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 1pnv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRVLITGCGS RGDTEPLVAL AARLRELGAD ARMCLPPDYV ERCAEVGVPM DATA SEQUENCE VPVGRAVRAG AREPGELPPG AAEVVTEVVA EWFDKVPAAI EGCDAVVTTG DATA SEQUENCE LLPAAVAVRS MAEKLGIPYR YTVLSPDHLP SEQSQAERDM YNQGADRLFG DATA SEQUENCE DAVNSHRASI GLPPVEHLYD YGYTDQPWLA ADPVLSPLRP TDLGTVQTGA DATA SEQUENCE WILPDERPLS AELEAFLAAG STPVYVGFGS SSRPATADAA KMAIKAVRAS DATA SEQUENCE GRRIVLSRGW ADLVLPDDGA DCFVVGEVNL QELFGRVAAA IHHDSAGTTL DATA SEQUENCE LAMRAGIPQI VVRRVXXXXX XXAYHADRVA ELGVGVAVDG PVPTIDSLSA DATA SEQUENCE ALDTALAPEI RARATTVADT IRADGTTVAA QLLFDAVSLE K 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 0.000 176.309 176.300 0.015 0.000 1.140 1 M CA 0.000 55.271 55.300 -0.048 0.000 0.988 1 M CB 0.000 32.568 32.600 -0.053 0.000 1.302 2 R N 0.657 121.168 120.500 0.018 0.000 2.393 2 R HA 0.857 5.197 4.340 -0.001 0.000 0.315 2 R C -1.501 174.818 176.300 0.032 0.000 0.952 2 R CA -0.702 55.411 56.100 0.023 0.000 0.842 2 R CB 1.073 31.379 30.300 0.011 0.000 1.163 2 R HN 0.666 nan 8.270 nan 0.000 0.450 3 V N 2.573 122.506 119.914 0.032 0.000 2.604 3 V HA 0.609 4.729 4.120 -0.001 0.000 0.305 3 V C -0.577 175.521 176.094 0.006 0.000 1.043 3 V CA -1.148 61.166 62.300 0.023 0.000 0.888 3 V CB 1.643 33.481 31.823 0.025 0.000 0.995 3 V HN 0.798 nan 8.190 nan 0.000 0.429 4 L N 5.695 126.922 121.223 0.005 0.000 2.275 4 L HA 0.646 4.986 4.340 -0.001 0.000 0.288 4 L C -0.572 176.294 176.870 -0.006 0.000 1.046 4 L CA 0.178 55.022 54.840 0.007 0.000 0.805 4 L CB 0.919 42.994 42.059 0.026 0.000 1.193 4 L HN 0.585 nan 8.230 nan 0.000 0.426 5 I N 5.056 125.620 120.570 -0.010 0.000 2.437 5 I HA 0.316 4.486 4.170 -0.001 0.000 0.279 5 I C 0.089 176.211 176.117 0.008 0.000 1.028 5 I CA -0.386 60.901 61.300 -0.022 0.000 1.142 5 I CB 1.459 39.433 38.000 -0.043 0.000 1.266 5 I HN 0.696 nan 8.210 nan 0.000 0.461 6 T N 1.983 116.560 114.554 0.038 0.000 2.948 6 T HA 0.941 5.290 4.350 -0.001 0.000 0.285 6 T C -0.045 174.690 174.700 0.059 0.000 1.019 6 T CA -0.825 61.352 62.100 0.128 0.000 1.013 6 T CB 2.261 71.300 68.868 0.285 0.000 1.117 6 T HN 0.812 nan 8.240 nan 0.000 0.533 7 G N -1.277 107.596 108.800 0.122 0.000 2.429 7 G HA2 0.457 4.417 3.960 -0.001 0.000 0.300 7 G HA3 0.457 4.417 3.960 -0.001 0.000 0.300 7 G C -1.528 173.388 174.900 0.028 0.000 1.598 7 G CA -0.378 44.705 45.100 -0.027 0.000 0.863 7 G HN 1.142 nan 8.290 nan 0.000 0.614 8 C N 1.683 120.940 119.300 -0.071 0.000 2.442 8 C HA 1.027 5.487 4.460 -0.001 0.000 0.335 8 C C 0.598 175.582 174.990 -0.011 0.000 1.134 8 C CA 1.094 60.119 59.018 0.011 0.000 1.344 8 C CB 0.132 27.840 27.740 -0.053 0.000 1.956 8 C HN 2.199 nan 8.230 nan 0.000 0.438 9 G N 3.581 112.410 108.800 0.049 0.000 2.325 9 G HA2 0.503 4.462 3.960 -0.001 0.000 0.295 9 G HA3 0.503 4.462 3.960 -0.001 0.000 0.295 9 G C -0.493 174.500 174.900 0.154 0.000 1.274 9 G CA 0.221 45.361 45.100 0.066 0.000 0.857 9 G HN 1.472 nan 8.290 nan 0.000 0.499 10 S N -0.612 115.166 115.700 0.130 0.000 2.617 10 S HA 0.267 4.736 4.470 -0.001 0.000 0.255 10 S C 1.558 176.289 174.600 0.218 0.000 1.318 10 S CA 0.585 58.886 58.200 0.168 0.000 0.978 10 S CB 1.257 64.519 63.200 0.104 0.000 0.961 10 S HN 0.912 nan 8.310 nan 0.000 0.582 11 R N 0.121 120.747 120.500 0.211 0.000 2.115 11 R HA -0.048 4.291 4.340 -0.001 0.000 0.230 11 R C 2.266 178.640 176.300 0.123 0.000 1.111 11 R CA 1.356 57.589 56.100 0.221 0.000 0.976 11 R CB -1.299 29.091 30.300 0.150 0.000 0.870 11 R HN 0.870 nan 8.270 nan 0.000 0.445 12 G N 0.966 109.814 108.800 0.080 0.000 2.421 12 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.216 12 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.216 12 G C 0.682 175.581 174.900 -0.002 0.000 1.171 12 G CA 1.192 46.313 45.100 0.034 0.000 0.775 12 G HN 0.607 nan 8.290 nan 0.000 0.543 13 D N -1.191 119.201 120.400 -0.013 0.000 2.339 13 D HA 0.137 4.777 4.640 -0.001 0.000 0.217 13 D C 1.806 178.065 176.300 -0.069 0.000 1.050 13 D CA 0.575 54.534 54.000 -0.067 0.000 0.856 13 D CB 0.132 40.875 40.800 -0.094 0.000 0.922 13 D HN 0.215 nan 8.370 nan 0.000 0.518 14 T N -0.387 114.142 114.554 -0.041 0.000 3.042 14 T HA -0.018 4.332 4.350 -0.001 0.000 0.245 14 T C 1.558 176.224 174.700 -0.056 0.000 1.029 14 T CA 0.163 62.191 62.100 -0.121 0.000 1.120 14 T CB 0.175 68.850 68.868 -0.321 0.000 0.917 14 T HN -0.046 nan 8.240 nan 0.000 0.467 15 E N 1.262 121.479 120.200 0.029 0.000 2.171 15 E HA -0.096 4.254 4.350 -0.001 0.000 0.197 15 E C -0.741 175.895 176.600 0.061 0.000 0.997 15 E CA 1.386 57.820 56.400 0.056 0.000 0.810 15 E CB -1.220 28.522 29.700 0.070 0.000 0.738 15 E HN 0.389 nan 8.360 nan 0.000 0.467 16 P HA -0.112 nan 4.420 nan 0.000 0.216 16 P C 1.664 179.117 177.300 0.254 0.000 1.153 16 P CA 0.939 64.155 63.100 0.194 0.000 0.848 16 P CB -0.101 31.681 31.700 0.138 0.000 0.787 17 L N -1.147 120.168 121.223 0.152 0.000 2.042 17 L HA -0.150 4.190 4.340 -0.001 0.000 0.210 17 L C 2.281 179.147 176.870 -0.006 0.000 1.076 17 L CA 1.435 56.323 54.840 0.080 0.000 0.749 17 L CB -1.274 40.785 42.059 0.000 0.000 0.893 17 L HN -0.117 nan 8.230 nan 0.000 0.432 18 V N 0.186 120.096 119.914 -0.008 0.000 2.594 18 V HA -0.255 3.865 4.120 -0.001 0.000 0.253 18 V C 2.694 178.774 176.094 -0.024 0.000 1.069 18 V CA 1.683 63.974 62.300 -0.016 0.000 1.082 18 V CB -0.811 31.018 31.823 0.010 0.000 0.680 18 V HN 0.475 nan 8.190 nan 0.000 0.469 19 A N -0.174 122.642 122.820 -0.006 0.000 1.930 19 A HA -0.089 4.231 4.320 -0.001 0.000 0.215 19 A C 2.101 179.603 177.584 -0.136 0.000 1.176 19 A CA 1.610 53.630 52.037 -0.030 0.000 0.632 19 A CB -0.401 18.623 19.000 0.040 0.000 0.819 19 A HN 0.451 nan 8.150 nan 0.000 0.445 20 L N -0.089 120.994 121.223 -0.233 0.000 2.027 20 L HA 0.017 4.356 4.340 -0.001 0.000 0.206 20 L C 2.581 179.279 176.870 -0.288 0.000 1.074 20 L CA 2.177 56.731 54.840 -0.477 0.000 0.745 20 L CB -0.939 40.648 42.059 -0.786 0.000 0.898 20 L HN 0.315 nan 8.230 nan 0.000 0.433 21 A N 0.017 122.728 122.820 -0.182 0.000 1.851 21 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 21 A C 2.488 180.017 177.584 -0.092 0.000 1.195 21 A CA 2.359 54.327 52.037 -0.115 0.000 0.622 21 A CB -1.490 17.465 19.000 -0.074 0.000 0.831 21 A HN 0.619 nan 8.150 nan 0.000 0.444 22 A N -0.682 122.091 122.820 -0.077 0.000 1.978 22 A HA -0.200 4.120 4.320 -0.001 0.000 0.220 22 A C 2.180 179.721 177.584 -0.072 0.000 1.170 22 A CA 2.377 54.379 52.037 -0.058 0.000 0.636 22 A CB -0.435 18.539 19.000 -0.043 0.000 0.810 22 A HN 0.497 nan 8.150 nan 0.000 0.448 23 R N -0.068 120.365 120.500 -0.112 0.000 2.073 23 R HA 0.100 4.439 4.340 -0.001 0.000 0.229 23 R C 1.826 178.054 176.300 -0.120 0.000 1.120 23 R CA 1.431 57.455 56.100 -0.125 0.000 0.967 23 R CB -0.933 29.256 30.300 -0.186 0.000 0.862 23 R HN 0.469 nan 8.270 nan 0.000 0.436 24 L N 0.233 121.373 121.223 -0.139 0.000 2.127 24 L HA -0.155 4.185 4.340 -0.001 0.000 0.211 24 L C 2.525 179.384 176.870 -0.018 0.000 1.089 24 L CA 1.640 56.422 54.840 -0.097 0.000 0.757 24 L CB -0.323 41.680 42.059 -0.092 0.000 0.899 24 L HN 0.194 nan 8.230 nan 0.000 0.434 25 R N -0.004 120.479 120.500 -0.028 0.000 2.057 25 R HA -0.131 4.209 4.340 -0.001 0.000 0.229 25 R C 2.074 178.373 176.300 -0.002 0.000 1.136 25 R CA 1.318 57.414 56.100 -0.006 0.000 0.952 25 R CB -0.390 29.901 30.300 -0.014 0.000 0.848 25 R HN 0.412 nan 8.270 nan 0.000 0.430 26 E N 0.845 121.033 120.200 -0.019 0.000 2.284 26 E HA -0.188 4.162 4.350 -0.001 0.000 0.200 26 E C 1.173 177.773 176.600 0.001 0.000 1.008 26 E CA 0.853 57.244 56.400 -0.015 0.000 0.829 26 E CB -0.093 29.589 29.700 -0.029 0.000 0.744 26 E HN 0.349 nan 8.360 nan 0.000 0.491 27 L N 0.048 121.279 121.223 0.014 0.000 2.791 27 L HA 0.227 4.566 4.340 -0.001 0.000 0.239 27 L C 0.725 177.659 176.870 0.107 0.000 1.203 27 L CA -0.228 54.649 54.840 0.061 0.000 1.002 27 L CB 0.095 42.191 42.059 0.062 0.000 1.295 27 L HN 0.101 nan 8.230 nan 0.000 0.504 28 G N 1.380 110.217 108.800 0.062 0.000 2.367 28 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.295 28 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.295 28 G C -0.039 174.903 174.900 0.071 0.000 1.019 28 G CA 0.288 45.419 45.100 0.051 0.000 1.224 28 G HN 0.554 nan 8.290 nan 0.000 0.510 29 A N 0.491 123.359 122.820 0.080 0.000 2.408 29 A HA 0.642 4.961 4.320 -0.001 0.000 0.295 29 A C -0.285 177.328 177.584 0.049 0.000 1.040 29 A CA -0.217 51.876 52.037 0.093 0.000 0.707 29 A CB 1.431 20.561 19.000 0.216 0.000 1.235 29 A HN 0.544 nan 8.150 nan 0.000 0.418 30 D N 2.581 122.999 120.400 0.030 0.000 2.398 30 D HA 0.436 5.076 4.640 -0.001 0.000 0.250 30 D C 0.251 176.561 176.300 0.016 0.000 1.287 30 D CA 0.660 54.669 54.000 0.015 0.000 0.992 30 D CB 0.350 41.154 40.800 0.007 0.000 1.071 30 D HN 0.691 nan 8.370 nan 0.000 0.514 31 A N 5.130 127.956 122.820 0.008 0.000 2.288 31 A HA 0.681 5.001 4.320 -0.001 0.000 0.320 31 A C 0.083 177.662 177.584 -0.010 0.000 1.217 31 A CA -0.826 51.210 52.037 -0.002 0.000 0.840 31 A CB 0.876 19.865 19.000 -0.018 0.000 1.179 31 A HN 0.467 nan 8.150 nan 0.000 0.504 32 R N 1.952 122.447 120.500 -0.009 0.000 2.873 32 R HA 0.735 5.075 4.340 -0.001 0.000 0.264 32 R C -0.872 175.420 176.300 -0.013 0.000 1.026 32 R CA -0.608 55.486 56.100 -0.010 0.000 1.002 32 R CB 1.657 31.953 30.300 -0.007 0.000 1.174 32 R HN 0.780 nan 8.270 nan 0.000 0.488 33 M N 0.327 119.918 119.600 -0.015 0.000 2.591 33 M HA 0.409 4.888 4.480 -0.001 0.000 0.306 33 M C -0.980 175.310 176.300 -0.017 0.000 1.190 33 M CA -0.744 54.547 55.300 -0.015 0.000 0.889 33 M CB 2.603 35.189 32.600 -0.023 0.000 1.728 33 M HN 0.446 nan 8.290 nan 0.000 0.458 34 C N 3.826 123.125 119.300 -0.001 0.000 2.335 34 C HA 0.725 5.185 4.460 -0.001 0.000 0.318 34 C C -0.377 174.632 174.990 0.032 0.000 1.150 34 C CA -0.569 58.431 59.018 -0.031 0.000 1.466 34 C CB -0.466 27.259 27.740 -0.024 0.000 2.024 34 C HN 0.694 nan 8.230 nan 0.000 0.429 35 L N 3.784 125.002 121.223 -0.007 0.000 2.303 35 L HA 0.602 4.941 4.340 -0.001 0.000 0.256 35 L C -2.461 174.469 176.870 0.101 0.000 1.034 35 L CA -2.216 52.648 54.840 0.040 0.000 0.832 35 L CB 1.772 43.777 42.059 -0.090 0.000 1.403 35 L HN 0.178 nan 8.230 nan 0.000 0.419 36 P HA 0.050 nan 4.420 nan 0.000 0.269 36 P C -1.981 175.461 177.300 0.236 0.000 1.215 36 P CA -0.924 62.327 63.100 0.251 0.000 0.780 36 P CB 0.130 32.035 31.700 0.343 0.000 0.898 37 P HA -0.255 nan 4.420 nan 0.000 0.216 37 P C 0.542 177.876 177.300 0.056 0.000 1.154 37 P CA 1.805 64.945 63.100 0.067 0.000 0.865 37 P CB -0.406 31.310 31.700 0.026 0.000 0.789 38 D N -1.784 118.624 120.400 0.014 0.000 2.389 38 D HA -0.171 4.468 4.640 -0.001 0.000 0.250 38 D C 0.647 176.758 176.300 -0.316 0.000 1.136 38 D CA 0.543 54.455 54.000 -0.147 0.000 0.945 38 D CB -1.345 39.325 40.800 -0.218 0.000 0.890 38 D HN 0.325 nan 8.370 nan 0.000 0.525 39 Y N -0.614 119.688 120.300 0.003 0.000 2.500 39 Y HA 0.117 4.666 4.550 -0.001 0.000 0.246 39 Y C 2.190 178.087 175.900 -0.005 0.000 1.146 39 Y CA -0.307 57.795 58.100 0.003 0.000 1.230 39 Y CB 0.478 38.947 38.460 0.014 0.000 1.214 39 Y HN -0.004 nan 8.280 nan 0.000 0.526 40 V N -1.327 118.641 119.914 0.090 0.000 2.287 40 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 40 V C 2.063 178.174 176.094 0.027 0.000 1.053 40 V CA 2.357 64.686 62.300 0.049 0.000 1.027 40 V CB -0.543 31.291 31.823 0.018 0.000 0.646 40 V HN 0.305 nan 8.190 nan 0.000 0.447 41 E N 1.088 121.289 120.200 0.001 0.000 2.033 41 E HA -0.295 4.055 4.350 -0.001 0.000 0.199 41 E C 2.302 178.907 176.600 0.007 0.000 1.011 41 E CA 2.220 58.612 56.400 -0.013 0.000 0.815 41 E CB -0.430 29.243 29.700 -0.045 0.000 0.755 41 E HN 0.541 nan 8.360 nan 0.000 0.451 42 R N 0.229 120.747 120.500 0.029 0.000 2.097 42 R HA -0.117 4.223 4.340 -0.001 0.000 0.236 42 R C 2.367 178.701 176.300 0.057 0.000 1.135 42 R CA 2.165 58.300 56.100 0.058 0.000 0.934 42 R CB -1.245 29.132 30.300 0.129 0.000 0.846 42 R HN 0.435 nan 8.270 nan 0.000 0.431 43 C N 0.142 119.484 119.300 0.071 0.000 2.409 43 C HA 0.043 4.503 4.460 -0.001 0.000 0.288 43 C C 2.638 177.642 174.990 0.024 0.000 1.395 43 C CA 0.442 59.487 59.018 0.044 0.000 1.792 43 C CB -1.571 26.195 27.740 0.044 0.000 1.847 43 C HN 0.641 nan 8.230 nan 0.000 0.534 44 A N 0.963 123.795 122.820 0.020 0.000 1.843 44 A HA 0.061 4.381 4.320 -0.001 0.000 0.213 44 A C 2.209 179.797 177.584 0.007 0.000 1.202 44 A CA 1.740 53.782 52.037 0.009 0.000 0.607 44 A CB -0.937 18.065 19.000 0.003 0.000 0.847 44 A HN 0.546 nan 8.150 nan 0.000 0.445 45 E N -0.683 119.522 120.200 0.008 0.000 2.533 45 E HA 0.243 4.593 4.350 -0.001 0.000 0.201 45 E C 1.230 177.835 176.600 0.009 0.000 1.097 45 E CA 1.283 57.687 56.400 0.007 0.000 0.887 45 E CB -0.568 29.136 29.700 0.007 0.000 0.855 45 E HN 0.411 nan 8.360 nan 0.000 0.540 46 V N -1.435 118.485 119.914 0.010 0.000 3.426 46 V HA 0.427 4.547 4.120 -0.001 0.000 0.271 46 V C 1.450 177.545 176.094 0.001 0.000 1.530 46 V CA 0.431 62.735 62.300 0.007 0.000 1.021 46 V CB 0.787 32.617 31.823 0.011 0.000 0.824 46 V HN 0.930 nan 8.190 nan 0.000 0.432 47 G N 1.795 110.597 108.800 0.003 0.000 2.473 47 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.289 47 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.289 47 G C -0.435 174.463 174.900 -0.003 0.000 1.084 47 G CA 0.311 45.410 45.100 -0.000 0.000 1.215 47 G HN 0.594 nan 8.290 nan 0.000 0.527 48 V N 2.326 122.240 119.914 -0.001 0.000 2.525 48 V HA 0.509 4.628 4.120 -0.001 0.000 0.299 48 V C -1.660 174.432 176.094 -0.003 0.000 1.034 48 V CA -1.656 60.641 62.300 -0.005 0.000 0.863 48 V CB 2.372 34.189 31.823 -0.009 0.000 0.999 48 V HN 0.421 nan 8.190 nan 0.000 0.423 49 P HA 0.056 nan 4.420 nan 0.000 0.257 49 P C -0.738 176.557 177.300 -0.008 0.000 1.189 49 P CA 0.338 63.435 63.100 -0.007 0.000 0.780 49 P CB 0.609 32.305 31.700 -0.007 0.000 0.772 50 M N 5.106 124.702 119.600 -0.006 0.000 2.263 50 M HA 0.250 4.730 4.480 -0.001 0.000 0.295 50 M C -1.805 174.485 176.300 -0.017 0.000 1.028 50 M CA -1.081 54.214 55.300 -0.008 0.000 0.921 50 M CB 2.528 35.133 32.600 0.007 0.000 1.601 50 M HN 0.091 nan 8.290 nan 0.000 0.440 51 V N 8.647 128.539 119.914 -0.035 0.000 2.328 51 V HA 0.551 4.670 4.120 -0.001 0.000 0.278 51 V C -2.288 173.756 176.094 -0.083 0.000 1.021 51 V CA -1.799 60.468 62.300 -0.055 0.000 0.838 51 V CB 1.617 33.400 31.823 -0.066 0.000 0.999 51 V HN 0.723 nan 8.190 nan 0.000 0.447 52 P HA 0.220 nan 4.420 nan 0.000 0.269 52 P C -1.256 175.943 177.300 -0.169 0.000 1.211 52 P CA 0.191 63.246 63.100 -0.074 0.000 0.781 52 P CB 0.589 32.265 31.700 -0.040 0.000 0.877 53 V N 1.049 120.844 119.914 -0.198 0.000 2.823 53 V HA 0.597 4.717 4.120 -0.001 0.000 0.296 53 V C 0.266 176.231 176.094 -0.215 0.000 1.250 53 V CA 0.087 62.156 62.300 -0.385 0.000 0.939 53 V CB 1.221 32.474 31.823 -0.950 0.000 1.062 53 V HN 1.012 nan 8.190 nan 0.000 0.433 54 G N 4.733 113.443 108.800 -0.150 0.000 2.804 54 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.230 54 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.230 54 G C -0.286 174.652 174.900 0.063 0.000 1.386 54 G CA -0.016 45.102 45.100 0.030 0.000 0.875 54 G HN 0.898 nan 8.290 nan 0.000 0.557 55 R N -0.084 120.473 120.500 0.094 0.000 2.827 55 R HA 0.507 4.846 4.340 -0.001 0.000 0.269 55 R C 0.986 177.340 176.300 0.089 0.000 1.048 55 R CA 0.231 56.376 56.100 0.075 0.000 1.173 55 R CB 0.140 30.483 30.300 0.073 0.000 1.070 55 R HN 1.218 nan 8.270 nan 0.000 0.498 56 A N 1.225 124.083 122.820 0.064 0.000 2.354 56 A HA 0.230 4.549 4.320 -0.001 0.000 0.269 56 A C 1.168 178.794 177.584 0.070 0.000 1.109 56 A CA -0.740 51.335 52.037 0.064 0.000 0.800 56 A CB 0.792 19.805 19.000 0.021 0.000 1.045 56 A HN 0.570 nan 8.150 nan 0.000 0.489 57 V N 2.335 122.305 119.914 0.093 0.000 2.323 57 V HA -0.080 4.040 4.120 -0.001 0.000 0.244 57 V C 1.664 177.781 176.094 0.038 0.000 1.041 57 V CA 1.794 64.148 62.300 0.090 0.000 1.025 57 V CB -0.708 31.209 31.823 0.157 0.000 0.656 57 V HN 0.864 nan 8.190 nan 0.000 0.451 58 R N 0.694 121.189 120.500 -0.009 0.000 2.399 58 R HA 0.185 4.524 4.340 -0.001 0.000 0.324 58 R C 1.485 177.777 176.300 -0.012 0.000 1.030 58 R CA 0.478 56.562 56.100 -0.026 0.000 0.984 58 R CB 0.509 30.762 30.300 -0.078 0.000 0.961 58 R HN 0.385 nan 8.270 nan 0.000 0.433 59 A N 4.750 127.571 122.820 0.002 0.000 1.929 59 A HA -0.262 4.057 4.320 -0.001 0.000 0.221 59 A C 2.057 179.639 177.584 -0.004 0.000 1.211 59 A CA 2.188 54.228 52.037 0.005 0.000 0.657 59 A CB -1.321 17.686 19.000 0.011 0.000 0.827 59 A HN 0.966 nan 8.150 nan 0.000 0.462 60 G N -0.703 108.089 108.800 -0.013 0.000 2.514 60 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.217 60 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.217 60 G C 1.588 176.473 174.900 -0.025 0.000 1.198 60 G CA 1.563 46.651 45.100 -0.020 0.000 0.780 60 G HN 1.203 nan 8.290 nan 0.000 0.565 61 A N -0.333 122.465 122.820 -0.036 0.000 2.276 61 A HA 0.295 4.614 4.320 -0.001 0.000 0.205 61 A C 1.318 178.890 177.584 -0.020 0.000 1.234 61 A CA 0.568 52.582 52.037 -0.038 0.000 0.797 61 A CB -0.317 18.648 19.000 -0.057 0.000 0.769 61 A HN 0.374 nan 8.150 nan 0.000 0.491 62 R N -0.706 119.788 120.500 -0.011 0.000 2.664 62 R HA 0.519 4.858 4.340 -0.001 0.000 0.286 62 R C 0.273 176.574 176.300 0.001 0.000 0.967 62 R CA 0.241 56.341 56.100 0.000 0.000 0.933 62 R CB 0.831 31.137 30.300 0.009 0.000 1.146 62 R HN 0.263 nan 8.270 nan 0.000 0.468 63 E N 3.275 123.478 120.200 0.004 0.000 2.437 63 E HA 0.061 4.411 4.350 -0.001 0.000 0.263 63 E C -1.945 174.659 176.600 0.006 0.000 1.030 63 E CA -1.005 55.398 56.400 0.004 0.000 0.934 63 E CB -0.681 29.023 29.700 0.007 0.000 0.943 63 E HN 0.648 nan 8.360 nan 0.000 0.444 64 P HA -0.270 nan 4.420 nan 0.000 0.220 64 P C 1.074 178.379 177.300 0.009 0.000 0.885 64 P CA 2.651 65.755 63.100 0.006 0.000 1.045 64 P CB 0.032 31.735 31.700 0.005 0.000 0.724 65 G N -1.255 107.552 108.800 0.011 0.000 4.222 65 G HA2 0.125 4.085 3.960 -0.001 0.000 0.301 65 G HA3 0.125 4.085 3.960 -0.001 0.000 0.301 65 G C -0.475 174.435 174.900 0.017 0.000 1.171 65 G CA -0.148 44.961 45.100 0.014 0.000 0.937 65 G HN 0.276 nan 8.290 nan 0.000 0.557 66 E N 1.555 121.765 120.200 0.017 0.000 2.129 66 E HA 0.266 4.616 4.350 -0.001 0.000 0.283 66 E C 0.344 176.960 176.600 0.026 0.000 1.080 66 E CA -0.559 55.854 56.400 0.022 0.000 0.867 66 E CB 0.409 30.122 29.700 0.020 0.000 1.056 66 E HN 0.163 nan 8.360 nan 0.000 0.404 67 L N 6.497 127.737 121.223 0.029 0.000 2.516 67 L HA 0.058 4.398 4.340 -0.001 0.000 0.288 67 L C -1.651 175.241 176.870 0.038 0.000 1.246 67 L CA -1.102 53.758 54.840 0.033 0.000 0.844 67 L CB -0.217 41.862 42.059 0.035 0.000 1.106 67 L HN 0.542 nan 8.230 nan 0.000 0.509 68 P HA 0.161 nan 4.420 nan 0.000 0.278 68 P C -2.279 175.052 177.300 0.052 0.000 1.258 68 P CA -1.747 61.381 63.100 0.046 0.000 0.811 68 P CB 0.441 32.167 31.700 0.044 0.000 1.063 69 P HA -0.083 nan 4.420 nan 0.000 0.231 69 P C 1.218 178.536 177.300 0.030 0.000 1.158 69 P CA 1.247 64.386 63.100 0.066 0.000 0.763 69 P CB -0.519 31.244 31.700 0.105 0.000 0.805 70 G N -0.484 108.333 108.800 0.029 0.000 3.088 70 G HA2 0.299 4.259 3.960 -0.001 0.000 0.217 70 G HA3 0.299 4.259 3.960 -0.001 0.000 0.217 70 G C 0.621 175.534 174.900 0.023 0.000 1.159 70 G CA 0.152 45.260 45.100 0.014 0.000 0.760 70 G HN 0.415 nan 8.290 nan 0.000 0.550 71 A N 0.602 123.441 122.820 0.031 0.000 2.520 71 A HA 0.575 4.894 4.320 -0.001 0.000 0.245 71 A C 1.825 179.431 177.584 0.038 0.000 1.072 71 A CA 0.557 52.615 52.037 0.036 0.000 0.761 71 A CB 0.511 19.534 19.000 0.038 0.000 1.004 71 A HN 0.748 nan 8.150 nan 0.000 0.499 72 A N 2.549 125.395 122.820 0.044 0.000 1.908 72 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 72 A C 1.480 179.098 177.584 0.056 0.000 1.181 72 A CA 1.974 54.044 52.037 0.055 0.000 0.627 72 A CB -0.543 18.492 19.000 0.058 0.000 0.818 72 A HN 0.848 nan 8.150 nan 0.000 0.445 73 E N -0.620 119.609 120.200 0.049 0.000 2.533 73 E HA 0.038 4.387 4.350 -0.001 0.000 0.203 73 E C 0.833 177.463 176.600 0.051 0.000 1.101 73 E CA 0.902 57.331 56.400 0.048 0.000 0.894 73 E CB -0.260 29.465 29.700 0.041 0.000 0.843 73 E HN 0.732 nan 8.360 nan 0.000 0.552 74 V N -5.105 114.840 119.914 0.051 0.000 3.399 74 V HA 0.169 4.289 4.120 -0.001 0.000 0.357 74 V C 1.152 177.276 176.094 0.050 0.000 1.480 74 V CA -0.290 62.042 62.300 0.054 0.000 1.263 74 V CB -0.116 31.739 31.823 0.052 0.000 1.103 74 V HN 0.001 nan 8.190 nan 0.000 0.533 75 V N 0.982 120.924 119.914 0.048 0.000 2.255 75 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 75 V C 2.741 178.864 176.094 0.048 0.000 1.051 75 V CA 3.221 65.534 62.300 0.022 0.000 1.018 75 V CB -1.315 30.554 31.823 0.077 0.000 0.641 75 V HN 0.662 nan 8.190 nan 0.000 0.445 76 T N -0.442 114.169 114.554 0.094 0.000 2.720 76 T HA -0.254 4.096 4.350 -0.001 0.000 0.268 76 T C 1.946 176.708 174.700 0.103 0.000 1.037 76 T CA 1.802 63.971 62.100 0.115 0.000 1.144 76 T CB -0.323 68.616 68.868 0.118 0.000 0.864 76 T HN 0.571 nan 8.240 nan 0.000 0.444 77 E N 0.766 121.021 120.200 0.091 0.000 2.110 77 E HA -0.113 4.236 4.350 -0.001 0.000 0.193 77 E C 2.310 178.977 176.600 0.112 0.000 0.988 77 E CA 0.892 57.349 56.400 0.095 0.000 0.804 77 E CB -0.194 29.554 29.700 0.081 0.000 0.745 77 E HN 0.314 nan 8.360 nan 0.000 0.458 78 V N 0.753 120.727 119.914 0.101 0.000 2.261 78 V HA -0.256 3.864 4.120 -0.001 0.000 0.246 78 V C 2.694 178.885 176.094 0.160 0.000 1.047 78 V CA 1.551 63.936 62.300 0.142 0.000 1.015 78 V CB -0.481 31.349 31.823 0.012 0.000 0.642 78 V HN 0.128 nan 8.190 nan 0.000 0.446 79 V N 0.268 120.215 119.914 0.054 0.000 2.255 79 V HA -0.318 3.802 4.120 -0.001 0.000 0.247 79 V C 2.706 178.835 176.094 0.058 0.000 1.051 79 V CA 2.341 64.671 62.300 0.050 0.000 1.018 79 V CB -1.257 30.614 31.823 0.079 0.000 0.641 79 V HN 0.577 nan 8.190 nan 0.000 0.445 80 A N -0.018 122.799 122.820 -0.006 0.000 1.865 80 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 80 A C 2.197 179.857 177.584 0.127 0.000 1.191 80 A CA 2.207 54.244 52.037 -0.001 0.000 0.623 80 A CB -0.649 18.446 19.000 0.158 0.000 0.826 80 A HN 0.610 nan 8.150 nan 0.000 0.444 81 E N -0.739 119.542 120.200 0.135 0.000 2.049 81 E HA -0.239 4.110 4.350 -0.001 0.000 0.198 81 E C 1.639 178.261 176.600 0.037 0.000 1.007 81 E CA 2.006 58.457 56.400 0.084 0.000 0.809 81 E CB -0.526 29.224 29.700 0.084 0.000 0.749 81 E HN 0.691 nan 8.360 nan 0.000 0.450 82 W N -0.096 121.199 121.300 -0.008 0.000 2.352 82 W HA -0.020 4.640 4.660 -0.001 0.000 0.322 82 W C 2.384 178.902 176.519 -0.002 0.000 1.208 82 W CA 1.442 58.762 57.345 -0.041 0.000 1.286 82 W CB -1.224 28.165 29.460 -0.119 0.000 1.167 82 W HN 0.072 nan 8.180 nan 0.000 0.469 83 F N 0.461 120.503 119.950 0.154 0.000 2.271 83 F HA -0.325 4.202 4.527 -0.000 0.000 0.302 83 F C 2.305 178.154 175.800 0.082 0.000 1.063 83 F CA 1.713 59.764 58.000 0.085 0.000 1.362 83 F CB -0.178 38.801 39.000 -0.033 0.000 1.060 83 F HN -0.006 nan 8.300 nan 0.000 0.521 84 D N -0.214 120.331 120.400 0.242 0.000 2.214 84 D HA -0.097 4.543 4.640 -0.001 0.000 0.217 84 D C 2.115 178.452 176.300 0.062 0.000 0.973 84 D CA 1.048 55.136 54.000 0.147 0.000 0.880 84 D CB 0.204 41.070 40.800 0.109 0.000 1.031 84 D HN 0.071 nan 8.370 nan 0.000 0.468 85 K N -0.016 120.369 120.400 -0.025 0.000 2.366 85 K HA 0.067 4.387 4.320 -0.001 0.000 0.198 85 K C 2.156 178.703 176.600 -0.088 0.000 1.044 85 K CA 0.218 56.453 56.287 -0.086 0.000 0.973 85 K CB -0.356 32.035 32.500 -0.182 0.000 0.767 85 K HN 0.182 nan 8.250 nan 0.000 0.475 86 V N 1.395 121.276 119.914 -0.056 0.000 2.427 86 V HA -0.112 4.008 4.120 -0.001 0.000 0.248 86 V C -0.883 175.227 176.094 0.026 0.000 1.051 86 V CA 1.636 63.925 62.300 -0.018 0.000 1.048 86 V CB -1.011 30.844 31.823 0.053 0.000 0.666 86 V HN 0.295 nan 8.190 nan 0.000 0.456 87 P HA -0.202 nan 4.420 nan 0.000 0.216 87 P C 1.757 179.078 177.300 0.035 0.000 1.153 87 P CA 2.146 65.284 63.100 0.064 0.000 0.858 87 P CB -0.138 31.612 31.700 0.084 0.000 0.789 88 A N 0.071 122.902 122.820 0.017 0.000 1.851 88 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 88 A C 2.371 179.956 177.584 0.001 0.000 1.195 88 A CA 2.512 54.553 52.037 0.006 0.000 0.622 88 A CB -1.722 17.274 19.000 -0.007 0.000 0.831 88 A HN 0.199 nan 8.150 nan 0.000 0.444 89 A N -0.757 122.058 122.820 -0.010 0.000 1.933 89 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 89 A C 1.908 179.496 177.584 0.007 0.000 1.175 89 A CA 1.427 53.457 52.037 -0.010 0.000 0.628 89 A CB -0.455 18.527 19.000 -0.030 0.000 0.814 89 A HN 0.660 nan 8.150 nan 0.000 0.444 90 I N -0.096 120.486 120.570 0.020 0.000 3.764 90 I HA 0.153 4.323 4.170 -0.001 0.000 0.312 90 I C 1.892 178.027 176.117 0.030 0.000 1.340 90 I CA 0.735 62.054 61.300 0.032 0.000 1.195 90 I CB -0.799 37.231 38.000 0.050 0.000 1.068 90 I HN 0.516 nan 8.210 nan 0.000 0.421 91 E N 1.193 121.406 120.200 0.022 0.000 1.995 91 E HA -0.163 4.187 4.350 -0.001 0.000 0.207 91 E C 1.608 178.219 176.600 0.019 0.000 1.016 91 E CA 1.259 57.671 56.400 0.020 0.000 0.865 91 E CB -1.086 28.621 29.700 0.013 0.000 0.797 91 E HN 0.569 nan 8.360 nan 0.000 0.491 92 G N -0.590 108.218 108.800 0.014 0.000 3.727 92 G HA2 0.438 4.398 3.960 -0.001 0.000 0.301 92 G HA3 0.438 4.398 3.960 -0.001 0.000 0.301 92 G C -0.539 174.369 174.900 0.013 0.000 1.128 92 G CA 0.159 45.266 45.100 0.012 0.000 1.545 92 G HN 0.507 nan 8.290 nan 0.000 0.555 93 C N 0.944 120.255 119.300 0.019 0.000 2.507 93 C HA 0.467 4.926 4.460 -0.001 0.000 0.319 93 C C 0.416 175.421 174.990 0.025 0.000 1.208 93 C CA -0.754 58.277 59.018 0.022 0.000 1.619 93 C CB 1.947 29.703 27.740 0.026 0.000 2.230 93 C HN 0.782 nan 8.230 nan 0.000 0.492 94 D N 0.610 121.025 120.400 0.025 0.000 2.398 94 D HA 0.452 5.092 4.640 -0.001 0.000 0.210 94 D C 0.147 176.467 176.300 0.034 0.000 1.094 94 D CA 0.196 54.213 54.000 0.027 0.000 0.839 94 D CB 0.362 41.174 40.800 0.020 0.000 0.963 94 D HN 0.721 nan 8.370 nan 0.000 0.506 95 A N 0.045 122.884 122.820 0.032 0.000 2.594 95 A HA 0.624 4.944 4.320 -0.001 0.000 0.296 95 A C -1.698 175.887 177.584 0.001 0.000 1.061 95 A CA -0.758 51.290 52.037 0.018 0.000 0.689 95 A CB 1.445 20.460 19.000 0.025 0.000 1.280 95 A HN 0.016 nan 8.150 nan 0.000 0.406 96 V N 1.039 120.937 119.914 -0.026 0.000 2.577 96 V HA 0.647 4.767 4.120 -0.001 0.000 0.303 96 V C -0.619 175.358 176.094 -0.194 0.000 1.042 96 V CA -0.675 61.601 62.300 -0.041 0.000 0.872 96 V CB 1.601 33.468 31.823 0.073 0.000 0.998 96 V HN 0.783 nan 8.190 nan 0.000 0.423 97 V N 3.526 123.332 119.914 -0.181 0.000 2.409 97 V HA 0.688 4.808 4.120 -0.001 0.000 0.291 97 V C 0.077 176.045 176.094 -0.211 0.000 1.020 97 V CA -0.071 62.075 62.300 -0.258 0.000 0.848 97 V CB 2.013 33.757 31.823 -0.131 0.000 0.990 97 V HN 1.007 nan 8.190 nan 0.000 0.430 98 T N 2.705 117.060 114.554 -0.331 0.000 2.916 98 T HA 0.753 5.103 4.350 -0.001 0.000 0.292 98 T C -0.526 173.924 174.700 -0.417 0.000 1.055 98 T CA -0.514 61.446 62.100 -0.233 0.000 1.009 98 T CB 2.168 70.982 68.868 -0.090 0.000 1.118 98 T HN 0.770 nan 8.240 nan 0.000 0.497 99 T N -0.313 114.021 114.554 -0.367 0.000 2.840 99 T HA 0.658 5.007 4.350 -0.001 0.000 0.317 99 T C -0.255 174.288 174.700 -0.262 0.000 1.401 99 T CA 0.903 62.646 62.100 -0.594 0.000 1.028 99 T CB 0.959 69.566 68.868 -0.435 0.000 1.317 99 T HN 1.466 nan 8.240 nan 0.000 0.495 100 G N 1.711 110.394 108.800 -0.195 0.000 2.587 100 G HA2 0.091 4.051 3.960 -0.001 0.000 0.212 100 G HA3 0.091 4.051 3.960 -0.001 0.000 0.212 100 G C -0.600 174.278 174.900 -0.036 0.000 1.327 100 G CA -0.469 44.583 45.100 -0.081 0.000 0.898 100 G HN 1.552 nan 8.290 nan 0.000 0.551 101 L N -0.012 121.151 121.223 -0.100 0.000 2.999 101 L HA -0.032 4.308 4.340 -0.001 0.000 0.304 101 L C 1.980 178.727 176.870 -0.205 0.000 1.104 101 L CA 1.414 56.159 54.840 -0.158 0.000 0.911 101 L CB 0.099 42.007 42.059 -0.252 0.000 1.341 101 L HN 1.167 nan 8.230 nan 0.000 0.487 102 L N 8.224 129.374 121.223 -0.122 0.000 2.012 102 L HA -0.081 4.259 4.340 -0.001 0.000 0.210 102 L C -0.680 176.015 176.870 -0.292 0.000 1.073 102 L CA 2.003 56.790 54.840 -0.089 0.000 0.748 102 L CB -1.318 40.836 42.059 0.158 0.000 0.891 102 L HN 0.607 nan 8.230 nan 0.000 0.431 103 P HA -0.219 nan 4.420 nan 0.000 0.215 103 P C 1.547 178.522 177.300 -0.541 0.000 1.163 103 P CA 2.380 64.904 63.100 -0.960 0.000 0.894 103 P CB -0.230 30.885 31.700 -0.975 0.000 0.791 104 A N -0.694 121.722 122.820 -0.673 0.000 2.015 104 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 104 A C 2.252 179.475 177.584 -0.601 0.000 1.163 104 A CA 1.892 53.340 52.037 -0.980 0.000 0.646 104 A CB -1.503 16.327 19.000 -1.950 0.000 0.806 104 A HN 0.199 nan 8.150 nan 0.000 0.448 105 A N -0.431 122.160 122.820 -0.382 0.000 1.855 105 A HA 0.004 4.324 4.320 -0.001 0.000 0.215 105 A C 2.176 179.689 177.584 -0.118 0.000 1.191 105 A CA 1.691 53.637 52.037 -0.151 0.000 0.613 105 A CB -0.999 17.938 19.000 -0.105 0.000 0.829 105 A HN 0.395 nan 8.150 nan 0.000 0.442 106 V N 0.098 119.967 119.914 -0.075 0.000 2.392 106 V HA -0.280 3.839 4.120 -0.001 0.000 0.249 106 V C 3.016 179.077 176.094 -0.055 0.000 1.059 106 V CA 1.957 64.305 62.300 0.079 0.000 1.051 106 V CB -1.295 30.717 31.823 0.315 0.000 0.658 106 V HN 0.625 nan 8.190 nan 0.000 0.455 107 A N -0.204 122.456 122.820 -0.267 0.000 1.877 107 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 107 A C 2.387 179.643 177.584 -0.546 0.000 1.186 107 A CA 2.084 53.685 52.037 -0.727 0.000 0.620 107 A CB -0.666 17.969 19.000 -0.607 0.000 0.822 107 A HN 0.340 nan 8.150 nan 0.000 0.443 108 V N 0.040 119.826 119.914 -0.213 0.000 2.358 108 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 108 V C 2.612 178.663 176.094 -0.071 0.000 1.047 108 V CA 2.171 64.450 62.300 -0.036 0.000 1.035 108 V CB -0.840 31.061 31.823 0.130 0.000 0.658 108 V HN 0.670 nan 8.190 nan 0.000 0.452 109 R N 0.063 120.405 120.500 -0.264 0.000 2.159 109 R HA -0.166 4.174 4.340 -0.001 0.000 0.237 109 R C 2.364 178.547 176.300 -0.195 0.000 1.131 109 R CA 1.802 57.508 56.100 -0.657 0.000 0.982 109 R CB -0.212 29.337 30.300 -1.251 0.000 0.868 109 R HN 0.508 nan 8.270 nan 0.000 0.453 110 S N 0.203 115.905 115.700 0.003 0.000 2.371 110 S HA -0.069 4.401 4.470 -0.001 0.000 0.224 110 S C 1.811 176.502 174.600 0.152 0.000 1.029 110 S CA 1.198 59.500 58.200 0.170 0.000 0.978 110 S CB 0.002 63.414 63.200 0.354 0.000 0.833 110 S HN 0.299 nan 8.310 nan 0.000 0.466 111 M N 1.357 121.021 119.600 0.107 0.000 2.213 111 M HA 0.027 4.507 4.480 -0.001 0.000 0.263 111 M C 2.378 178.730 176.300 0.087 0.000 1.062 111 M CA 1.197 56.571 55.300 0.123 0.000 1.105 111 M CB -1.647 31.013 32.600 0.101 0.000 1.385 111 M HN 0.347 nan 8.290 nan 0.000 0.417 112 A N 0.242 123.098 122.820 0.060 0.000 1.898 112 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 112 A C 2.186 179.800 177.584 0.050 0.000 1.181 112 A CA 1.815 53.887 52.037 0.058 0.000 0.620 112 A CB -0.642 18.395 19.000 0.062 0.000 0.819 112 A HN 0.567 nan 8.150 nan 0.000 0.442 113 E N -0.033 120.197 120.200 0.050 0.000 2.015 113 E HA -0.187 4.163 4.350 -0.001 0.000 0.191 113 E C 2.415 179.058 176.600 0.071 0.000 0.991 113 E CA 1.863 58.303 56.400 0.067 0.000 0.802 113 E CB -0.285 29.478 29.700 0.105 0.000 0.759 113 E HN 0.466 nan 8.360 nan 0.000 0.447 114 K N 1.135 121.588 120.400 0.088 0.000 2.034 114 K HA -0.163 4.157 4.320 -0.001 0.000 0.214 114 K C 2.031 178.669 176.600 0.063 0.000 1.051 114 K CA 1.999 58.333 56.287 0.079 0.000 0.931 114 K CB -1.513 31.047 32.500 0.100 0.000 0.715 114 K HN 0.253 nan 8.250 nan 0.000 0.446 115 L N -0.321 120.941 121.223 0.064 0.000 2.622 115 L HA 0.135 4.475 4.340 -0.001 0.000 0.233 115 L C 1.892 178.789 176.870 0.045 0.000 1.156 115 L CA 0.571 55.442 54.840 0.052 0.000 0.866 115 L CB -0.681 41.410 42.059 0.053 0.000 0.980 115 L HN 0.724 nan 8.230 nan 0.000 0.448 116 G N 1.649 110.477 108.800 0.046 0.000 2.187 116 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.261 116 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.261 116 G C 0.412 175.336 174.900 0.039 0.000 1.000 116 G CA 0.776 45.901 45.100 0.041 0.000 0.718 116 G HN 0.555 nan 8.290 nan 0.000 0.519 117 I N -1.921 118.675 120.570 0.044 0.000 2.677 117 I HA 0.710 4.879 4.170 -0.001 0.000 0.305 117 I C -1.706 174.441 176.117 0.050 0.000 0.988 117 I CA -2.978 58.348 61.300 0.043 0.000 1.260 117 I CB 1.334 39.361 38.000 0.044 0.000 1.410 117 I HN -0.083 nan 8.210 nan 0.000 0.523 118 P HA 0.094 nan 4.420 nan 0.000 0.275 118 P C -1.665 175.667 177.300 0.054 0.000 1.227 118 P CA 0.324 63.446 63.100 0.038 0.000 0.781 118 P CB 0.599 32.308 31.700 0.015 0.000 0.906 119 Y N 3.389 123.615 120.300 -0.122 0.000 2.391 119 Y HA 0.519 5.068 4.550 -0.000 0.000 0.341 119 Y C -0.747 175.003 175.900 -0.250 0.000 0.965 119 Y CA -1.029 56.974 58.100 -0.161 0.000 1.067 119 Y CB 1.670 40.046 38.460 -0.140 0.000 1.199 119 Y HN 0.203 nan 8.280 nan 0.000 0.450 120 R N 5.370 125.390 120.500 -0.799 0.000 2.534 120 R HA 0.269 4.609 4.340 -0.001 0.000 0.301 120 R C -2.035 173.721 176.300 -0.908 0.000 0.961 120 R CA -0.979 54.578 56.100 -0.904 0.000 0.871 120 R CB 1.739 31.279 30.300 -1.267 0.000 1.170 120 R HN 0.842 nan 8.270 nan 0.000 0.446 121 Y N 1.081 120.933 120.300 -0.746 0.000 2.341 121 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 121 Y C -0.512 175.221 175.900 -0.278 0.000 1.014 121 Y CA -0.101 57.687 58.100 -0.521 0.000 1.111 121 Y CB 1.718 39.956 38.460 -0.371 0.000 1.194 121 Y HN 0.485 nan 8.280 nan 0.000 0.462 122 T N 5.805 119.934 114.554 -0.708 0.000 2.885 122 T HA 0.635 4.984 4.350 -0.001 0.000 0.285 122 T C -0.820 173.507 174.700 -0.621 0.000 1.019 122 T CA -0.715 61.129 62.100 -0.427 0.000 1.010 122 T CB 1.293 69.995 68.868 -0.277 0.000 1.022 122 T HN 0.585 nan 8.240 nan 0.000 0.466 123 V N 0.663 120.368 119.914 -0.349 0.000 2.960 123 V HA 0.596 4.715 4.120 -0.001 0.000 0.315 123 V C 0.389 176.299 176.094 -0.307 0.000 1.087 123 V CA -1.020 61.109 62.300 -0.284 0.000 0.982 123 V CB 1.466 33.267 31.823 -0.037 0.000 1.039 123 V HN 0.851 nan 8.190 nan 0.000 0.437 124 L N 1.721 122.746 121.223 -0.331 0.000 2.477 124 L HA 0.293 4.632 4.340 -0.001 0.000 0.220 124 L C 1.017 177.765 176.870 -0.203 0.000 1.106 124 L CA 0.976 55.636 54.840 -0.301 0.000 0.851 124 L CB 0.243 42.135 42.059 -0.279 0.000 0.994 124 L HN 0.982 nan 8.230 nan 0.000 0.462 125 S N -2.774 112.831 115.700 -0.158 0.000 2.588 125 S HA 0.463 4.932 4.470 -0.001 0.000 0.275 125 S C -2.443 172.206 174.600 0.083 0.000 1.130 125 S CA -1.197 56.998 58.200 -0.009 0.000 0.855 125 S CB 1.983 65.232 63.200 0.080 0.000 1.116 125 S HN -0.291 nan 8.310 nan 0.000 0.472 126 P HA -0.020 nan 4.420 nan 0.000 0.220 126 P C 0.252 177.627 177.300 0.124 0.000 1.148 126 P CA 1.214 64.360 63.100 0.076 0.000 0.803 126 P CB -0.158 31.559 31.700 0.029 0.000 0.782 127 D N -1.543 118.951 120.400 0.156 0.000 2.149 127 D HA -0.185 4.455 4.640 -0.001 0.000 0.198 127 D C 1.128 177.493 176.300 0.109 0.000 0.990 127 D CA 1.335 55.404 54.000 0.114 0.000 0.839 127 D CB -1.164 39.692 40.800 0.094 0.000 0.948 127 D HN 0.379 nan 8.370 nan 0.000 0.460 128 H N -0.460 118.672 119.070 0.104 0.000 2.556 128 H HA 0.236 4.792 4.556 -0.001 0.000 0.273 128 H C 0.111 175.568 175.328 0.215 0.000 1.030 128 H CA -0.073 56.074 56.048 0.165 0.000 1.156 128 H CB -0.475 29.389 29.762 0.170 0.000 1.326 128 H HN 0.122 nan 8.280 nan 0.000 0.609 129 L N 1.228 122.602 121.223 0.252 0.000 2.349 129 L HA 0.132 4.471 4.340 -0.001 0.000 0.275 129 L C -1.162 175.831 176.870 0.205 0.000 1.115 129 L CA -1.758 53.215 54.840 0.221 0.000 0.820 129 L CB 1.499 43.648 42.059 0.149 0.000 1.135 129 L HN 0.033 nan 8.230 nan 0.000 0.445 130 P HA -0.168 nan 4.420 nan 0.000 0.216 130 P C 1.523 178.920 177.300 0.162 0.000 1.150 130 P CA 1.152 64.384 63.100 0.220 0.000 0.837 130 P CB 0.230 32.019 31.700 0.148 0.000 0.786 131 S N -0.990 114.784 115.700 0.124 0.000 2.507 131 S HA -0.103 4.366 4.470 -0.001 0.000 0.235 131 S C 1.575 176.219 174.600 0.073 0.000 0.988 131 S CA 0.896 59.149 58.200 0.088 0.000 0.944 131 S CB -0.882 62.364 63.200 0.075 0.000 0.762 131 S HN 0.233 nan 8.310 nan 0.000 0.526 132 E N 0.545 120.796 120.200 0.086 0.000 2.444 132 E HA 0.152 4.501 4.350 -0.001 0.000 0.191 132 E C -0.100 176.533 176.600 0.056 0.000 1.041 132 E CA -0.095 56.343 56.400 0.063 0.000 0.883 132 E CB 0.282 30.021 29.700 0.065 0.000 1.024 132 E HN 0.557 nan 8.360 nan 0.000 0.470 133 Q N 0.145 119.986 119.800 0.068 0.000 2.297 133 Q HA 0.265 4.605 4.340 -0.001 0.000 0.269 133 Q C 0.013 176.014 176.000 0.002 0.000 1.051 133 Q CA -0.508 55.319 55.803 0.041 0.000 0.869 133 Q CB 1.717 30.510 28.738 0.092 0.000 1.346 133 Q HN 0.050 nan 8.270 nan 0.000 0.457 134 S N -0.076 115.597 115.700 -0.045 0.000 2.592 134 S HA 0.020 4.490 4.470 -0.001 0.000 0.271 134 S C 0.945 175.504 174.600 -0.069 0.000 1.326 134 S CA -0.354 57.814 58.200 -0.054 0.000 1.024 134 S CB 1.260 64.417 63.200 -0.071 0.000 0.921 134 S HN 0.573 nan 8.310 nan 0.000 0.527 135 Q N 2.373 122.144 119.800 -0.048 0.000 2.197 135 Q HA -0.110 4.229 4.340 -0.001 0.000 0.207 135 Q C 2.003 177.953 176.000 -0.083 0.000 0.984 135 Q CA 2.432 58.206 55.803 -0.048 0.000 0.869 135 Q CB -1.049 27.669 28.738 -0.034 0.000 0.906 135 Q HN 0.949 nan 8.270 nan 0.000 0.426 136 A N 0.052 122.813 122.820 -0.099 0.000 1.897 136 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 136 A C 1.970 179.428 177.584 -0.210 0.000 1.181 136 A CA 1.355 53.318 52.037 -0.124 0.000 0.620 136 A CB -0.535 18.403 19.000 -0.103 0.000 0.821 136 A HN 0.532 nan 8.150 nan 0.000 0.443 137 E N -0.234 119.808 120.200 -0.264 0.000 2.085 137 E HA -0.216 4.134 4.350 -0.001 0.000 0.194 137 E C 2.248 178.419 176.600 -0.714 0.000 0.994 137 E CA 1.320 57.424 56.400 -0.493 0.000 0.801 137 E CB -0.184 29.257 29.700 -0.432 0.000 0.743 137 E HN 0.520 nan 8.360 nan 0.000 0.453 138 R N 0.727 120.989 120.500 -0.396 0.000 2.152 138 R HA -0.132 4.208 4.340 -0.001 0.000 0.232 138 R C 1.600 177.770 176.300 -0.217 0.000 1.117 138 R CA 1.248 57.188 56.100 -0.266 0.000 0.981 138 R CB -0.131 30.167 30.300 -0.003 0.000 0.870 138 R HN 0.227 nan 8.270 nan 0.000 0.451 139 D N 0.423 120.711 120.400 -0.187 0.000 2.183 139 D HA -0.092 4.548 4.640 -0.001 0.000 0.203 139 D C 1.907 178.133 176.300 -0.124 0.000 0.969 139 D CA 1.049 54.986 54.000 -0.104 0.000 0.842 139 D CB -0.013 40.739 40.800 -0.080 0.000 0.957 139 D HN 0.233 nan 8.370 nan 0.000 0.484 140 M N -0.398 119.058 119.600 -0.241 0.000 2.132 140 M HA -0.121 4.358 4.480 -0.001 0.000 0.263 140 M C 2.115 178.343 176.300 -0.120 0.000 1.065 140 M CA 1.166 56.346 55.300 -0.200 0.000 1.122 140 M CB -0.319 32.112 32.600 -0.281 0.000 1.365 140 M HN 0.084 nan 8.290 nan 0.000 0.411 141 Y N 0.437 120.575 120.300 -0.270 0.000 2.070 141 Y HA -0.304 4.246 4.550 -0.001 0.000 0.280 141 Y C 2.530 178.329 175.900 -0.168 0.000 1.148 141 Y CA 0.689 58.563 58.100 -0.376 0.000 1.125 141 Y CB -0.520 37.299 38.460 -1.069 0.000 0.975 141 Y HN 0.330 nan 8.280 nan 0.000 0.492 142 N N 0.318 119.067 118.700 0.082 0.000 2.120 142 N HA -0.222 4.518 4.740 -0.001 0.000 0.188 142 N C 1.842 177.395 175.510 0.071 0.000 1.024 142 N CA 1.334 54.485 53.050 0.169 0.000 0.852 142 N CB -0.415 38.229 38.487 0.261 0.000 1.003 142 N HN 0.508 nan 8.380 nan 0.000 0.424 143 Q N 0.394 120.216 119.800 0.037 0.000 1.993 143 Q HA -0.092 4.247 4.340 -0.001 0.000 0.202 143 Q C 2.046 178.037 176.000 -0.016 0.000 0.984 143 Q CA 1.916 57.719 55.803 0.000 0.000 0.837 143 Q CB -0.418 28.314 28.738 -0.010 0.000 0.902 143 Q HN 0.314 nan 8.270 nan 0.000 0.423 144 G N 0.230 109.035 108.800 0.008 0.000 2.440 144 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.218 144 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.218 144 G C 1.463 176.371 174.900 0.012 0.000 1.154 144 G CA 0.986 46.101 45.100 0.025 0.000 0.767 144 G HN 0.522 nan 8.290 nan 0.000 0.552 145 A N 1.119 123.945 122.820 0.010 0.000 1.877 145 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 145 A C 2.126 179.406 177.584 -0.506 0.000 1.186 145 A CA 2.170 54.144 52.037 -0.105 0.000 0.620 145 A CB -0.466 18.550 19.000 0.028 0.000 0.822 145 A HN 0.284 nan 8.150 nan 0.000 0.443 146 D N -0.564 119.652 120.400 -0.307 0.000 2.097 146 D HA -0.099 4.541 4.640 -0.001 0.000 0.197 146 D C 2.129 178.290 176.300 -0.231 0.000 0.984 146 D CA 1.066 54.876 54.000 -0.316 0.000 0.826 146 D CB -0.381 40.304 40.800 -0.193 0.000 0.973 146 D HN 0.419 nan 8.370 nan 0.000 0.460 147 R N -0.152 120.269 120.500 -0.131 0.000 2.241 147 R HA -0.064 4.276 4.340 -0.001 0.000 0.224 147 R C 1.979 178.260 176.300 -0.031 0.000 1.101 147 R CA 0.368 56.429 56.100 -0.065 0.000 0.995 147 R CB -0.060 30.223 30.300 -0.030 0.000 0.870 147 R HN 0.165 nan 8.270 nan 0.000 0.463 148 L N -0.435 120.768 121.223 -0.034 0.000 2.200 148 L HA 0.058 4.398 4.340 -0.001 0.000 0.200 148 L C 1.067 178.058 176.870 0.202 0.000 1.072 148 L CA 1.447 56.353 54.840 0.109 0.000 0.787 148 L CB 0.188 42.392 42.059 0.241 0.000 0.957 148 L HN 0.133 nan 8.230 nan 0.000 0.459 149 F N -3.034 116.942 119.950 0.044 0.000 2.838 149 F HA 0.584 5.110 4.527 -0.001 0.000 0.329 149 F C 1.566 177.399 175.800 0.054 0.000 1.116 149 F CA -0.289 57.741 58.000 0.051 0.000 1.155 149 F CB -1.344 37.686 39.000 0.050 0.000 1.106 149 F HN -0.108 nan 8.300 nan 0.000 0.538 150 G N 1.342 109.984 108.800 -0.263 0.000 2.491 150 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.218 150 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.218 150 G C 1.184 176.062 174.900 -0.037 0.000 1.180 150 G CA 1.726 46.707 45.100 -0.197 0.000 0.774 150 G HN 0.305 nan 8.290 nan 0.000 0.562 151 D N 1.044 121.441 120.400 -0.004 0.000 2.092 151 D HA -0.064 4.576 4.640 -0.001 0.000 0.193 151 D C 2.844 179.195 176.300 0.085 0.000 0.994 151 D CA 1.464 55.479 54.000 0.025 0.000 0.828 151 D CB -0.761 40.054 40.800 0.025 0.000 0.963 151 D HN 0.312 nan 8.370 nan 0.000 0.450 152 A N 0.599 123.506 122.820 0.144 0.000 1.948 152 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 152 A C 2.526 180.289 177.584 0.299 0.000 1.177 152 A CA 1.486 53.662 52.037 0.232 0.000 0.636 152 A CB -0.791 18.353 19.000 0.240 0.000 0.815 152 A HN 0.161 nan 8.150 nan 0.000 0.449 153 V N 0.960 121.033 119.914 0.264 0.000 2.244 153 V HA -0.253 3.867 4.120 -0.001 0.000 0.244 153 V C 2.209 178.417 176.094 0.190 0.000 1.042 153 V CA 2.106 64.594 62.300 0.313 0.000 1.006 153 V CB -0.908 31.079 31.823 0.273 0.000 0.641 153 V HN 0.580 nan 8.190 nan 0.000 0.446 154 N N 0.154 118.903 118.700 0.081 0.000 2.348 154 N HA -0.145 4.594 4.740 -0.001 0.000 0.185 154 N C 2.070 177.572 175.510 -0.014 0.000 1.019 154 N CA 1.643 54.698 53.050 0.009 0.000 0.880 154 N CB -0.317 38.154 38.487 -0.028 0.000 0.965 154 N HN 0.532 nan 8.380 nan 0.000 0.437 155 S N 0.135 115.843 115.700 0.014 0.000 2.406 155 S HA -0.087 4.382 4.470 -0.001 0.000 0.228 155 S C 1.471 175.955 174.600 -0.193 0.000 1.020 155 S CA 0.867 59.029 58.200 -0.065 0.000 0.965 155 S CB -0.096 63.080 63.200 -0.040 0.000 0.798 155 S HN 0.370 nan 8.310 nan 0.000 0.488 156 H N 0.322 119.229 119.070 -0.272 0.000 2.525 156 H HA 0.367 4.923 4.556 -0.000 0.000 0.275 156 H C 2.340 177.290 175.328 -0.630 0.000 0.984 156 H CA 0.643 56.347 56.048 -0.572 0.000 1.264 156 H CB 0.111 29.215 29.762 -1.097 0.000 1.432 156 H HN 0.323 nan 8.280 nan 0.000 0.549 157 R N 0.086 120.432 120.500 -0.257 0.000 2.073 157 R HA 0.049 4.389 4.340 -0.001 0.000 0.229 157 R C 2.349 178.592 176.300 -0.095 0.000 1.120 157 R CA 0.980 57.015 56.100 -0.110 0.000 0.967 157 R CB -0.063 30.238 30.300 0.002 0.000 0.862 157 R HN 0.255 nan 8.270 nan 0.000 0.436 158 A N 1.333 124.093 122.820 -0.101 0.000 1.855 158 A HA -0.116 4.203 4.320 -0.001 0.000 0.215 158 A C 2.309 179.832 177.584 -0.102 0.000 1.191 158 A CA 1.863 53.849 52.037 -0.085 0.000 0.613 158 A CB -1.102 17.850 19.000 -0.080 0.000 0.829 158 A HN 0.458 nan 8.150 nan 0.000 0.442 159 S N -1.421 114.187 115.700 -0.154 0.000 2.693 159 S HA 0.246 4.716 4.470 -0.001 0.000 0.243 159 S C 1.210 175.738 174.600 -0.121 0.000 0.973 159 S CA 1.323 59.426 58.200 -0.160 0.000 0.969 159 S CB -0.436 62.609 63.200 -0.257 0.000 0.771 159 S HN 0.663 nan 8.310 nan 0.000 0.542 160 I N -3.409 117.106 120.570 -0.092 0.000 4.661 160 I HA 0.324 4.494 4.170 -0.001 0.000 0.372 160 I C 1.025 177.133 176.117 -0.014 0.000 1.209 160 I CA 0.732 62.005 61.300 -0.044 0.000 1.313 160 I CB 0.525 38.508 38.000 -0.030 0.000 1.949 160 I HN 0.320 nan 8.210 nan 0.000 0.651 161 G N 1.463 110.249 108.800 -0.022 0.000 3.031 161 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.198 161 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.198 161 G C 0.155 175.054 174.900 -0.002 0.000 1.242 161 G CA -0.159 44.937 45.100 -0.006 0.000 0.878 161 G HN 0.123 nan 8.290 nan 0.000 0.493 162 L N 3.772 125.002 121.223 0.011 0.000 2.506 162 L HA 0.334 4.674 4.340 -0.001 0.000 0.281 162 L C -1.322 175.542 176.870 -0.011 0.000 1.228 162 L CA -1.246 53.602 54.840 0.015 0.000 0.850 162 L CB -0.033 42.054 42.059 0.047 0.000 1.110 162 L HN 0.230 nan 8.230 nan 0.000 0.496 163 P HA 0.230 nan 4.420 nan 0.000 0.279 163 P C -2.607 174.660 177.300 -0.055 0.000 1.252 163 P CA -1.749 61.331 63.100 -0.032 0.000 0.811 163 P CB 0.127 31.812 31.700 -0.024 0.000 1.035 164 P HA 0.023 nan 4.420 nan 0.000 0.268 164 P C -0.224 177.006 177.300 -0.116 0.000 1.204 164 P CA 0.209 63.260 63.100 -0.082 0.000 0.768 164 P CB 0.520 32.179 31.700 -0.068 0.000 0.842 165 V N -1.461 118.352 119.914 -0.168 0.000 2.881 165 V HA 0.959 5.078 4.120 -0.001 0.000 0.316 165 V C -0.308 175.660 176.094 -0.209 0.000 1.070 165 V CA -0.888 61.277 62.300 -0.226 0.000 0.976 165 V CB 1.173 32.724 31.823 -0.452 0.000 1.038 165 V HN 0.714 nan 8.190 nan 0.000 0.446 166 E N 0.675 120.747 120.200 -0.215 0.000 2.369 166 E HA 0.650 5.000 4.350 -0.001 0.000 0.270 166 E C -0.226 176.199 176.600 -0.291 0.000 0.909 166 E CA -0.547 55.644 56.400 -0.349 0.000 0.775 166 E CB 0.964 30.360 29.700 -0.507 0.000 1.270 166 E HN 1.644 nan 8.360 nan 0.000 0.445 167 H N 0.593 119.654 119.070 -0.016 0.000 2.982 167 H HA -0.127 4.429 4.556 -0.001 0.000 0.336 167 H C 1.030 176.414 175.328 0.092 0.000 1.302 167 H CA 0.714 56.790 56.048 0.047 0.000 1.204 167 H CB -2.125 27.678 29.762 0.069 0.000 1.502 167 H HN 0.607 nan 8.280 nan 0.000 0.446 168 L N -0.917 120.373 121.223 0.111 0.000 2.265 168 L HA -0.203 4.137 4.340 -0.001 0.000 0.215 168 L C 2.537 179.566 176.870 0.265 0.000 1.117 168 L CA 1.729 56.664 54.840 0.159 0.000 0.782 168 L CB -0.411 41.622 42.059 -0.044 0.000 0.914 168 L HN 0.434 nan 8.230 nan 0.000 0.441 169 Y N 0.854 121.233 120.300 0.132 0.000 2.206 169 Y HA -0.201 4.348 4.550 -0.001 0.000 0.292 169 Y C 2.278 178.227 175.900 0.082 0.000 1.123 169 Y CA 1.485 59.638 58.100 0.088 0.000 1.142 169 Y CB 0.017 38.494 38.460 0.029 0.000 1.006 169 Y HN 0.142 nan 8.280 nan 0.000 0.518 170 D N -0.553 119.868 120.400 0.036 0.000 2.144 170 D HA -0.202 4.437 4.640 -0.001 0.000 0.200 170 D C 1.776 178.074 176.300 -0.004 0.000 0.978 170 D CA 1.320 55.283 54.000 -0.062 0.000 0.833 170 D CB -0.573 40.275 40.800 0.080 0.000 0.961 170 D HN 0.450 nan 8.370 nan 0.000 0.470 171 Y N 1.619 121.909 120.300 -0.018 0.000 2.145 171 Y HA -0.097 4.452 4.550 -0.000 0.000 0.286 171 Y C 2.367 178.208 175.900 -0.098 0.000 1.145 171 Y CA 1.999 60.075 58.100 -0.039 0.000 1.148 171 Y CB -0.502 37.950 38.460 -0.012 0.000 0.981 171 Y HN -0.056 nan 8.280 nan 0.000 0.507 172 G N -1.890 106.836 108.800 -0.125 0.000 2.396 172 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.214 172 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.214 172 G C 1.225 175.841 174.900 -0.474 0.000 1.166 172 G CA 0.639 45.570 45.100 -0.281 0.000 0.793 172 G HN 0.451 nan 8.290 nan 0.000 0.533 173 Y N 0.698 120.600 120.300 -0.664 0.000 2.457 173 Y HA 0.215 4.765 4.550 -0.001 0.000 0.292 173 Y C 1.367 177.115 175.900 -0.253 0.000 1.125 173 Y CA 0.631 58.321 58.100 -0.683 0.000 1.254 173 Y CB -0.052 38.023 38.460 -0.641 0.000 1.012 173 Y HN 0.062 nan 8.280 nan 0.000 0.555 174 T N -0.328 114.186 114.554 -0.068 0.000 0.541 174 T HA -0.188 4.161 4.350 -0.001 0.000 0.774 174 T C 0.380 175.088 174.700 0.013 0.000 0.992 174 T CA 0.030 62.124 62.100 -0.010 0.000 4.077 174 T CB -0.372 68.529 68.868 0.055 0.000 2.303 174 T HN 0.274 nan 8.240 nan 0.000 0.398 175 D N 1.074 121.487 120.400 0.022 0.000 2.123 175 D HA -0.069 4.570 4.640 -0.001 0.000 0.196 175 D C 1.234 177.572 176.300 0.063 0.000 0.992 175 D CA 1.660 55.682 54.000 0.037 0.000 0.833 175 D CB 0.173 40.997 40.800 0.040 0.000 0.954 175 D HN 0.453 nan 8.370 nan 0.000 0.455 176 Q N 0.622 120.469 119.800 0.079 0.000 3.090 176 Q HA 0.243 4.583 4.340 -0.001 0.000 0.241 176 Q C -2.498 173.591 176.000 0.148 0.000 0.958 176 Q CA -1.422 54.449 55.803 0.114 0.000 0.715 176 Q CB 2.535 31.343 28.738 0.116 0.000 1.298 176 Q HN 0.192 nan 8.270 nan 0.000 0.468 177 P HA 0.032 nan 4.420 nan 0.000 0.269 177 P C -0.284 177.171 177.300 0.259 0.000 1.209 177 P CA -0.189 63.028 63.100 0.195 0.000 0.776 177 P CB 0.802 32.671 31.700 0.283 0.000 0.876 178 W N 2.127 123.411 121.300 -0.028 0.000 2.170 178 W HA 0.274 4.934 4.660 -0.000 0.000 0.336 178 W C 0.204 176.633 176.519 -0.150 0.000 1.283 178 W CA -0.053 57.251 57.345 -0.068 0.000 1.224 178 W CB -0.180 29.246 29.460 -0.056 0.000 1.132 178 W HN 0.149 nan 8.180 nan 0.000 0.571 179 L N 3.563 124.776 121.223 -0.017 0.000 2.318 179 L HA 0.600 4.940 4.340 -0.001 0.000 0.277 179 L C -0.014 176.663 176.870 -0.322 0.000 1.008 179 L CA -0.459 54.292 54.840 -0.147 0.000 0.846 179 L CB 0.854 42.864 42.059 -0.083 0.000 1.220 179 L HN 0.411 nan 8.230 nan 0.000 0.423 180 A N 4.783 127.273 122.820 -0.550 0.000 3.078 180 A HA 0.821 5.141 4.320 -0.001 0.000 0.279 180 A C 0.140 177.398 177.584 -0.543 0.000 1.594 180 A CA 0.316 51.824 52.037 -0.881 0.000 1.301 180 A CB -0.647 17.198 19.000 -1.924 0.000 1.162 180 A HN 0.948 nan 8.150 nan 0.000 0.585 181 A N 0.789 123.416 122.820 -0.321 0.000 2.556 181 A HA 0.631 4.950 4.320 -0.001 0.000 0.294 181 A C -0.762 176.745 177.584 -0.128 0.000 1.091 181 A CA -0.614 51.311 52.037 -0.187 0.000 0.704 181 A CB 0.878 19.800 19.000 -0.129 0.000 1.300 181 A HN 0.527 nan 8.150 nan 0.000 0.406 182 D N 1.899 122.252 120.400 -0.077 0.000 2.351 182 D HA 0.180 4.819 4.640 -0.001 0.000 0.251 182 D C -1.384 174.887 176.300 -0.048 0.000 1.137 182 D CA -1.335 52.633 54.000 -0.053 0.000 0.879 182 D CB 1.365 42.148 40.800 -0.029 0.000 1.181 182 D HN 0.214 nan 8.370 nan 0.000 0.448 183 P HA -0.115 nan 4.420 nan 0.000 0.222 183 P C 1.479 178.760 177.300 -0.032 0.000 1.147 183 P CA 0.456 63.532 63.100 -0.041 0.000 0.790 183 P CB 0.493 32.168 31.700 -0.041 0.000 0.780 184 V N -0.305 119.593 119.914 -0.027 0.000 2.446 184 V HA -0.124 3.996 4.120 -0.001 0.000 0.244 184 V C 2.553 178.634 176.094 -0.021 0.000 1.039 184 V CA 1.144 63.431 62.300 -0.022 0.000 1.045 184 V CB -0.931 30.881 31.823 -0.017 0.000 0.681 184 V HN 0.031 nan 8.190 nan 0.000 0.459 185 L N -0.097 121.117 121.223 -0.016 0.000 2.162 185 L HA 0.158 4.498 4.340 -0.001 0.000 0.205 185 L C 1.257 178.104 176.870 -0.039 0.000 1.086 185 L CA 1.560 56.395 54.840 -0.008 0.000 0.778 185 L CB 0.087 42.165 42.059 0.032 0.000 0.928 185 L HN 0.238 nan 8.230 nan 0.000 0.446 186 S N 2.085 117.762 115.700 -0.039 0.000 2.078 186 S HA 0.388 4.858 4.470 -0.001 0.000 0.168 186 S C -2.569 172.004 174.600 -0.045 0.000 1.542 186 S CA -1.092 57.075 58.200 -0.055 0.000 1.223 186 S CB 0.184 63.358 63.200 -0.043 0.000 1.152 186 S HN 0.216 nan 8.310 nan 0.000 0.452 187 P HA 0.140 nan 4.420 nan 0.000 0.269 187 P C -0.194 177.091 177.300 -0.025 0.000 1.209 187 P CA -0.368 62.713 63.100 -0.032 0.000 0.776 187 P CB 0.830 32.513 31.700 -0.028 0.000 0.876 188 L N 2.541 123.752 121.223 -0.019 0.000 2.464 188 L HA 0.208 4.548 4.340 -0.001 0.000 0.264 188 L C 1.690 178.558 176.870 -0.004 0.000 1.199 188 L CA -0.241 54.595 54.840 -0.008 0.000 0.818 188 L CB 0.078 42.134 42.059 -0.005 0.000 1.102 188 L HN 0.342 nan 8.230 nan 0.000 0.473 189 R N 2.341 122.843 120.500 0.004 0.000 2.607 189 R HA 0.263 4.602 4.340 -0.001 0.000 0.261 189 R C -1.616 174.688 176.300 0.007 0.000 1.051 189 R CA -1.660 54.442 56.100 0.004 0.000 1.110 189 R CB 0.351 30.656 30.300 0.007 0.000 1.158 189 R HN 0.409 nan 8.270 nan 0.000 0.543 190 P HA -0.099 nan 4.420 nan 0.000 0.231 190 P C 0.743 178.050 177.300 0.011 0.000 1.158 190 P CA 1.262 64.366 63.100 0.007 0.000 0.763 190 P CB 0.116 31.818 31.700 0.004 0.000 0.805 191 T N -5.514 109.049 114.554 0.015 0.000 3.069 191 T HA 0.116 4.466 4.350 -0.001 0.000 0.252 191 T C 0.741 175.458 174.700 0.029 0.000 1.053 191 T CA -0.015 62.098 62.100 0.021 0.000 0.964 191 T CB -0.277 68.604 68.868 0.022 0.000 1.005 191 T HN -0.026 nan 8.240 nan 0.000 0.532 192 D N 0.787 121.203 120.400 0.028 0.000 2.501 192 D HA 0.312 4.951 4.640 -0.001 0.000 0.226 192 D C 1.613 177.931 176.300 0.030 0.000 1.198 192 D CA -0.177 53.844 54.000 0.035 0.000 0.830 192 D CB 0.483 41.305 40.800 0.037 0.000 1.014 192 D HN 0.328 nan 8.370 nan 0.000 0.496 193 L N 0.686 121.924 121.223 0.024 0.000 2.079 193 L HA -0.107 4.232 4.340 -0.001 0.000 0.210 193 L C 2.266 179.152 176.870 0.027 0.000 1.081 193 L CA 1.509 56.361 54.840 0.020 0.000 0.752 193 L CB -0.383 41.685 42.059 0.016 0.000 0.896 193 L HN 0.140 nan 8.230 nan 0.000 0.433 194 G N -1.015 107.806 108.800 0.035 0.000 2.990 194 G HA2 -0.034 3.926 3.960 -0.001 0.000 0.206 194 G HA3 -0.034 3.926 3.960 -0.001 0.000 0.206 194 G C 0.443 175.378 174.900 0.058 0.000 1.169 194 G CA 0.032 45.158 45.100 0.044 0.000 0.819 194 G HN 0.214 nan 8.290 nan 0.000 0.517 195 T N 0.159 114.745 114.554 0.053 0.000 2.907 195 T HA 0.443 4.793 4.350 -0.001 0.000 0.284 195 T C -0.231 174.495 174.700 0.043 0.000 1.004 195 T CA -0.395 61.745 62.100 0.067 0.000 1.063 195 T CB 2.536 71.442 68.868 0.063 0.000 0.992 195 T HN -0.162 nan 8.240 nan 0.000 0.483 196 V N 3.247 123.194 119.914 0.055 0.000 2.350 196 V HA 0.352 4.472 4.120 -0.001 0.000 0.276 196 V C 0.087 176.100 176.094 -0.135 0.000 1.028 196 V CA -0.540 61.736 62.300 -0.040 0.000 0.860 196 V CB 1.120 32.912 31.823 -0.053 0.000 0.990 196 V HN 0.815 nan 8.190 nan 0.000 0.453 197 Q N 2.842 122.558 119.800 -0.139 0.000 2.368 197 Q HA 0.296 4.635 4.340 -0.001 0.000 0.263 197 Q C 1.045 176.931 176.000 -0.189 0.000 1.009 197 Q CA -0.126 55.582 55.803 -0.159 0.000 0.818 197 Q CB 1.663 30.341 28.738 -0.100 0.000 1.239 197 Q HN 0.939 nan 8.270 nan 0.000 0.464 198 T N 0.561 114.970 114.554 -0.241 0.000 2.937 198 T HA 0.433 4.783 4.350 -0.001 0.000 0.260 198 T C 0.837 175.492 174.700 -0.074 0.000 1.051 198 T CA 0.589 62.584 62.100 -0.175 0.000 1.141 198 T CB 0.146 68.942 68.868 -0.120 0.000 0.879 198 T HN 0.837 nan 8.240 nan 0.000 0.459 199 G N 0.465 109.206 108.800 -0.098 0.000 2.357 199 G HA2 0.443 4.402 3.960 -0.001 0.000 0.643 199 G HA3 0.443 4.402 3.960 -0.001 0.000 0.643 199 G C -0.498 174.349 174.900 -0.088 0.000 1.358 199 G CA -0.532 44.532 45.100 -0.059 0.000 0.986 199 G HN 0.832 nan 8.290 nan 0.000 0.620 200 A N -0.084 122.698 122.820 -0.064 0.000 2.445 200 A HA 0.556 4.875 4.320 -0.001 0.000 0.242 200 A C -0.309 177.343 177.584 0.113 0.000 1.075 200 A CA 0.226 52.211 52.037 -0.087 0.000 0.777 200 A CB 0.135 19.107 19.000 -0.045 0.000 1.013 200 A HN 1.051 nan 8.150 nan 0.000 0.493 201 W N 2.527 123.785 121.300 -0.071 0.000 2.288 201 W HA 0.556 5.215 4.660 -0.001 0.000 0.325 201 W C -0.648 175.838 176.519 -0.056 0.000 1.019 201 W CA -0.875 56.428 57.345 -0.069 0.000 1.403 201 W CB 0.025 29.442 29.460 -0.071 0.000 1.226 201 W HN 0.331 nan 8.180 nan 0.000 0.391 202 I N 3.724 124.385 120.570 0.152 0.000 2.569 202 I HA 0.280 4.450 4.170 -0.001 0.000 0.296 202 I C -0.333 175.808 176.117 0.041 0.000 1.028 202 I CA -1.331 60.014 61.300 0.074 0.000 1.082 202 I CB 2.094 40.117 38.000 0.038 0.000 1.264 202 I HN -0.038 nan 8.210 nan 0.000 0.429 203 L N 8.146 129.385 121.223 0.027 0.000 2.367 203 L HA 0.447 4.787 4.340 -0.001 0.000 0.275 203 L C -2.265 174.603 176.870 -0.003 0.000 1.129 203 L CA -1.026 53.818 54.840 0.006 0.000 0.839 203 L CB 0.226 42.290 42.059 0.009 0.000 1.133 203 L HN 0.314 nan 8.230 nan 0.000 0.453 204 P HA 0.102 nan 4.420 nan 0.000 0.269 204 P C -1.528 175.763 177.300 -0.015 0.000 1.209 204 P CA -0.051 63.040 63.100 -0.014 0.000 0.776 204 P CB 0.447 32.137 31.700 -0.017 0.000 0.876 205 D N 1.865 122.253 120.400 -0.020 0.000 2.481 205 D HA 0.084 4.723 4.640 -0.001 0.000 0.246 205 D C 0.407 176.694 176.300 -0.021 0.000 1.109 205 D CA -0.292 53.695 54.000 -0.022 0.000 0.845 205 D CB 0.981 41.760 40.800 -0.036 0.000 1.160 205 D HN 0.205 nan 8.370 nan 0.000 0.534 206 E N 2.417 122.608 120.200 -0.015 0.000 2.340 206 E HA 0.056 4.406 4.350 -0.001 0.000 0.194 206 E C 0.374 176.967 176.600 -0.011 0.000 0.996 206 E CA -0.007 56.385 56.400 -0.013 0.000 0.869 206 E CB 0.333 30.028 29.700 -0.009 0.000 0.835 206 E HN 0.394 nan 8.360 nan 0.000 0.493 207 R N 2.799 123.293 120.500 -0.010 0.000 2.500 207 R HA -0.028 4.312 4.340 -0.001 0.000 0.281 207 R C -1.946 174.347 176.300 -0.011 0.000 0.953 207 R CA -0.105 55.991 56.100 -0.006 0.000 1.108 207 R CB -0.270 30.029 30.300 -0.003 0.000 0.901 207 R HN 0.100 nan 8.270 nan 0.000 0.410 208 P HA 0.178 nan 4.420 nan 0.000 0.281 208 P C -0.598 176.697 177.300 -0.010 0.000 1.281 208 P CA -0.544 62.551 63.100 -0.009 0.000 0.811 208 P CB 0.821 32.519 31.700 -0.003 0.000 1.154 209 L N 0.640 121.854 121.223 -0.015 0.000 2.350 209 L HA 0.217 4.556 4.340 -0.001 0.000 0.275 209 L C 1.441 178.308 176.870 -0.004 0.000 1.099 209 L CA -0.522 54.306 54.840 -0.019 0.000 0.808 209 L CB 0.776 42.812 42.059 -0.038 0.000 1.149 209 L HN 0.495 nan 8.230 nan 0.000 0.442 210 S N 1.787 117.494 115.700 0.012 0.000 2.569 210 S HA 0.075 4.545 4.470 -0.001 0.000 0.274 210 S C 1.172 175.791 174.600 0.032 0.000 1.353 210 S CA -0.044 58.178 58.200 0.037 0.000 1.023 210 S CB 1.142 64.388 63.200 0.077 0.000 0.876 210 S HN 0.722 nan 8.310 nan 0.000 0.540 211 A N 1.572 124.419 122.820 0.044 0.000 1.933 211 A HA -0.047 4.273 4.320 -0.001 0.000 0.218 211 A C 2.028 179.652 177.584 0.067 0.000 1.175 211 A CA 1.652 53.715 52.037 0.043 0.000 0.628 211 A CB -1.081 17.945 19.000 0.043 0.000 0.814 211 A HN 0.948 nan 8.150 nan 0.000 0.444 212 E N -0.387 119.882 120.200 0.115 0.000 2.031 212 E HA -0.187 4.163 4.350 -0.001 0.000 0.193 212 E C 1.918 178.609 176.600 0.151 0.000 0.994 212 E CA 1.313 57.835 56.400 0.203 0.000 0.800 212 E CB -0.396 29.493 29.700 0.316 0.000 0.752 212 E HN 0.463 nan 8.360 nan 0.000 0.447 213 L N 1.517 122.717 121.223 -0.038 0.000 2.012 213 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 213 L C 1.908 178.665 176.870 -0.188 0.000 1.073 213 L CA 1.900 56.427 54.840 -0.522 0.000 0.748 213 L CB -0.490 41.283 42.059 -0.475 0.000 0.891 213 L HN 0.047 nan 8.230 nan 0.000 0.431 214 E N 0.066 120.220 120.200 -0.076 0.000 2.097 214 E HA -0.257 4.092 4.350 -0.001 0.000 0.196 214 E C 2.172 178.764 176.600 -0.013 0.000 1.000 214 E CA 1.490 57.866 56.400 -0.039 0.000 0.804 214 E CB -0.528 29.163 29.700 -0.015 0.000 0.740 214 E HN 0.660 nan 8.360 nan 0.000 0.454 215 A N 0.958 123.796 122.820 0.031 0.000 1.877 215 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 215 A C 2.079 179.720 177.584 0.095 0.000 1.186 215 A CA 1.394 53.471 52.037 0.067 0.000 0.620 215 A CB -0.798 18.267 19.000 0.109 0.000 0.822 215 A HN 0.273 nan 8.150 nan 0.000 0.443 216 F N 0.748 120.665 119.950 -0.054 0.000 2.051 216 F HA -0.157 4.370 4.527 -0.001 0.000 0.296 216 F C 2.004 177.763 175.800 -0.068 0.000 1.122 216 F CA 1.764 59.738 58.000 -0.042 0.000 1.201 216 F CB -0.646 38.268 39.000 -0.143 0.000 0.978 216 F HN 0.149 nan 8.300 nan 0.000 0.472 217 L N 0.236 121.357 121.223 -0.171 0.000 1.997 217 L HA -0.326 4.014 4.340 -0.001 0.000 0.216 217 L C 2.804 179.551 176.870 -0.204 0.000 1.074 217 L CA 1.679 56.376 54.840 -0.238 0.000 0.763 217 L CB -1.514 40.480 42.059 -0.109 0.000 0.890 217 L HN 0.316 nan 8.230 nan 0.000 0.434 218 A N 0.003 122.753 122.820 -0.116 0.000 1.908 218 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 218 A C 2.282 179.809 177.584 -0.096 0.000 1.181 218 A CA 1.603 53.590 52.037 -0.083 0.000 0.627 218 A CB -0.790 18.184 19.000 -0.042 0.000 0.818 218 A HN 0.438 nan 8.150 nan 0.000 0.445 219 A N -1.242 121.516 122.820 -0.103 0.000 2.253 219 A HA 0.428 4.748 4.320 -0.001 0.000 0.203 219 A C 1.108 178.614 177.584 -0.129 0.000 1.272 219 A CA 1.424 53.410 52.037 -0.086 0.000 0.847 219 A CB -1.227 17.758 19.000 -0.025 0.000 0.772 219 A HN 1.680 nan 8.150 nan 0.000 0.494 220 G N -1.693 107.007 108.800 -0.166 0.000 2.336 220 G HA2 0.401 4.361 3.960 -0.001 0.000 0.286 220 G HA3 0.401 4.361 3.960 -0.001 0.000 0.286 220 G C -0.365 174.446 174.900 -0.148 0.000 1.269 220 G CA -0.076 44.933 45.100 -0.151 0.000 0.873 220 G HN 0.910 nan 8.290 nan 0.000 0.494 221 S N -0.117 115.511 115.700 -0.121 0.000 2.562 221 S HA 0.463 4.933 4.470 -0.001 0.000 0.281 221 S C 0.501 175.036 174.600 -0.108 0.000 1.333 221 S CA 0.395 58.542 58.200 -0.089 0.000 1.052 221 S CB 0.852 64.020 63.200 -0.053 0.000 0.884 221 S HN 1.042 nan 8.310 nan 0.000 0.506 222 T N 5.827 120.338 114.554 -0.073 0.000 2.800 222 T HA 0.153 4.503 4.350 -0.001 0.000 0.283 222 T C -1.604 173.079 174.700 -0.027 0.000 0.999 222 T CA -0.343 61.724 62.100 -0.054 0.000 1.176 222 T CB -0.485 68.370 68.868 -0.022 0.000 0.973 222 T HN 0.625 nan 8.240 nan 0.000 0.519 223 P HA 0.413 nan 4.420 nan 0.000 0.279 223 P C -0.842 176.523 177.300 0.107 0.000 1.276 223 P CA -0.585 62.554 63.100 0.065 0.000 0.801 223 P CB 0.835 32.618 31.700 0.139 0.000 1.127 224 V N 0.529 120.524 119.914 0.135 0.000 2.513 224 V HA 0.226 4.346 4.120 -0.001 0.000 0.299 224 V C -0.293 175.921 176.094 0.200 0.000 1.035 224 V CA -0.685 61.701 62.300 0.145 0.000 0.889 224 V CB 1.186 33.069 31.823 0.100 0.000 0.988 224 V HN 0.481 nan 8.190 nan 0.000 0.440 225 Y N 4.263 124.638 120.300 0.126 0.000 2.304 225 Y HA 0.636 5.186 4.550 -0.001 0.000 0.328 225 Y C -0.431 175.553 175.900 0.139 0.000 1.123 225 Y CA -0.239 57.961 58.100 0.167 0.000 1.218 225 Y CB 1.471 40.090 38.460 0.265 0.000 1.207 225 Y HN 0.374 nan 8.280 nan 0.000 0.495 226 V N 5.494 125.056 119.914 -0.586 0.000 2.525 226 V HA 0.746 4.866 4.120 -0.001 0.000 0.299 226 V C -0.277 175.411 176.094 -0.676 0.000 1.034 226 V CA -0.256 61.825 62.300 -0.366 0.000 0.863 226 V CB 1.450 33.239 31.823 -0.057 0.000 0.999 226 V HN 1.007 nan 8.190 nan 0.000 0.423 227 G N 2.974 111.506 108.800 -0.447 0.000 2.734 227 G HA2 0.586 4.546 3.960 -0.001 0.000 0.293 227 G HA3 0.586 4.546 3.960 -0.001 0.000 0.293 227 G C -1.026 173.799 174.900 -0.125 0.000 1.422 227 G CA -0.272 44.728 45.100 -0.167 0.000 1.177 227 G HN 0.472 nan 8.290 nan 0.000 0.565 228 F N 1.838 121.786 119.950 -0.003 0.000 2.698 228 F HA 0.500 5.027 4.527 -0.001 0.000 0.304 228 F C 1.444 176.853 175.800 -0.651 0.000 1.108 228 F CA 0.498 58.390 58.000 -0.179 0.000 1.263 228 F CB 1.026 39.972 39.000 -0.090 0.000 1.013 228 F HN 1.054 nan 8.300 nan 0.000 0.532 229 G N 0.679 109.309 108.800 -0.283 0.000 2.627 229 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.214 229 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.214 229 G C 0.562 175.427 174.900 -0.057 0.000 1.331 229 G CA -0.236 44.726 45.100 -0.230 0.000 0.891 229 G HN 0.337 nan 8.290 nan 0.000 0.539 230 S N -1.203 114.492 115.700 -0.009 0.000 2.605 230 S HA 0.509 4.979 4.470 -0.001 0.000 0.217 230 S C 1.124 175.737 174.600 0.023 0.000 0.958 230 S CA 1.127 59.344 58.200 0.028 0.000 0.919 230 S CB 0.474 63.713 63.200 0.065 0.000 0.780 230 S HN 1.920 nan 8.310 nan 0.000 0.507 231 S N 2.663 118.365 115.700 0.003 0.000 2.515 231 S HA 0.157 4.626 4.470 -0.001 0.000 0.285 231 S C 1.228 175.833 174.600 0.008 0.000 1.265 231 S CA 0.020 58.228 58.200 0.014 0.000 1.079 231 S CB 0.326 63.535 63.200 0.014 0.000 0.877 231 S HN 0.580 nan 8.310 nan 0.000 0.493 232 S N 4.612 120.320 115.700 0.013 0.000 2.593 232 S HA 0.170 4.639 4.470 -0.001 0.000 0.217 232 S C 0.701 175.300 174.600 -0.001 0.000 0.966 232 S CA -0.375 57.829 58.200 0.007 0.000 0.914 232 S CB -0.140 63.069 63.200 0.014 0.000 0.776 232 S HN 0.772 nan 8.310 nan 0.000 0.523 233 R N 2.350 122.851 120.500 0.002 0.000 2.494 233 R HA 0.070 4.410 4.340 -0.001 0.000 0.291 233 R C -1.723 174.565 176.300 -0.019 0.000 0.953 233 R CA -1.029 55.070 56.100 -0.002 0.000 1.098 233 R CB 0.181 30.485 30.300 0.007 0.000 0.911 233 R HN 0.141 nan 8.270 nan 0.000 0.407 234 P HA -0.285 nan 4.420 nan 0.000 0.218 234 P C 0.661 177.931 177.300 -0.050 0.000 1.154 234 P CA 2.030 65.112 63.100 -0.031 0.000 0.872 234 P CB 0.148 31.835 31.700 -0.022 0.000 0.790 235 A N -1.175 121.618 122.820 -0.046 0.000 1.908 235 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 235 A C 2.228 179.740 177.584 -0.120 0.000 1.181 235 A CA 2.508 54.504 52.037 -0.067 0.000 0.627 235 A CB -1.894 17.081 19.000 -0.042 0.000 0.818 235 A HN 0.189 nan 8.150 nan 0.000 0.445 236 T N 0.410 114.901 114.554 -0.105 0.000 2.759 236 T HA -0.079 4.271 4.350 -0.001 0.000 0.269 236 T C 2.148 176.711 174.700 -0.227 0.000 1.042 236 T CA 1.663 63.665 62.100 -0.163 0.000 1.140 236 T CB -0.431 68.399 68.868 -0.063 0.000 0.864 236 T HN 0.619 nan 8.240 nan 0.000 0.455 237 A N 1.674 124.411 122.820 -0.140 0.000 1.930 237 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 237 A C 2.176 179.668 177.584 -0.153 0.000 1.175 237 A CA 1.392 53.354 52.037 -0.125 0.000 0.627 237 A CB -0.483 18.471 19.000 -0.075 0.000 0.815 237 A HN 0.338 nan 8.150 nan 0.000 0.443 238 D N 0.097 120.408 120.400 -0.149 0.000 2.117 238 D HA -0.051 4.589 4.640 -0.001 0.000 0.198 238 D C 2.266 178.445 176.300 -0.201 0.000 0.982 238 D CA 1.395 55.312 54.000 -0.138 0.000 0.828 238 D CB -0.236 40.502 40.800 -0.103 0.000 0.967 238 D HN 0.408 nan 8.370 nan 0.000 0.464 239 A N 1.257 123.881 122.820 -0.328 0.000 1.902 239 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 239 A C 2.342 179.576 177.584 -0.584 0.000 1.181 239 A CA 2.143 53.875 52.037 -0.509 0.000 0.623 239 A CB -0.628 17.875 19.000 -0.828 0.000 0.818 239 A HN 0.237 nan 8.150 nan 0.000 0.443 240 A N -0.350 122.115 122.820 -0.591 0.000 1.877 240 A HA -0.002 4.318 4.320 -0.001 0.000 0.216 240 A C 2.421 179.943 177.584 -0.103 0.000 1.186 240 A CA 3.093 54.979 52.037 -0.252 0.000 0.620 240 A CB -1.057 17.874 19.000 -0.115 0.000 0.822 240 A HN 0.735 nan 8.150 nan 0.000 0.443 241 K N -1.186 119.144 120.400 -0.116 0.000 2.063 241 K HA -0.100 4.220 4.320 -0.001 0.000 0.208 241 K C 1.945 178.515 176.600 -0.050 0.000 1.048 241 K CA 2.275 58.522 56.287 -0.067 0.000 0.928 241 K CB -0.834 31.625 32.500 -0.068 0.000 0.713 241 K HN 0.483 nan 8.250 nan 0.000 0.442 242 M N 0.438 119.995 119.600 -0.072 0.000 2.229 242 M HA 0.157 4.637 4.480 -0.001 0.000 0.264 242 M C 2.347 178.644 176.300 -0.005 0.000 1.063 242 M CA 1.529 56.804 55.300 -0.042 0.000 1.114 242 M CB -0.186 32.378 32.600 -0.060 0.000 1.387 242 M HN 0.416 nan 8.290 nan 0.000 0.420 243 A N 0.036 122.865 122.820 0.014 0.000 1.930 243 A HA -0.032 4.288 4.320 -0.001 0.000 0.215 243 A C 1.957 179.579 177.584 0.063 0.000 1.176 243 A CA 1.225 53.313 52.037 0.085 0.000 0.632 243 A CB -0.760 18.371 19.000 0.219 0.000 0.819 243 A HN 0.486 nan 8.150 nan 0.000 0.445 244 I N 0.249 120.843 120.570 0.041 0.000 2.163 244 I HA -0.268 3.902 4.170 -0.001 0.000 0.243 244 I C 2.234 178.368 176.117 0.029 0.000 1.085 244 I CA 1.725 63.044 61.300 0.032 0.000 1.347 244 I CB -1.268 36.740 38.000 0.013 0.000 1.044 244 I HN 0.368 nan 8.210 nan 0.000 0.408 245 K N 0.820 121.230 120.400 0.018 0.000 2.057 245 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 245 K C 2.252 178.865 176.600 0.021 0.000 1.049 245 K CA 1.516 57.812 56.287 0.015 0.000 0.931 245 K CB -0.168 32.334 32.500 0.005 0.000 0.714 245 K HN 0.309 nan 8.250 nan 0.000 0.440 246 A N 0.875 123.711 122.820 0.027 0.000 1.972 246 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 246 A C 2.285 179.889 177.584 0.033 0.000 1.169 246 A CA 1.287 53.341 52.037 0.029 0.000 0.635 246 A CB -0.447 18.574 19.000 0.036 0.000 0.810 246 A HN 0.075 nan 8.150 nan 0.000 0.446 247 V N -0.246 119.693 119.914 0.041 0.000 2.379 247 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 247 V C 2.590 178.709 176.094 0.041 0.000 1.044 247 V CA 2.032 64.359 62.300 0.046 0.000 1.036 247 V CB -0.782 31.076 31.823 0.058 0.000 0.664 247 V HN 0.508 nan 8.190 nan 0.000 0.453 248 R N 0.404 120.927 120.500 0.038 0.000 2.066 248 R HA -0.083 4.257 4.340 -0.001 0.000 0.232 248 R C 2.447 178.763 176.300 0.027 0.000 1.131 248 R CA 1.422 57.542 56.100 0.034 0.000 0.955 248 R CB -0.694 29.624 30.300 0.030 0.000 0.851 248 R HN 0.499 nan 8.270 nan 0.000 0.432 249 A N 0.397 123.231 122.820 0.023 0.000 2.084 249 A HA -0.141 4.179 4.320 -0.001 0.000 0.221 249 A C 1.797 179.392 177.584 0.018 0.000 1.161 249 A CA 1.660 53.707 52.037 0.018 0.000 0.653 249 A CB -0.201 18.808 19.000 0.016 0.000 0.802 249 A HN 0.208 nan 8.150 nan 0.000 0.457 250 S N -1.285 114.428 115.700 0.021 0.000 2.597 250 S HA 0.392 4.861 4.470 -0.001 0.000 0.224 250 S C 1.052 175.664 174.600 0.020 0.000 0.955 250 S CA 0.429 58.641 58.200 0.019 0.000 0.933 250 S CB -0.114 63.099 63.200 0.021 0.000 0.788 250 S HN 1.549 nan 8.310 nan 0.000 0.488 251 G N 2.898 111.711 108.800 0.022 0.000 2.359 251 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.298 251 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.298 251 G C -0.223 174.690 174.900 0.023 0.000 1.030 251 G CA -0.006 45.107 45.100 0.021 0.000 1.149 251 G HN 0.281 nan 8.290 nan 0.000 0.512 252 R N -0.915 119.605 120.500 0.034 0.000 2.771 252 R HA 0.505 4.845 4.340 -0.001 0.000 0.274 252 R C 0.604 176.942 176.300 0.063 0.000 0.987 252 R CA -0.973 55.150 56.100 0.039 0.000 0.908 252 R CB 1.399 31.723 30.300 0.040 0.000 1.213 252 R HN 0.400 nan 8.270 nan 0.000 0.468 253 R N 0.885 121.427 120.500 0.070 0.000 2.583 253 R HA 0.561 4.901 4.340 -0.001 0.000 0.268 253 R C 0.135 176.548 176.300 0.187 0.000 1.101 253 R CA -0.298 55.887 56.100 0.142 0.000 1.180 253 R CB 0.633 30.995 30.300 0.103 0.000 1.128 253 R HN 0.410 nan 8.270 nan 0.000 0.568 254 I N 0.069 120.807 120.570 0.279 0.000 2.730 254 I HA 0.325 4.494 4.170 -0.001 0.000 0.298 254 I C -0.904 175.386 176.117 0.289 0.000 1.089 254 I CA -1.072 60.361 61.300 0.223 0.000 1.041 254 I CB 2.410 40.484 38.000 0.123 0.000 1.235 254 I HN 0.164 nan 8.210 nan 0.000 0.423 255 V N 5.730 125.780 119.914 0.226 0.000 2.325 255 V HA 0.336 4.455 4.120 -0.001 0.000 0.280 255 V C -0.469 175.658 176.094 0.055 0.000 1.016 255 V CA -0.446 61.991 62.300 0.228 0.000 0.818 255 V CB 1.506 33.516 31.823 0.311 0.000 1.019 255 V HN 0.413 nan 8.190 nan 0.000 0.434 256 L N 4.335 125.564 121.223 0.010 0.000 2.343 256 L HA 0.703 5.042 4.340 -0.001 0.000 0.275 256 L C 0.301 177.124 176.870 -0.078 0.000 1.056 256 L CA 0.704 55.488 54.840 -0.093 0.000 0.804 256 L CB 2.074 44.097 42.059 -0.060 0.000 1.203 256 L HN 0.538 nan 8.230 nan 0.000 0.440 257 S N 3.809 119.433 115.700 -0.127 0.000 2.541 257 S HA 0.747 5.217 4.470 -0.001 0.000 0.283 257 S C -0.728 173.838 174.600 -0.058 0.000 1.196 257 S CA -0.709 57.459 58.200 -0.052 0.000 1.062 257 S CB 0.354 63.551 63.200 -0.005 0.000 1.009 257 S HN 0.629 nan 8.310 nan 0.000 0.502 258 R N 1.784 122.232 120.500 -0.088 0.000 2.626 258 R HA 0.424 4.764 4.340 -0.001 0.000 0.274 258 R C 0.106 176.311 176.300 -0.159 0.000 1.031 258 R CA -0.724 55.311 56.100 -0.107 0.000 0.898 258 R CB 1.302 31.525 30.300 -0.128 0.000 1.222 258 R HN 0.756 nan 8.270 nan 0.000 0.455 259 G N -0.078 108.660 108.800 -0.104 0.000 2.528 259 G HA2 0.253 4.213 3.960 -0.001 0.000 0.289 259 G HA3 0.253 4.213 3.960 -0.001 0.000 0.289 259 G C -0.015 174.825 174.900 -0.099 0.000 1.192 259 G CA -0.588 44.458 45.100 -0.091 0.000 0.921 259 G HN 0.654 nan 8.290 nan 0.000 0.512 260 W N -0.047 121.251 121.300 -0.004 0.000 2.595 260 W HA 0.176 4.836 4.660 -0.001 0.000 0.257 260 W C 2.337 178.849 176.519 -0.011 0.000 1.267 260 W CA 0.748 58.088 57.345 -0.008 0.000 1.300 260 W CB 0.200 29.655 29.460 -0.008 0.000 1.120 260 W HN 0.524 nan 8.180 nan 0.000 0.618 261 A N -0.688 122.246 122.820 0.191 0.000 2.267 261 A HA 0.068 4.388 4.320 -0.001 0.000 0.213 261 A C 0.417 178.034 177.584 0.055 0.000 1.192 261 A CA 0.126 52.229 52.037 0.110 0.000 0.851 261 A CB -0.329 18.725 19.000 0.090 0.000 0.881 261 A HN -0.124 nan 8.150 nan 0.000 0.494 262 D N -0.006 120.412 120.400 0.031 0.000 2.362 262 D HA 0.366 5.006 4.640 -0.001 0.000 0.242 262 D C 0.176 176.473 176.300 -0.005 0.000 1.132 262 D CA 0.078 54.078 54.000 0.000 0.000 0.907 262 D CB 0.736 41.521 40.800 -0.025 0.000 1.195 262 D HN 0.199 nan 8.370 nan 0.000 0.429 263 L N 0.836 122.052 121.223 -0.013 0.000 2.452 263 L HA 0.117 4.457 4.340 -0.001 0.000 0.267 263 L C 0.353 177.204 176.870 -0.031 0.000 1.188 263 L CA -0.746 54.085 54.840 -0.016 0.000 0.821 263 L CB 0.579 42.628 42.059 -0.016 0.000 1.102 263 L HN 0.043 nan 8.230 nan 0.000 0.470 264 V N 2.718 122.613 119.914 -0.032 0.000 2.763 264 V HA -0.084 4.035 4.120 -0.001 0.000 0.306 264 V C 0.367 176.429 176.094 -0.052 0.000 1.059 264 V CA -0.295 61.977 62.300 -0.047 0.000 1.138 264 V CB 0.982 32.780 31.823 -0.042 0.000 0.940 264 V HN 0.329 nan 8.190 nan 0.000 0.489 265 L N 7.938 129.120 121.223 -0.069 0.000 2.361 265 L HA 0.312 4.651 4.340 -0.001 0.000 0.278 265 L C -0.960 175.873 176.870 -0.060 0.000 1.113 265 L CA -1.007 53.793 54.840 -0.067 0.000 0.849 265 L CB 0.602 42.611 42.059 -0.084 0.000 1.155 265 L HN 0.487 nan 8.230 nan 0.000 0.452 266 P HA -0.133 nan 4.420 nan 0.000 0.219 266 P C -0.348 176.926 177.300 -0.043 0.000 1.161 266 P CA 1.911 64.987 63.100 -0.039 0.000 0.909 266 P CB -0.013 31.668 31.700 -0.032 0.000 0.793 267 D N -3.047 117.325 120.400 -0.048 0.000 2.742 267 D HA 0.373 5.013 4.640 -0.001 0.000 0.262 267 D C -1.746 174.522 176.300 -0.054 0.000 1.240 267 D CA -0.705 53.266 54.000 -0.049 0.000 0.752 267 D CB 0.579 41.359 40.800 -0.034 0.000 1.290 267 D HN -0.185 nan 8.370 nan 0.000 0.420 268 D N -0.316 120.049 120.400 -0.058 0.000 2.602 268 D HA 0.520 5.160 4.640 -0.001 0.000 0.245 268 D C 0.515 176.798 176.300 -0.029 0.000 1.325 268 D CA -0.116 53.850 54.000 -0.057 0.000 0.952 268 D CB 1.346 42.082 40.800 -0.107 0.000 1.317 268 D HN 0.756 nan 8.370 nan 0.000 0.577 269 G N 0.888 109.686 108.800 -0.002 0.000 2.474 269 G HA2 0.205 4.164 3.960 -0.001 0.000 0.233 269 G HA3 0.205 4.164 3.960 -0.001 0.000 0.233 269 G C 1.138 176.068 174.900 0.050 0.000 1.278 269 G CA 0.044 45.159 45.100 0.025 0.000 0.861 269 G HN 0.517 nan 8.290 nan 0.000 0.567 270 A N 1.206 124.070 122.820 0.074 0.000 2.309 270 A HA -0.045 4.274 4.320 -0.001 0.000 0.210 270 A C 1.760 179.505 177.584 0.269 0.000 1.216 270 A CA 1.711 53.830 52.037 0.137 0.000 0.731 270 A CB -0.193 18.884 19.000 0.127 0.000 0.762 270 A HN 0.742 nan 8.150 nan 0.000 0.497 271 D N -2.153 118.380 120.400 0.222 0.000 2.369 271 D HA 0.070 4.710 4.640 -0.001 0.000 0.211 271 D C 0.317 176.837 176.300 0.366 0.000 1.077 271 D CA -0.045 54.143 54.000 0.313 0.000 0.842 271 D CB -0.737 40.166 40.800 0.171 0.000 0.947 271 D HN 0.222 nan 8.370 nan 0.000 0.509 272 C N 0.784 120.184 119.300 0.165 0.000 2.379 272 C HA 0.709 5.169 4.460 -0.001 0.000 0.323 272 C C -1.319 173.544 174.990 -0.212 0.000 1.262 272 C CA -0.951 58.091 59.018 0.040 0.000 1.581 272 C CB -0.390 27.352 27.740 0.003 0.000 2.221 272 C HN 0.230 nan 8.230 nan 0.000 0.497 273 F N 5.977 125.629 119.950 -0.498 0.000 2.460 273 F HA 0.604 5.131 4.527 -0.001 0.000 0.341 273 F C -0.227 175.390 175.800 -0.304 0.000 1.130 273 F CA -0.492 57.118 58.000 -0.651 0.000 0.962 273 F CB 1.391 39.666 39.000 -1.208 0.000 1.171 273 F HN 0.453 nan 8.300 nan 0.000 0.436 274 V N 6.880 126.542 119.914 -0.420 0.000 2.583 274 V HA 0.364 4.484 4.120 -0.001 0.000 0.287 274 V C -0.471 175.557 176.094 -0.110 0.000 1.051 274 V CA -0.336 61.834 62.300 -0.217 0.000 1.010 274 V CB 1.321 32.988 31.823 -0.260 0.000 0.988 274 V HN 0.568 nan 8.190 nan 0.000 0.478 275 V N 4.420 124.351 119.914 0.028 0.000 2.709 275 V HA 0.851 4.971 4.120 -0.001 0.000 0.308 275 V C 0.458 176.527 176.094 -0.042 0.000 1.062 275 V CA 0.455 62.809 62.300 0.091 0.000 0.901 275 V CB 1.900 33.852 31.823 0.215 0.000 1.003 275 V HN 0.905 nan 8.190 nan 0.000 0.425 276 G N 3.356 112.085 108.800 -0.119 0.000 3.387 276 G HA2 0.217 4.177 3.960 -0.001 0.000 0.195 276 G HA3 0.217 4.177 3.960 -0.001 0.000 0.195 276 G C 0.063 174.867 174.900 -0.160 0.000 1.853 276 G CA -0.215 44.727 45.100 -0.264 0.000 0.879 276 G HN 0.613 nan 8.290 nan 0.000 0.651 277 E N 1.158 121.266 120.200 -0.154 0.000 2.323 277 E HA 0.141 4.490 4.350 -0.001 0.000 0.313 277 E C -0.155 176.454 176.600 0.015 0.000 1.236 277 E CA -0.093 56.320 56.400 0.023 0.000 1.333 277 E CB 0.166 29.988 29.700 0.204 0.000 1.138 277 E HN 0.073 nan 8.360 nan 0.000 0.492 278 V N 2.016 121.921 119.914 -0.015 0.000 2.997 278 V HA 0.151 4.270 4.120 -0.001 0.000 0.311 278 V C 0.268 176.320 176.094 -0.070 0.000 1.066 278 V CA -0.834 61.449 62.300 -0.028 0.000 1.039 278 V CB 1.870 33.680 31.823 -0.022 0.000 1.081 278 V HN 0.339 nan 8.190 nan 0.000 0.467 279 N N 3.973 122.623 118.700 -0.082 0.000 2.415 279 N HA 0.085 4.825 4.740 -0.001 0.000 0.250 279 N C 0.401 175.782 175.510 -0.216 0.000 1.127 279 N CA -0.050 52.932 53.050 -0.114 0.000 0.945 279 N CB 0.687 39.128 38.487 -0.077 0.000 1.196 279 N HN 0.620 nan 8.380 nan 0.000 0.499 280 L N 3.557 124.583 121.223 -0.329 0.000 2.201 280 L HA -0.066 4.273 4.340 -0.001 0.000 0.212 280 L C 2.090 178.612 176.870 -0.579 0.000 1.105 280 L CA 1.522 55.957 54.840 -0.674 0.000 0.775 280 L CB -0.436 41.115 42.059 -0.847 0.000 0.913 280 L HN 0.638 nan 8.230 nan 0.000 0.440 281 Q N -1.078 118.552 119.800 -0.282 0.000 2.020 281 Q HA -0.270 4.070 4.340 -0.001 0.000 0.202 281 Q C 2.094 178.041 176.000 -0.088 0.000 0.982 281 Q CA 1.893 57.617 55.803 -0.131 0.000 0.838 281 Q CB -0.084 28.608 28.738 -0.076 0.000 0.899 281 Q HN 0.380 nan 8.270 nan 0.000 0.423 282 E N 0.470 120.611 120.200 -0.098 0.000 2.152 282 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 282 E C 1.646 178.212 176.600 -0.056 0.000 0.983 282 E CA 0.487 56.851 56.400 -0.060 0.000 0.818 282 E CB -0.091 29.576 29.700 -0.055 0.000 0.758 282 E HN 0.198 nan 8.360 nan 0.000 0.467 283 L N -0.387 120.765 121.223 -0.118 0.000 2.072 283 L HA 0.004 4.344 4.340 -0.001 0.000 0.205 283 L C 1.786 178.678 176.870 0.038 0.000 1.079 283 L CA 1.508 56.299 54.840 -0.082 0.000 0.752 283 L CB -0.724 41.239 42.059 -0.161 0.000 0.906 283 L HN 0.112 nan 8.230 nan 0.000 0.436 284 F N 0.537 120.410 119.950 -0.129 0.000 2.202 284 F HA -0.054 4.473 4.527 -0.001 0.000 0.301 284 F C 2.397 178.158 175.800 -0.066 0.000 1.082 284 F CA 0.915 58.839 58.000 -0.126 0.000 1.313 284 F CB -1.654 37.251 39.000 -0.159 0.000 1.024 284 F HN 0.240 nan 8.300 nan 0.000 0.495 285 G N -0.857 108.024 108.800 0.134 0.000 3.061 285 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.208 285 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.208 285 G C 1.521 176.446 174.900 0.042 0.000 1.175 285 G CA -0.000 45.138 45.100 0.064 0.000 0.812 285 G HN 0.115 nan 8.290 nan 0.000 0.523 286 R N -0.263 120.271 120.500 0.057 0.000 2.531 286 R HA 0.196 4.535 4.340 -0.001 0.000 0.316 286 R C 0.190 176.519 176.300 0.049 0.000 0.955 286 R CA 0.090 56.210 56.100 0.033 0.000 1.120 286 R CB 0.543 30.853 30.300 0.016 0.000 1.361 286 R HN 0.346 nan 8.270 nan 0.000 0.534 287 V N -3.735 116.228 119.914 0.081 0.000 3.046 287 V HA 0.750 4.869 4.120 -0.001 0.000 0.316 287 V C 1.051 177.177 176.094 0.054 0.000 1.104 287 V CA -0.602 61.752 62.300 0.091 0.000 1.006 287 V CB 1.844 33.773 31.823 0.177 0.000 1.058 287 V HN -0.068 nan 8.190 nan 0.000 0.440 288 A N 1.037 123.887 122.820 0.050 0.000 1.975 288 A HA 0.794 5.114 4.320 -0.001 0.000 0.215 288 A C 1.157 178.750 177.584 0.015 0.000 1.170 288 A CA 1.221 53.273 52.037 0.025 0.000 0.656 288 A CB -0.350 18.664 19.000 0.023 0.000 0.821 288 A HN 2.232 nan 8.150 nan 0.000 0.449 289 A N -2.543 120.296 122.820 0.032 0.000 2.566 289 A HA 0.707 5.027 4.320 -0.001 0.000 0.290 289 A C -0.962 176.651 177.584 0.049 0.000 1.071 289 A CA 0.008 52.050 52.037 0.008 0.000 0.658 289 A CB 0.067 19.073 19.000 0.010 0.000 1.285 289 A HN 1.612 nan 8.150 nan 0.000 0.427 290 A N 0.315 123.149 122.820 0.022 0.000 2.374 290 A HA 0.749 5.069 4.320 -0.001 0.000 0.305 290 A C -1.050 176.597 177.584 0.104 0.000 1.053 290 A CA -0.282 51.849 52.037 0.157 0.000 0.726 290 A CB 0.666 19.680 19.000 0.024 0.000 1.229 290 A HN 0.811 nan 8.150 nan 0.000 0.431 291 I N 3.501 124.133 120.570 0.104 0.000 2.339 291 I HA 0.528 4.698 4.170 -0.001 0.000 0.290 291 I C -0.047 175.933 176.117 -0.229 0.000 0.994 291 I CA -0.283 60.972 61.300 -0.075 0.000 1.191 291 I CB 1.222 39.241 38.000 0.032 0.000 1.343 291 I HN 1.014 nan 8.210 nan 0.000 0.458 292 H N 3.400 122.251 119.070 -0.365 0.000 2.918 292 H HA 0.484 5.040 4.556 -0.001 0.000 0.303 292 H C -0.789 174.302 175.328 -0.394 0.000 1.380 292 H CA -1.055 54.624 56.048 -0.615 0.000 1.134 292 H CB 0.585 30.292 29.762 -0.091 0.000 1.842 292 H HN 0.497 nan 8.280 nan 0.000 0.533 293 H N -0.950 118.008 119.070 -0.186 0.000 2.534 293 H HA 0.209 4.765 4.556 -0.001 0.000 0.364 293 H C -0.514 174.923 175.328 0.182 0.000 1.328 293 H CA -0.534 55.584 56.048 0.115 0.000 1.415 293 H CB 0.296 30.198 29.762 0.233 0.000 1.573 293 H HN 0.696 nan 8.280 nan 0.000 0.601 294 D N 0.546 120.992 120.400 0.076 0.000 2.545 294 D HA 0.064 4.704 4.640 -0.001 0.000 0.227 294 D C -0.594 175.599 176.300 -0.179 0.000 1.150 294 D CA 0.265 54.263 54.000 -0.003 0.000 1.046 294 D CB -0.669 40.190 40.800 0.098 0.000 1.098 294 D HN 0.498 nan 8.370 nan 0.000 0.502 295 S N 1.052 116.505 115.700 -0.411 0.000 2.647 295 S HA 0.561 5.031 4.470 -0.001 0.000 0.300 295 S C 1.100 175.379 174.600 -0.536 0.000 1.129 295 S CA -0.276 57.626 58.200 -0.498 0.000 1.029 295 S CB 1.555 64.376 63.200 -0.633 0.000 1.007 295 S HN 0.239 nan 8.310 nan 0.000 0.484 296 A N 4.818 127.196 122.820 -0.736 0.000 1.917 296 A HA 0.043 4.363 4.320 -0.001 0.000 0.219 296 A C 2.084 179.532 177.584 -0.228 0.000 1.182 296 A CA 2.316 54.014 52.037 -0.565 0.000 0.633 296 A CB -1.635 17.169 19.000 -0.326 0.000 0.819 296 A HN 1.203 nan 8.150 nan 0.000 0.448 297 G N -1.274 107.415 108.800 -0.185 0.000 2.459 297 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.217 297 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.217 297 G C 1.601 176.439 174.900 -0.103 0.000 1.183 297 G CA 1.725 46.761 45.100 -0.105 0.000 0.776 297 G HN 0.447 nan 8.290 nan 0.000 0.552 298 T N 0.969 115.421 114.554 -0.171 0.000 2.777 298 T HA -0.079 4.270 4.350 -0.001 0.000 0.266 298 T C 2.674 177.200 174.700 -0.289 0.000 1.040 298 T CA 1.733 63.712 62.100 -0.200 0.000 1.141 298 T CB -0.535 68.115 68.868 -0.363 0.000 0.868 298 T HN 0.314 nan 8.240 nan 0.000 0.444 299 T N 2.637 117.026 114.554 -0.276 0.000 2.684 299 T HA -0.085 4.265 4.350 -0.001 0.000 0.267 299 T C 1.872 176.535 174.700 -0.060 0.000 1.036 299 T CA 0.953 62.992 62.100 -0.102 0.000 1.148 299 T CB -0.495 68.381 68.868 0.014 0.000 0.863 299 T HN 0.103 nan 8.240 nan 0.000 0.436 300 L N 0.944 122.142 121.223 -0.042 0.000 2.027 300 L HA 0.089 4.429 4.340 -0.001 0.000 0.206 300 L C 2.241 179.113 176.870 0.003 0.000 1.074 300 L CA 1.470 56.303 54.840 -0.011 0.000 0.745 300 L CB -0.866 41.188 42.059 -0.008 0.000 0.898 300 L HN 0.244 nan 8.230 nan 0.000 0.433 301 L N -0.557 120.691 121.223 0.042 0.000 2.043 301 L HA -0.275 4.064 4.340 -0.001 0.000 0.212 301 L C 2.651 179.621 176.870 0.165 0.000 1.075 301 L CA 1.489 56.422 54.840 0.154 0.000 0.752 301 L CB -1.066 41.141 42.059 0.246 0.000 0.891 301 L HN 0.426 nan 8.230 nan 0.000 0.432 302 A N -0.496 122.267 122.820 -0.095 0.000 1.902 302 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 302 A C 2.296 179.773 177.584 -0.177 0.000 1.181 302 A CA 1.677 53.448 52.037 -0.444 0.000 0.623 302 A CB -0.445 18.193 19.000 -0.604 0.000 0.818 302 A HN 0.335 nan 8.150 nan 0.000 0.443 303 M N -1.195 118.351 119.600 -0.090 0.000 2.159 303 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 303 M C 2.385 178.668 176.300 -0.029 0.000 1.063 303 M CA 1.376 56.647 55.300 -0.048 0.000 1.110 303 M CB -0.267 32.320 32.600 -0.023 0.000 1.374 303 M HN 0.372 nan 8.290 nan 0.000 0.411 304 R N -0.182 120.312 120.500 -0.010 0.000 2.092 304 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 304 R C 2.239 178.542 176.300 0.005 0.000 1.119 304 R CA 1.397 57.498 56.100 0.002 0.000 0.970 304 R CB -0.426 29.884 30.300 0.017 0.000 0.864 304 R HN 0.354 nan 8.270 nan 0.000 0.440 305 A N 0.257 123.084 122.820 0.011 0.000 2.015 305 A HA 0.054 4.373 4.320 -0.001 0.000 0.219 305 A C 1.482 179.057 177.584 -0.014 0.000 1.163 305 A CA 1.180 53.227 52.037 0.016 0.000 0.646 305 A CB -0.403 18.627 19.000 0.050 0.000 0.806 305 A HN 0.471 nan 8.150 nan 0.000 0.448 306 G N -0.434 108.345 108.800 -0.036 0.000 2.212 306 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.255 306 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.255 306 G C 0.021 174.894 174.900 -0.045 0.000 1.062 306 G CA 0.280 45.358 45.100 -0.035 0.000 0.815 306 G HN 1.388 nan 8.290 nan 0.000 0.497 307 I N -2.824 117.699 120.570 -0.078 0.000 2.603 307 I HA 0.761 4.931 4.170 -0.001 0.000 0.300 307 I C -2.409 173.657 176.117 -0.085 0.000 1.017 307 I CA -3.342 57.910 61.300 -0.080 0.000 1.098 307 I CB 2.036 39.969 38.000 -0.112 0.000 1.279 307 I HN -0.149 nan 8.210 nan 0.000 0.437 308 P HA 0.167 nan 4.420 nan 0.000 0.269 308 P C -1.480 175.783 177.300 -0.062 0.000 1.215 308 P CA -0.113 62.958 63.100 -0.048 0.000 0.780 308 P CB 0.524 32.206 31.700 -0.031 0.000 0.898 309 Q N 0.728 120.491 119.800 -0.061 0.000 2.379 309 Q HA 0.663 5.003 4.340 -0.001 0.000 0.278 309 Q C -1.430 174.499 176.000 -0.118 0.000 1.068 309 Q CA -0.834 54.919 55.803 -0.083 0.000 0.816 309 Q CB 1.646 30.357 28.738 -0.046 0.000 1.387 309 Q HN 0.249 nan 8.270 nan 0.000 0.413 310 I N 1.978 122.441 120.570 -0.177 0.000 2.362 310 I HA 0.422 4.591 4.170 -0.001 0.000 0.289 310 I C -0.889 175.036 176.117 -0.319 0.000 0.994 310 I CA -1.210 59.993 61.300 -0.162 0.000 1.158 310 I CB 1.948 39.905 38.000 -0.072 0.000 1.315 310 I HN 0.413 nan 8.210 nan 0.000 0.451 311 V N 7.117 126.887 119.914 -0.240 0.000 2.409 311 V HA 0.305 4.425 4.120 -0.001 0.000 0.291 311 V C 0.069 176.138 176.094 -0.042 0.000 1.020 311 V CA -0.790 61.363 62.300 -0.246 0.000 0.848 311 V CB 1.915 33.635 31.823 -0.172 0.000 0.990 311 V HN 0.372 nan 8.190 nan 0.000 0.430 312 V N 6.519 126.468 119.914 0.058 0.000 2.389 312 V HA 0.305 4.425 4.120 -0.001 0.000 0.264 312 V C 0.817 176.995 176.094 0.141 0.000 1.049 312 V CA -0.629 61.764 62.300 0.155 0.000 0.932 312 V CB 0.498 32.520 31.823 0.333 0.000 1.011 312 V HN 0.958 nan 8.190 nan 0.000 0.475 313 R N 3.405 123.962 120.500 0.096 0.000 2.594 313 R HA 0.646 4.985 4.340 -0.001 0.000 0.272 313 R C 0.320 176.681 176.300 0.102 0.000 1.074 313 R CA -0.633 55.524 56.100 0.094 0.000 1.105 313 R CB 0.147 30.488 30.300 0.068 0.000 1.008 313 R HN 0.594 nan 8.270 nan 0.000 0.472 314 R N 1.973 122.536 120.500 0.107 0.000 2.623 314 R HA 0.422 4.762 4.340 -0.001 0.000 0.271 314 R C 1.234 177.580 176.300 0.075 0.000 1.043 314 R CA 0.455 56.616 56.100 0.101 0.000 1.083 314 R CB -1.420 28.943 30.300 0.106 0.000 0.974 314 R HN 1.191 nan 8.270 nan 0.000 0.436 324 Y N 0.263 120.600 120.300 0.061 0.000 2.009 324 Y HA -0.268 4.281 4.550 -0.001 0.000 0.260 324 Y C 2.279 178.138 175.900 -0.069 0.000 1.118 324 Y CA 2.857 60.943 58.100 -0.024 0.000 1.087 324 Y CB -1.508 36.911 38.460 -0.068 0.000 0.970 324 Y HN 0.656 nan 8.280 nan 0.000 0.481 325 H N -0.188 118.892 119.070 0.016 0.000 2.352 325 H HA 0.051 4.607 4.556 -0.001 0.000 0.299 325 H C 2.566 177.896 175.328 0.004 0.000 1.097 325 H CA 1.721 57.774 56.048 0.008 0.000 1.311 325 H CB -0.813 28.953 29.762 0.007 0.000 1.377 325 H HN 0.679 nan 8.280 nan 0.000 0.504 326 A N 1.218 124.116 122.820 0.130 0.000 1.881 326 A HA -0.299 4.021 4.320 -0.001 0.000 0.219 326 A C 2.002 179.603 177.584 0.029 0.000 1.215 326 A CA 2.358 54.430 52.037 0.059 0.000 0.648 326 A CB -0.686 18.345 19.000 0.052 0.000 0.832 326 A HN 0.456 nan 8.150 nan 0.000 0.455 327 D N -1.499 118.913 120.400 0.020 0.000 2.219 327 D HA -0.106 4.534 4.640 -0.001 0.000 0.205 327 D C 2.086 178.382 176.300 -0.008 0.000 0.970 327 D CA 1.277 55.278 54.000 0.002 0.000 0.851 327 D CB -0.179 40.620 40.800 -0.002 0.000 0.943 327 D HN 0.347 nan 8.370 nan 0.000 0.488 328 R N 1.068 121.559 120.500 -0.015 0.000 2.115 328 R HA -0.073 4.267 4.340 -0.001 0.000 0.230 328 R C 2.063 178.359 176.300 -0.007 0.000 1.111 328 R CA 0.656 56.742 56.100 -0.024 0.000 0.976 328 R CB -0.674 29.597 30.300 -0.048 0.000 0.870 328 R HN -0.030 nan 8.270 nan 0.000 0.445 329 V N 0.409 120.327 119.914 0.007 0.000 2.343 329 V HA -0.194 3.926 4.120 -0.001 0.000 0.247 329 V C 2.239 178.328 176.094 -0.008 0.000 1.051 329 V CA 1.976 64.277 62.300 0.002 0.000 1.036 329 V CB -0.737 31.087 31.823 0.001 0.000 0.654 329 V HN 0.521 nan 8.190 nan 0.000 0.451 330 A N -0.882 121.933 122.820 -0.008 0.000 1.970 330 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 330 A C 2.154 179.732 177.584 -0.010 0.000 1.170 330 A CA 1.375 53.407 52.037 -0.009 0.000 0.645 330 A CB -0.382 18.614 19.000 -0.007 0.000 0.816 330 A HN 0.557 nan 8.150 nan 0.000 0.447 331 E N -0.109 120.085 120.200 -0.011 0.000 2.085 331 E HA -0.149 4.200 4.350 -0.001 0.000 0.194 331 E C 1.690 178.283 176.600 -0.012 0.000 0.994 331 E CA 1.251 57.643 56.400 -0.012 0.000 0.801 331 E CB -0.216 29.475 29.700 -0.016 0.000 0.743 331 E HN 0.621 nan 8.360 nan 0.000 0.453 332 L N -0.833 120.382 121.223 -0.012 0.000 2.478 332 L HA 0.059 4.398 4.340 -0.001 0.000 0.223 332 L C 1.374 178.237 176.870 -0.012 0.000 1.140 332 L CA 0.412 55.245 54.840 -0.012 0.000 0.842 332 L CB -0.163 41.889 42.059 -0.012 0.000 0.953 332 L HN 0.345 nan 8.230 nan 0.000 0.452 333 G N -0.106 108.687 108.800 -0.012 0.000 2.221 333 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.265 333 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.265 333 G C 0.575 175.466 174.900 -0.014 0.000 1.041 333 G CA 0.368 45.461 45.100 -0.012 0.000 0.807 333 G HN 0.205 nan 8.290 nan 0.000 0.502 334 V N -0.938 118.967 119.914 -0.016 0.000 3.661 334 V HA 0.593 4.713 4.120 -0.001 0.000 0.271 334 V C 1.584 177.663 176.094 -0.025 0.000 1.315 334 V CA 1.710 63.998 62.300 -0.020 0.000 1.072 334 V CB 0.544 32.355 31.823 -0.020 0.000 0.830 334 V HN 1.165 nan 8.190 nan 0.000 0.443 335 G N -0.789 107.996 108.800 -0.024 0.000 2.650 335 G HA2 0.570 4.530 3.960 -0.001 0.000 0.310 335 G HA3 0.570 4.530 3.960 -0.001 0.000 0.310 335 G C -1.932 172.951 174.900 -0.028 0.000 1.270 335 G CA -0.226 44.855 45.100 -0.032 0.000 0.810 335 G HN -0.115 nan 8.290 nan 0.000 0.493 336 V N -0.047 119.846 119.914 -0.035 0.000 2.760 336 V HA 0.695 4.815 4.120 -0.001 0.000 0.309 336 V C 0.000 176.077 176.094 -0.029 0.000 1.077 336 V CA -0.455 61.830 62.300 -0.025 0.000 0.910 336 V CB 1.694 33.506 31.823 -0.017 0.000 1.008 336 V HN 1.460 nan 8.190 nan 0.000 0.424 337 A N 4.070 126.882 122.820 -0.014 0.000 2.774 337 A HA 0.650 4.969 4.320 -0.001 0.000 0.326 337 A C -0.133 177.455 177.584 0.007 0.000 1.478 337 A CA -0.196 51.837 52.037 -0.006 0.000 1.099 337 A CB 0.360 19.363 19.000 0.005 0.000 1.148 337 A HN 0.728 nan 8.150 nan 0.000 0.519 338 V N 2.412 122.332 119.914 0.011 0.000 3.264 338 V HA 0.367 4.487 4.120 -0.001 0.000 0.304 338 V C 0.258 176.374 176.094 0.036 0.000 1.086 338 V CA 0.519 62.833 62.300 0.024 0.000 1.090 338 V CB 1.463 33.306 31.823 0.034 0.000 1.112 338 V HN 1.070 nan 8.190 nan 0.000 0.472 339 D N 0.870 121.292 120.400 0.036 0.000 2.798 339 D HA 0.607 5.247 4.640 -0.001 0.000 0.308 339 D C -0.125 176.198 176.300 0.039 0.000 1.187 339 D CA 0.247 54.273 54.000 0.043 0.000 1.033 339 D CB 1.135 41.955 40.800 0.034 0.000 1.445 339 D HN 1.431 nan 8.370 nan 0.000 0.550 340 G N -0.482 108.341 108.800 0.039 0.000 2.728 340 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.686 340 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.686 340 G C -2.045 172.873 174.900 0.029 0.000 1.337 340 G CA -0.279 44.838 45.100 0.029 0.000 0.861 340 G HN 0.501 nan 8.290 nan 0.000 0.597 341 P HA -0.061 nan 4.420 nan 0.000 0.214 341 P C 0.972 178.257 177.300 -0.024 0.000 1.169 341 P CA 1.623 64.727 63.100 0.007 0.000 0.908 341 P CB 0.149 31.849 31.700 0.000 0.000 0.791 342 V N 1.445 121.342 119.914 -0.030 0.000 2.284 342 V HA 0.257 4.377 4.120 -0.001 0.000 0.274 342 V C -1.938 174.139 176.094 -0.028 0.000 1.023 342 V CA -1.730 60.539 62.300 -0.053 0.000 0.808 342 V CB 0.843 32.630 31.823 -0.059 0.000 1.035 342 V HN 0.097 nan 8.190 nan 0.000 0.445 343 P HA 0.204 nan 4.420 nan 0.000 0.272 343 P C 0.133 177.429 177.300 -0.007 0.000 1.240 343 P CA 0.030 63.131 63.100 0.001 0.000 0.791 343 P CB 0.735 32.449 31.700 0.023 0.000 0.978 344 T N -1.859 112.695 114.554 -0.000 0.000 2.849 344 T HA 0.223 4.573 4.350 -0.001 0.000 0.284 344 T C 1.526 176.227 174.700 0.002 0.000 1.004 344 T CA -0.578 61.521 62.100 -0.002 0.000 1.021 344 T CB 0.061 68.929 68.868 -0.000 0.000 1.013 344 T HN 0.122 nan 8.240 nan 0.000 0.527 345 I N 0.905 121.475 120.570 -0.000 0.000 2.286 345 I HA -0.026 4.144 4.170 -0.001 0.000 0.248 345 I C 1.975 178.096 176.117 0.008 0.000 1.115 345 I CA 1.263 62.565 61.300 0.004 0.000 1.392 345 I CB -1.002 36.999 38.000 0.002 0.000 1.065 345 I HN 0.678 nan 8.210 nan 0.000 0.418 346 D N -0.298 120.105 120.400 0.006 0.000 2.117 346 D HA -0.150 4.490 4.640 -0.001 0.000 0.198 346 D C 2.356 178.662 176.300 0.009 0.000 0.982 346 D CA 1.411 55.415 54.000 0.007 0.000 0.828 346 D CB -0.183 40.619 40.800 0.005 0.000 0.967 346 D HN 0.165 nan 8.370 nan 0.000 0.464 347 S N -0.293 115.413 115.700 0.009 0.000 2.356 347 S HA -0.103 4.367 4.470 -0.001 0.000 0.223 347 S C 1.695 176.305 174.600 0.017 0.000 1.032 347 S CA 0.622 58.829 58.200 0.012 0.000 1.005 347 S CB -0.214 62.994 63.200 0.013 0.000 0.867 347 S HN 0.072 nan 8.310 nan 0.000 0.449 348 L N 1.106 122.342 121.223 0.022 0.000 2.217 348 L HA 0.146 4.486 4.340 -0.001 0.000 0.211 348 L C 2.508 179.393 176.870 0.025 0.000 1.107 348 L CA 1.359 56.218 54.840 0.031 0.000 0.783 348 L CB -0.968 41.116 42.059 0.042 0.000 0.919 348 L HN 0.285 nan 8.230 nan 0.000 0.442 349 S N -1.426 114.286 115.700 0.019 0.000 2.414 349 S HA -0.002 4.468 4.470 -0.001 0.000 0.227 349 S C 2.096 176.703 174.600 0.013 0.000 1.022 349 S CA 0.861 59.071 58.200 0.016 0.000 0.958 349 S CB 0.010 63.218 63.200 0.013 0.000 0.797 349 S HN 0.480 nan 8.310 nan 0.000 0.493 350 A N 1.026 123.853 122.820 0.011 0.000 1.968 350 A HA 0.353 4.672 4.320 -0.001 0.000 0.217 350 A C 2.318 179.906 177.584 0.007 0.000 1.169 350 A CA 1.455 53.497 52.037 0.008 0.000 0.638 350 A CB -1.018 17.986 19.000 0.006 0.000 0.812 350 A HN 0.606 nan 8.150 nan 0.000 0.446 351 A N -0.328 122.497 122.820 0.008 0.000 1.873 351 A HA -0.016 4.304 4.320 -0.001 0.000 0.215 351 A C 2.086 179.672 177.584 0.004 0.000 1.186 351 A CA 1.666 53.706 52.037 0.005 0.000 0.616 351 A CB -0.656 18.348 19.000 0.006 0.000 0.823 351 A HN 0.548 nan 8.150 nan 0.000 0.442 352 L N 0.267 121.496 121.223 0.010 0.000 2.042 352 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 352 L C 1.664 178.539 176.870 0.008 0.000 1.076 352 L CA 2.514 57.361 54.840 0.012 0.000 0.749 352 L CB -0.794 41.277 42.059 0.020 0.000 0.893 352 L HN 0.367 nan 8.230 nan 0.000 0.432 353 D N -1.593 118.811 120.400 0.008 0.000 2.182 353 D HA -0.161 4.479 4.640 -0.001 0.000 0.201 353 D C 2.055 178.356 176.300 0.002 0.000 0.986 353 D CA 1.572 55.575 54.000 0.005 0.000 0.847 353 D CB 0.019 40.822 40.800 0.005 0.000 0.942 353 D HN 0.360 nan 8.370 nan 0.000 0.467 354 T N -0.447 114.107 114.554 0.000 0.000 2.809 354 T HA -0.006 4.344 4.350 -0.001 0.000 0.260 354 T C 1.978 176.675 174.700 -0.005 0.000 1.039 354 T CA 1.127 63.226 62.100 -0.003 0.000 1.141 354 T CB -0.302 68.563 68.868 -0.004 0.000 0.869 354 T HN 0.156 nan 8.240 nan 0.000 0.437 355 A N 1.533 124.349 122.820 -0.006 0.000 1.892 355 A HA -0.024 4.296 4.320 -0.001 0.000 0.218 355 A C 2.080 179.660 177.584 -0.007 0.000 1.188 355 A CA 1.338 53.369 52.037 -0.010 0.000 0.631 355 A CB -0.920 18.073 19.000 -0.011 0.000 0.822 355 A HN 0.505 nan 8.150 nan 0.000 0.447 356 L N -0.272 120.950 121.223 -0.001 0.000 2.610 356 L HA 0.111 4.451 4.340 -0.001 0.000 0.232 356 L C 1.254 178.123 176.870 -0.002 0.000 1.149 356 L CA -0.105 54.736 54.840 0.000 0.000 0.872 356 L CB -0.613 41.449 42.059 0.005 0.000 0.992 356 L HN 0.390 nan 8.230 nan 0.000 0.447 357 A N 0.401 123.219 122.820 -0.003 0.000 2.450 357 A HA 0.268 4.587 4.320 -0.001 0.000 0.255 357 A C -1.420 176.161 177.584 -0.005 0.000 1.096 357 A CA -1.103 50.932 52.037 -0.004 0.000 0.778 357 A CB 0.201 19.198 19.000 -0.004 0.000 1.031 357 A HN -0.012 nan 8.150 nan 0.000 0.494 358 P HA -0.231 nan 4.420 nan 0.000 0.216 358 P C 0.980 178.275 177.300 -0.007 0.000 1.154 358 P CA 1.926 65.022 63.100 -0.006 0.000 0.865 358 P CB 0.136 31.832 31.700 -0.005 0.000 0.789 359 E N -1.087 119.109 120.200 -0.007 0.000 2.153 359 E HA -0.150 4.200 4.350 -0.001 0.000 0.194 359 E C 1.879 178.473 176.600 -0.009 0.000 0.988 359 E CA 0.828 57.223 56.400 -0.007 0.000 0.811 359 E CB -0.473 29.223 29.700 -0.006 0.000 0.746 359 E HN 0.222 nan 8.360 nan 0.000 0.466 360 I N 0.990 121.555 120.570 -0.010 0.000 2.286 360 I HA -0.156 4.014 4.170 -0.001 0.000 0.245 360 I C 2.223 178.332 176.117 -0.014 0.000 1.104 360 I CA 1.190 62.482 61.300 -0.012 0.000 1.397 360 I CB -0.776 37.216 38.000 -0.012 0.000 1.072 360 I HN 0.064 nan 8.210 nan 0.000 0.417 361 R N 1.053 121.545 120.500 -0.013 0.000 2.096 361 R HA -0.101 4.239 4.340 -0.001 0.000 0.235 361 R C 2.386 178.677 176.300 -0.014 0.000 1.127 361 R CA 1.525 57.616 56.100 -0.014 0.000 0.968 361 R CB -0.467 29.826 30.300 -0.012 0.000 0.861 361 R HN 0.342 nan 8.270 nan 0.000 0.440 362 A N 1.157 123.970 122.820 -0.012 0.000 1.930 362 A HA -0.144 4.175 4.320 -0.001 0.000 0.217 362 A C 2.063 179.640 177.584 -0.012 0.000 1.175 362 A CA 1.178 53.209 52.037 -0.011 0.000 0.627 362 A CB -0.280 18.715 19.000 -0.009 0.000 0.815 362 A HN 0.199 nan 8.150 nan 0.000 0.443 363 R N -0.594 119.899 120.500 -0.013 0.000 2.090 363 R HA 0.008 4.348 4.340 -0.001 0.000 0.228 363 R C 2.450 178.740 176.300 -0.016 0.000 1.110 363 R CA 1.088 57.180 56.100 -0.013 0.000 0.973 363 R CB -0.400 29.892 30.300 -0.013 0.000 0.869 363 R HN 0.493 nan 8.270 nan 0.000 0.440 364 A N 0.255 123.063 122.820 -0.019 0.000 1.933 364 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 364 A C 2.079 179.650 177.584 -0.022 0.000 1.175 364 A CA 1.788 53.811 52.037 -0.024 0.000 0.628 364 A CB -0.649 18.332 19.000 -0.031 0.000 0.814 364 A HN 0.243 nan 8.150 nan 0.000 0.444 365 T N -0.591 113.952 114.554 -0.018 0.000 2.737 365 T HA -0.103 4.247 4.350 -0.001 0.000 0.265 365 T C 2.064 176.755 174.700 -0.013 0.000 1.038 365 T CA 1.885 63.976 62.100 -0.015 0.000 1.144 365 T CB -0.482 68.378 68.868 -0.013 0.000 0.866 365 T HN 0.518 nan 8.240 nan 0.000 0.434 366 T N 1.844 116.390 114.554 -0.013 0.000 2.684 366 T HA -0.100 4.250 4.350 -0.001 0.000 0.267 366 T C 2.128 176.820 174.700 -0.012 0.000 1.036 366 T CA 1.022 63.115 62.100 -0.012 0.000 1.148 366 T CB -0.568 68.294 68.868 -0.011 0.000 0.863 366 T HN 0.092 nan 8.240 nan 0.000 0.436 367 V N 1.619 121.524 119.914 -0.014 0.000 2.255 367 V HA -0.232 3.887 4.120 -0.001 0.000 0.247 367 V C 2.851 178.936 176.094 -0.014 0.000 1.051 367 V CA 1.912 64.203 62.300 -0.015 0.000 1.018 367 V CB -1.209 30.605 31.823 -0.016 0.000 0.641 367 V HN 0.557 nan 8.190 nan 0.000 0.445 368 A N -0.351 122.460 122.820 -0.015 0.000 1.986 368 A HA -0.295 4.025 4.320 -0.001 0.000 0.220 368 A C 1.849 179.427 177.584 -0.011 0.000 1.171 368 A CA 2.151 54.180 52.037 -0.014 0.000 0.640 368 A CB -0.696 18.296 19.000 -0.014 0.000 0.811 368 A HN 0.575 nan 8.150 nan 0.000 0.451 369 D N -0.884 119.510 120.400 -0.011 0.000 2.378 369 D HA -0.062 4.578 4.640 -0.001 0.000 0.222 369 D C 1.795 178.088 176.300 -0.011 0.000 0.980 369 D CA 1.611 55.605 54.000 -0.010 0.000 0.907 369 D CB -0.164 40.630 40.800 -0.010 0.000 0.899 369 D HN 0.679 nan 8.370 nan 0.000 0.527 370 T N -2.810 111.737 114.554 -0.012 0.000 3.054 370 T HA 0.245 4.595 4.350 -0.001 0.000 0.255 370 T C 0.818 175.510 174.700 -0.014 0.000 1.035 370 T CA -0.343 61.749 62.100 -0.013 0.000 0.941 370 T CB 0.177 69.037 68.868 -0.013 0.000 1.026 370 T HN -0.074 nan 8.240 nan 0.000 0.533 371 I N 2.667 123.229 120.570 -0.012 0.000 2.396 371 I HA 0.401 4.571 4.170 -0.001 0.000 0.292 371 I C 0.497 176.607 176.117 -0.012 0.000 0.999 371 I CA -1.136 60.157 61.300 -0.012 0.000 1.310 371 I CB 0.955 38.949 38.000 -0.010 0.000 1.404 371 I HN -0.045 nan 8.210 nan 0.000 0.496 372 R N 4.238 124.730 120.500 -0.013 0.000 2.582 372 R HA 0.479 4.818 4.340 -0.001 0.000 0.271 372 R C 0.131 176.427 176.300 -0.007 0.000 1.078 372 R CA -0.214 55.878 56.100 -0.013 0.000 1.127 372 R CB 1.108 31.398 30.300 -0.017 0.000 1.038 372 R HN 0.780 nan 8.270 nan 0.000 0.500 373 A N 1.206 124.022 122.820 -0.006 0.000 2.592 373 A HA 0.100 4.420 4.320 -0.001 0.000 0.290 373 A C -0.259 177.322 177.584 -0.004 0.000 0.998 373 A CA -0.316 51.720 52.037 -0.001 0.000 0.983 373 A CB 0.132 19.129 19.000 -0.005 0.000 1.240 373 A HN 0.627 nan 8.150 nan 0.000 0.535 374 D N -1.487 118.909 120.400 -0.007 0.000 2.623 374 D HA 0.205 4.844 4.640 -0.001 0.000 0.252 374 D C 1.208 177.501 176.300 -0.012 0.000 1.294 374 D CA 0.463 54.450 54.000 -0.021 0.000 0.824 374 D CB -0.510 40.270 40.800 -0.033 0.000 1.070 374 D HN 0.087 nan 8.370 nan 0.000 0.487 375 G N 1.478 110.308 108.800 0.050 0.000 2.491 375 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.218 375 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.218 375 G C 1.628 176.579 174.900 0.085 0.000 1.180 375 G CA 2.130 47.325 45.100 0.158 0.000 0.774 375 G HN 0.442 nan 8.290 nan 0.000 0.562 376 T N -1.639 112.870 114.554 -0.076 0.000 2.803 376 T HA -0.139 4.211 4.350 -0.001 0.000 0.269 376 T C 2.264 176.760 174.700 -0.340 0.000 1.052 376 T CA 2.262 64.094 62.100 -0.446 0.000 1.136 376 T CB -0.774 67.881 68.868 -0.354 0.000 0.864 376 T HN 0.204 nan 8.240 nan 0.000 0.467 377 T N 1.410 115.841 114.554 -0.205 0.000 2.812 377 T HA 0.047 4.397 4.350 -0.001 0.000 0.264 377 T C 2.138 176.716 174.700 -0.203 0.000 1.042 377 T CA 1.002 62.983 62.100 -0.199 0.000 1.140 377 T CB -0.468 68.323 68.868 -0.128 0.000 0.870 377 T HN 0.258 nan 8.240 nan 0.000 0.445 378 V N 1.790 121.611 119.914 -0.155 0.000 2.407 378 V HA -0.155 3.965 4.120 -0.001 0.000 0.248 378 V C 2.856 178.817 176.094 -0.221 0.000 1.055 378 V CA 1.633 63.841 62.300 -0.153 0.000 1.049 378 V CB -1.164 30.590 31.823 -0.115 0.000 0.662 378 V HN 0.510 nan 8.190 nan 0.000 0.455 379 A N 0.171 122.844 122.820 -0.245 0.000 1.865 379 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 379 A C 2.478 179.909 177.584 -0.254 0.000 1.191 379 A CA 2.280 54.124 52.037 -0.321 0.000 0.623 379 A CB -0.975 17.781 19.000 -0.406 0.000 0.826 379 A HN 0.572 nan 8.150 nan 0.000 0.444 380 A N -0.599 122.008 122.820 -0.355 0.000 1.873 380 A HA -0.310 4.010 4.320 -0.001 0.000 0.218 380 A C 2.257 179.499 177.584 -0.570 0.000 1.193 380 A CA 2.163 53.891 52.037 -0.516 0.000 0.629 380 A CB -0.817 17.821 19.000 -0.603 0.000 0.826 380 A HN 0.709 nan 8.150 nan 0.000 0.447 381 Q N -0.501 119.073 119.800 -0.377 0.000 2.181 381 Q HA -0.159 4.180 4.340 -0.001 0.000 0.205 381 Q C 1.924 177.902 176.000 -0.038 0.000 0.980 381 Q CA 1.601 57.289 55.803 -0.193 0.000 0.862 381 Q CB -0.249 28.426 28.738 -0.105 0.000 0.905 381 Q HN 0.701 nan 8.270 nan 0.000 0.429 382 L N 0.045 121.251 121.223 -0.028 0.000 2.072 382 L HA -0.149 4.190 4.340 -0.001 0.000 0.205 382 L C 2.415 179.446 176.870 0.268 0.000 1.079 382 L CA 0.609 55.531 54.840 0.136 0.000 0.752 382 L CB -0.270 41.858 42.059 0.116 0.000 0.906 382 L HN 0.289 nan 8.230 nan 0.000 0.436 383 L N -1.122 120.254 121.223 0.254 0.000 2.017 383 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 383 L C 2.570 179.620 176.870 0.300 0.000 1.073 383 L CA 1.596 56.578 54.840 0.237 0.000 0.745 383 L CB -0.524 41.620 42.059 0.143 0.000 0.894 383 L HN 0.189 nan 8.230 nan 0.000 0.432 384 F N 0.451 120.438 119.950 0.061 0.000 2.091 384 F HA -0.312 4.215 4.527 -0.001 0.000 0.299 384 F C 2.357 178.182 175.800 0.041 0.000 1.103 384 F CA 0.869 58.890 58.000 0.035 0.000 1.228 384 F CB -0.284 38.727 39.000 0.019 0.000 0.984 384 F HN 0.219 nan 8.300 nan 0.000 0.477 385 D N 0.383 120.942 120.400 0.265 0.000 2.178 385 D HA -0.129 4.511 4.640 -0.001 0.000 0.201 385 D C 2.109 178.489 176.300 0.134 0.000 0.980 385 D CA 1.098 55.195 54.000 0.162 0.000 0.842 385 D CB -0.462 40.419 40.800 0.134 0.000 0.948 385 D HN 0.221 nan 8.370 nan 0.000 0.472 386 A N 0.452 123.365 122.820 0.154 0.000 1.845 386 A HA -0.165 4.154 4.320 -0.001 0.000 0.215 386 A C 2.488 180.124 177.584 0.086 0.000 1.195 386 A CA 1.549 53.655 52.037 0.115 0.000 0.616 386 A CB -0.922 18.144 19.000 0.111 0.000 0.832 386 A HN 0.137 nan 8.150 nan 0.000 0.443 387 V N -0.083 119.888 119.914 0.094 0.000 2.332 387 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 387 V C 2.666 178.785 176.094 0.041 0.000 1.055 387 V CA 2.315 64.651 62.300 0.060 0.000 1.038 387 V CB -0.895 30.961 31.823 0.056 0.000 0.651 387 V HN 0.641 nan 8.190 nan 0.000 0.450 388 S N -1.582 114.146 115.700 0.046 0.000 2.595 388 S HA 0.044 4.513 4.470 -0.001 0.000 0.235 388 S C 1.365 175.985 174.600 0.033 0.000 0.974 388 S CA 0.936 59.153 58.200 0.029 0.000 0.942 388 S CB -0.131 63.088 63.200 0.032 0.000 0.766 388 S HN 0.553 nan 8.310 nan 0.000 0.536 389 L N -0.922 120.326 121.223 0.042 0.000 3.284 389 L HA 0.377 4.717 4.340 -0.001 0.000 0.294 389 L C 1.614 178.506 176.870 0.037 0.000 1.183 389 L CA 0.194 55.058 54.840 0.039 0.000 1.056 389 L CB 0.277 42.364 42.059 0.047 0.000 1.513 389 L HN 0.183 nan 8.230 nan 0.000 0.601 390 E N 0.574 120.797 120.200 0.038 0.000 2.399 390 E HA 0.114 4.463 4.350 -0.001 0.000 0.205 390 E C 0.870 177.488 176.600 0.029 0.000 0.906 390 E CA 0.163 56.584 56.400 0.035 0.000 0.998 390 E CB 0.712 30.436 29.700 0.039 0.000 1.002 390 E HN 0.263 nan 8.360 nan 0.000 0.501 391 K N 0.000 120.416 120.400 0.027 0.000 2.780 391 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 391 K CA 0.000 56.300 56.287 0.021 0.000 0.838 391 K CB 0.000 32.511 32.500 0.019 0.000 1.064 391 K HN 0.000 nan 8.250 nan 0.000 0.543