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 1w5c_1_D DATA FIRST_RESID 1 DATA SEQUENCE MTIAIGRAPA ERGWFDILDD WLKRDRFVFV GWSGILLFPC AYLALGGWLT DATA SEQUENCE GTTFVTSWYT HGLASSYLEG CNFLTVAVST PANSMGHSLL LLWGPEAQGD DATA SEQUENCE FTRWCQLGGL WTFIALHGAF GLIGFMLRQF EIARLVGVRP YNAIAFSAPI DATA SEQUENCE AVFVSVFLIY PLGQSSWFFA PSFGVAAIFR FLLFFQGFHN WTLNPFHMMG DATA SEQUENCE VAGVLGGALL CAIHGATVEN TLFQDGEGAS TFRAFNPTQA EETYSMVTAN DATA SEQUENCE RFWSQIFGIA FSNKRWLHFF MLFVPVTGLW MSAIGVVGLA LNLRSYDFIS DATA SEQUENCE QEIRAAEDPE FETFYTKNLL LNEGIRAWMA PQDQPHENFV FPEEVLPRGN 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.003 0.000 1.302 2 T N 0.719 115.274 114.554 0.003 0.000 2.855 2 T HA 0.694 5.045 4.350 0.001 0.000 0.290 2 T C 1.103 175.805 174.700 0.003 0.000 0.941 2 T CA 0.450 62.552 62.100 0.003 0.000 1.030 2 T CB -0.740 68.129 68.868 0.003 0.000 0.935 2 T HN 1.872 nan 8.240 nan 0.000 0.564 3 I N 1.071 121.643 120.570 0.003 0.000 3.686 3 I HA 0.716 4.887 4.170 0.001 0.000 0.308 3 I C 1.125 177.244 176.117 0.003 0.000 1.254 3 I CA 0.269 61.571 61.300 0.003 0.000 1.175 3 I CB -1.652 36.350 38.000 0.004 0.000 1.009 3 I HN 1.083 nan 8.210 nan 0.000 0.459 4 A N -0.656 122.165 122.820 0.003 0.000 2.530 4 A HA 0.912 5.232 4.320 0.001 0.000 0.288 4 A C 0.468 178.054 177.584 0.002 0.000 1.172 4 A CA 0.038 52.076 52.037 0.003 0.000 0.733 4 A CB 0.167 19.169 19.000 0.003 0.000 1.320 4 A HN 1.922 nan 8.150 nan 0.000 0.419 5 I N -0.673 119.898 120.570 0.002 0.000 3.530 5 I HA 0.313 4.484 4.170 0.001 0.000 0.285 5 I C 1.430 177.548 176.117 0.002 0.000 1.282 5 I CA 1.525 62.826 61.300 0.002 0.000 1.335 5 I CB -0.778 37.223 38.000 0.002 0.000 1.328 5 I HN 1.403 nan 8.210 nan 0.000 0.603 6 G N 1.188 109.989 108.800 0.001 0.000 2.765 6 G HA2 0.625 4.586 3.960 0.001 0.000 0.218 6 G HA3 0.625 4.586 3.960 0.001 0.000 0.218 6 G C 0.780 175.681 174.900 0.002 0.000 1.271 6 G CA 1.157 46.258 45.100 0.001 0.000 0.865 6 G HN 2.059 nan 8.290 nan 0.000 0.604 7 R N -0.561 119.941 120.500 0.002 0.000 2.538 7 R HA 0.826 5.167 4.340 0.001 0.000 0.292 7 R C 0.414 176.717 176.300 0.004 0.000 1.008 7 R CA 0.163 56.265 56.100 0.003 0.000 0.896 7 R CB 0.298 30.600 30.300 0.003 0.000 1.187 7 R HN 1.729 nan 8.270 nan 0.000 0.440 8 A N 1.577 124.399 122.820 0.005 0.000 2.839 8 A HA 0.318 4.639 4.320 0.001 0.000 0.782 8 A C -0.048 177.540 177.584 0.007 0.000 1.988 8 A CA 0.739 52.779 52.037 0.006 0.000 2.370 8 A CB -1.249 17.755 19.000 0.007 0.000 1.400 8 A HN 1.840 nan 8.150 nan 0.000 0.645 9 P HA 0.717 nan 4.420 nan 0.000 0.277 9 P C 0.272 177.580 177.300 0.014 0.000 1.240 9 P CA 1.567 64.674 63.100 0.011 0.000 0.798 9 P CB 1.064 32.772 31.700 0.012 0.000 0.979 10 A N -0.613 122.217 122.820 0.016 0.000 3.592 10 A HA 0.609 4.929 4.320 0.001 0.000 0.089 10 A C 0.071 177.668 177.584 0.022 0.000 1.298 10 A CA 1.309 53.360 52.037 0.022 0.000 1.204 10 A CB -1.037 17.976 19.000 0.021 0.000 0.893 10 A HN 1.985 nan 8.150 nan 0.000 0.424 11 E N -2.184 118.030 120.200 0.023 0.000 4.441 11 E HA 0.678 5.029 4.350 0.001 0.000 0.383 11 E C 0.300 176.918 176.600 0.030 0.000 1.081 11 E CA 1.155 57.567 56.400 0.020 0.000 0.818 11 E CB -1.395 28.316 29.700 0.018 0.000 1.187 11 E HN 2.770 nan 8.360 nan 0.000 0.574 12 R N 0.307 120.820 120.500 0.021 0.000 3.502 12 R HA 0.106 4.446 4.340 0.001 0.000 0.266 12 R C 2.156 178.474 176.300 0.029 0.000 1.077 12 R CA 2.370 58.486 56.100 0.026 0.000 0.718 12 R CB -2.676 27.646 30.300 0.035 0.000 1.120 12 R HN 2.899 nan 8.270 nan 0.000 0.457 13 G N -2.767 106.048 108.800 0.024 0.000 3.434 13 G HA2 -0.300 3.660 3.960 0.001 0.000 0.343 13 G HA3 -0.300 3.660 3.960 0.001 0.000 0.343 13 G C 1.685 176.601 174.900 0.027 0.000 1.240 13 G CA 3.283 48.397 45.100 0.023 0.000 0.996 13 G HN 2.268 nan 8.290 nan 0.000 0.650 14 W N -0.044 121.272 121.300 0.026 0.000 2.463 14 W HA 0.430 5.090 4.660 0.001 0.000 0.316 14 W C 3.352 179.890 176.519 0.033 0.000 1.170 14 W CA 3.561 60.921 57.345 0.025 0.000 1.355 14 W CB -1.215 28.257 29.460 0.019 0.000 1.159 14 W HN 1.256 nan 8.180 nan 0.000 0.487 15 F N 0.904 120.878 119.950 0.041 0.000 1.978 15 F HA 0.129 4.656 4.527 0.001 0.000 0.296 15 F C 2.314 178.165 175.800 0.085 0.000 1.251 15 F CA 3.390 61.422 58.000 0.053 0.000 1.166 15 F CB -1.605 37.430 39.000 0.058 0.000 0.965 15 F HN 0.553 nan 8.300 nan 0.000 0.498 16 D N -0.086 120.397 120.400 0.139 0.000 2.958 16 D HA -0.288 4.352 4.640 0.001 0.000 0.309 16 D C 2.622 179.039 176.300 0.195 0.000 1.093 16 D CA 3.708 57.856 54.000 0.247 0.000 1.071 16 D CB -1.638 39.287 40.800 0.208 0.000 1.220 16 D HN 1.769 nan 8.370 nan 0.000 0.496 17 I N 0.282 120.935 120.570 0.137 0.000 2.188 17 I HA 0.046 4.216 4.170 0.001 0.000 0.246 17 I C 3.531 179.698 176.117 0.083 0.000 1.033 17 I CA 5.028 66.391 61.300 0.104 0.000 1.307 17 I CB -1.802 36.237 38.000 0.065 0.000 1.005 17 I HN 1.380 nan 8.210 nan 0.000 0.421 18 L N 0.112 121.372 121.223 0.061 0.000 1.993 18 L HA 0.042 4.382 4.340 0.001 0.000 0.206 18 L C 2.765 179.638 176.870 0.004 0.000 1.074 18 L CA 3.508 58.365 54.840 0.027 0.000 0.746 18 L CB -2.248 39.821 42.059 0.016 0.000 0.896 18 L HN 0.839 nan 8.230 nan 0.000 0.435 19 D N -0.139 120.261 120.400 0.000 0.000 2.203 19 D HA -0.232 4.409 4.640 0.001 0.000 0.199 19 D C 1.923 178.104 176.300 -0.198 0.000 0.997 19 D CA 3.305 57.249 54.000 -0.093 0.000 0.863 19 D CB -1.502 39.254 40.800 -0.073 0.000 0.928 19 D HN 0.876 nan 8.370 nan 0.000 0.458 20 D N -1.520 118.859 120.400 -0.036 0.000 2.087 20 D HA 0.006 4.647 4.640 0.001 0.000 0.192 20 D C 2.371 178.624 176.300 -0.078 0.000 0.993 20 D CA 3.653 57.652 54.000 -0.002 0.000 0.828 20 D CB -1.667 39.288 40.800 0.258 0.000 0.968 20 D HN 1.195 nan 8.370 nan 0.000 0.448 21 W N 0.583 121.870 121.300 -0.021 0.000 2.290 21 W HA 0.093 4.754 4.660 0.001 0.000 0.323 21 W C 3.338 179.811 176.519 -0.076 0.000 1.260 21 W CA 3.452 60.778 57.345 -0.031 0.000 1.266 21 W CB -1.214 28.238 29.460 -0.014 0.000 1.149 21 W HN 0.772 nan 8.180 nan 0.000 0.482 22 L N 0.896 122.056 121.223 -0.105 0.000 1.955 22 L HA 0.057 4.397 4.340 0.001 0.000 0.213 22 L C 2.490 179.263 176.870 -0.160 0.000 1.072 22 L CA 4.965 59.732 54.840 -0.121 0.000 0.755 22 L CB -2.243 39.740 42.059 -0.127 0.000 0.888 22 L HN 0.806 nan 8.230 nan 0.000 0.432 23 K N 0.229 120.472 120.400 -0.262 0.000 2.360 23 K HA 0.207 4.528 4.320 0.001 0.000 0.201 23 K C 1.657 178.129 176.600 -0.213 0.000 1.046 23 K CA 1.536 57.639 56.287 -0.307 0.000 0.940 23 K CB -1.361 30.791 32.500 -0.581 0.000 0.748 23 K HN 1.313 nan 8.250 nan 0.000 0.465 24 R N 0.669 121.078 120.500 -0.152 0.000 2.505 24 R HA 0.546 4.886 4.340 0.001 0.000 0.284 24 R C 0.450 176.724 176.300 -0.044 0.000 1.324 24 R CA 0.410 56.471 56.100 -0.066 0.000 1.432 24 R CB -1.140 29.152 30.300 -0.013 0.000 1.107 24 R HN 0.726 nan 8.270 nan 0.000 0.587 25 D N 0.038 120.411 120.400 -0.045 0.000 3.161 25 D HA 0.683 5.323 4.640 0.001 0.000 0.224 25 D C 1.221 177.510 176.300 -0.018 0.000 1.180 25 D CA 0.970 54.950 54.000 -0.034 0.000 1.207 25 D CB 0.140 40.912 40.800 -0.045 0.000 1.008 25 D HN 0.905 nan 8.370 nan 0.000 0.316 26 R N -2.241 118.248 120.500 -0.019 0.000 2.478 26 R HA 0.563 4.904 4.340 0.001 0.000 0.377 26 R C -0.044 176.251 176.300 -0.008 0.000 0.853 26 R CA 0.535 56.629 56.100 -0.009 0.000 1.113 26 R CB -0.984 29.313 30.300 -0.005 0.000 1.725 26 R HN 1.546 nan 8.270 nan 0.000 0.524 27 F N -0.065 119.875 119.950 -0.016 0.000 2.444 27 F HA 0.778 5.306 4.527 0.001 0.000 0.342 27 F C 1.469 177.262 175.800 -0.012 0.000 1.121 27 F CA -1.705 56.286 58.000 -0.015 0.000 0.997 27 F CB 0.607 39.592 39.000 -0.025 0.000 1.130 27 F HN 1.374 nan 8.300 nan 0.000 0.454 28 V N 1.666 121.582 119.914 0.003 0.000 5.887 28 V HA 0.170 4.291 4.120 0.001 0.000 0.167 28 V C 0.856 176.971 176.094 0.035 0.000 0.718 28 V CA 0.954 63.267 62.300 0.022 0.000 0.553 28 V CB -2.606 29.225 31.823 0.014 0.000 0.464 28 V HN 2.775 nan 8.190 nan 0.000 0.392 29 F N 2.172 122.148 119.950 0.043 0.000 2.200 29 F HA 0.477 5.005 4.527 0.001 0.000 0.438 29 F C 1.000 176.867 175.800 0.112 0.000 0.892 29 F CA 1.236 59.269 58.000 0.054 0.000 1.037 29 F CB -1.066 37.958 39.000 0.040 0.000 0.823 29 F HN 2.335 nan 8.300 nan 0.000 0.507 30 V N 2.560 122.517 119.914 0.071 0.000 4.735 30 V HA 1.036 5.157 4.120 0.001 0.000 0.274 30 V C 1.110 177.259 176.094 0.093 0.000 1.331 30 V CA -0.430 61.940 62.300 0.116 0.000 0.760 30 V CB 0.948 32.758 31.823 -0.022 0.000 1.280 30 V HN 2.779 nan 8.190 nan 0.000 0.416 31 G N -4.151 104.676 108.800 0.045 0.000 2.359 31 G HA2 0.040 4.000 3.960 0.001 0.000 0.314 31 G HA3 0.040 4.000 3.960 0.001 0.000 0.314 31 G C -0.555 174.385 174.900 0.066 0.000 1.364 31 G CA 0.080 45.195 45.100 0.026 0.000 0.978 31 G HN 0.958 nan 8.290 nan 0.000 0.615 32 W N 0.828 122.155 121.300 0.045 0.000 2.354 32 W HA -0.015 4.646 4.660 0.001 0.000 0.315 32 W C 3.150 179.698 176.519 0.049 0.000 1.206 32 W CA 2.918 60.288 57.345 0.041 0.000 1.290 32 W CB -0.805 28.671 29.460 0.026 0.000 1.152 32 W HN 0.917 nan 8.180 nan 0.000 0.489 33 S N 0.308 116.184 115.700 0.294 0.000 2.381 33 S HA -0.250 4.220 4.470 0.001 0.000 0.230 33 S C 2.066 176.744 174.600 0.131 0.000 1.052 33 S CA 1.813 60.109 58.200 0.161 0.000 1.068 33 S CB -1.557 61.701 63.200 0.097 0.000 0.918 33 S HN 0.318 nan 8.310 nan 0.000 0.448 34 G N 1.201 110.094 108.800 0.155 0.000 2.443 34 G HA2 0.050 4.011 3.960 0.001 0.000 0.219 34 G HA3 0.050 4.011 3.960 0.001 0.000 0.219 34 G C 1.379 176.460 174.900 0.302 0.000 1.131 34 G CA 0.661 45.895 45.100 0.222 0.000 0.775 34 G HN 0.585 nan 8.290 nan 0.000 0.547 35 I N -0.074 120.628 120.570 0.219 0.000 2.657 35 I HA -0.089 4.082 4.170 0.001 0.000 0.261 35 I C 1.869 178.080 176.117 0.157 0.000 1.212 35 I CA 0.977 62.381 61.300 0.172 0.000 1.453 35 I CB 0.070 38.164 38.000 0.157 0.000 1.092 35 I HN 0.193 nan 8.210 nan 0.000 0.452 36 L N -1.304 120.009 121.223 0.150 0.000 2.920 36 L HA 0.130 4.471 4.340 0.001 0.000 0.257 36 L C 1.720 178.651 176.870 0.102 0.000 1.150 36 L CA -0.080 54.827 54.840 0.112 0.000 0.959 36 L CB 0.469 42.587 42.059 0.097 0.000 1.321 36 L HN 0.165 nan 8.230 nan 0.000 0.555 37 L N -0.409 120.859 121.223 0.074 0.000 2.051 37 L HA 0.014 4.355 4.340 0.001 0.000 0.202 37 L C 2.382 179.236 176.870 -0.027 0.000 1.097 37 L CA 1.260 56.085 54.840 -0.025 0.000 0.762 37 L CB -0.200 41.744 42.059 -0.191 0.000 0.913 37 L HN 0.003 nan 8.230 nan 0.000 0.447 38 F N 0.583 120.577 119.950 0.073 0.000 2.037 38 F HA -0.293 4.235 4.527 0.001 0.000 0.296 38 F C -0.127 175.719 175.800 0.076 0.000 1.132 38 F CA 2.436 60.474 58.000 0.063 0.000 1.211 38 F CB -2.336 36.674 39.000 0.017 0.000 0.951 38 F HN 0.180 nan 8.300 nan 0.000 0.503 39 P HA -0.245 nan 4.420 nan 0.000 0.216 39 P C 1.663 179.043 177.300 0.133 0.000 1.167 39 P CA 2.426 65.626 63.100 0.167 0.000 0.933 39 P CB -0.311 31.455 31.700 0.110 0.000 0.793 40 C N -0.654 118.701 119.300 0.093 0.000 3.038 40 C HA -0.187 4.274 4.460 0.001 0.000 0.289 40 C C 2.731 177.746 174.990 0.041 0.000 1.190 40 C CA 1.619 60.669 59.018 0.054 0.000 1.807 40 C CB -1.909 25.898 27.740 0.112 0.000 1.951 40 C HN 0.327 nan 8.230 nan 0.000 0.414 41 A N -0.288 122.555 122.820 0.037 0.000 1.883 41 A HA -0.383 3.937 4.320 0.001 0.000 0.232 41 A C 1.993 179.632 177.584 0.092 0.000 1.671 41 A CA 2.957 55.008 52.037 0.023 0.000 0.748 41 A CB -1.640 17.357 19.000 -0.005 0.000 0.850 41 A HN 0.786 nan 8.150 nan 0.000 0.488 42 Y N -0.340 119.992 120.300 0.054 0.000 2.049 42 Y HA -0.138 4.412 4.550 0.001 0.000 0.277 42 Y C 2.211 178.151 175.900 0.067 0.000 1.143 42 Y CA 2.138 60.288 58.100 0.083 0.000 1.115 42 Y CB -0.751 37.782 38.460 0.122 0.000 0.975 42 Y HN 0.275 nan 8.280 nan 0.000 0.487 43 L N 0.633 121.956 121.223 0.166 0.000 2.064 43 L HA -0.287 4.054 4.340 0.001 0.000 0.216 43 L C 2.312 179.202 176.870 0.034 0.000 1.077 43 L CA 2.477 57.348 54.840 0.052 0.000 0.766 43 L CB -1.125 40.877 42.059 -0.095 0.000 0.890 43 L HN 0.393 nan 8.230 nan 0.000 0.435 44 A N -1.824 120.958 122.820 -0.065 0.000 2.081 44 A HA 0.009 4.329 4.320 0.001 0.000 0.214 44 A C 2.232 179.805 177.584 -0.019 0.000 1.158 44 A CA 1.002 53.007 52.037 -0.053 0.000 0.724 44 A CB -0.530 18.399 19.000 -0.118 0.000 0.826 44 A HN 0.485 nan 8.150 nan 0.000 0.463 45 L N -0.757 120.446 121.223 -0.032 0.000 2.131 45 L HA 0.034 4.375 4.340 0.001 0.000 0.206 45 L C 2.432 179.324 176.870 0.037 0.000 1.087 45 L CA 1.165 56.007 54.840 0.002 0.000 0.767 45 L CB -0.502 41.557 42.059 0.000 0.000 0.917 45 L HN 0.416 nan 8.230 nan 0.000 0.441 46 G N -0.542 108.194 108.800 -0.107 0.000 2.552 46 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 46 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 46 G C 1.478 176.374 174.900 -0.006 0.000 1.240 46 G CA 0.722 45.742 45.100 -0.133 0.000 0.796 46 G HN 0.512 nan 8.290 nan 0.000 0.568 47 G N 0.184 109.024 108.800 0.067 0.000 2.805 47 G HA2 -0.408 3.553 3.960 0.001 0.000 0.227 47 G HA3 -0.408 3.553 3.960 0.001 0.000 0.227 47 G C 1.618 176.529 174.900 0.019 0.000 1.143 47 G CA 1.538 46.669 45.100 0.050 0.000 0.759 47 G HN 0.536 nan 8.290 nan 0.000 0.634 48 W N 1.270 122.501 121.300 -0.116 0.000 2.355 48 W HA 0.022 4.682 4.660 0.001 0.000 0.309 48 W C 2.451 178.941 176.519 -0.047 0.000 1.206 48 W CA 1.626 58.895 57.345 -0.127 0.000 1.284 48 W CB -0.493 28.870 29.460 -0.162 0.000 1.145 48 W HN 0.192 nan 8.180 nan 0.000 0.502 49 L N -0.011 121.091 121.223 -0.202 0.000 2.042 49 L HA -0.263 4.077 4.340 0.001 0.000 0.210 49 L C 2.513 179.209 176.870 -0.289 0.000 1.076 49 L CA 1.954 56.556 54.840 -0.398 0.000 0.749 49 L CB -1.535 40.454 42.059 -0.117 0.000 0.893 49 L HN -0.088 nan 8.230 nan 0.000 0.432 50 T N -0.193 114.289 114.554 -0.121 0.000 2.580 50 T HA -0.191 4.160 4.350 0.001 0.000 0.265 50 T C 1.877 176.587 174.700 0.018 0.000 1.063 50 T CA 1.669 63.783 62.100 0.024 0.000 1.170 50 T CB -0.847 68.010 68.868 -0.018 0.000 0.863 50 T HN 0.571 nan 8.240 nan 0.000 0.418 51 G N 1.104 109.846 108.800 -0.096 0.000 2.459 51 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 51 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 51 G C 1.725 176.544 174.900 -0.135 0.000 1.183 51 G CA 1.659 46.708 45.100 -0.085 0.000 0.776 51 G HN 0.487 nan 8.290 nan 0.000 0.552 52 T N 0.741 115.086 114.554 -0.349 0.000 2.624 52 T HA -0.277 4.073 4.350 0.001 0.000 0.266 52 T C 2.567 177.271 174.700 0.006 0.000 1.050 52 T CA 2.792 64.690 62.100 -0.335 0.000 1.163 52 T CB -0.704 67.680 68.868 -0.807 0.000 0.861 52 T HN 0.635 nan 8.240 nan 0.000 0.443 53 T N -2.061 112.389 114.554 -0.173 0.000 2.990 53 T HA 0.300 4.651 4.350 0.001 0.000 0.249 53 T C 1.504 175.948 174.700 -0.428 0.000 1.039 53 T CA -0.159 61.760 62.100 -0.302 0.000 1.036 53 T CB -0.171 68.223 68.868 -0.790 0.000 0.994 53 T HN 0.368 nan 8.240 nan 0.000 0.489 54 F N 0.991 120.900 119.950 -0.069 0.000 2.637 54 F HA 0.497 5.025 4.527 0.001 0.000 0.284 54 F C 0.741 176.530 175.800 -0.019 0.000 1.105 54 F CA -0.425 57.552 58.000 -0.038 0.000 1.356 54 F CB 0.805 39.780 39.000 -0.042 0.000 1.096 54 F HN -0.061 nan 8.300 nan 0.000 0.616 55 V N 0.015 120.008 119.914 0.132 0.000 2.713 55 V HA 0.354 4.475 4.120 0.001 0.000 0.307 55 V C 0.270 176.398 176.094 0.057 0.000 1.052 55 V CA -0.612 61.733 62.300 0.075 0.000 0.967 55 V CB 1.770 33.601 31.823 0.014 0.000 1.019 55 V HN 0.033 nan 8.190 nan 0.000 0.459 56 T N 1.505 116.110 114.554 0.085 0.000 2.897 56 T HA 0.402 4.752 4.350 0.001 0.000 0.278 56 T C 0.861 175.650 174.700 0.148 0.000 0.981 56 T CA 0.199 62.374 62.100 0.125 0.000 0.973 56 T CB 1.675 70.657 68.868 0.190 0.000 1.092 56 T HN 0.704 nan 8.240 nan 0.000 0.543 57 S N -0.028 115.786 115.700 0.190 0.000 2.891 57 S HA 0.126 4.597 4.470 0.001 0.000 0.247 57 S C 1.425 176.197 174.600 0.287 0.000 1.063 57 S CA -0.216 58.083 58.200 0.165 0.000 0.857 57 S CB -0.680 62.539 63.200 0.031 0.000 0.800 57 S HN 0.862 nan 8.310 nan 0.000 0.540 58 W N 1.685 123.010 121.300 0.041 0.000 2.244 58 W HA -0.497 4.164 4.660 0.001 0.000 0.352 58 W C 1.488 177.928 176.519 -0.131 0.000 1.753 58 W CA 2.560 59.852 57.345 -0.088 0.000 1.883 58 W CB -1.188 28.134 29.460 -0.230 0.000 0.927 58 W HN 0.437 nan 8.180 nan 0.000 0.467 59 Y N -0.146 120.239 120.300 0.142 0.000 2.403 59 Y HA -0.157 4.394 4.550 0.001 0.000 0.291 59 Y C 2.743 178.638 175.900 -0.008 0.000 1.143 59 Y CA 2.091 60.202 58.100 0.019 0.000 1.257 59 Y CB -1.445 37.068 38.460 0.088 0.000 0.984 59 Y HN 0.062 nan 8.280 nan 0.000 0.550 60 T N -2.463 112.203 114.554 0.187 0.000 3.039 60 T HA 0.034 4.384 4.350 0.001 0.000 0.250 60 T C 1.092 175.938 174.700 0.242 0.000 1.052 60 T CA 1.119 63.346 62.100 0.210 0.000 1.125 60 T CB 0.084 69.133 68.868 0.302 0.000 0.908 60 T HN 0.324 nan 8.240 nan 0.000 0.473 61 H N -0.562 118.513 119.070 0.008 0.000 2.074 61 H HA 0.546 5.103 4.556 0.001 0.000 0.198 61 H C 1.350 176.571 175.328 -0.177 0.000 0.938 61 H CA 0.533 56.582 56.048 0.001 0.000 1.125 61 H CB 0.534 30.306 29.762 0.017 0.000 1.195 61 H HN 0.317 nan 8.280 nan 0.000 0.430 62 G N 0.088 108.852 108.800 -0.061 0.000 2.165 62 G HA2 0.003 3.964 3.960 0.001 0.000 0.144 62 G HA3 0.003 3.964 3.960 0.001 0.000 0.144 62 G C -1.173 173.722 174.900 -0.008 0.000 1.049 62 G CA -0.433 44.395 45.100 -0.454 0.000 0.741 62 G HN 0.104 nan 8.290 nan 0.000 0.493 63 L N 0.703 122.030 121.223 0.172 0.000 2.341 63 L HA 0.917 5.258 4.340 0.001 0.000 0.267 63 L C 0.661 177.668 176.870 0.228 0.000 1.009 63 L CA -0.760 54.200 54.840 0.200 0.000 0.819 63 L CB 1.783 43.900 42.059 0.096 0.000 1.323 63 L HN 0.416 nan 8.230 nan 0.000 0.425 64 A N 0.519 123.449 122.820 0.183 0.000 2.366 64 A HA 0.547 4.868 4.320 0.001 0.000 0.272 64 A C 0.541 178.161 177.584 0.059 0.000 1.135 64 A CA 0.281 52.387 52.037 0.115 0.000 0.804 64 A CB 0.210 19.248 19.000 0.062 0.000 1.064 64 A HN 0.831 nan 8.150 nan 0.000 0.499 65 S N 0.577 116.303 115.700 0.043 0.000 2.846 65 S HA 0.404 4.875 4.470 0.001 0.000 0.249 65 S C 0.216 174.810 174.600 -0.011 0.000 1.028 65 S CA 0.323 58.527 58.200 0.008 0.000 1.043 65 S CB -0.630 62.571 63.200 0.001 0.000 0.990 65 S HN 1.569 nan 8.310 nan 0.000 0.564 66 S N -0.355 115.340 115.700 -0.008 0.000 2.661 66 S HA 0.641 5.112 4.470 0.001 0.000 0.285 66 S C 0.140 174.747 174.600 0.011 0.000 1.138 66 S CA -0.681 57.524 58.200 0.009 0.000 0.855 66 S CB 0.301 63.508 63.200 0.012 0.000 1.136 66 S HN 0.010 nan 8.310 nan 0.000 0.484 67 Y N 0.443 120.651 120.300 -0.152 0.000 2.165 67 Y HA -0.046 4.505 4.550 0.001 0.000 0.286 67 Y C 2.331 178.150 175.900 -0.135 0.000 1.155 67 Y CA 1.492 59.510 58.100 -0.135 0.000 1.164 67 Y CB -0.602 37.752 38.460 -0.177 0.000 0.978 67 Y HN 0.629 nan 8.280 nan 0.000 0.513 68 L N 0.428 121.646 121.223 -0.008 0.000 2.079 68 L HA -0.194 4.147 4.340 0.001 0.000 0.210 68 L C 1.962 178.816 176.870 -0.026 0.000 1.081 68 L CA 1.879 56.682 54.840 -0.062 0.000 0.752 68 L CB -0.601 41.395 42.059 -0.105 0.000 0.896 68 L HN 0.223 nan 8.230 nan 0.000 0.433 69 E N -1.334 118.856 120.200 -0.017 0.000 2.358 69 E HA 0.085 4.436 4.350 0.001 0.000 0.195 69 E C 1.234 177.818 176.600 -0.027 0.000 1.010 69 E CA 0.596 56.983 56.400 -0.022 0.000 0.856 69 E CB 0.052 29.746 29.700 -0.010 0.000 0.795 69 E HN 0.666 nan 8.360 nan 0.000 0.504 70 G N -0.183 108.601 108.800 -0.026 0.000 2.227 70 G HA2 -0.183 3.778 3.960 0.001 0.000 0.168 70 G HA3 -0.183 3.778 3.960 0.001 0.000 0.168 70 G C 0.327 175.196 174.900 -0.051 0.000 1.006 70 G CA -0.172 44.910 45.100 -0.029 0.000 0.684 70 G HN 0.240 nan 8.290 nan 0.000 0.489 71 C N 0.858 120.105 119.300 -0.088 0.000 2.574 71 C HA 0.752 5.213 4.460 0.001 0.000 0.335 71 C C 0.540 175.376 174.990 -0.256 0.000 1.493 71 C CA 0.559 59.493 59.018 -0.139 0.000 2.217 71 C CB 0.637 28.289 27.740 -0.147 0.000 2.056 71 C HN 0.928 nan 8.230 nan 0.000 0.607 72 N N -1.184 117.359 118.700 -0.263 0.000 2.503 72 N HA 0.336 5.076 4.740 0.001 0.000 0.287 72 N C -0.109 175.328 175.510 -0.122 0.000 1.096 72 N CA -0.654 52.234 53.050 -0.269 0.000 0.936 72 N CB 0.323 38.762 38.487 -0.080 0.000 1.570 72 N HN 0.596 nan 8.380 nan 0.000 0.504 73 F N 1.653 121.392 119.950 -0.352 0.000 2.138 73 F HA -0.527 4.000 4.527 0.001 0.000 0.218 73 F C 0.903 176.722 175.800 0.032 0.000 1.197 73 F CA 2.853 60.815 58.000 -0.063 0.000 1.861 73 F CB -0.710 38.322 39.000 0.055 0.000 0.630 73 F HN 0.547 nan 8.300 nan 0.000 0.360 74 L N -0.691 120.715 121.223 0.306 0.000 1.955 74 L HA -0.237 4.104 4.340 0.001 0.000 0.213 74 L C 2.591 179.512 176.870 0.086 0.000 1.072 74 L CA 2.480 57.453 54.840 0.222 0.000 0.755 74 L CB -1.464 40.768 42.059 0.288 0.000 0.888 74 L HN 0.621 nan 8.230 nan 0.000 0.432 75 T N -2.419 112.167 114.554 0.053 0.000 2.929 75 T HA -0.018 4.333 4.350 0.001 0.000 0.271 75 T C 0.840 175.526 174.700 -0.023 0.000 1.085 75 T CA 0.106 62.219 62.100 0.023 0.000 1.125 75 T CB -0.864 68.006 68.868 0.003 0.000 0.874 75 T HN 0.015 nan 8.240 nan 0.000 0.494 76 V N 2.019 121.877 119.914 -0.093 0.000 2.924 76 V HA 0.636 4.757 4.120 0.001 0.000 0.305 76 V C 0.531 176.612 176.094 -0.023 0.000 1.073 76 V CA -0.086 62.143 62.300 -0.118 0.000 1.098 76 V CB 0.521 32.185 31.823 -0.265 0.000 1.000 76 V HN 0.878 nan 8.190 nan 0.000 0.484 77 A N 2.880 125.701 122.820 0.000 0.000 2.583 77 A HA 0.635 4.955 4.320 0.001 0.000 0.292 77 A C -1.260 176.372 177.584 0.080 0.000 1.045 77 A CA -0.473 51.619 52.037 0.091 0.000 0.672 77 A CB 1.423 20.470 19.000 0.079 0.000 1.283 77 A HN 0.599 nan 8.150 nan 0.000 0.419 78 V N 2.800 122.838 119.914 0.208 0.000 2.218 78 V HA 0.286 4.407 4.120 0.001 0.000 0.261 78 V C 0.702 176.949 176.094 0.255 0.000 1.142 78 V CA -0.125 62.292 62.300 0.195 0.000 0.965 78 V CB -0.093 31.890 31.823 0.268 0.000 1.190 78 V HN 0.868 nan 8.190 nan 0.000 0.478 79 S N 2.838 118.581 115.700 0.072 0.000 2.564 79 S HA 0.084 4.554 4.470 0.001 0.000 0.263 79 S C 0.892 175.521 174.600 0.048 0.000 1.378 79 S CA 0.062 58.214 58.200 -0.080 0.000 0.996 79 S CB 0.289 63.277 63.200 -0.353 0.000 0.881 79 S HN 0.865 nan 8.310 nan 0.000 0.555 80 T N 0.290 114.785 114.554 -0.098 0.000 2.899 80 T HA 0.473 4.824 4.350 0.001 0.000 0.284 80 T C -2.749 171.963 174.700 0.021 0.000 1.004 80 T CA -1.982 59.960 62.100 -0.264 0.000 1.043 80 T CB 0.661 69.284 68.868 -0.409 0.000 1.013 80 T HN 0.192 nan 8.240 nan 0.000 0.518 81 P HA 0.306 nan 4.420 nan 0.000 0.271 81 P C -0.462 176.927 177.300 0.147 0.000 1.244 81 P CA -0.288 62.841 63.100 0.049 0.000 0.793 81 P CB 0.170 31.893 31.700 0.038 0.000 0.984 82 A N 1.625 124.471 122.820 0.044 0.000 2.386 82 A HA 0.053 4.374 4.320 0.001 0.000 0.248 82 A C 1.550 178.899 177.584 -0.392 0.000 1.082 82 A CA -0.179 51.771 52.037 -0.144 0.000 0.789 82 A CB -0.379 18.544 19.000 -0.127 0.000 1.025 82 A HN 0.640 nan 8.150 nan 0.000 0.490 83 N N 0.898 119.064 118.700 -0.890 0.000 2.309 83 N HA -0.137 4.603 4.740 0.001 0.000 0.182 83 N C 1.736 177.049 175.510 -0.328 0.000 1.018 83 N CA 1.529 54.172 53.050 -0.679 0.000 0.876 83 N CB -0.073 38.028 38.487 -0.643 0.000 0.972 83 N HN 0.638 nan 8.380 nan 0.000 0.434 84 S N 0.333 115.840 115.700 -0.322 0.000 2.392 84 S HA -0.118 4.352 4.470 0.001 0.000 0.232 84 S C 1.643 176.162 174.600 -0.136 0.000 1.041 84 S CA 1.277 59.343 58.200 -0.222 0.000 1.026 84 S CB -0.102 62.989 63.200 -0.182 0.000 0.845 84 S HN 0.391 nan 8.310 nan 0.000 0.465 85 M N 0.738 120.271 119.600 -0.112 0.000 2.494 85 M HA 0.250 4.731 4.480 0.001 0.000 0.232 85 M C 1.402 177.677 176.300 -0.042 0.000 1.137 85 M CA 0.479 55.756 55.300 -0.039 0.000 1.012 85 M CB -0.026 32.585 32.600 0.019 0.000 1.567 85 M HN 0.439 nan 8.290 nan 0.000 0.486 86 G N 0.990 109.706 108.800 -0.140 0.000 2.702 86 G HA2 -0.322 3.638 3.960 0.001 0.000 0.342 86 G HA3 -0.322 3.638 3.960 0.001 0.000 0.342 86 G C 0.428 175.077 174.900 -0.419 0.000 1.258 86 G CA 0.662 45.597 45.100 -0.275 0.000 0.990 86 G HN 0.620 nan 8.290 nan 0.000 0.548 87 H N 1.399 120.297 119.070 -0.287 0.000 2.503 87 H HA 0.432 4.989 4.556 0.001 0.000 0.296 87 H C 1.056 176.301 175.328 -0.138 0.000 1.097 87 H CA 0.558 56.197 56.048 -0.682 0.000 1.055 87 H CB -0.293 29.130 29.762 -0.566 0.000 1.580 87 H HN 0.569 nan 8.280 nan 0.000 0.546 88 S N -0.510 115.465 115.700 0.459 0.000 2.499 88 S HA 0.268 4.739 4.470 0.001 0.000 0.279 88 S C 1.712 176.727 174.600 0.693 0.000 1.219 88 S CA -0.364 58.148 58.200 0.520 0.000 1.062 88 S CB 1.332 64.711 63.200 0.299 0.000 0.978 88 S HN 0.271 nan 8.310 nan 0.000 0.489 89 L N 2.857 124.375 121.223 0.492 0.000 2.651 89 L HA 0.209 4.550 4.340 0.001 0.000 0.236 89 L C 1.520 178.492 176.870 0.171 0.000 1.173 89 L CA 1.274 56.266 54.840 0.253 0.000 0.843 89 L CB -2.056 40.127 42.059 0.206 0.000 0.964 89 L HN 1.089 nan 8.230 nan 0.000 0.454 90 L N -0.314 121.048 121.223 0.231 0.000 4.035 90 L HA -0.197 4.144 4.340 0.001 0.000 0.490 90 L C 0.548 177.596 176.870 0.296 0.000 1.163 90 L CA 0.156 55.131 54.840 0.226 0.000 0.680 90 L CB -1.310 40.847 42.059 0.164 0.000 1.409 90 L HN 0.520 nan 8.230 nan 0.000 0.786 91 L N 1.174 122.429 121.223 0.053 0.000 2.439 91 L HA 0.013 4.354 4.340 0.001 0.000 0.269 91 L C 1.631 178.179 176.870 -0.537 0.000 1.179 91 L CA -0.559 54.039 54.840 -0.404 0.000 0.828 91 L CB 0.215 41.789 42.059 -0.808 0.000 1.106 91 L HN 0.387 nan 8.230 nan 0.000 0.467 92 L N 2.418 122.913 121.223 -1.213 0.000 2.740 92 L HA -0.137 4.203 4.340 0.001 0.000 0.242 92 L C 1.085 177.590 176.870 -0.609 0.000 1.175 92 L CA 1.521 55.521 54.840 -1.399 0.000 0.859 92 L CB -0.629 40.567 42.059 -1.439 0.000 0.992 92 L HN 0.595 nan 8.230 nan 0.000 0.454 93 W N -2.364 118.906 121.300 -0.050 0.000 2.968 93 W HA 0.443 5.103 4.660 0.001 0.000 0.253 93 W C 1.830 178.385 176.519 0.060 0.000 1.150 93 W CA 0.176 57.524 57.345 0.005 0.000 1.463 93 W CB -1.425 28.038 29.460 0.005 0.000 0.906 93 W HN 0.116 nan 8.180 nan 0.000 0.650 94 G N 2.934 111.855 108.800 0.200 0.000 2.844 94 G HA2 -0.195 3.766 3.960 0.001 0.000 0.211 94 G HA3 -0.195 3.766 3.960 0.001 0.000 0.211 94 G C -1.596 173.392 174.900 0.147 0.000 1.368 94 G CA 0.964 46.169 45.100 0.176 0.000 0.815 94 G HN -0.060 nan 8.290 nan 0.000 0.649 95 P HA 0.238 nan 4.420 nan 0.000 0.244 95 P C -0.815 176.558 177.300 0.121 0.000 1.723 95 P CA 0.002 63.172 63.100 0.117 0.000 1.110 95 P CB -0.346 31.425 31.700 0.118 0.000 1.972 96 E N -0.292 119.978 120.200 0.116 0.000 7.519 96 E HA -0.229 4.122 4.350 0.001 0.000 0.462 96 E C 0.519 177.194 176.600 0.125 0.000 0.413 96 E CA 0.992 57.458 56.400 0.111 0.000 0.763 96 E CB -0.895 28.857 29.700 0.085 0.000 0.955 96 E HN 0.347 nan 8.360 nan 0.000 0.355 97 A N 2.985 125.885 122.820 0.133 0.000 2.930 97 A HA 0.333 4.654 4.320 0.001 0.000 0.213 97 A C 2.129 179.782 177.584 0.115 0.000 2.276 97 A CA 1.826 53.949 52.037 0.143 0.000 1.182 97 A CB -1.301 17.833 19.000 0.222 0.000 1.301 97 A HN 0.826 nan 8.150 nan 0.000 0.481 98 Q N -0.952 118.908 119.800 0.099 0.000 2.146 98 Q HA -0.261 4.080 4.340 0.001 0.000 0.217 98 Q C 2.550 178.595 176.000 0.076 0.000 1.023 98 Q CA 3.940 59.788 55.803 0.074 0.000 0.903 98 Q CB -2.268 26.499 28.738 0.049 0.000 0.990 98 Q HN 1.460 nan 8.270 nan 0.000 0.413 99 G N 0.539 109.381 108.800 0.071 0.000 2.764 99 G HA2 0.046 4.007 3.960 0.001 0.000 0.219 99 G HA3 0.046 4.007 3.960 0.001 0.000 0.219 99 G C 0.857 175.805 174.900 0.079 0.000 1.259 99 G CA 1.877 47.016 45.100 0.065 0.000 0.793 99 G HN 1.437 nan 8.290 nan 0.000 0.633 100 D N -1.169 119.288 120.400 0.096 0.000 2.549 100 D HA 0.543 5.183 4.640 0.001 0.000 0.251 100 D C 0.326 176.728 176.300 0.170 0.000 1.153 100 D CA -0.233 53.836 54.000 0.115 0.000 0.861 100 D CB 1.192 42.031 40.800 0.065 0.000 1.207 100 D HN 0.222 nan 8.370 nan 0.000 0.543 101 F N 1.372 121.360 119.950 0.065 0.000 2.219 101 F HA -0.041 4.487 4.527 0.001 0.000 0.294 101 F C 2.706 178.602 175.800 0.160 0.000 1.086 101 F CA 2.343 60.399 58.000 0.094 0.000 1.330 101 F CB -0.238 38.783 39.000 0.035 0.000 1.047 101 F HN 0.421 nan 8.300 nan 0.000 0.495 102 T N -0.264 114.370 114.554 0.134 0.000 2.592 102 T HA -0.322 4.028 4.350 0.001 0.000 0.267 102 T C 2.097 176.729 174.700 -0.114 0.000 1.060 102 T CA 1.974 64.067 62.100 -0.012 0.000 1.167 102 T CB -0.929 67.986 68.868 0.078 0.000 0.863 102 T HN 0.399 nan 8.240 nan 0.000 0.431 103 R N -0.645 119.834 120.500 -0.035 0.000 2.120 103 R HA -0.043 4.298 4.340 0.001 0.000 0.234 103 R C 2.232 178.520 176.300 -0.019 0.000 1.123 103 R CA 1.393 57.462 56.100 -0.051 0.000 0.975 103 R CB -0.548 29.743 30.300 -0.016 0.000 0.866 103 R HN 0.569 nan 8.270 nan 0.000 0.446 104 W N 1.192 122.368 121.300 -0.207 0.000 2.318 104 W HA -0.303 4.358 4.660 0.001 0.000 0.313 104 W C 2.072 178.432 176.519 -0.265 0.000 1.221 104 W CA 1.152 58.368 57.345 -0.216 0.000 1.266 104 W CB -0.666 28.636 29.460 -0.264 0.000 1.150 104 W HN 0.048 nan 8.180 nan 0.000 0.496 105 C N 0.091 119.206 119.300 -0.309 0.000 2.413 105 C HA -0.257 4.203 4.460 0.001 0.000 0.277 105 C C 2.620 177.464 174.990 -0.243 0.000 1.228 105 C CA 1.530 60.314 59.018 -0.390 0.000 1.731 105 C CB -1.405 26.112 27.740 -0.372 0.000 2.042 105 C HN 0.463 nan 8.230 nan 0.000 0.468 106 Q N 0.668 120.365 119.800 -0.172 0.000 1.985 106 Q HA -0.201 4.140 4.340 0.001 0.000 0.207 106 Q C 2.250 178.214 176.000 -0.059 0.000 0.996 106 Q CA 1.545 57.279 55.803 -0.114 0.000 0.851 106 Q CB -0.483 28.108 28.738 -0.246 0.000 0.921 106 Q HN 0.659 nan 8.270 nan 0.000 0.418 107 L N -0.764 120.408 121.223 -0.085 0.000 2.129 107 L HA -0.122 4.219 4.340 0.001 0.000 0.212 107 L C 1.077 177.899 176.870 -0.081 0.000 1.087 107 L CA 1.075 55.887 54.840 -0.046 0.000 0.757 107 L CB -0.544 41.495 42.059 -0.033 0.000 0.896 107 L HN 0.607 nan 8.230 nan 0.000 0.434 108 G N -1.080 107.589 108.800 -0.217 0.000 2.610 108 G HA2 -0.079 3.882 3.960 0.001 0.000 0.136 108 G HA3 -0.079 3.882 3.960 0.001 0.000 0.136 108 G C 0.482 175.111 174.900 -0.453 0.000 1.070 108 G CA -0.237 44.720 45.100 -0.238 0.000 0.812 108 G HN 0.337 nan 8.290 nan 0.000 0.495 109 G N -0.090 108.056 108.800 -1.089 0.000 2.453 109 G HA2 0.139 4.100 3.960 0.001 0.000 0.215 109 G HA3 0.139 4.100 3.960 0.001 0.000 0.215 109 G C 1.766 175.991 174.900 -1.125 0.000 1.147 109 G CA 0.841 44.887 45.100 -1.756 0.000 0.802 109 G HN 0.624 nan 8.290 nan 0.000 0.535 110 L N -0.891 119.794 121.223 -0.897 0.000 2.351 110 L HA -0.092 4.249 4.340 0.001 0.000 0.220 110 L C 2.377 179.187 176.870 -0.100 0.000 1.127 110 L CA 0.571 55.176 54.840 -0.391 0.000 0.786 110 L CB -0.160 41.725 42.059 -0.289 0.000 0.914 110 L HN 0.430 nan 8.230 nan 0.000 0.443 111 W N 0.872 122.039 121.300 -0.221 0.000 2.394 111 W HA -0.215 4.446 4.660 0.001 0.000 0.320 111 W C 2.886 179.346 176.519 -0.097 0.000 1.148 111 W CA 2.285 59.568 57.345 -0.104 0.000 1.272 111 W CB -0.825 28.590 29.460 -0.074 0.000 1.210 111 W HN 0.218 nan 8.180 nan 0.000 0.455 112 T N -0.664 113.981 114.554 0.152 0.000 2.736 112 T HA -0.437 3.914 4.350 0.001 0.000 0.265 112 T C 1.742 176.380 174.700 -0.103 0.000 1.031 112 T CA 1.815 63.852 62.100 -0.104 0.000 1.155 112 T CB -1.490 67.335 68.868 -0.070 0.000 0.849 112 T HN 0.247 nan 8.240 nan 0.000 0.471 113 F N 2.086 121.991 119.950 -0.076 0.000 2.025 113 F HA -0.064 4.464 4.527 0.001 0.000 0.297 113 F C 2.308 178.124 175.800 0.026 0.000 1.132 113 F CA 1.751 59.837 58.000 0.143 0.000 1.191 113 F CB -0.323 38.789 39.000 0.187 0.000 0.963 113 F HN 0.100 nan 8.300 nan 0.000 0.481 114 I N -0.009 120.520 120.570 -0.068 0.000 2.286 114 I HA -0.309 3.862 4.170 0.001 0.000 0.248 114 I C 2.564 178.413 176.117 -0.447 0.000 1.115 114 I CA 0.976 62.038 61.300 -0.397 0.000 1.392 114 I CB -1.089 36.362 38.000 -0.914 0.000 1.065 114 I HN 0.300 nan 8.210 nan 0.000 0.418 115 A N 1.592 124.082 122.820 -0.550 0.000 1.825 115 A HA -0.133 4.188 4.320 0.001 0.000 0.214 115 A C 2.292 179.778 177.584 -0.164 0.000 1.206 115 A CA 1.276 53.090 52.037 -0.372 0.000 0.609 115 A CB -1.021 17.515 19.000 -0.772 0.000 0.851 115 A HN 0.318 nan 8.150 nan 0.000 0.445 116 L N -1.298 119.796 121.223 -0.215 0.000 2.043 116 L HA -0.282 4.059 4.340 0.001 0.000 0.212 116 L C 2.624 179.445 176.870 -0.083 0.000 1.075 116 L CA 2.006 56.760 54.840 -0.143 0.000 0.752 116 L CB -0.819 41.138 42.059 -0.170 0.000 0.891 116 L HN 0.563 nan 8.230 nan 0.000 0.432 117 H N -1.025 117.991 119.070 -0.091 0.000 2.276 117 H HA -0.082 4.475 4.556 0.001 0.000 0.301 117 H C 2.299 177.583 175.328 -0.073 0.000 1.073 117 H CA 1.234 57.224 56.048 -0.097 0.000 1.311 117 H CB -0.447 29.077 29.762 -0.398 0.000 1.379 117 H HN 0.310 nan 8.280 nan 0.000 0.494 118 G N 0.475 109.240 108.800 -0.058 0.000 2.475 118 G HA2 -0.325 3.636 3.960 0.001 0.000 0.220 118 G HA3 -0.325 3.636 3.960 0.001 0.000 0.220 118 G C 1.875 176.639 174.900 -0.227 0.000 1.125 118 G CA 0.951 45.941 45.100 -0.184 0.000 0.755 118 G HN 0.517 nan 8.290 nan 0.000 0.565 119 A N 0.759 123.502 122.820 -0.129 0.000 1.849 119 A HA 0.006 4.327 4.320 0.001 0.000 0.217 119 A C 2.161 179.636 177.584 -0.181 0.000 1.202 119 A CA 1.738 53.697 52.037 -0.131 0.000 0.629 119 A CB -0.736 18.177 19.000 -0.144 0.000 0.834 119 A HN 0.297 nan 8.150 nan 0.000 0.447 120 F N 0.390 120.329 119.950 -0.018 0.000 2.171 120 F HA -0.024 4.504 4.527 0.001 0.000 0.300 120 F C 2.656 178.457 175.800 0.001 0.000 1.090 120 F CA 1.021 59.026 58.000 0.008 0.000 1.293 120 F CB -0.898 38.111 39.000 0.015 0.000 1.013 120 F HN 0.289 nan 8.300 nan 0.000 0.486 121 G N 0.014 108.890 108.800 0.126 0.000 2.422 121 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 121 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 121 G C 1.732 176.653 174.900 0.034 0.000 1.146 121 G CA 0.712 45.841 45.100 0.048 0.000 0.769 121 G HN 0.338 nan 8.290 nan 0.000 0.547 122 L N -0.009 121.194 121.223 -0.034 0.000 2.217 122 L HA 0.088 4.429 4.340 0.001 0.000 0.211 122 L C 2.742 179.729 176.870 0.194 0.000 1.107 122 L CA 0.332 55.198 54.840 0.042 0.000 0.783 122 L CB -0.228 41.724 42.059 -0.178 0.000 0.919 122 L HN 0.223 nan 8.230 nan 0.000 0.442 123 I N -0.424 120.221 120.570 0.125 0.000 2.286 123 I HA -0.151 4.020 4.170 0.001 0.000 0.245 123 I C 2.647 178.871 176.117 0.178 0.000 1.104 123 I CA 1.214 62.609 61.300 0.158 0.000 1.397 123 I CB -0.814 37.266 38.000 0.134 0.000 1.072 123 I HN 0.236 nan 8.210 nan 0.000 0.417 124 G N 1.053 109.950 108.800 0.161 0.000 2.514 124 G HA2 -0.345 3.616 3.960 0.001 0.000 0.217 124 G HA3 -0.345 3.616 3.960 0.001 0.000 0.217 124 G C 1.639 176.599 174.900 0.099 0.000 1.198 124 G CA 0.784 45.955 45.100 0.119 0.000 0.780 124 G HN 0.338 nan 8.290 nan 0.000 0.565 125 F N 0.817 120.720 119.950 -0.078 0.000 2.161 125 F HA -0.043 4.485 4.527 0.001 0.000 0.300 125 F C 2.652 178.338 175.800 -0.190 0.000 1.089 125 F CA 2.032 59.919 58.000 -0.189 0.000 1.282 125 F CB -0.097 38.730 39.000 -0.287 0.000 1.010 125 F HN 0.175 nan 8.300 nan 0.000 0.485 126 M N -0.164 119.542 119.600 0.176 0.000 2.117 126 M HA -0.210 4.270 4.480 0.001 0.000 0.262 126 M C 1.942 178.397 176.300 0.259 0.000 1.065 126 M CA 1.851 57.284 55.300 0.222 0.000 1.114 126 M CB -0.298 32.580 32.600 0.464 0.000 1.361 126 M HN 0.268 nan 8.290 nan 0.000 0.408 127 L N -0.863 120.468 121.223 0.180 0.000 2.056 127 L HA -0.175 4.166 4.340 0.001 0.000 0.207 127 L C 2.512 179.434 176.870 0.086 0.000 1.078 127 L CA 1.208 56.142 54.840 0.158 0.000 0.749 127 L CB -0.789 41.308 42.059 0.063 0.000 0.901 127 L HN 0.297 nan 8.230 nan 0.000 0.433 128 R N 0.540 120.998 120.500 -0.069 0.000 2.377 128 R HA -0.177 4.164 4.340 0.001 0.000 0.207 128 R C 2.017 178.166 176.300 -0.252 0.000 1.075 128 R CA 1.010 57.013 56.100 -0.161 0.000 1.035 128 R CB 0.081 30.219 30.300 -0.271 0.000 0.857 128 R HN 0.632 nan 8.270 nan 0.000 0.475 129 Q N -2.483 117.175 119.800 -0.237 0.000 2.402 129 Q HA 0.029 4.370 4.340 0.001 0.000 0.231 129 Q C 1.250 177.188 176.000 -0.104 0.000 0.888 129 Q CA 0.073 55.718 55.803 -0.265 0.000 0.938 129 Q CB -0.145 28.358 28.738 -0.392 0.000 1.086 129 Q HN 0.194 nan 8.270 nan 0.000 0.543 130 F N 2.262 122.160 119.950 -0.088 0.000 2.163 130 F HA 0.009 4.536 4.527 0.001 0.000 0.297 130 F C 2.399 178.191 175.800 -0.015 0.000 1.094 130 F CA 1.462 59.444 58.000 -0.030 0.000 1.290 130 F CB 0.137 39.131 39.000 -0.010 0.000 1.017 130 F HN 0.147 nan 8.300 nan 0.000 0.483 131 E N 0.744 121.059 120.200 0.191 0.000 2.012 131 E HA -0.237 4.114 4.350 0.001 0.000 0.197 131 E C 2.279 178.934 176.600 0.093 0.000 1.007 131 E CA 1.885 58.368 56.400 0.139 0.000 0.816 131 E CB -0.272 29.510 29.700 0.138 0.000 0.762 131 E HN 0.327 nan 8.360 nan 0.000 0.451 132 I N 0.786 121.381 120.570 0.042 0.000 2.099 132 I HA -0.317 3.854 4.170 0.001 0.000 0.239 132 I C 2.660 178.785 176.117 0.013 0.000 1.066 132 I CA 1.107 62.416 61.300 0.015 0.000 1.324 132 I CB -0.600 37.383 38.000 -0.029 0.000 1.037 132 I HN 0.204 nan 8.210 nan 0.000 0.401 133 A N 0.913 123.725 122.820 -0.013 0.000 1.940 133 A HA -0.338 3.983 4.320 0.001 0.000 0.221 133 A C 2.322 179.920 177.584 0.022 0.000 1.190 133 A CA 2.623 54.651 52.037 -0.015 0.000 0.647 133 A CB -0.722 18.234 19.000 -0.073 0.000 0.821 133 A HN 0.369 nan 8.150 nan 0.000 0.457 134 R N -0.088 120.443 120.500 0.051 0.000 2.092 134 R HA 0.026 4.367 4.340 0.001 0.000 0.231 134 R C 1.909 178.243 176.300 0.057 0.000 1.119 134 R CA 1.587 57.727 56.100 0.067 0.000 0.970 134 R CB -0.762 29.596 30.300 0.096 0.000 0.864 134 R HN 0.549 nan 8.270 nan 0.000 0.440 135 L N -0.597 120.660 121.223 0.057 0.000 2.027 135 L HA -0.110 4.231 4.340 0.001 0.000 0.206 135 L C 2.125 179.019 176.870 0.040 0.000 1.074 135 L CA 1.112 55.983 54.840 0.051 0.000 0.745 135 L CB -0.425 41.667 42.059 0.054 0.000 0.898 135 L HN 0.030 nan 8.230 nan 0.000 0.433 136 V N -0.044 119.890 119.914 0.033 0.000 2.970 136 V HA -0.024 4.097 4.120 0.001 0.000 0.260 136 V C 1.429 177.541 176.094 0.031 0.000 1.100 136 V CA 1.179 63.496 62.300 0.028 0.000 1.122 136 V CB -0.819 31.017 31.823 0.023 0.000 0.721 136 V HN 0.761 nan 8.190 nan 0.000 0.483 137 G N 0.947 109.768 108.800 0.035 0.000 2.204 137 G HA2 -0.140 3.821 3.960 0.001 0.000 0.244 137 G HA3 -0.140 3.821 3.960 0.001 0.000 0.244 137 G C -0.043 174.881 174.900 0.041 0.000 1.062 137 G CA 0.246 45.369 45.100 0.038 0.000 0.798 137 G HN 1.172 nan 8.290 nan 0.000 0.496 138 V N -3.608 116.330 119.914 0.041 0.000 2.864 138 V HA 0.851 4.972 4.120 0.001 0.000 0.314 138 V C 0.652 176.782 176.094 0.061 0.000 1.073 138 V CA -1.951 60.379 62.300 0.049 0.000 0.956 138 V CB 1.471 33.318 31.823 0.040 0.000 1.023 138 V HN 0.415 nan 8.190 nan 0.000 0.435 139 R N 2.618 123.179 120.500 0.102 0.000 2.585 139 R HA 0.211 4.552 4.340 0.001 0.000 0.275 139 R C -1.825 174.545 176.300 0.116 0.000 1.018 139 R CA -0.604 55.599 56.100 0.171 0.000 1.072 139 R CB 0.212 30.721 30.300 0.347 0.000 0.953 139 R HN 0.633 nan 8.270 nan 0.000 0.419 140 P HA -0.036 nan 4.420 nan 0.000 0.249 140 P C -0.106 177.111 177.300 -0.137 0.000 1.241 140 P CA 0.552 63.537 63.100 -0.192 0.000 0.781 140 P CB 0.125 31.631 31.700 -0.323 0.000 1.088 141 Y N -0.143 120.139 120.300 -0.029 0.000 2.538 141 Y HA -0.211 4.339 4.550 0.001 0.000 0.287 141 Y C 2.283 178.193 175.900 0.017 0.000 1.157 141 Y CA 1.100 59.219 58.100 0.031 0.000 1.338 141 Y CB -0.878 37.641 38.460 0.098 0.000 0.970 141 Y HN 0.176 nan 8.280 nan 0.000 0.564 142 N N 0.049 118.807 118.700 0.097 0.000 2.354 142 N HA -0.105 4.636 4.740 0.001 0.000 0.179 142 N C 1.880 177.424 175.510 0.057 0.000 1.021 142 N CA 0.858 53.952 53.050 0.073 0.000 0.887 142 N CB 0.040 38.540 38.487 0.022 0.000 0.974 142 N HN 0.354 nan 8.380 nan 0.000 0.437 143 A N 1.009 123.783 122.820 -0.076 0.000 2.016 143 A HA 0.064 4.385 4.320 0.001 0.000 0.217 143 A C 2.211 179.875 177.584 0.132 0.000 1.162 143 A CA 0.300 52.310 52.037 -0.044 0.000 0.662 143 A CB -0.298 18.400 19.000 -0.504 0.000 0.812 143 A HN 0.277 nan 8.150 nan 0.000 0.450 144 I N -0.232 120.378 120.570 0.067 0.000 2.202 144 I HA -0.270 3.900 4.170 0.001 0.000 0.242 144 I C 3.015 179.230 176.117 0.163 0.000 1.091 144 I CA 1.055 62.415 61.300 0.100 0.000 1.368 144 I CB -0.407 37.617 38.000 0.041 0.000 1.058 144 I HN 0.358 nan 8.210 nan 0.000 0.410 145 A N 0.621 123.537 122.820 0.160 0.000 1.917 145 A HA -0.295 4.025 4.320 0.001 0.000 0.219 145 A C 2.213 179.922 177.584 0.210 0.000 1.182 145 A CA 1.748 53.876 52.037 0.151 0.000 0.633 145 A CB -1.085 17.996 19.000 0.136 0.000 0.819 145 A HN 0.452 nan 8.150 nan 0.000 0.448 146 F N 1.682 121.702 119.950 0.117 0.000 2.365 146 F HA -0.125 4.403 4.527 0.001 0.000 0.300 146 F C 2.697 178.599 175.800 0.170 0.000 1.090 146 F CA 1.415 59.495 58.000 0.132 0.000 1.408 146 F CB -0.175 38.932 39.000 0.178 0.000 1.060 146 F HN 0.349 nan 8.300 nan 0.000 0.534 147 S N 0.241 116.112 115.700 0.284 0.000 2.399 147 S HA -0.198 4.273 4.470 0.001 0.000 0.231 147 S C 2.335 177.108 174.600 0.288 0.000 1.022 147 S CA 0.816 59.217 58.200 0.335 0.000 0.983 147 S CB -1.160 62.319 63.200 0.466 0.000 0.803 147 S HN 0.382 nan 8.310 nan 0.000 0.480 148 A N 3.566 126.588 122.820 0.336 0.000 1.842 148 A HA -0.001 4.319 4.320 0.001 0.000 0.217 148 A C 0.287 177.655 177.584 -0.361 0.000 1.206 148 A CA 1.813 53.881 52.037 0.052 0.000 0.630 148 A CB -2.004 17.067 19.000 0.119 0.000 0.839 148 A HN 0.529 nan 8.150 nan 0.000 0.447 149 P HA -0.175 nan 4.420 nan 0.000 0.215 149 P C 1.417 178.473 177.300 -0.407 0.000 1.157 149 P CA 1.285 64.145 63.100 -0.400 0.000 0.874 149 P CB -0.195 31.202 31.700 -0.504 0.000 0.790 150 I N -0.720 119.543 120.570 -0.513 0.000 2.151 150 I HA -0.332 3.839 4.170 0.001 0.000 0.243 150 I C 2.339 178.346 176.117 -0.183 0.000 1.080 150 I CA 1.732 62.862 61.300 -0.284 0.000 1.339 150 I CB -1.074 36.822 38.000 -0.174 0.000 1.039 150 I HN -0.053 nan 8.210 nan 0.000 0.409 151 A N 0.835 123.409 122.820 -0.410 0.000 1.859 151 A HA -0.219 4.101 4.320 0.001 0.000 0.217 151 A C 2.434 179.804 177.584 -0.356 0.000 1.198 151 A CA 2.379 54.057 52.037 -0.597 0.000 0.629 151 A CB -1.244 16.818 19.000 -1.563 0.000 0.830 151 A HN 0.248 nan 8.150 nan 0.000 0.446 152 V N -1.365 118.338 119.914 -0.351 0.000 2.370 152 V HA -0.309 3.812 4.120 0.001 0.000 0.252 152 V C 2.316 178.401 176.094 -0.015 0.000 1.068 152 V CA 2.454 64.655 62.300 -0.165 0.000 1.061 152 V CB -0.923 30.818 31.823 -0.137 0.000 0.656 152 V HN 0.652 nan 8.190 nan 0.000 0.455 153 F N -0.019 119.857 119.950 -0.124 0.000 2.456 153 F HA -0.028 4.500 4.527 0.001 0.000 0.298 153 F C 1.959 177.820 175.800 0.103 0.000 1.104 153 F CA 1.041 59.041 58.000 -0.000 0.000 1.435 153 F CB 0.125 39.003 39.000 -0.202 0.000 1.078 153 F HN -0.017 nan 8.300 nan 0.000 0.546 154 V N -0.072 119.830 119.914 -0.021 0.000 2.788 154 V HA -0.150 3.971 4.120 0.001 0.000 0.251 154 V C 2.432 178.494 176.094 -0.054 0.000 1.068 154 V CA 1.382 63.650 62.300 -0.053 0.000 1.090 154 V CB -0.688 31.152 31.823 0.028 0.000 0.710 154 V HN 0.492 nan 8.190 nan 0.000 0.467 155 S N 0.396 116.063 115.700 -0.054 0.000 2.345 155 S HA -0.107 4.363 4.470 0.001 0.000 0.219 155 S C 1.850 176.432 174.600 -0.029 0.000 1.031 155 S CA 1.399 59.591 58.200 -0.013 0.000 0.984 155 S CB -0.521 62.674 63.200 -0.009 0.000 0.874 155 S HN 0.309 nan 8.310 nan 0.000 0.451 156 V N 0.222 120.039 119.914 -0.160 0.000 3.041 156 V HA 0.145 4.266 4.120 0.001 0.000 0.260 156 V C 1.451 177.067 176.094 -0.797 0.000 1.105 156 V CA 1.173 63.193 62.300 -0.467 0.000 1.125 156 V CB -0.967 30.451 31.823 -0.675 0.000 0.730 156 V HN 0.466 nan 8.190 nan 0.000 0.479 157 F N -1.898 117.832 119.950 -0.367 0.000 2.711 157 F HA 0.325 4.852 4.527 0.001 0.000 0.296 157 F C 1.603 177.439 175.800 0.059 0.000 1.096 157 F CA 0.363 58.189 58.000 -0.290 0.000 1.280 157 F CB 0.184 38.669 39.000 -0.859 0.000 1.060 157 F HN -0.047 nan 8.300 nan 0.000 0.608 158 L N -0.854 120.463 121.223 0.156 0.000 2.453 158 L HA 0.135 4.476 4.340 0.001 0.000 0.190 158 L C 2.061 179.086 176.870 0.258 0.000 1.093 158 L CA 0.377 55.399 54.840 0.304 0.000 0.834 158 L CB -0.384 41.790 42.059 0.191 0.000 1.090 158 L HN -0.041 nan 8.230 nan 0.000 0.489 159 I N -0.360 120.298 120.570 0.146 0.000 2.045 159 I HA -0.378 3.793 4.170 0.001 0.000 0.233 159 I C 2.517 178.713 176.117 0.133 0.000 1.048 159 I CA 1.866 63.232 61.300 0.110 0.000 1.313 159 I CB -0.659 37.383 38.000 0.071 0.000 1.043 159 I HN 0.157 nan 8.210 nan 0.000 0.393 160 Y N 2.458 122.766 120.300 0.013 0.000 2.065 160 Y HA -0.319 4.232 4.550 0.001 0.000 0.251 160 Y C -0.482 175.433 175.900 0.026 0.000 1.258 160 Y CA 2.909 61.014 58.100 0.007 0.000 1.070 160 Y CB -1.962 36.520 38.460 0.038 0.000 0.880 160 Y HN 0.139 nan 8.280 nan 0.000 0.509 161 P HA -0.194 nan 4.420 nan 0.000 0.216 161 P C 1.654 178.985 177.300 0.053 0.000 1.150 161 P CA 2.093 65.267 63.100 0.125 0.000 0.837 161 P CB -0.180 31.606 31.700 0.142 0.000 0.786 162 L N -1.935 119.322 121.223 0.057 0.000 2.353 162 L HA -0.076 4.265 4.340 0.001 0.000 0.220 162 L C 2.281 179.132 176.870 -0.032 0.000 1.133 162 L CA 1.315 56.154 54.840 -0.003 0.000 0.798 162 L CB -1.153 40.839 42.059 -0.111 0.000 0.922 162 L HN 0.109 nan 8.230 nan 0.000 0.445 163 G N -1.053 107.696 108.800 -0.086 0.000 2.655 163 G HA2 -0.052 3.909 3.960 0.001 0.000 0.217 163 G HA3 -0.052 3.909 3.960 0.001 0.000 0.217 163 G C 0.486 175.279 174.900 -0.179 0.000 1.279 163 G CA -0.283 44.718 45.100 -0.166 0.000 0.870 163 G HN 0.225 nan 8.290 nan 0.000 0.560 164 Q N 1.521 121.130 119.800 -0.317 0.000 2.307 164 Q HA 0.375 4.716 4.340 0.001 0.000 0.261 164 Q C 0.359 176.295 176.000 -0.108 0.000 1.051 164 Q CA -0.327 55.310 55.803 -0.277 0.000 0.911 164 Q CB 1.037 29.497 28.738 -0.463 0.000 1.227 164 Q HN 0.410 nan 8.270 nan 0.000 0.418 165 S N 3.674 119.328 115.700 -0.077 0.000 2.930 165 S HA -0.146 4.325 4.470 0.001 0.000 0.351 165 S C -0.154 174.289 174.600 -0.260 0.000 1.210 165 S CA 0.626 58.748 58.200 -0.130 0.000 0.993 165 S CB -0.103 63.043 63.200 -0.090 0.000 0.682 165 S HN 1.179 nan 8.310 nan 0.000 0.484 166 S N 4.008 119.186 115.700 -0.870 0.000 3.418 166 S HA -0.184 4.287 4.470 0.001 0.000 0.857 166 S C 0.104 174.447 174.600 -0.427 0.000 1.161 166 S CA 0.363 58.073 58.200 -0.816 0.000 0.994 166 S CB -1.572 61.374 63.200 -0.424 0.000 0.757 166 S HN 0.869 nan 8.310 nan 0.000 0.273 167 W N 4.221 125.355 121.300 -0.277 0.000 2.274 167 W HA 0.409 5.070 4.660 0.001 0.000 0.345 167 W C 1.446 177.764 176.519 -0.335 0.000 1.265 167 W CA 0.423 57.566 57.345 -0.337 0.000 1.293 167 W CB -0.314 28.755 29.460 -0.653 0.000 1.175 167 W HN 1.074 nan 8.180 nan 0.000 0.577 168 F N -0.051 119.657 119.950 -0.403 0.000 1.399 168 F HA -0.146 4.382 4.527 0.001 0.000 0.417 168 F C 0.586 176.016 175.800 -0.617 0.000 0.873 168 F CA -0.472 57.183 58.000 -0.576 0.000 2.343 168 F CB -1.437 37.097 39.000 -0.776 0.000 3.202 168 F HN 0.031 nan 8.300 nan 0.000 0.226 169 F N 2.755 122.677 119.950 -0.046 0.000 2.660 169 F HA 0.682 5.210 4.527 0.001 0.000 0.302 169 F C 1.082 176.919 175.800 0.063 0.000 1.103 169 F CA 0.428 58.380 58.000 -0.080 0.000 1.340 169 F CB -0.375 38.628 39.000 0.004 0.000 1.048 169 F HN 0.149 nan 8.300 nan 0.000 0.551 170 A N 0.549 123.354 122.820 -0.024 0.000 2.304 170 A HA 0.602 4.923 4.320 0.001 0.000 0.301 170 A C -2.362 174.964 177.584 -0.430 0.000 1.132 170 A CA -1.663 50.261 52.037 -0.188 0.000 0.819 170 A CB 0.096 19.098 19.000 0.003 0.000 1.094 170 A HN -0.071 nan 8.150 nan 0.000 0.492 171 P HA 0.075 nan 4.420 nan 0.000 0.268 171 P C 0.285 177.435 177.300 -0.250 0.000 1.208 171 P CA 0.258 62.865 63.100 -0.822 0.000 0.777 171 P CB 0.614 31.578 31.700 -1.225 0.000 0.875 172 S N 1.381 117.018 115.700 -0.104 0.000 2.743 172 S HA 0.183 4.654 4.470 0.001 0.000 0.230 172 S C -0.011 174.801 174.600 0.353 0.000 0.950 172 S CA -0.247 58.053 58.200 0.166 0.000 0.976 172 S CB -1.235 61.980 63.200 0.025 0.000 0.779 172 S HN 0.432 nan 8.310 nan 0.000 0.487 173 F N 0.267 120.311 119.950 0.155 0.000 3.074 173 F HA -0.179 4.349 4.527 0.001 0.000 0.287 173 F C 0.859 176.730 175.800 0.118 0.000 0.932 173 F CA 0.565 58.614 58.000 0.082 0.000 0.995 173 F CB -1.616 37.464 39.000 0.133 0.000 0.966 173 F HN 0.289 nan 8.300 nan 0.000 0.721 174 G N -0.752 108.124 108.800 0.126 0.000 2.566 174 G HA2 0.520 4.481 3.960 0.001 0.000 0.311 174 G HA3 0.520 4.481 3.960 0.001 0.000 0.311 174 G C 0.396 175.275 174.900 -0.036 0.000 1.322 174 G CA -0.342 44.825 45.100 0.113 0.000 0.969 174 G HN 0.044 nan 8.290 nan 0.000 0.490 175 V N 1.953 121.836 119.914 -0.052 0.000 2.252 175 V HA -0.264 3.857 4.120 0.001 0.000 0.249 175 V C 3.008 179.050 176.094 -0.087 0.000 1.056 175 V CA 3.153 65.386 62.300 -0.111 0.000 1.022 175 V CB -0.544 31.223 31.823 -0.094 0.000 0.641 175 V HN 0.857 nan 8.190 nan 0.000 0.445 176 A N -1.073 121.827 122.820 0.134 0.000 2.030 176 A HA 0.301 4.622 4.320 0.001 0.000 0.215 176 A C 2.142 179.872 177.584 0.243 0.000 1.164 176 A CA 1.086 53.361 52.037 0.396 0.000 0.697 176 A CB -0.382 18.796 19.000 0.297 0.000 0.827 176 A HN 0.571 nan 8.150 nan 0.000 0.457 177 A N -0.572 122.298 122.820 0.083 0.000 2.235 177 A HA 0.251 4.572 4.320 0.001 0.000 0.208 177 A C 1.708 179.299 177.584 0.012 0.000 1.172 177 A CA 0.621 52.694 52.037 0.060 0.000 0.786 177 A CB -0.517 18.496 19.000 0.021 0.000 0.804 177 A HN 0.483 nan 8.150 nan 0.000 0.479 178 I N -2.102 118.398 120.570 -0.115 0.000 2.867 178 I HA -0.044 4.126 4.170 0.001 0.000 0.265 178 I C 1.636 177.726 176.117 -0.045 0.000 1.162 178 I CA 0.492 61.679 61.300 -0.188 0.000 1.471 178 I CB -0.089 37.667 38.000 -0.407 0.000 1.123 178 I HN 0.298 nan 8.210 nan 0.000 0.440 179 F N 1.047 121.061 119.950 0.106 0.000 2.186 179 F HA -0.158 4.370 4.527 0.001 0.000 0.299 179 F C 2.638 178.528 175.800 0.149 0.000 1.090 179 F CA 1.056 59.124 58.000 0.115 0.000 1.307 179 F CB -0.739 38.314 39.000 0.088 0.000 1.019 179 F HN -0.003 nan 8.300 nan 0.000 0.489 180 R N 0.675 121.374 120.500 0.331 0.000 2.091 180 R HA -0.236 4.105 4.340 0.001 0.000 0.238 180 R C 2.231 178.732 176.300 0.334 0.000 1.136 180 R CA 1.700 57.972 56.100 0.288 0.000 0.959 180 R CB -1.553 28.887 30.300 0.233 0.000 0.856 180 R HN 0.327 nan 8.270 nan 0.000 0.437 181 F N 1.308 121.329 119.950 0.118 0.000 2.095 181 F HA -0.199 4.329 4.527 0.001 0.000 0.298 181 F C 2.274 178.204 175.800 0.217 0.000 1.104 181 F CA 1.591 59.644 58.000 0.089 0.000 1.232 181 F CB -0.184 38.739 39.000 -0.129 0.000 0.987 181 F HN -0.037 nan 8.300 nan 0.000 0.475 182 L N -0.085 121.285 121.223 0.245 0.000 1.944 182 L HA -0.313 4.028 4.340 0.001 0.000 0.218 182 L C 2.462 179.473 176.870 0.234 0.000 1.075 182 L CA 1.731 56.684 54.840 0.188 0.000 0.767 182 L CB -1.183 41.023 42.059 0.245 0.000 0.890 182 L HN 0.186 nan 8.230 nan 0.000 0.434 183 L N -1.187 120.179 121.223 0.240 0.000 1.971 183 L HA -0.305 4.036 4.340 0.001 0.000 0.215 183 L C 2.632 179.633 176.870 0.219 0.000 1.072 183 L CA 1.534 56.490 54.840 0.192 0.000 0.758 183 L CB -0.824 41.330 42.059 0.159 0.000 0.889 183 L HN 0.185 nan 8.230 nan 0.000 0.433 184 F N 0.378 120.397 119.950 0.116 0.000 2.082 184 F HA -0.350 4.177 4.527 0.001 0.000 0.298 184 F C 2.166 178.007 175.800 0.068 0.000 1.091 184 F CA 1.648 59.715 58.000 0.112 0.000 1.230 184 F CB -0.524 38.479 39.000 0.006 0.000 0.983 184 F HN -0.130 nan 8.300 nan 0.000 0.485 185 F N 0.402 120.473 119.950 0.201 0.000 2.031 185 F HA -0.226 4.302 4.527 0.001 0.000 0.295 185 F C 2.783 178.592 175.800 0.015 0.000 1.133 185 F CA 2.059 60.099 58.000 0.066 0.000 1.188 185 F CB -1.328 37.536 39.000 -0.226 0.000 0.974 185 F HN -0.021 nan 8.300 nan 0.000 0.473 186 Q N 0.697 120.641 119.800 0.241 0.000 2.065 186 Q HA -0.230 4.110 4.340 0.001 0.000 0.213 186 Q C 2.446 178.466 176.000 0.034 0.000 1.012 186 Q CA 2.289 58.184 55.803 0.153 0.000 0.876 186 Q CB -1.331 27.481 28.738 0.123 0.000 0.954 186 Q HN 0.478 nan 8.270 nan 0.000 0.413 187 G N -1.372 107.385 108.800 -0.072 0.000 2.408 187 G HA2 -0.182 3.779 3.960 0.001 0.000 0.217 187 G HA3 -0.182 3.779 3.960 0.001 0.000 0.217 187 G C 1.229 175.845 174.900 -0.473 0.000 1.150 187 G CA 0.542 45.491 45.100 -0.251 0.000 0.776 187 G HN 0.326 nan 8.290 nan 0.000 0.542 188 F N -0.256 119.361 119.950 -0.555 0.000 2.220 188 F HA 0.232 4.760 4.527 0.001 0.000 0.290 188 F C 2.523 177.879 175.800 -0.740 0.000 1.080 188 F CA 0.900 58.415 58.000 -0.809 0.000 1.318 188 F CB 0.123 38.364 39.000 -1.264 0.000 1.063 188 F HN 0.134 nan 8.300 nan 0.000 0.498 189 H N -1.323 117.632 119.070 -0.191 0.000 2.622 189 H HA 0.144 4.701 4.556 0.001 0.000 0.269 189 H C 0.143 175.469 175.328 -0.003 0.000 0.977 189 H CA 0.236 56.167 56.048 -0.195 0.000 1.179 189 H CB -0.275 29.251 29.762 -0.394 0.000 1.458 189 H HN 0.031 nan 8.280 nan 0.000 0.531 190 N N 0.596 119.393 118.700 0.161 0.000 2.642 190 N HA -0.217 4.524 4.740 0.001 0.000 0.269 190 N C 0.658 176.369 175.510 0.335 0.000 1.073 190 N CA 0.288 53.486 53.050 0.247 0.000 0.748 190 N CB -1.478 37.221 38.487 0.353 0.000 0.894 190 N HN 0.561 nan 8.380 nan 0.000 0.548 191 W N 0.122 121.481 121.300 0.098 0.000 2.317 191 W HA -0.318 4.343 4.660 0.001 0.000 0.318 191 W C 2.500 178.995 176.519 -0.039 0.000 1.227 191 W CA 1.708 59.054 57.345 0.002 0.000 1.269 191 W CB -0.419 28.946 29.460 -0.159 0.000 1.155 191 W HN 0.610 nan 8.180 nan 0.000 0.484 192 T N -0.136 114.534 114.554 0.192 0.000 2.564 192 T HA -0.364 3.986 4.350 0.001 0.000 0.264 192 T C 1.621 176.392 174.700 0.120 0.000 1.100 192 T CA 2.158 64.317 62.100 0.099 0.000 1.171 192 T CB -1.179 67.749 68.868 0.100 0.000 0.863 192 T HN 0.262 nan 8.240 nan 0.000 0.430 193 L N 1.382 122.681 121.223 0.126 0.000 2.556 193 L HA -0.007 4.334 4.340 0.001 0.000 0.230 193 L C 1.371 178.312 176.870 0.119 0.000 1.163 193 L CA 0.440 55.323 54.840 0.072 0.000 0.819 193 L CB -0.834 41.208 42.059 -0.027 0.000 0.939 193 L HN 0.385 nan 8.230 nan 0.000 0.452 194 N N 0.387 119.209 118.700 0.204 0.000 2.415 194 N HA 0.077 4.818 4.740 0.001 0.000 0.250 194 N C -1.682 173.935 175.510 0.178 0.000 1.127 194 N CA -1.553 51.651 53.050 0.257 0.000 0.945 194 N CB 1.448 40.219 38.487 0.475 0.000 1.196 194 N HN -0.120 nan 8.380 nan 0.000 0.499 195 P HA -0.128 nan 4.420 nan 0.000 0.217 195 P C 1.028 178.375 177.300 0.078 0.000 1.148 195 P CA 1.150 64.331 63.100 0.135 0.000 0.834 195 P CB 0.083 31.884 31.700 0.168 0.000 0.783 196 F N -1.653 118.314 119.950 0.029 0.000 2.146 196 F HA -0.183 4.345 4.527 0.001 0.000 0.298 196 F C 2.735 178.468 175.800 -0.112 0.000 1.096 196 F CA 1.491 59.493 58.000 0.004 0.000 1.275 196 F CB -0.511 38.546 39.000 0.094 0.000 1.008 196 F HN 0.102 nan 8.300 nan 0.000 0.480 197 H N -0.078 118.837 119.070 -0.259 0.000 2.384 197 H HA -0.121 4.436 4.556 0.001 0.000 0.300 197 H C 2.268 177.375 175.328 -0.368 0.000 1.057 197 H CA 1.466 57.164 56.048 -0.583 0.000 1.370 197 H CB -0.544 28.261 29.762 -1.595 0.000 1.417 197 H HN 0.314 nan 8.280 nan 0.000 0.527 198 M N 0.225 119.765 119.600 -0.101 0.000 2.103 198 M HA -0.279 4.202 4.480 0.001 0.000 0.255 198 M C 2.481 178.684 176.300 -0.162 0.000 1.074 198 M CA 2.296 57.556 55.300 -0.068 0.000 1.090 198 M CB -0.177 32.429 32.600 0.010 0.000 1.325 198 M HN 0.370 nan 8.290 nan 0.000 0.403 199 M N -0.430 119.071 119.600 -0.165 0.000 2.126 199 M HA -0.132 4.348 4.480 0.001 0.000 0.259 199 M C 2.131 178.304 176.300 -0.212 0.000 1.073 199 M CA 2.286 57.483 55.300 -0.172 0.000 1.103 199 M CB -0.943 31.535 32.600 -0.203 0.000 1.284 199 M HN 0.523 nan 8.290 nan 0.000 0.420 200 G N -0.166 108.478 108.800 -0.260 0.000 2.732 200 G HA2 -0.333 3.627 3.960 0.001 0.000 0.222 200 G HA3 -0.333 3.627 3.960 0.001 0.000 0.222 200 G C 1.298 176.014 174.900 -0.306 0.000 1.203 200 G CA 1.912 46.842 45.100 -0.284 0.000 0.780 200 G HN 0.429 nan 8.290 nan 0.000 0.621 201 V N 1.840 121.488 119.914 -0.443 0.000 2.250 201 V HA -0.297 3.824 4.120 0.001 0.000 0.253 201 V C 3.381 179.364 176.094 -0.184 0.000 1.065 201 V CA 2.780 64.888 62.300 -0.321 0.000 1.039 201 V CB -1.385 30.262 31.823 -0.293 0.000 0.647 201 V HN 0.628 nan 8.190 nan 0.000 0.446 202 A N 0.385 123.111 122.820 -0.156 0.000 1.927 202 A HA -0.195 4.126 4.320 0.001 0.000 0.220 202 A C 2.405 179.932 177.584 -0.096 0.000 1.185 202 A CA 2.485 54.463 52.037 -0.099 0.000 0.639 202 A CB -1.384 17.569 19.000 -0.079 0.000 0.820 202 A HN 0.603 nan 8.150 nan 0.000 0.451 203 G N -0.733 107.995 108.800 -0.121 0.000 2.453 203 G HA2 -0.100 3.861 3.960 0.001 0.000 0.215 203 G HA3 -0.100 3.861 3.960 0.001 0.000 0.215 203 G C 1.547 176.380 174.900 -0.111 0.000 1.201 203 G CA 1.328 46.357 45.100 -0.119 0.000 0.784 203 G HN 0.336 nan 8.290 nan 0.000 0.545 204 V N 0.860 120.702 119.914 -0.120 0.000 2.233 204 V HA -0.174 3.946 4.120 0.001 0.000 0.247 204 V C 2.742 178.790 176.094 -0.078 0.000 1.050 204 V CA 1.838 64.078 62.300 -0.100 0.000 1.010 204 V CB -0.659 31.101 31.823 -0.106 0.000 0.637 204 V HN 0.322 nan 8.190 nan 0.000 0.444 205 L N 1.208 122.384 121.223 -0.077 0.000 2.079 205 L HA -0.097 4.244 4.340 0.001 0.000 0.210 205 L C 2.223 179.064 176.870 -0.049 0.000 1.081 205 L CA 2.445 57.251 54.840 -0.056 0.000 0.752 205 L CB -1.167 40.859 42.059 -0.055 0.000 0.896 205 L HN 0.314 nan 8.230 nan 0.000 0.433 206 G N -1.863 106.904 108.800 -0.054 0.000 2.511 206 G HA2 -0.047 3.914 3.960 0.001 0.000 0.217 206 G HA3 -0.047 3.914 3.960 0.001 0.000 0.217 206 G C 1.459 176.332 174.900 -0.045 0.000 1.133 206 G CA 0.409 45.484 45.100 -0.041 0.000 0.792 206 G HN 0.570 nan 8.290 nan 0.000 0.539 207 G N 1.079 109.841 108.800 -0.063 0.000 2.403 207 G HA2 0.123 4.084 3.960 0.001 0.000 0.216 207 G HA3 0.123 4.084 3.960 0.001 0.000 0.216 207 G C 1.984 176.853 174.900 -0.051 0.000 1.154 207 G CA 1.303 46.362 45.100 -0.068 0.000 0.784 207 G HN 0.518 nan 8.290 nan 0.000 0.538 208 A N 0.561 123.354 122.820 -0.045 0.000 1.933 208 A HA 0.098 4.418 4.320 0.001 0.000 0.218 208 A C 2.321 179.886 177.584 -0.032 0.000 1.175 208 A CA 1.352 53.369 52.037 -0.033 0.000 0.628 208 A CB -0.411 18.572 19.000 -0.029 0.000 0.814 208 A HN 0.400 nan 8.150 nan 0.000 0.444 209 L N -0.319 120.881 121.223 -0.039 0.000 1.970 209 L HA -0.187 4.154 4.340 0.001 0.000 0.212 209 L C 2.457 179.294 176.870 -0.056 0.000 1.071 209 L CA 1.779 56.590 54.840 -0.048 0.000 0.751 209 L CB -0.350 41.675 42.059 -0.056 0.000 0.889 209 L HN 0.420 nan 8.230 nan 0.000 0.432 210 L N -0.643 120.547 121.223 -0.054 0.000 2.081 210 L HA -0.332 4.009 4.340 0.001 0.000 0.212 210 L C 2.867 179.715 176.870 -0.037 0.000 1.080 210 L CA 1.481 56.284 54.840 -0.062 0.000 0.754 210 L CB -0.803 41.230 42.059 -0.043 0.000 0.893 210 L HN 0.561 nan 8.230 nan 0.000 0.433 211 C N -0.073 119.210 119.300 -0.028 0.000 2.419 211 C HA -0.081 4.380 4.460 0.001 0.000 0.281 211 C C 2.738 177.735 174.990 0.012 0.000 1.336 211 C CA 0.938 59.954 59.018 -0.004 0.000 1.770 211 C CB -0.696 27.038 27.740 -0.010 0.000 1.929 211 C HN 0.558 nan 8.230 nan 0.000 0.509 212 A N -1.100 121.718 122.820 -0.002 0.000 2.267 212 A HA 0.308 4.629 4.320 0.001 0.000 0.213 212 A C 1.742 179.333 177.584 0.012 0.000 1.192 212 A CA 0.297 52.335 52.037 0.002 0.000 0.851 212 A CB -0.264 18.733 19.000 -0.005 0.000 0.881 212 A HN 0.598 nan 8.150 nan 0.000 0.494 213 I N -1.830 118.746 120.570 0.011 0.000 2.641 213 I HA -0.058 4.112 4.170 0.001 0.000 0.232 213 I C 2.317 178.493 176.117 0.098 0.000 1.060 213 I CA 1.057 62.379 61.300 0.037 0.000 1.417 213 I CB -0.817 37.145 38.000 -0.063 0.000 1.227 213 I HN 0.454 nan 8.210 nan 0.000 0.434 214 H N 1.388 120.443 119.070 -0.026 0.000 2.280 214 H HA -0.278 4.279 4.556 0.001 0.000 0.284 214 H C 2.049 177.336 175.328 -0.069 0.000 1.108 214 H CA 2.319 58.340 56.048 -0.046 0.000 1.163 214 H CB -1.019 28.679 29.762 -0.106 0.000 1.358 214 H HN 0.407 nan 8.280 nan 0.000 0.505 215 G N -0.426 108.335 108.800 -0.065 0.000 2.574 215 G HA2 -0.341 3.620 3.960 0.001 0.000 0.220 215 G HA3 -0.341 3.620 3.960 0.001 0.000 0.220 215 G C 1.942 176.754 174.900 -0.146 0.000 1.173 215 G CA 2.120 47.135 45.100 -0.142 0.000 0.772 215 G HN 0.750 nan 8.290 nan 0.000 0.585 216 A N -0.207 122.575 122.820 -0.064 0.000 1.898 216 A HA 0.016 4.337 4.320 0.001 0.000 0.216 216 A C 2.548 180.089 177.584 -0.072 0.000 1.181 216 A CA 2.479 54.489 52.037 -0.044 0.000 0.620 216 A CB -0.971 18.040 19.000 0.018 0.000 0.819 216 A HN 0.333 nan 8.150 nan 0.000 0.442 217 T N 0.000 114.533 114.554 -0.035 0.000 2.622 217 T HA -0.161 4.190 4.350 0.001 0.000 0.266 217 T C 1.880 176.440 174.700 -0.234 0.000 1.047 217 T CA 1.774 63.838 62.100 -0.060 0.000 1.159 217 T CB -0.719 68.213 68.868 0.107 0.000 0.863 217 T HN 0.161 nan 8.240 nan 0.000 0.422 218 V N 2.005 121.674 119.914 -0.408 0.000 2.235 218 V HA -0.243 3.877 4.120 0.001 0.000 0.244 218 V C 2.615 178.534 176.094 -0.292 0.000 1.036 218 V CA 1.946 63.915 62.300 -0.552 0.000 1.001 218 V CB -0.736 30.653 31.823 -0.723 0.000 0.643 218 V HN 0.446 nan 8.190 nan 0.000 0.463 219 E N 0.579 120.642 120.200 -0.228 0.000 2.233 219 E HA -0.271 4.079 4.350 0.001 0.000 0.210 219 E C 1.863 178.382 176.600 -0.136 0.000 1.046 219 E CA 1.870 58.184 56.400 -0.143 0.000 0.844 219 E CB -0.650 28.982 29.700 -0.113 0.000 0.741 219 E HN 0.663 nan 8.360 nan 0.000 0.465 220 N N -0.586 118.014 118.700 -0.167 0.000 2.446 220 N HA -0.020 4.720 4.740 0.001 0.000 0.179 220 N C 1.331 176.696 175.510 -0.242 0.000 1.054 220 N CA 0.660 53.594 53.050 -0.193 0.000 0.905 220 N CB 0.142 38.501 38.487 -0.214 0.000 0.973 220 N HN 0.092 nan 8.380 nan 0.000 0.448 221 T N 0.954 115.372 114.554 -0.226 0.000 3.037 221 T HA 0.239 4.590 4.350 0.001 0.000 0.251 221 T C 1.065 175.633 174.700 -0.220 0.000 1.079 221 T CA -0.338 61.621 62.100 -0.235 0.000 1.067 221 T CB 0.520 69.290 68.868 -0.163 0.000 0.948 221 T HN 0.052 nan 8.240 nan 0.000 0.496 222 L N 1.358 122.508 121.223 -0.121 0.000 2.527 222 L HA -0.041 4.300 4.340 0.001 0.000 0.308 222 L C 0.256 177.033 176.870 -0.156 0.000 1.294 222 L CA 0.397 55.211 54.840 -0.043 0.000 0.838 222 L CB 0.075 42.145 42.059 0.019 0.000 1.077 222 L HN 0.149 nan 8.230 nan 0.000 0.552 223 F N -0.537 119.436 119.950 0.037 0.000 2.411 223 F HA 0.152 4.680 4.527 0.001 0.000 0.324 223 F C 0.996 176.805 175.800 0.016 0.000 1.086 223 F CA -0.227 57.785 58.000 0.021 0.000 1.028 223 F CB 1.114 40.131 39.000 0.028 0.000 1.284 223 F HN 0.427 nan 8.300 nan 0.000 0.501 224 Q N 0.969 120.939 119.800 0.283 0.000 2.096 224 Q HA -0.076 4.265 4.340 0.001 0.000 0.197 224 Q C -0.046 176.033 176.000 0.132 0.000 0.964 224 Q CA 0.932 56.825 55.803 0.149 0.000 0.838 224 Q CB -0.511 28.297 28.738 0.117 0.000 0.906 224 Q HN 0.617 nan 8.270 nan 0.000 0.444 225 D N -0.047 120.435 120.400 0.137 0.000 2.749 225 D HA -0.010 4.630 4.640 0.001 0.000 0.222 225 D C 0.597 176.937 176.300 0.067 0.000 1.131 225 D CA 1.516 55.548 54.000 0.053 0.000 0.845 225 D CB -0.309 40.474 40.800 -0.028 0.000 1.196 225 D HN 0.596 nan 8.370 nan 0.000 0.503 226 G N 0.580 109.402 108.800 0.036 0.000 2.272 226 G HA2 0.024 3.984 3.960 0.001 0.000 0.280 226 G HA3 0.024 3.984 3.960 0.001 0.000 0.280 226 G C 0.324 175.257 174.900 0.054 0.000 1.067 226 G CA 0.719 45.846 45.100 0.044 0.000 0.902 226 G HN 1.119 nan 8.290 nan 0.000 0.500 227 E N -0.994 119.231 120.200 0.042 0.000 2.359 227 E HA 0.873 5.224 4.350 0.001 0.000 0.255 227 E C 1.253 177.871 176.600 0.029 0.000 1.191 227 E CA -0.006 56.418 56.400 0.040 0.000 0.952 227 E CB 0.961 30.682 29.700 0.035 0.000 1.152 227 E HN 1.984 nan 8.360 nan 0.000 0.496 228 G N -2.107 106.708 108.800 0.025 0.000 4.553 228 G HA2 0.529 4.490 3.960 0.001 0.000 0.222 228 G HA3 0.529 4.490 3.960 0.001 0.000 0.222 228 G C 0.599 175.510 174.900 0.017 0.000 0.795 228 G CA 1.132 46.244 45.100 0.019 0.000 1.181 228 G HN 2.204 nan 8.290 nan 0.000 0.766 229 A N -0.719 122.111 122.820 0.017 0.000 5.939 229 A HA 0.417 4.738 4.320 0.001 0.000 0.250 229 A C 1.584 179.176 177.584 0.013 0.000 2.234 229 A CA 1.335 53.379 52.037 0.013 0.000 0.707 229 A CB -1.578 17.427 19.000 0.009 0.000 1.007 229 A HN 2.412 nan 8.150 nan 0.000 0.351 230 S N -0.926 114.779 115.700 0.008 0.000 2.548 230 S HA 0.547 5.018 4.470 0.001 0.000 0.266 230 S C 2.098 176.704 174.600 0.011 0.000 1.374 230 S CA 2.490 60.694 58.200 0.006 0.000 0.997 230 S CB -1.139 62.063 63.200 0.004 0.000 0.855 230 S HN 2.960 nan 8.310 nan 0.000 0.534 231 T N -1.995 112.564 114.554 0.008 0.000 3.704 231 T HA 0.229 4.580 4.350 0.001 0.000 0.388 231 T C 0.590 175.302 174.700 0.020 0.000 0.763 231 T CA 1.109 63.216 62.100 0.012 0.000 2.005 231 T CB -2.551 66.325 68.868 0.013 0.000 1.752 231 T HN 2.272 nan 8.240 nan 0.000 0.747 232 F N 0.355 120.317 119.950 0.020 0.000 2.685 232 F HA 0.604 5.132 4.527 0.001 0.000 0.349 232 F C 0.971 176.797 175.800 0.043 0.000 1.294 232 F CA 0.357 58.377 58.000 0.034 0.000 1.201 232 F CB -0.819 38.200 39.000 0.032 0.000 1.615 232 F HN 1.471 nan 8.300 nan 0.000 0.674 233 R N 1.694 122.224 120.500 0.051 0.000 2.748 233 R HA 0.690 5.031 4.340 0.001 0.000 0.283 233 R C -0.367 175.992 176.300 0.099 0.000 1.507 233 R CA 0.157 56.295 56.100 0.064 0.000 1.666 233 R CB 0.375 30.700 30.300 0.042 0.000 1.237 233 R HN 2.164 nan 8.270 nan 0.000 0.633 234 A N 1.549 124.448 122.820 0.132 0.000 3.007 234 A HA 0.612 4.933 4.320 0.001 0.000 0.314 234 A C -0.933 176.771 177.584 0.200 0.000 1.153 234 A CA -0.586 51.536 52.037 0.140 0.000 0.780 234 A CB -0.041 19.007 19.000 0.081 0.000 1.258 234 A HN 1.313 nan 8.150 nan 0.000 0.460 235 F N 0.672 120.641 119.950 0.031 0.000 2.507 235 F HA 0.670 5.198 4.527 0.001 0.000 0.325 235 F C -0.698 175.116 175.800 0.023 0.000 1.116 235 F CA -1.708 56.312 58.000 0.034 0.000 0.930 235 F CB 1.028 40.060 39.000 0.053 0.000 1.146 235 F HN 0.261 nan 8.300 nan 0.000 0.447 236 N N 7.367 125.729 118.700 -0.564 0.000 2.402 236 N HA 0.206 4.947 4.740 0.001 0.000 0.259 236 N C -2.075 172.830 175.510 -1.009 0.000 1.167 236 N CA -1.183 51.525 53.050 -0.569 0.000 0.949 236 N CB 0.566 38.874 38.487 -0.297 0.000 1.212 236 N HN 0.486 nan 8.380 nan 0.000 0.493 237 P HA -0.098 nan 4.420 nan 0.000 0.247 237 P C 0.830 177.993 177.300 -0.227 0.000 1.225 237 P CA 0.676 63.445 63.100 -0.550 0.000 0.768 237 P CB 0.041 31.774 31.700 0.055 0.000 1.020 238 T N -4.457 109.941 114.554 -0.259 0.000 2.821 238 T HA 0.171 4.522 4.350 0.001 0.000 0.267 238 T C 0.926 175.554 174.700 -0.120 0.000 1.046 238 T CA 1.744 63.759 62.100 -0.143 0.000 1.139 238 T CB -0.668 68.120 68.868 -0.133 0.000 0.871 238 T HN 0.474 nan 8.240 nan 0.000 0.454 239 Q N -0.808 118.889 119.800 -0.172 0.000 2.953 239 Q HA 0.564 4.905 4.340 0.001 0.000 0.293 239 Q C -0.096 175.835 176.000 -0.115 0.000 0.884 239 Q CA -0.487 55.251 55.803 -0.108 0.000 0.891 239 Q CB -1.040 27.663 28.738 -0.060 0.000 1.683 239 Q HN 2.261 nan 8.270 nan 0.000 0.578 240 A N -0.152 122.629 122.820 -0.066 0.000 2.435 240 A HA 0.519 4.840 4.320 0.001 0.000 0.686 240 A C 0.225 177.776 177.584 -0.055 0.000 0.138 240 A CA 1.348 53.348 52.037 -0.061 0.000 0.024 240 A CB -1.745 17.209 19.000 -0.077 0.000 3.974 240 A HN 2.745 nan 8.150 nan 0.000 0.548 241 E N -0.020 120.144 120.200 -0.059 0.000 8.931 241 E HA -0.188 4.162 4.350 0.001 0.000 0.466 241 E C 0.083 176.652 176.600 -0.052 0.000 1.268 241 E CA 1.264 57.617 56.400 -0.078 0.000 2.202 241 E CB -0.280 29.346 29.700 -0.124 0.000 1.018 241 E HN 0.915 nan 8.360 nan 0.000 0.378 242 E N 0.057 120.206 120.200 -0.085 0.000 2.374 242 E HA 0.147 4.498 4.350 0.001 0.000 0.260 242 E C 1.150 177.765 176.600 0.026 0.000 1.101 242 E CA 0.439 56.784 56.400 -0.092 0.000 0.907 242 E CB 0.671 30.274 29.700 -0.161 0.000 1.014 242 E HN 0.685 nan 8.360 nan 0.000 0.427 243 T N -1.193 113.432 114.554 0.119 0.000 2.953 243 T HA -0.058 4.293 4.350 0.001 0.000 0.247 243 T C 1.080 176.064 174.700 0.474 0.000 1.029 243 T CA 0.415 62.706 62.100 0.319 0.000 1.144 243 T CB -0.327 68.755 68.868 0.358 0.000 0.870 243 T HN 0.510 nan 8.240 nan 0.000 0.446 244 Y N 2.722 123.157 120.300 0.226 0.000 2.780 244 Y HA 0.713 5.264 4.550 0.001 0.000 0.449 244 Y C 0.136 176.171 175.900 0.224 0.000 1.395 244 Y CA -1.559 56.608 58.100 0.110 0.000 1.864 244 Y CB -0.302 38.159 38.460 0.001 0.000 1.728 244 Y HN 0.309 nan 8.280 nan 0.000 0.686 245 S N -1.145 114.673 115.700 0.197 0.000 2.616 245 S HA 0.266 4.737 4.470 0.001 0.000 0.276 245 S C 0.036 174.701 174.600 0.109 0.000 1.159 245 S CA -0.932 57.341 58.200 0.122 0.000 1.000 245 S CB 0.885 64.108 63.200 0.038 0.000 1.117 245 S HN 0.600 nan 8.310 nan 0.000 0.464 246 M N 2.063 121.722 119.600 0.097 0.000 2.115 246 M HA -0.117 4.363 4.480 0.001 0.000 0.258 246 M C 2.261 178.610 176.300 0.083 0.000 1.071 246 M CA 1.988 57.365 55.300 0.129 0.000 1.100 246 M CB -1.725 30.934 32.600 0.098 0.000 1.292 246 M HN 0.744 nan 8.290 nan 0.000 0.415 247 V N 0.405 120.352 119.914 0.056 0.000 2.257 247 V HA -0.378 3.743 4.120 0.001 0.000 0.257 247 V C 2.413 178.515 176.094 0.013 0.000 1.077 247 V CA 2.721 65.043 62.300 0.037 0.000 1.063 247 V CB -1.854 29.989 31.823 0.034 0.000 0.664 247 V HN 0.536 nan 8.190 nan 0.000 0.450 248 T N -0.039 114.500 114.554 -0.024 0.000 2.746 248 T HA -0.152 4.198 4.350 0.001 0.000 0.267 248 T C 2.032 176.666 174.700 -0.111 0.000 1.039 248 T CA 1.693 63.743 62.100 -0.083 0.000 1.142 248 T CB -0.532 68.240 68.868 -0.161 0.000 0.866 248 T HN 0.645 nan 8.240 nan 0.000 0.444 249 A N 2.677 125.439 122.820 -0.097 0.000 1.834 249 A HA -0.232 4.089 4.320 0.001 0.000 0.216 249 A C 2.274 179.788 177.584 -0.117 0.000 1.203 249 A CA 1.914 53.849 52.037 -0.170 0.000 0.621 249 A CB -1.160 17.857 19.000 0.029 0.000 0.841 249 A HN 0.499 nan 8.150 nan 0.000 0.446 250 N N -0.024 118.716 118.700 0.067 0.000 2.073 250 N HA -0.319 4.422 4.740 0.001 0.000 0.199 250 N C 2.030 177.614 175.510 0.123 0.000 1.023 250 N CA 3.180 56.320 53.050 0.150 0.000 0.880 250 N CB -0.487 38.072 38.487 0.119 0.000 1.052 250 N HN 0.525 nan 8.380 nan 0.000 0.449 251 R N 0.664 121.206 120.500 0.071 0.000 2.105 251 R HA -0.137 4.203 4.340 0.001 0.000 0.239 251 R C 2.380 178.739 176.300 0.097 0.000 1.135 251 R CA 1.686 57.830 56.100 0.074 0.000 0.967 251 R CB -1.852 28.477 30.300 0.047 0.000 0.861 251 R HN 0.522 nan 8.270 nan 0.000 0.442 252 F N -0.492 119.365 119.950 -0.155 0.000 2.010 252 F HA -0.258 4.269 4.527 0.001 0.000 0.296 252 F C 2.367 178.138 175.800 -0.049 0.000 1.146 252 F CA 2.160 60.020 58.000 -0.232 0.000 1.181 252 F CB -0.322 38.336 39.000 -0.570 0.000 0.965 252 F HN 0.417 nan 8.300 nan 0.000 0.480 253 W N 0.849 122.146 121.300 -0.005 0.000 2.298 253 W HA -0.345 4.315 4.660 0.001 0.000 0.328 253 W C 3.045 179.552 176.519 -0.019 0.000 1.259 253 W CA 1.203 58.504 57.345 -0.073 0.000 1.251 253 W CB -1.308 28.188 29.460 0.058 0.000 1.161 253 W HN 0.242 nan 8.180 nan 0.000 0.466 254 S N 0.728 116.613 115.700 0.308 0.000 2.393 254 S HA -0.397 4.074 4.470 0.001 0.000 0.234 254 S C 1.470 176.134 174.600 0.106 0.000 1.064 254 S CA 2.146 60.456 58.200 0.183 0.000 1.088 254 S CB -1.077 62.208 63.200 0.142 0.000 0.939 254 S HN 0.529 nan 8.310 nan 0.000 0.448 255 Q N 0.060 119.896 119.800 0.059 0.000 2.444 255 Q HA 0.351 4.691 4.340 0.001 0.000 0.206 255 Q C 1.707 177.695 176.000 -0.019 0.000 0.948 255 Q CA 0.531 56.343 55.803 0.016 0.000 0.946 255 Q CB -0.039 28.705 28.738 0.009 0.000 1.027 255 Q HN 0.671 nan 8.270 nan 0.000 0.513 256 I N -1.727 118.836 120.570 -0.012 0.000 3.523 256 I HA -0.032 4.139 4.170 0.001 0.000 0.244 256 I C 1.368 177.553 176.117 0.113 0.000 1.110 256 I CA 0.388 61.680 61.300 -0.013 0.000 1.517 256 I CB -0.023 37.880 38.000 -0.162 0.000 1.505 256 I HN 0.094 nan 8.210 nan 0.000 0.460 257 F N 1.561 121.516 119.950 0.009 0.000 2.530 257 F HA 0.265 4.793 4.527 0.001 0.000 0.292 257 F C 1.396 177.183 175.800 -0.021 0.000 1.109 257 F CA 0.915 58.897 58.000 -0.030 0.000 1.450 257 F CB 0.661 39.598 39.000 -0.104 0.000 1.114 257 F HN 0.244 nan 8.300 nan 0.000 0.560 258 G N 2.023 110.905 108.800 0.136 0.000 2.165 258 G HA2 -0.225 3.736 3.960 0.001 0.000 0.226 258 G HA3 -0.225 3.736 3.960 0.001 0.000 0.226 258 G C -0.227 174.724 174.900 0.086 0.000 1.035 258 G CA 0.124 45.245 45.100 0.036 0.000 0.744 258 G HN 0.382 nan 8.290 nan 0.000 0.501 259 I N -0.731 119.972 120.570 0.222 0.000 2.740 259 I HA 0.485 4.656 4.170 0.001 0.000 0.275 259 I C -0.322 175.935 176.117 0.233 0.000 1.453 259 I CA -0.085 61.343 61.300 0.212 0.000 1.151 259 I CB 1.568 39.696 38.000 0.213 0.000 1.477 259 I HN 0.622 nan 8.210 nan 0.000 0.428 260 A N 6.326 129.304 122.820 0.263 0.000 2.984 260 A HA 0.531 4.851 4.320 0.001 0.000 0.320 260 A C -1.104 176.674 177.584 0.324 0.000 1.142 260 A CA -0.255 51.983 52.037 0.335 0.000 0.772 260 A CB 0.302 19.575 19.000 0.455 0.000 1.195 260 A HN 0.543 nan 8.150 nan 0.000 0.459 261 F N 2.647 122.680 119.950 0.140 0.000 2.399 261 F HA 0.461 4.989 4.527 0.001 0.000 0.342 261 F C 1.196 177.112 175.800 0.193 0.000 1.106 261 F CA 0.692 58.784 58.000 0.154 0.000 1.196 261 F CB 1.154 40.256 39.000 0.171 0.000 1.163 261 F HN 0.586 nan 8.300 nan 0.000 0.547 262 S N 3.256 118.701 115.700 -0.425 0.000 2.646 262 S HA 0.372 4.843 4.470 0.001 0.000 0.273 262 S C -0.583 173.891 174.600 -0.209 0.000 1.168 262 S CA -0.462 57.587 58.200 -0.252 0.000 1.013 262 S CB 0.620 63.635 63.200 -0.307 0.000 1.098 262 S HN 0.798 nan 8.310 nan 0.000 0.544 263 N N 0.175 118.854 118.700 -0.036 0.000 2.765 263 N HA -0.100 4.641 4.740 0.001 0.000 0.254 263 N C 0.183 175.865 175.510 0.286 0.000 1.094 263 N CA 0.705 53.827 53.050 0.119 0.000 0.680 263 N CB -1.698 36.888 38.487 0.165 0.000 0.902 263 N HN 0.731 nan 8.380 nan 0.000 0.557 264 K N 0.069 120.632 120.400 0.273 0.000 2.207 264 K HA -0.300 4.020 4.320 0.001 0.000 0.208 264 K C 2.137 178.990 176.600 0.422 0.000 1.046 264 K CA 2.155 58.678 56.287 0.394 0.000 0.929 264 K CB -0.201 32.510 32.500 0.351 0.000 0.720 264 K HN 0.668 nan 8.250 nan 0.000 0.463 265 R N 0.813 121.494 120.500 0.302 0.000 2.377 265 R HA -0.131 4.210 4.340 0.001 0.000 0.207 265 R C 1.324 177.887 176.300 0.440 0.000 1.075 265 R CA 1.476 57.744 56.100 0.280 0.000 1.035 265 R CB -1.514 28.895 30.300 0.181 0.000 0.857 265 R HN 0.691 nan 8.270 nan 0.000 0.475 266 W N -1.196 120.268 121.300 0.273 0.000 3.283 266 W HA 0.139 4.800 4.660 0.001 0.000 0.235 266 W C 1.054 177.767 176.519 0.324 0.000 1.123 266 W CA -0.005 57.536 57.345 0.326 0.000 1.534 266 W CB 0.478 30.174 29.460 0.394 0.000 0.839 266 W HN 0.184 nan 8.180 nan 0.000 0.734 267 L N 0.688 122.025 121.223 0.190 0.000 2.131 267 L HA -0.217 4.124 4.340 0.001 0.000 0.210 267 L C 1.704 178.407 176.870 -0.278 0.000 1.092 267 L CA 1.451 56.220 54.840 -0.119 0.000 0.759 267 L CB -0.834 41.157 42.059 -0.113 0.000 0.903 267 L HN 0.008 nan 8.230 nan 0.000 0.435 268 H N -2.420 116.643 119.070 -0.013 0.000 2.548 268 H HA -0.026 4.531 4.556 0.001 0.000 0.265 268 H C 1.451 176.782 175.328 0.004 0.000 0.969 268 H CA 0.388 56.417 56.048 -0.032 0.000 1.155 268 H CB 0.189 29.962 29.762 0.018 0.000 1.394 268 H HN 0.201 nan 8.280 nan 0.000 0.570 269 F N -0.634 119.311 119.950 -0.007 0.000 2.274 269 F HA 0.027 4.555 4.527 0.001 0.000 0.288 269 F C 1.863 177.571 175.800 -0.153 0.000 1.069 269 F CA 0.200 58.182 58.000 -0.030 0.000 1.343 269 F CB -0.491 38.551 39.000 0.070 0.000 1.089 269 F HN 0.076 nan 8.300 nan 0.000 0.517 270 F N 0.937 120.515 119.950 -0.619 0.000 2.154 270 F HA -0.265 4.263 4.527 0.001 0.000 0.301 270 F C 2.188 177.722 175.800 -0.444 0.000 1.087 270 F CA 1.952 59.528 58.000 -0.706 0.000 1.274 270 F CB -0.372 38.130 39.000 -0.830 0.000 1.009 270 F HN -0.034 nan 8.300 nan 0.000 0.485 271 M N -0.764 118.698 119.600 -0.230 0.000 2.374 271 M HA -0.157 4.324 4.480 0.001 0.000 0.264 271 M C 2.134 178.290 176.300 -0.241 0.000 1.067 271 M CA 1.187 56.361 55.300 -0.210 0.000 1.103 271 M CB -0.248 32.218 32.600 -0.222 0.000 1.402 271 M HN 0.375 nan 8.290 nan 0.000 0.444 272 L N -1.028 119.995 121.223 -0.333 0.000 2.221 272 L HA -0.030 4.311 4.340 0.001 0.000 0.202 272 L C 2.276 178.910 176.870 -0.394 0.000 1.074 272 L CA 0.638 55.302 54.840 -0.293 0.000 0.795 272 L CB -0.256 41.663 42.059 -0.234 0.000 0.960 272 L HN 0.112 nan 8.230 nan 0.000 0.458 273 F N 0.407 119.872 119.950 -0.808 0.000 2.087 273 F HA -0.302 4.226 4.527 0.001 0.000 0.299 273 F C 2.080 177.609 175.800 -0.452 0.000 1.100 273 F CA 2.316 59.908 58.000 -0.680 0.000 1.226 273 F CB -0.478 38.029 39.000 -0.822 0.000 0.983 273 F HN -0.106 nan 8.300 nan 0.000 0.479 274 V N 1.031 120.735 119.914 -0.350 0.000 2.221 274 V HA -0.312 3.809 4.120 0.001 0.000 0.244 274 V C -0.101 175.827 176.094 -0.276 0.000 1.043 274 V CA 2.807 64.928 62.300 -0.297 0.000 0.996 274 V CB -2.072 29.586 31.823 -0.275 0.000 0.636 274 V HN 0.218 nan 8.190 nan 0.000 0.454 275 P HA -0.121 nan 4.420 nan 0.000 0.214 275 P C 1.914 179.130 177.300 -0.141 0.000 1.163 275 P CA 1.564 64.572 63.100 -0.154 0.000 0.889 275 P CB -0.172 31.459 31.700 -0.114 0.000 0.790 276 V N -0.364 119.464 119.914 -0.144 0.000 2.231 276 V HA -0.337 3.784 4.120 0.001 0.000 0.250 276 V C 2.296 178.404 176.094 0.022 0.000 1.058 276 V CA 2.872 65.151 62.300 -0.035 0.000 1.022 276 V CB -1.923 29.847 31.823 -0.089 0.000 0.640 276 V HN 0.217 nan 8.190 nan 0.000 0.445 277 T N 0.429 114.802 114.554 -0.302 0.000 2.555 277 T HA -0.209 4.142 4.350 0.001 0.000 0.264 277 T C 1.941 176.577 174.700 -0.108 0.000 1.083 277 T CA 1.969 63.855 62.100 -0.356 0.000 1.179 277 T CB -1.166 67.164 68.868 -0.898 0.000 0.863 277 T HN 0.652 nan 8.240 nan 0.000 0.412 278 G N 1.515 110.213 108.800 -0.169 0.000 2.597 278 G HA2 -0.259 3.702 3.960 0.001 0.000 0.222 278 G HA3 -0.259 3.702 3.960 0.001 0.000 0.222 278 G C 1.481 176.330 174.900 -0.085 0.000 1.135 278 G CA 1.113 46.140 45.100 -0.122 0.000 0.759 278 G HN 0.493 nan 8.290 nan 0.000 0.595 279 L N -1.944 119.232 121.223 -0.079 0.000 2.156 279 L HA 0.042 4.382 4.340 0.001 0.000 0.208 279 L C 2.708 179.487 176.870 -0.151 0.000 1.095 279 L CA 0.633 55.392 54.840 -0.134 0.000 0.770 279 L CB -0.344 41.594 42.059 -0.202 0.000 0.914 279 L HN 0.308 nan 8.230 nan 0.000 0.439 280 W N -0.400 120.860 121.300 -0.067 0.000 2.409 280 W HA -0.133 4.527 4.660 0.001 0.000 0.299 280 W C 2.647 179.192 176.519 0.044 0.000 1.203 280 W CA 0.567 57.902 57.345 -0.015 0.000 1.298 280 W CB -0.149 29.283 29.460 -0.046 0.000 1.127 280 W HN -0.002 nan 8.180 nan 0.000 0.528 281 M N 0.284 120.015 119.600 0.219 0.000 2.126 281 M HA -0.210 4.271 4.480 0.001 0.000 0.259 281 M C 2.387 178.844 176.300 0.263 0.000 1.073 281 M CA 2.301 57.692 55.300 0.152 0.000 1.103 281 M CB -2.262 30.300 32.600 -0.063 0.000 1.284 281 M HN 0.131 nan 8.290 nan 0.000 0.420 282 S N 0.540 116.305 115.700 0.109 0.000 2.462 282 S HA -0.094 4.377 4.470 0.001 0.000 0.243 282 S C 1.988 176.718 174.600 0.215 0.000 1.003 282 S CA 1.316 59.596 58.200 0.134 0.000 0.970 282 S CB -0.671 62.498 63.200 -0.051 0.000 0.762 282 S HN 0.448 nan 8.310 nan 0.000 0.510 283 A N 1.921 124.819 122.820 0.131 0.000 1.897 283 A HA 0.182 4.502 4.320 0.001 0.000 0.215 283 A C 2.182 179.856 177.584 0.151 0.000 1.181 283 A CA 1.195 53.271 52.037 0.065 0.000 0.620 283 A CB -0.703 18.210 19.000 -0.144 0.000 0.821 283 A HN 0.592 nan 8.150 nan 0.000 0.443 284 I N -0.023 120.695 120.570 0.248 0.000 2.163 284 I HA -0.232 3.939 4.170 0.001 0.000 0.243 284 I C 2.750 178.860 176.117 -0.012 0.000 1.085 284 I CA 1.088 62.491 61.300 0.172 0.000 1.347 284 I CB -0.899 37.336 38.000 0.392 0.000 1.044 284 I HN 0.388 nan 8.210 nan 0.000 0.408 285 G N 0.989 109.890 108.800 0.169 0.000 2.624 285 G HA2 -0.278 3.683 3.960 0.001 0.000 0.221 285 G HA3 -0.278 3.683 3.960 0.001 0.000 0.221 285 G C 1.640 176.744 174.900 0.339 0.000 1.169 285 G CA 1.600 46.825 45.100 0.208 0.000 0.771 285 G HN 0.303 nan 8.290 nan 0.000 0.598 286 V N 0.388 120.541 119.914 0.399 0.000 2.591 286 V HA -0.095 4.026 4.120 0.001 0.000 0.249 286 V C 2.978 179.125 176.094 0.087 0.000 1.053 286 V CA 1.180 63.604 62.300 0.207 0.000 1.068 286 V CB 0.028 31.977 31.823 0.210 0.000 0.689 286 V HN 0.264 nan 8.190 nan 0.000 0.462 287 V N 1.337 121.289 119.914 0.063 0.000 2.568 287 V HA -0.180 3.940 4.120 0.001 0.000 0.253 287 V C 2.511 178.580 176.094 -0.042 0.000 1.072 287 V CA 2.041 64.352 62.300 0.017 0.000 1.084 287 V CB -1.424 30.409 31.823 0.016 0.000 0.676 287 V HN 0.599 nan 8.190 nan 0.000 0.469 288 G N 0.136 108.893 108.800 -0.072 0.000 2.424 288 G HA2 -0.148 3.813 3.960 0.001 0.000 0.214 288 G HA3 -0.148 3.813 3.960 0.001 0.000 0.214 288 G C 1.432 176.253 174.900 -0.132 0.000 1.202 288 G CA 0.511 45.542 45.100 -0.114 0.000 0.793 288 G HN 0.477 nan 8.290 nan 0.000 0.534 289 L N 1.210 122.337 121.223 -0.159 0.000 2.447 289 L HA -0.058 4.283 4.340 0.001 0.000 0.225 289 L C 3.136 179.777 176.870 -0.381 0.000 1.148 289 L CA 0.510 55.152 54.840 -0.331 0.000 0.808 289 L CB -0.359 41.359 42.059 -0.567 0.000 0.928 289 L HN 0.320 nan 8.230 nan 0.000 0.448 290 A N -0.289 122.380 122.820 -0.251 0.000 2.066 290 A HA -0.016 4.305 4.320 0.001 0.000 0.218 290 A C 1.564 178.947 177.584 -0.334 0.000 1.157 290 A CA 1.034 52.852 52.037 -0.366 0.000 0.670 290 A CB -0.130 18.774 19.000 -0.160 0.000 0.804 290 A HN 0.353 nan 8.150 nan 0.000 0.453 291 L N -0.291 120.795 121.223 -0.228 0.000 3.141 291 L HA 0.302 4.642 4.340 0.001 0.000 0.267 291 L C 0.316 177.095 176.870 -0.152 0.000 1.281 291 L CA -0.070 54.666 54.840 -0.173 0.000 1.037 291 L CB -0.302 41.687 42.059 -0.117 0.000 1.407 291 L HN 0.285 nan 8.230 nan 0.000 0.566 292 N N -0.069 118.517 118.700 -0.191 0.000 2.690 292 N HA -0.237 4.504 4.740 0.001 0.000 0.249 292 N C 0.116 175.581 175.510 -0.074 0.000 1.125 292 N CA 0.807 53.784 53.050 -0.122 0.000 0.794 292 N CB -0.805 37.621 38.487 -0.102 0.000 1.152 292 N HN 0.334 nan 8.380 nan 0.000 0.571 293 L N 1.492 122.664 121.223 -0.084 0.000 2.407 293 L HA 0.137 4.478 4.340 0.001 0.000 0.282 293 L C 1.432 178.287 176.870 -0.025 0.000 1.110 293 L CA 0.248 55.062 54.840 -0.043 0.000 0.863 293 L CB 0.332 42.361 42.059 -0.050 0.000 1.207 293 L HN 0.191 nan 8.230 nan 0.000 0.454 294 R N 1.384 121.899 120.500 0.025 0.000 3.405 294 R HA 0.610 4.951 4.340 0.001 0.000 0.194 294 R C -0.115 176.255 176.300 0.116 0.000 1.259 294 R CA -0.828 55.318 56.100 0.076 0.000 0.805 294 R CB 0.462 30.811 30.300 0.083 0.000 1.390 294 R HN 0.234 nan 8.270 nan 0.000 0.447 295 S N -1.143 114.649 115.700 0.153 0.000 3.446 295 S HA 0.134 4.605 4.470 0.001 0.000 0.177 295 S C -0.563 174.130 174.600 0.155 0.000 0.834 295 S CA 0.040 58.308 58.200 0.114 0.000 1.201 295 S CB -0.420 62.839 63.200 0.097 0.000 0.765 295 S HN 0.580 nan 8.310 nan 0.000 0.761 296 Y N 2.820 123.113 120.300 -0.011 0.000 3.396 296 Y HA -0.303 4.248 4.550 0.001 0.000 0.214 296 Y C -1.062 174.854 175.900 0.028 0.000 1.203 296 Y CA 1.106 59.196 58.100 -0.017 0.000 1.401 296 Y CB -1.635 36.808 38.460 -0.029 0.000 1.409 296 Y HN 0.605 nan 8.280 nan 0.000 0.594 297 D N -2.996 117.407 120.400 0.005 0.000 2.365 297 D HA 0.050 4.691 4.640 0.001 0.000 0.131 297 D C -0.107 176.240 176.300 0.078 0.000 1.072 297 D CA -0.600 53.452 54.000 0.085 0.000 1.280 297 D CB -1.047 39.820 40.800 0.112 0.000 2.399 297 D HN -0.108 nan 8.370 nan 0.000 0.669 298 F N 1.702 121.698 119.950 0.076 0.000 2.206 298 F HA 0.212 4.740 4.527 0.001 0.000 0.298 298 F C 2.173 177.959 175.800 -0.023 0.000 1.090 298 F CA 1.268 59.240 58.000 -0.047 0.000 1.323 298 F CB -0.196 38.636 39.000 -0.281 0.000 1.028 298 F HN 0.651 nan 8.300 nan 0.000 0.492 299 I N -1.901 118.777 120.570 0.179 0.000 4.152 299 I HA -0.447 3.724 4.170 0.001 0.000 0.107 299 I C 1.752 177.902 176.117 0.056 0.000 0.454 299 I CA 0.875 62.237 61.300 0.104 0.000 1.240 299 I CB -1.501 36.552 38.000 0.089 0.000 1.101 299 I HN 0.138 nan 8.210 nan 0.000 0.179 300 S N 0.108 115.832 115.700 0.039 0.000 2.470 300 S HA -0.006 4.465 4.470 0.001 0.000 0.225 300 S C 1.491 176.051 174.600 -0.066 0.000 1.006 300 S CA 1.160 59.343 58.200 -0.029 0.000 0.934 300 S CB 0.121 63.282 63.200 -0.065 0.000 0.778 300 S HN 0.697 nan 8.310 nan 0.000 0.517 301 Q N 0.272 120.045 119.800 -0.044 0.000 2.392 301 Q HA 0.236 4.577 4.340 0.001 0.000 0.219 301 Q C 1.619 177.647 176.000 0.046 0.000 0.895 301 Q CA 0.222 56.003 55.803 -0.037 0.000 0.929 301 Q CB 0.152 28.895 28.738 0.008 0.000 1.077 301 Q HN 0.620 nan 8.270 nan 0.000 0.532 302 E N 0.544 120.805 120.200 0.101 0.000 2.347 302 E HA -0.075 4.276 4.350 0.001 0.000 0.196 302 E C 1.526 178.150 176.600 0.039 0.000 1.008 302 E CA 0.520 56.995 56.400 0.125 0.000 0.852 302 E CB 0.264 30.049 29.700 0.143 0.000 0.783 302 E HN 0.347 nan 8.360 nan 0.000 0.505 303 I N 0.341 120.905 120.570 -0.009 0.000 2.296 303 I HA -0.173 3.998 4.170 0.001 0.000 0.242 303 I C 2.879 178.934 176.117 -0.105 0.000 1.087 303 I CA 0.885 62.160 61.300 -0.041 0.000 1.393 303 I CB -0.225 37.751 38.000 -0.041 0.000 1.093 303 I HN 0.013 nan 8.210 nan 0.000 0.421 304 R N 1.043 121.429 120.500 -0.190 0.000 2.241 304 R HA 0.050 4.390 4.340 0.001 0.000 0.224 304 R C 1.997 178.025 176.300 -0.454 0.000 1.101 304 R CA 1.420 57.306 56.100 -0.355 0.000 0.995 304 R CB -1.512 28.475 30.300 -0.521 0.000 0.870 304 R HN 0.545 nan 8.270 nan 0.000 0.463 305 A N -0.399 122.268 122.820 -0.255 0.000 2.147 305 A HA 0.561 4.882 4.320 0.001 0.000 0.211 305 A C 2.406 180.003 177.584 0.021 0.000 1.160 305 A CA 0.809 52.824 52.037 -0.036 0.000 0.781 305 A CB -0.039 19.106 19.000 0.243 0.000 0.842 305 A HN 0.783 nan 8.150 nan 0.000 0.475 306 A N -0.369 122.443 122.820 -0.014 0.000 2.251 306 A HA 0.142 4.463 4.320 0.001 0.000 0.209 306 A C 1.698 179.275 177.584 -0.013 0.000 1.187 306 A CA 1.111 53.149 52.037 0.001 0.000 0.823 306 A CB -0.174 18.826 19.000 0.001 0.000 0.846 306 A HN 0.644 nan 8.150 nan 0.000 0.486 307 E N -0.408 119.769 120.200 -0.038 0.000 2.228 307 E HA -0.023 4.327 4.350 0.001 0.000 0.197 307 E C -0.572 176.015 176.600 -0.021 0.000 0.909 307 E CA 0.061 56.439 56.400 -0.037 0.000 0.911 307 E CB 0.144 29.806 29.700 -0.064 0.000 0.887 307 E HN 0.246 nan 8.360 nan 0.000 0.481 308 D N 1.641 122.024 120.400 -0.027 0.000 2.468 308 D HA 0.153 4.794 4.640 0.001 0.000 0.218 308 D C -2.034 174.321 176.300 0.091 0.000 1.155 308 D CA -2.323 51.695 54.000 0.030 0.000 0.924 308 D CB 1.640 42.460 40.800 0.033 0.000 1.029 308 D HN 0.063 nan 8.370 nan 0.000 0.515 309 P HA -0.002 nan 4.420 nan 0.000 0.242 309 P C -0.103 177.240 177.300 0.072 0.000 1.197 309 P CA 0.614 63.752 63.100 0.064 0.000 0.765 309 P CB 0.336 32.057 31.700 0.035 0.000 0.936 310 E N -1.080 119.173 120.200 0.088 0.000 2.511 310 E HA 0.150 4.501 4.350 0.001 0.000 0.214 310 E C -0.569 176.104 176.600 0.122 0.000 1.062 310 E CA -0.414 56.027 56.400 0.070 0.000 1.213 310 E CB -0.121 29.607 29.700 0.046 0.000 1.214 310 E HN 0.254 nan 8.360 nan 0.000 0.441 311 F N 1.539 121.479 119.950 -0.016 0.000 2.436 311 F HA 0.354 4.882 4.527 0.001 0.000 0.340 311 F C -0.367 175.423 175.800 -0.017 0.000 1.113 311 F CA -0.567 57.425 58.000 -0.014 0.000 1.022 311 F CB 1.211 40.209 39.000 -0.004 0.000 1.128 311 F HN -0.155 nan 8.300 nan 0.000 0.466 312 E N 3.861 123.697 120.200 -0.608 0.000 2.349 312 E HA 0.286 4.637 4.350 0.001 0.000 0.290 312 E C -1.580 174.716 176.600 -0.506 0.000 0.901 312 E CA -0.561 55.579 56.400 -0.433 0.000 0.800 312 E CB 1.539 31.088 29.700 -0.252 0.000 1.303 312 E HN 0.675 nan 8.360 nan 0.000 0.397 313 T N 0.265 114.589 114.554 -0.385 0.000 2.907 313 T HA 0.382 4.733 4.350 0.001 0.000 0.292 313 T C 0.514 175.153 174.700 -0.101 0.000 1.043 313 T CA -0.712 61.248 62.100 -0.232 0.000 1.003 313 T CB 0.649 69.450 68.868 -0.112 0.000 1.084 313 T HN 0.336 nan 8.240 nan 0.000 0.483 314 F N 0.361 120.315 119.950 0.006 0.000 2.529 314 F HA 0.025 4.552 4.527 0.001 0.000 0.297 314 F C 1.844 177.688 175.800 0.073 0.000 1.114 314 F CA 0.805 58.820 58.000 0.023 0.000 1.467 314 F CB -0.446 38.571 39.000 0.029 0.000 1.096 314 F HN 0.787 nan 8.300 nan 0.000 0.586 315 Y N 0.749 121.130 120.300 0.134 0.000 2.243 315 Y HA -0.193 4.358 4.550 0.001 0.000 0.293 315 Y C 2.703 178.631 175.900 0.046 0.000 1.124 315 Y CA 1.733 59.907 58.100 0.123 0.000 1.159 315 Y CB -0.681 37.895 38.460 0.194 0.000 1.008 315 Y HN 0.073 nan 8.280 nan 0.000 0.527 316 T N -1.789 112.800 114.554 0.058 0.000 2.904 316 T HA -0.097 4.254 4.350 0.001 0.000 0.267 316 T C 1.677 176.294 174.700 -0.139 0.000 1.059 316 T CA 1.317 63.364 62.100 -0.089 0.000 1.137 316 T CB -0.308 68.597 68.868 0.062 0.000 0.879 316 T HN 0.327 nan 8.240 nan 0.000 0.467 317 K N 1.272 121.619 120.400 -0.089 0.000 2.026 317 K HA -0.062 4.258 4.320 0.001 0.000 0.208 317 K C 2.318 178.870 176.600 -0.080 0.000 1.048 317 K CA 1.581 57.824 56.287 -0.075 0.000 0.929 317 K CB -0.320 32.153 32.500 -0.045 0.000 0.713 317 K HN 0.307 nan 8.250 nan 0.000 0.439 318 N N 1.396 120.051 118.700 -0.076 0.000 2.149 318 N HA -0.144 4.596 4.740 0.001 0.000 0.188 318 N C 1.818 177.231 175.510 -0.161 0.000 1.019 318 N CA 0.933 53.932 53.050 -0.086 0.000 0.857 318 N CB -0.350 38.099 38.487 -0.063 0.000 0.997 318 N HN 0.125 nan 8.380 nan 0.000 0.426 319 L N 0.355 121.396 121.223 -0.303 0.000 2.131 319 L HA -0.082 4.259 4.340 0.001 0.000 0.210 319 L C 2.094 178.871 176.870 -0.155 0.000 1.092 319 L CA 0.664 55.294 54.840 -0.351 0.000 0.759 319 L CB -0.182 41.546 42.059 -0.551 0.000 0.903 319 L HN 0.176 nan 8.230 nan 0.000 0.435 320 L N -0.946 120.203 121.223 -0.124 0.000 2.044 320 L HA -0.224 4.117 4.340 0.001 0.000 0.205 320 L C 2.441 179.269 176.870 -0.070 0.000 1.075 320 L CA 1.098 55.892 54.840 -0.076 0.000 0.747 320 L CB -0.348 41.671 42.059 -0.066 0.000 0.903 320 L HN 0.247 nan 8.230 nan 0.000 0.435 321 L N -0.388 120.790 121.223 -0.075 0.000 1.971 321 L HA -0.286 4.055 4.340 0.001 0.000 0.215 321 L C 2.333 179.145 176.870 -0.096 0.000 1.072 321 L CA 1.363 56.154 54.840 -0.081 0.000 0.758 321 L CB -1.001 41.019 42.059 -0.066 0.000 0.889 321 L HN 0.323 nan 8.230 nan 0.000 0.433 322 N N 0.272 118.926 118.700 -0.077 0.000 2.144 322 N HA -0.254 4.487 4.740 0.001 0.000 0.195 322 N C 1.708 177.097 175.510 -0.203 0.000 1.006 322 N CA 1.810 54.800 53.050 -0.101 0.000 0.880 322 N CB -0.297 38.246 38.487 0.094 0.000 1.018 322 N HN 0.517 nan 8.380 nan 0.000 0.443 323 E N -0.989 119.134 120.200 -0.127 0.000 2.230 323 E HA 0.076 4.427 4.350 0.001 0.000 0.192 323 E C 2.057 178.572 176.600 -0.142 0.000 0.987 323 E CA 0.696 56.999 56.400 -0.162 0.000 0.841 323 E CB -0.156 29.498 29.700 -0.075 0.000 0.783 323 E HN 0.400 nan 8.360 nan 0.000 0.481 324 G N 1.311 110.058 108.800 -0.089 0.000 2.408 324 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 324 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 324 G C 1.592 176.483 174.900 -0.015 0.000 1.150 324 G CA 0.346 45.443 45.100 -0.004 0.000 0.776 324 G HN 0.100 nan 8.290 nan 0.000 0.542 325 I N 0.007 120.489 120.570 -0.148 0.000 2.226 325 I HA -0.143 4.028 4.170 0.001 0.000 0.245 325 I C 3.033 178.995 176.117 -0.258 0.000 1.100 325 I CA 0.899 62.094 61.300 -0.175 0.000 1.374 325 I CB -0.214 37.653 38.000 -0.222 0.000 1.057 325 I HN 0.082 nan 8.210 nan 0.000 0.413 326 R N 0.741 120.954 120.500 -0.479 0.000 2.073 326 R HA -0.141 4.199 4.340 0.001 0.000 0.234 326 R C 2.507 178.577 176.300 -0.384 0.000 1.134 326 R CA 1.617 57.324 56.100 -0.654 0.000 0.952 326 R CB -0.497 29.250 30.300 -0.922 0.000 0.850 326 R HN 0.364 nan 8.270 nan 0.000 0.433 327 A N 0.196 122.815 122.820 -0.336 0.000 1.877 327 A HA -0.181 4.140 4.320 0.001 0.000 0.216 327 A C 1.676 178.974 177.584 -0.476 0.000 1.186 327 A CA 1.337 53.070 52.037 -0.506 0.000 0.620 327 A CB -0.725 18.039 19.000 -0.394 0.000 0.822 327 A HN 0.422 nan 8.150 nan 0.000 0.443 328 W N -1.113 120.009 121.300 -0.297 0.000 2.481 328 W HA 0.119 4.779 4.660 0.001 0.000 0.293 328 W C 2.494 178.936 176.519 -0.128 0.000 1.201 328 W CA 0.945 58.179 57.345 -0.185 0.000 1.328 328 W CB -0.512 28.871 29.460 -0.127 0.000 1.112 328 W HN 0.267 nan 8.180 nan 0.000 0.546 329 M N 0.742 120.409 119.600 0.112 0.000 2.067 329 M HA -0.131 4.350 4.480 0.001 0.000 0.260 329 M C 2.045 178.376 176.300 0.051 0.000 1.069 329 M CA 2.184 57.531 55.300 0.078 0.000 1.117 329 M CB -0.988 31.643 32.600 0.051 0.000 1.334 329 M HN -0.001 nan 8.290 nan 0.000 0.407 330 A N 1.206 124.017 122.820 -0.014 0.000 2.816 330 A HA -0.290 4.031 4.320 0.001 0.000 0.346 330 A C -0.838 176.728 177.584 -0.029 0.000 0.763 330 A CA 2.231 54.233 52.037 -0.057 0.000 1.372 330 A CB -2.649 16.264 19.000 -0.145 0.000 0.674 330 A HN 0.417 nan 8.150 nan 0.000 0.477 331 P HA -0.228 nan 4.420 nan 0.000 0.221 331 P C 1.353 178.694 177.300 0.068 0.000 1.145 331 P CA 1.972 65.091 63.100 0.033 0.000 0.812 331 P CB -0.089 31.738 31.700 0.212 0.000 0.755 332 Q N -1.642 118.201 119.800 0.072 0.000 2.123 332 Q HA -0.103 4.237 4.340 0.001 0.000 0.196 332 Q C 1.826 177.878 176.000 0.087 0.000 0.958 332 Q CA 0.903 56.753 55.803 0.079 0.000 0.841 332 Q CB -0.764 28.029 28.738 0.092 0.000 0.915 332 Q HN 0.409 nan 8.270 nan 0.000 0.455 333 D N 1.355 121.815 120.400 0.101 0.000 2.119 333 D HA -0.153 4.488 4.640 0.001 0.000 0.199 333 D C 0.473 176.862 176.300 0.148 0.000 0.987 333 D CA 1.701 55.783 54.000 0.137 0.000 0.858 333 D CB 0.342 41.251 40.800 0.181 0.000 1.008 333 D HN 0.217 nan 8.370 nan 0.000 0.450 334 Q N 0.546 120.443 119.800 0.161 0.000 2.506 334 Q HA 0.358 4.699 4.340 0.001 0.000 0.242 334 Q C -2.146 173.942 176.000 0.146 0.000 1.060 334 Q CA -1.365 54.578 55.803 0.233 0.000 0.826 334 Q CB 1.259 30.232 28.738 0.392 0.000 1.169 334 Q HN 0.145 nan 8.270 nan 0.000 0.521 335 P HA -0.176 nan 4.420 nan 0.000 0.231 335 P C 1.170 178.490 177.300 0.033 0.000 1.158 335 P CA 0.794 63.919 63.100 0.042 0.000 0.763 335 P CB 0.073 31.745 31.700 -0.047 0.000 0.805 336 H N 0.984 119.991 119.070 -0.104 0.000 2.444 336 H HA -0.172 4.385 4.556 0.001 0.000 0.294 336 H C 0.261 175.569 175.328 -0.034 0.000 1.125 336 H CA 1.509 57.468 56.048 -0.148 0.000 1.230 336 H CB 0.245 29.902 29.762 -0.174 0.000 1.361 336 H HN 0.284 nan 8.280 nan 0.000 0.508 337 E N -1.586 118.790 120.200 0.293 0.000 2.445 337 E HA 0.447 4.798 4.350 0.001 0.000 0.273 337 E C -0.465 176.217 176.600 0.137 0.000 0.961 337 E CA -0.479 56.045 56.400 0.206 0.000 0.807 337 E CB 0.585 30.454 29.700 0.281 0.000 1.362 337 E HN 0.340 nan 8.360 nan 0.000 0.453 338 N N 0.848 119.505 118.700 -0.071 0.000 2.472 338 N HA 0.489 5.229 4.740 0.001 0.000 0.277 338 N C -1.464 173.902 175.510 -0.240 0.000 1.081 338 N CA -0.278 52.720 53.050 -0.087 0.000 0.973 338 N CB 0.398 38.802 38.487 -0.139 0.000 1.105 338 N HN 0.323 nan 8.380 nan 0.000 0.470 339 F N 1.153 121.028 119.950 -0.126 0.000 2.579 339 F HA 0.504 5.032 4.527 0.001 0.000 0.325 339 F C -0.308 175.359 175.800 -0.222 0.000 1.162 339 F CA -0.663 57.191 58.000 -0.243 0.000 0.946 339 F CB 2.436 41.366 39.000 -0.117 0.000 1.211 339 F HN 0.337 nan 8.300 nan 0.000 0.447 340 V N 5.173 124.967 119.914 -0.200 0.000 2.564 340 V HA 0.202 4.322 4.120 0.001 0.000 0.259 340 V C -0.664 175.353 176.094 -0.128 0.000 0.936 340 V CA -0.708 61.538 62.300 -0.091 0.000 0.867 340 V CB 0.210 31.982 31.823 -0.086 0.000 1.076 340 V HN 0.485 nan 8.190 nan 0.000 0.476 341 F N 3.660 123.620 119.950 0.016 0.000 2.512 341 F HA 0.328 4.856 4.527 0.001 0.000 0.350 341 F C -1.237 174.510 175.800 -0.090 0.000 1.212 341 F CA -1.609 56.367 58.000 -0.040 0.000 1.099 341 F CB -0.052 38.902 39.000 -0.076 0.000 1.238 341 F HN 0.256 nan 8.300 nan 0.000 0.600 342 P HA -0.096 nan 4.420 nan 0.000 0.269 342 P C 0.642 177.929 177.300 -0.021 0.000 1.205 342 P CA 0.325 63.430 63.100 0.009 0.000 0.780 342 P CB 0.648 32.346 31.700 -0.004 0.000 0.858 343 E N 0.107 120.281 120.200 -0.044 0.000 2.444 343 E HA -0.195 4.155 4.350 0.001 0.000 0.204 343 E C -0.031 176.523 176.600 -0.077 0.000 1.049 343 E CA 1.148 57.502 56.400 -0.075 0.000 0.872 343 E CB -0.538 29.139 29.700 -0.038 0.000 0.791 343 E HN 0.511 nan 8.360 nan 0.000 0.548 344 E N -0.073 120.096 120.200 -0.051 0.000 1.979 344 E HA 0.093 4.444 4.350 0.001 0.000 0.285 344 E C -0.427 176.131 176.600 -0.071 0.000 1.188 344 E CA -0.122 56.254 56.400 -0.040 0.000 1.214 344 E CB 0.617 30.308 29.700 -0.015 0.000 1.210 344 E HN -0.043 nan 8.360 nan 0.000 0.477 345 V N 1.754 121.576 119.914 -0.153 0.000 3.177 345 V HA 0.117 4.238 4.120 0.001 0.000 0.342 345 V C 1.079 177.034 176.094 -0.232 0.000 1.379 345 V CA 0.681 62.794 62.300 -0.312 0.000 1.191 345 V CB -0.474 30.949 31.823 -0.666 0.000 1.167 345 V HN 0.658 nan 8.190 nan 0.000 0.471 346 L N -2.955 118.245 121.223 -0.039 0.000 4.793 346 L HA -0.119 4.221 4.340 0.001 0.000 0.404 346 L C 0.007 177.010 176.870 0.222 0.000 1.022 346 L CA 1.364 56.246 54.840 0.069 0.000 1.242 346 L CB -2.912 39.170 42.059 0.038 0.000 2.049 346 L HN 0.463 nan 8.230 nan 0.000 0.637 347 P HA 0.898 nan 4.420 nan 0.000 0.206 347 P C 0.942 178.311 177.300 0.115 0.000 1.093 347 P CA 3.510 66.784 63.100 0.290 0.000 0.703 347 P CB 0.017 31.916 31.700 0.331 0.000 0.622 348 R N -3.531 117.019 120.500 0.083 0.000 1.067 348 R HA 0.442 4.783 4.340 0.001 0.000 0.430 348 R C 1.293 177.603 176.300 0.018 0.000 1.313 348 R CA 0.738 56.862 56.100 0.040 0.000 0.711 348 R CB -2.267 28.050 30.300 0.028 0.000 2.623 348 R HN 2.525 nan 8.270 nan 0.000 0.523 349 G N -0.495 108.314 108.800 0.014 0.000 4.794 349 G HA2 0.308 4.269 3.960 0.001 0.000 0.275 349 G HA3 0.308 4.269 3.960 0.001 0.000 0.275 349 G C 0.971 175.873 174.900 0.003 0.000 1.648 349 G CA 1.538 46.640 45.100 0.003 0.000 1.154 349 G HN 2.634 nan 8.290 nan 0.000 0.680 350 N N 0.000 118.697 118.700 -0.005 0.000 1.763 350 N HA 0.000 4.741 4.740 0.001 0.000 0.220 350 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 350 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 350 N HN 0.000 nan 8.380 nan 0.000 0.667