 5.118 4.120 -0.000 0.000 0.307 341 V C -0.024 176.194 176.094 0.206 0.000 1.051 341 V CA 0.647 63.142 62.300 0.324 0.000 0.893 341 V CB 1.351 33.225 31.823 0.085 0.000 0.999 341 V HN 1.175 nan 8.190 nan 0.000 0.426 342 G N 4.860 113.808 108.800 0.247 0.000 2.757 342 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.638 342 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.638 342 G C -1.223 173.724 174.900 0.079 0.000 1.344 342 G CA -0.244 45.003 45.100 0.246 0.000 0.855 342 G HN 1.264 nan 8.290 nan 0.000 0.537 343 L N 0.816 121.971 121.223 -0.112 0.000 2.325 343 L HA 0.472 4.812 4.340 -0.000 0.000 0.281 343 L C 1.656 178.445 176.870 -0.134 0.000 1.004 343 L CA -0.204 54.478 54.840 -0.263 0.000 0.823 343 L CB 1.904 43.581 42.059 -0.637 0.000 1.236 343 L HN 0.925 nan 8.230 nan 0.000 0.415 344 S N 0.017 115.642 115.700 -0.126 0.000 2.489 344 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 344 S C 0.753 175.471 174.600 0.196 0.000 0.995 344 S CA 0.014 58.171 58.200 -0.072 0.000 0.934 344 S CB -0.080 62.826 63.200 -0.489 0.000 0.771 344 S HN 0.674 nan 8.310 nan 0.000 0.522 345 E N 1.915 122.165 120.200 0.083 0.000 2.694 345 E HA 0.144 4.494 4.350 -0.000 0.000 0.250 345 E C 1.068 177.743 176.600 0.125 0.000 0.963 345 E CA 1.176 57.633 56.400 0.095 0.000 0.949 345 E CB -0.228 29.473 29.700 0.002 0.000 0.911 345 E HN 0.658 nan 8.360 nan 0.000 0.500 346 G N 4.081 112.939 108.800 0.097 0.000 2.159 346 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.227 346 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.227 346 G C -0.034 174.919 174.900 0.089 0.000 0.986 346 G CA 0.244 45.380 45.100 0.060 0.000 0.651 346 G HN 0.699 nan 8.290 nan 0.000 0.523 347 Y N 0.755 121.141 120.300 0.144 0.000 2.397 347 Y HA 0.515 5.065 4.550 -0.000 0.000 0.335 347 Y C 0.823 176.801 175.900 0.130 0.000 1.213 347 Y CA -0.564 57.640 58.100 0.174 0.000 1.391 347 Y CB 0.821 39.454 38.460 0.288 0.000 1.293 347 Y HN 0.141 nan 8.280 nan 0.000 0.557 348 D N 0.630 121.130 120.400 0.165 0.000 2.433 348 D HA 0.182 4.822 4.640 -0.000 0.000 0.211 348 D C -0.393 176.012 176.300 0.175 0.000 1.114 348 D CA -0.419 53.616 54.000 0.059 0.000 0.837 348 D CB 0.273 41.101 40.800 0.047 0.000 0.984 348 D HN 0.740 nan 8.370 nan 0.000 0.505 349 R N -0.257 120.465 120.500 0.370 0.000 3.112 349 R HA 0.447 4.787 4.340 -0.000 0.000 0.271 349 R C -1.768 174.633 176.300 0.167 0.000 1.008 349 R CA -1.094 55.160 56.100 0.257 0.000 0.903 349 R CB 0.239 30.614 30.300 0.126 0.000 1.267 349 R HN 0.112 nan 8.270 nan 0.000 0.514 350 I N -0.532 120.042 120.570 0.008 0.000 2.740 350 I HA 0.722 4.892 4.170 -0.000 0.000 0.303 350 I C -0.977 175.093 176.117 -0.078 0.000 1.044 350 I CA -1.463 59.730 61.300 -0.179 0.000 1.064 350 I CB 2.270 40.000 38.000 -0.449 0.000 1.249 350 I HN 0.573 nan 8.210 nan 0.000 0.433 351 I N 4.842 125.391 120.570 -0.035 0.000 2.447 351 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 351 I C -0.741 175.425 176.117 0.083 0.000 1.023 351 I CA -0.970 60.343 61.300 0.021 0.000 1.083 351 I CB 2.112 40.126 38.000 0.023 0.000 1.245 351 I HN 0.342 nan 8.210 nan 0.000 0.434 352 V N 6.664 126.584 119.914 0.011 0.000 2.407 352 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 352 V C 0.304 176.439 176.094 0.069 0.000 1.037 352 V CA -0.559 61.743 62.300 0.003 0.000 0.900 352 V CB 1.450 33.191 31.823 -0.136 0.000 0.983 352 V HN 0.658 nan 8.190 nan 0.000 0.459 353 R N 3.705 124.309 120.500 0.172 0.000 2.247 353 R HA 0.608 4.948 4.340 -0.000 0.000 0.329 353 R C 0.215 176.605 176.300 0.149 0.000 1.014 353 R CA 0.638 56.845 56.100 0.178 0.000 0.907 353 R CB 0.694 31.196 30.300 0.338 0.000 1.146 353 R HN 1.106 nan 8.270 nan 0.000 0.499 354 G N 1.183 110.033 108.800 0.082 0.000 2.434 354 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.671 354 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.671 354 G C -1.296 173.615 174.900 0.019 0.000 1.280 354 G CA -0.441 44.711 45.100 0.085 0.000 0.975 354 G HN 0.518 nan 8.290 nan 0.000 0.510 355 S N -1.104 114.613 115.700 0.028 0.000 2.508 355 S HA 0.582 5.052 4.470 -0.000 0.000 0.284 355 S C 1.545 176.070 174.600 -0.124 0.000 1.192 355 S CA -0.461 57.710 58.200 -0.048 0.000 1.070 355 S CB 0.924 64.120 63.200 -0.007 0.000 1.004 355 S HN 0.816 nan 8.310 nan 0.000 0.493 356 L N 3.860 124.892 121.223 -0.318 0.000 2.610 356 L HA 0.141 4.481 4.340 -0.000 0.000 0.232 356 L C 2.106 178.933 176.870 -0.072 0.000 1.149 356 L CA 0.490 55.032 54.840 -0.497 0.000 0.872 356 L CB -0.394 41.376 42.059 -0.482 0.000 0.992 356 L HN 0.806 nan 8.230 nan 0.000 0.447 357 A N -0.842 121.969 122.820 -0.014 0.000 2.278 357 A HA 0.090 4.410 4.320 -0.000 0.000 0.212 357 A C 0.651 178.310 177.584 0.125 0.000 1.213 357 A CA 0.204 52.263 52.037 0.036 0.000 0.840 357 A CB -0.003 18.990 19.000 -0.011 0.000 0.866 357 A HN 0.426 nan 8.150 nan 0.000 0.489 358 Q N -0.347 119.572 119.800 0.198 0.000 2.340 358 Q HA 0.358 4.698 4.340 -0.000 0.000 0.276 358 Q C -3.057 173.117 176.000 0.290 0.000 1.048 358 Q CA -2.108 53.823 55.803 0.214 0.000 0.832 358 Q CB 2.457 31.272 28.738 0.128 0.000 1.373 358 Q HN -0.011 nan 8.270 nan 0.000 0.409 359 P HA 0.155 nan 4.420 nan 0.000 0.237 359 P C -1.518 175.702 177.300 -0.133 0.000 1.788 359 P CA 0.496 63.633 63.100 0.062 0.000 1.061 359 P CB -0.082 31.724 31.700 0.177 0.000 1.967 360 D N 2.778 123.071 120.400 -0.178 0.000 2.668 360 D HA 0.269 4.909 4.640 -0.000 0.000 0.234 360 D C -1.150 175.130 176.300 -0.033 0.000 1.349 360 D CA -0.406 53.505 54.000 -0.149 0.000 0.889 360 D CB -0.086 40.703 40.800 -0.018 0.000 1.520 360 D HN 0.041 nan 8.370 nan 0.000 0.521 361 F N -0.786 119.086 119.950 -0.130 0.000 2.858 361 F HA 0.792 5.319 4.527 -0.000 0.000 0.319 361 F C -1.502 174.223 175.800 -0.124 0.000 1.166 361 F CA -0.999 56.932 58.000 -0.115 0.000 0.899 361 F CB 0.907 39.816 39.000 -0.151 0.000 1.332 361 F HN -0.077 nan 8.300 nan 0.000 0.461 362 S N 0.598 116.442 115.700 0.241 0.000 2.536 362 S HA 0.786 5.256 4.470 -0.000 0.000 0.287 362 S C -1.503 173.133 174.600 0.060 0.000 1.101 362 S CA -0.765 57.456 58.200 0.034 0.000 0.950 362 S CB 2.079 65.210 63.200 -0.114 0.000 1.056 362 S HN 0.637 nan 8.310 nan 0.000 0.481 363 V N 3.439 123.316 119.914 -0.062 0.000 2.378 363 V HA 0.497 4.617 4.120 -0.000 0.000 0.288 363 V C -1.267 174.699 176.094 -0.214 0.000 1.016 363 V CA -0.589 61.664 62.300 -0.077 0.000 0.840 363 V CB 0.628 32.429 31.823 -0.037 0.000 0.994 363 V HN 0.788 nan 8.190 nan 0.000 0.431 364 F N 4.162 124.078 119.950 -0.058 0.000 2.410 364 F HA 0.557 5.084 4.527 -0.000 0.000 0.349 364 F C -0.157 175.577 175.800 -0.111 0.000 1.117 364 F CA -0.572 57.437 58.000 0.016 0.000 1.104 364 F CB 0.899 39.911 39.000 0.021 0.000 1.122 364 F HN 0.376 nan 8.300 nan 0.000 0.483 365 Y N 4.190 124.563 120.300 0.122 0.000 2.353 365 Y HA 0.564 5.114 4.550 -0.000 0.000 0.340 365 Y C -0.564 175.438 175.900 0.169 0.000 0.972 365 Y CA -0.819 57.310 58.100 0.050 0.000 1.157 365 Y CB 0.785 39.217 38.460 -0.046 0.000 1.157 365 Y HN 0.319 nan 8.280 nan 0.000 0.495 366 L N 2.741 124.135 121.223 0.285 0.000 2.341 366 L HA 0.518 4.858 4.340 -0.000 0.000 0.267 366 L C -0.403 176.620 176.870 0.255 0.000 1.009 366 L CA -0.930 54.056 54.840 0.244 0.000 0.819 366 L CB 2.029 44.183 42.059 0.158 0.000 1.323 366 L HN 0.506 nan 8.230 nan 0.000 0.425 367 Q N 1.167 121.085 119.800 0.196 0.000 2.558 367 Q HA 0.520 4.859 4.340 -0.000 0.000 0.252 367 Q C 0.303 176.366 176.000 0.106 0.000 1.015 367 Q CA 0.423 56.319 55.803 0.156 0.000 0.720 367 Q CB 0.775 29.605 28.738 0.153 0.000 1.215 367 Q HN 0.859 nan 8.270 nan 0.000 0.500 368 G N 3.315 112.168 108.800 0.089 0.000 2.650 368 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.264 368 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.264 368 G C 0.132 175.066 174.900 0.057 0.000 1.263 368 G CA 0.288 45.424 45.100 0.061 0.000 0.960 368 G HN 0.629 nan 8.290 nan 0.000 0.548 369 D N 0.945 121.372 120.400 0.046 0.000 2.433 369 D HA 0.151 4.791 4.640 -0.000 0.000 0.211 369 D C 1.201 177.526 176.300 0.042 0.000 1.114 369 D CA -0.049 53.971 54.000 0.034 0.000 0.837 369 D CB 0.551 41.361 40.800 0.016 0.000 0.984 369 D HN 0.449 nan 8.370 nan 0.000 0.505 370 R N 1.522 122.057 120.500 0.059 0.000 2.308 370 R HA 0.301 4.641 4.340 -0.000 0.000 0.305 370 R C -0.609 175.757 176.300 0.109 0.000 1.053 370 R CA -0.264 55.875 56.100 0.065 0.000 0.957 370 R CB 0.964 31.298 30.300 0.056 0.000 1.022 370 R HN -0.281 nan 8.270 nan 0.000 0.461 371 V N 7.498 127.481 119.914 0.114 0.000 2.427 371 V HA 0.050 4.170 4.120 -0.000 0.000 0.268 371 V C 1.264 177.476 176.094 0.197 0.000 1.046 371 V CA 0.003 62.413 62.300 0.183 0.000 0.970 371 V CB 1.199 33.146 31.823 0.206 0.000 1.001 371 V HN 0.866 nan 8.190 nan 0.000 0.476 372 L N 3.982 125.365 121.223 0.267 0.000 2.221 372 L HA 0.466 4.806 4.340 -0.000 0.000 0.202 372 L C 0.966 178.035 176.870 0.331 0.000 1.074 372 L CA 1.094 56.134 54.840 0.333 0.000 0.795 372 L CB 0.023 42.299 42.059 0.361 0.000 0.960 372 L HN 0.766 nan 8.230 nan 0.000 0.458 373 A N -0.989 121.996 122.820 0.276 0.000 2.599 373 A HA 0.699 5.019 4.320 -0.000 0.000 0.290 373 A C -1.611 176.105 177.584 0.221 0.000 1.101 373 A CA -0.418 51.730 52.037 0.185 0.000 0.674 373 A CB 1.734 20.740 19.000 0.010 0.000 1.277 373 A HN -0.220 nan 8.150 nan 0.000 0.419 374 V N 1.444 121.426 119.914 0.114 0.000 2.668 374 V HA 0.449 4.569 4.120 -0.000 0.000 0.304 374 V C -1.653 174.472 176.094 0.052 0.000 1.071 374 V CA -0.743 61.559 62.300 0.003 0.000 0.894 374 V CB 2.075 33.740 31.823 -0.263 0.000 1.008 374 V HN 0.848 nan 8.190 nan 0.000 0.425 375 D N 2.839 123.304 120.400 0.107 0.000 2.280 375 D HA 0.563 5.203 4.640 -0.000 0.000 0.236 375 D C 0.183 176.481 176.300 -0.002 0.000 1.082 375 D CA 0.011 54.071 54.000 0.101 0.000 0.834 375 D CB 2.026 42.979 40.800 0.256 0.000 1.100 375 D HN 0.739 nan 8.370 nan 0.000 0.486 376 T N -1.413 113.104 114.554 -0.062 0.000 2.855 376 T HA 0.615 4.965 4.350 -0.000 0.000 0.281 376 T C -0.287 174.245 174.700 -0.280 0.000 1.007 376 T CA -0.810 61.197 62.100 -0.155 0.000 1.009 376 T CB 1.360 70.191 68.868 -0.062 0.000 0.983 376 T HN -0.012 nan 8.240 nan 0.000 0.455 377 V N 4.180 123.795 119.914 -0.497 0.000 2.349 377 V HA 0.399 4.519 4.120 -0.000 0.000 0.284 377 V C -0.024 175.819 176.094 -0.419 0.000 1.014 377 V CA -0.913 61.036 62.300 -0.584 0.000 0.826 377 V CB 0.447 31.517 31.823 -1.254 0.000 1.009 377 V HN 1.064 nan 8.190 nan 0.000 0.431 378 N N 4.078 122.636 118.700 -0.237 0.000 2.754 378 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 378 N C 0.181 175.611 175.510 -0.133 0.000 1.093 378 N CA 0.796 53.754 53.050 -0.154 0.000 0.699 378 N CB -0.538 37.874 38.487 -0.125 0.000 1.016 378 N HN 0.744 nan 8.380 nan 0.000 0.552 379 R N 0.050 120.470 120.500 -0.134 0.000 2.644 379 R HA 0.153 4.493 4.340 -0.000 0.000 0.271 379 R C -1.617 174.665 176.300 -0.029 0.000 1.687 379 R CA -1.163 54.892 56.100 -0.075 0.000 1.655 379 R CB 1.395 31.652 30.300 -0.072 0.000 1.285 379 R HN 0.054 nan 8.270 nan 0.000 0.643 380 P HA -0.143 nan 4.420 nan 0.000 0.216 380 P C 1.293 178.621 177.300 0.047 0.000 1.150 380 P CA 1.048 64.146 63.100 -0.002 0.000 0.837 380 P CB 0.450 32.122 31.700 -0.047 0.000 0.786 381 V N 1.248 121.170 119.914 0.012 0.000 2.323 381 V HA -0.174 3.946 4.120 -0.000 0.000 0.244 381 V C 2.582 178.682 176.094 0.010 0.000 1.041 381 V CA 1.801 64.103 62.300 0.002 0.000 1.025 381 V CB -1.288 30.532 31.823 -0.006 0.000 0.656 381 V HN 0.132 nan 8.190 nan 0.000 0.451 382 E N -0.487 119.731 120.200 0.030 0.000 2.265 382 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 382 E C 1.994 178.610 176.600 0.027 0.000 0.996 382 E CA 1.265 57.691 56.400 0.044 0.000 0.832 382 E CB -0.193 29.547 29.700 0.066 0.000 0.756 382 E HN 0.638 nan 8.360 nan 0.000 0.491 383 F N 2.320 122.205 119.950 -0.109 0.000 2.084 383 F HA -0.126 4.401 4.527 -0.000 0.000 0.296 383 F C 1.677 177.382 175.800 -0.159 0.000 1.111 383 F CA 1.613 59.524 58.000 -0.148 0.000 1.224 383 F CB -0.387 38.504 39.000 -0.181 0.000 0.991 383 F HN -0.109 nan 8.300 nan 0.000 0.471 384 N N -0.307 118.237 118.700 -0.260 0.000 2.104 384 N HA -0.229 4.511 4.740 -0.000 0.000 0.190 384 N C 1.762 177.105 175.510 -0.279 0.000 1.024 384 N CA 1.450 54.289 53.050 -0.352 0.000 0.853 384 N CB -0.199 38.189 38.487 -0.166 0.000 1.008 384 N HN 0.495 nan 8.380 nan 0.000 0.424 385 Q N 0.137 119.844 119.800 -0.157 0.000 2.119 385 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 385 Q C 1.945 177.889 176.000 -0.093 0.000 0.972 385 Q CA 1.010 56.758 55.803 -0.093 0.000 0.847 385 Q CB 0.081 28.805 28.738 -0.024 0.000 0.903 385 Q HN 0.271 nan 8.270 nan 0.000 0.433 386 S N 0.739 116.363 115.700 -0.126 0.000 2.402 386 S HA -0.092 4.378 4.470 -0.000 0.000 0.229 386 S C 1.625 176.126 174.600 -0.164 0.000 1.021 386 S CA 0.872 59.021 58.200 -0.084 0.000 0.974 386 S CB -0.003 63.136 63.200 -0.103 0.000 0.800 386 S HN 0.275 nan 8.310 nan 0.000 0.484 387 K N 1.192 121.387 120.400 -0.341 0.000 2.063 387 K HA -0.175 4.144 4.320 -0.000 0.000 0.208 387 K C 2.426 178.933 176.600 -0.154 0.000 1.048 387 K CA 1.302 57.403 56.287 -0.310 0.000 0.928 387 K CB -0.192 32.032 32.500 -0.460 0.000 0.713 387 K HN 0.384 nan 8.250 nan 0.000 0.442 388 Q N 1.042 120.758 119.800 -0.139 0.000 2.084 388 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 388 Q C 2.056 178.028 176.000 -0.046 0.000 0.978 388 Q CA 1.378 57.132 55.803 -0.081 0.000 0.844 388 Q CB -0.047 28.646 28.738 -0.074 0.000 0.898 388 Q HN 0.309 nan 8.270 nan 0.000 0.426 389 I N 0.618 121.171 120.570 -0.028 0.000 2.208 389 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 389 I C 2.059 178.179 176.117 0.007 0.000 1.097 389 I CA 0.714 62.018 61.300 0.006 0.000 1.363 389 I CB -0.237 37.797 38.000 0.058 0.000 1.051 389 I HN 0.313 nan 8.210 nan 0.000 0.413 390 I N 0.287 120.861 120.570 0.006 0.000 2.193 390 I HA -0.183 3.987 4.170 -0.000 0.000 0.240 390 I C 2.625 178.724 176.117 -0.029 0.000 1.084 390 I CA 1.653 62.958 61.300 0.008 0.000 1.365 390 I CB -1.772 36.260 38.000 0.055 0.000 1.064 390 I HN 0.202 nan 8.210 nan 0.000 0.410 391 T N 1.007 115.547 114.554 -0.023 0.000 2.720 391 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 391 T C 1.204 175.883 174.700 -0.035 0.000 1.037 391 T CA 1.471 63.556 62.100 -0.024 0.000 1.144 391 T CB -0.194 68.662 68.868 -0.018 0.000 0.864 391 T HN 0.281 nan 8.240 nan 0.000 0.444 392 D N 0.275 120.655 120.400 -0.033 0.000 2.340 392 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 392 D C 0.476 176.757 176.300 -0.031 0.000 1.081 392 D CA -0.001 53.981 54.000 -0.030 0.000 0.842 392 D CB 0.122 40.907 40.800 -0.026 0.000 0.934 392 D HN -0.000 nan 8.370 nan 0.000 0.511 393 R N 0.714 121.191 120.500 -0.038 0.000 3.333 393 R HA -0.167 4.173 4.340 -0.000 0.000 0.256 393 R C -0.459 175.829 176.300 -0.020 0.000 1.010 393 R CA 0.214 56.292 56.100 -0.036 0.000 0.680 393 R CB -2.279 27.994 30.300 -0.045 0.000 1.102 393 R HN 0.352 nan 8.270 nan 0.000 0.440 394 L N 2.264 123.478 121.223 -0.014 0.000 2.410 394 L HA 0.139 4.479 4.340 -0.000 0.000 0.273 394 L C -0.830 176.035 176.870 -0.008 0.000 1.152 394 L CA -1.279 53.554 54.840 -0.012 0.000 0.855 394 L CB 0.443 42.495 42.059 -0.011 0.000 1.129 394 L HN -0.057 nan 8.230 nan 0.000 0.463 395 P HA 0.037 nan 4.420 nan 0.000 0.225 395 P C -0.120 177.168 177.300 -0.020 0.000 1.768 395 P CA -0.161 62.931 63.100 -0.012 0.000 0.943 395 P CB -0.351 31.342 31.700 -0.012 0.000 1.936 396 V N -1.236 118.663 119.914 -0.025 0.000 2.763 396 V HA 0.171 4.291 4.120 -0.000 0.000 0.306 396 V C 0.617 176.675 176.094 -0.059 0.000 1.059 396 V CA -0.632 61.640 62.300 -0.047 0.000 1.138 396 V CB 0.089 31.874 31.823 -0.063 0.000 0.940 396 V HN 0.085 nan 8.190 nan 0.000 0.489 397 E N 6.103 126.263 120.200 -0.067 0.000 2.292 397 E HA 0.239 4.589 4.350 -0.000 0.000 0.265 397 E C -1.870 174.673 176.600 -0.095 0.000 1.093 397 E CA -1.914 54.446 56.400 -0.066 0.000 0.922 397 E CB 1.082 30.747 29.700 -0.057 0.000 1.001 397 E HN 0.581 nan 8.360 nan 0.000 0.444 398 P HA -0.159 nan 4.420 nan 0.000 0.216 398 P C 0.311 177.550 177.300 -0.101 0.000 1.153 398 P CA 1.100 64.143 63.100 -0.095 0.000 0.858 398 P CB 0.212 31.884 31.700 -0.046 0.000 0.789 399 N N -1.073 117.584 118.700 -0.071 0.000 2.585 399 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 399 N C 1.307 176.773 175.510 -0.073 0.000 1.102 399 N CA 0.845 53.858 53.050 -0.061 0.000 0.920 399 N CB -0.345 38.117 38.487 -0.041 0.000 0.963 399 N HN 0.293 nan 8.380 nan 0.000 0.447 400 L N -0.496 120.667 121.223 -0.099 0.000 2.672 400 L HA 0.225 4.564 4.340 -0.000 0.000 0.236 400 L C 1.767 178.547 176.870 -0.150 0.000 1.092 400 L CA 0.014 54.794 54.840 -0.100 0.000 0.887 400 L CB 0.150 42.158 42.059 -0.084 0.000 1.168 400 L HN -0.004 nan 8.230 nan 0.000 0.502 401 L N 0.241 121.318 121.223 -0.242 0.000 2.081 401 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 401 L C 2.264 178.970 176.870 -0.274 0.000 1.080 401 L CA 1.667 56.241 54.840 -0.443 0.000 0.754 401 L CB -0.732 40.856 42.059 -0.784 0.000 0.893 401 L HN 0.359 nan 8.230 nan 0.000 0.433 402 G N -1.906 106.807 108.800 -0.144 0.000 2.985 402 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.209 402 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.209 402 G C 0.242 175.127 174.900 -0.025 0.000 1.165 402 G CA -0.190 44.885 45.100 -0.042 0.000 0.776 402 G HN 0.148 nan 8.290 nan 0.000 0.541 403 D N 0.921 121.295 120.400 -0.044 0.000 2.393 403 D HA 0.143 4.783 4.640 -0.000 0.000 0.232 403 D C 1.063 177.355 176.300 -0.013 0.000 1.192 403 D CA -0.224 53.760 54.000 -0.027 0.000 0.882 403 D CB 0.645 41.423 40.800 -0.036 0.000 1.038 403 D HN 0.279 nan 8.370 nan 0.000 0.499 404 E N 1.096 121.297 120.200 0.003 0.000 2.478 404 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 404 E C 1.523 178.126 176.600 0.006 0.000 1.046 404 E CA 0.343 56.751 56.400 0.014 0.000 0.870 404 E CB 0.242 29.956 29.700 0.023 0.000 0.818 404 E HN 0.442 nan 8.360 nan 0.000 0.527 405 S N -0.240 115.458 115.700 -0.002 0.000 2.562 405 S HA 0.025 4.495 4.470 -0.000 0.000 0.221 405 S C 0.794 175.390 174.600 -0.008 0.000 0.975 405 S CA -0.208 57.989 58.200 -0.004 0.000 0.918 405 S CB 0.300 63.496 63.200 -0.007 0.000 0.772 405 S HN -0.085 nan 8.310 nan 0.000 0.531 406 V N 3.624 123.531 119.914 -0.011 0.000 2.313 406 V HA 0.427 4.547 4.120 -0.000 0.000 0.278 406 V C -2.600 173.487 176.094 -0.012 0.000 1.017 406 V CA -2.125 60.166 62.300 -0.016 0.000 0.823 406 V CB 0.883 32.690 31.823 -0.027 0.000 1.010 406 V HN 0.156 nan 8.190 nan 0.000 0.443 407 P HA 0.025 nan 4.420 nan 0.000 0.264 407 P C 0.774 178.072 177.300 -0.003 0.000 1.183 407 P CA -0.151 62.949 63.100 -0.001 0.000 0.763 407 P CB 0.743 32.442 31.700 -0.002 0.000 0.807 408 L N 4.494 125.724 121.223 0.012 0.000 2.127 408 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 408 L C 2.128 178.999 176.870 0.002 0.000 1.089 408 L CA 1.882 56.730 54.840 0.014 0.000 0.757 408 L CB -0.865 41.233 42.059 0.066 0.000 0.899 408 L HN 0.353 nan 8.230 nan 0.000 0.434 409 K N -0.813 119.587 120.400 0.000 0.000 2.063 409 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 409 K C 1.815 178.408 176.600 -0.013 0.000 1.048 409 K CA 1.553 57.836 56.287 -0.008 0.000 0.928 409 K CB 0.023 32.518 32.500 -0.009 0.000 0.713 409 K HN 0.309 nan 8.250 nan 0.000 0.442 410 E N 0.671 120.862 120.200 -0.014 0.000 2.152 410 E HA -0.093 4.256 4.350 -0.000 0.000 0.192 410 E C 2.037 178.623 176.600 -0.023 0.000 0.983 410 E CA 0.702 57.092 56.400 -0.017 0.000 0.818 410 E CB -0.083 29.607 29.700 -0.016 0.000 0.758 410 E HN 0.445 nan 8.360 nan 0.000 0.467 411 I N 0.623 121.176 120.570 -0.029 0.000 2.252 411 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 411 I C 2.309 178.405 176.117 -0.034 0.000 1.102 411 I CA 0.852 62.128 61.300 -0.041 0.000 1.385 411 I CB -0.209 37.753 38.000 -0.063 0.000 1.064 411 I HN 0.032 nan 8.210 nan 0.000 0.414 412 I N 0.769 121.324 120.570 -0.025 0.000 2.252 412 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 412 I C 2.842 178.947 176.117 -0.020 0.000 1.102 412 I CA 1.227 62.515 61.300 -0.020 0.000 1.385 412 I CB -0.478 37.513 38.000 -0.015 0.000 1.064 412 I HN 0.162 nan 8.210 nan 0.000 0.414 413 A N 0.930 123.738 122.820 -0.019 0.000 1.883 413 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 413 A C 2.554 180.127 177.584 -0.018 0.000 1.186 413 A CA 2.120 54.147 52.037 -0.018 0.000 0.624 413 A CB -0.932 18.059 19.000 -0.016 0.000 0.822 413 A HN 0.441 nan 8.150 nan 0.000 0.444 414 A N -0.246 122.562 122.820 -0.020 0.000 1.902 414 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 414 A C 2.531 180.103 177.584 -0.019 0.000 1.181 414 A CA 2.258 54.283 52.037 -0.020 0.000 0.623 414 A CB -1.084 17.902 19.000 -0.023 0.000 0.818 414 A HN 1.128 nan 8.150 nan 0.000 0.443 415 A N -0.116 122.691 122.820 -0.022 0.000 1.902 415 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 415 A C 2.109 179.683 177.584 -0.017 0.000 1.181 415 A CA 1.940 53.965 52.037 -0.020 0.000 0.623 415 A CB -0.446 18.541 19.000 -0.022 0.000 0.818 415 A HN 0.567 nan 8.150 nan 0.000 0.443 416 K N -0.281 120.109 120.400 -0.017 0.000 2.057 416 K HA 0.021 4.341 4.320 -0.000 0.000 0.206 416 K C 2.225 178.817 176.600 -0.013 0.000 1.050 416 K CA 1.068 57.346 56.287 -0.015 0.000 0.935 416 K CB -0.309 32.182 32.500 -0.016 0.000 0.715 416 K HN 0.423 nan 8.250 nan 0.000 0.439 417 A N 1.392 124.204 122.820 -0.013 0.000 2.015 417 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 417 A C 2.035 179.613 177.584 -0.011 0.000 1.163 417 A CA 1.471 53.501 52.037 -0.012 0.000 0.646 417 A CB -0.345 18.648 19.000 -0.012 0.000 0.806 417 A HN 0.381 nan 8.150 nan 0.000 0.448 418 E N -0.060 120.133 120.200 -0.012 0.000 2.106 418 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 418 E C 1.836 178.430 176.600 -0.010 0.000 0.984 418 E CA 0.906 57.299 56.400 -0.011 0.000 0.806 418 E CB -0.179 29.513 29.700 -0.012 0.000 0.750 418 E HN 0.666 nan 8.360 nan 0.000 0.458 419 L N 0.223 121.440 121.223 -0.010 0.000 2.056 419 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 419 L C 2.523 179.388 176.870 -0.008 0.000 1.078 419 L CA 1.059 55.893 54.840 -0.009 0.000 0.749 419 L CB -0.232 41.821 42.059 -0.010 0.000 0.901 419 L HN 0.070 nan 8.230 nan 0.000 0.433 420 S N -1.319 114.376 115.700 -0.008 0.000 2.414 420 S HA -0.094 4.376 4.470 -0.000 0.000 0.227 420 S C 2.172 176.768 174.600 -0.007 0.000 1.022 420 S CA 1.107 59.303 58.200 -0.007 0.000 0.958 420 S CB 0.168 63.364 63.200 -0.008 0.000 0.797 420 S HN 0.274 nan 8.310 nan 0.000 0.493 421 S N 0.524 116.219 115.700 -0.007 0.000 2.387 421 S HA 0.467 4.937 4.470 -0.000 0.000 0.221 421 S C 0.820 175.417 174.600 -0.006 0.000 1.041 421 S CA 0.484 58.680 58.200 -0.006 0.000 0.959 421 S CB -0.055 63.141 63.200 -0.007 0.000 0.843 421 S HN 0.546 nan 8.310 nan 0.000 0.488 422 A N 0.000 122.816 122.820 -0.006 0.000 2.254 422 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 422 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 422 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 422 A HN 0.000 nan 8.150 nan 0.000 0.486