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 1dp4_1_A DATA FIRST_RESID 1 DATA SEQUENCE SDLTVAVVLP LTNTSYPWSW ARVGPAVELA LARVKARPDL LPGWTVRMVL DATA SEQUENCE GSSENAAGVc SDTAAPLAAV DLKWEHSPAV FLGPGcVYSA APVGRFTAHW DATA SEQUENCE RVPLLTAGAP ALGIGVKDEY ALTTRTGPSH VKLGDFVTAL HRRLGWEHQA DATA SEQUENCE LVLYADRLGD DRPcFFIVEG LYMRVRERLN ITVNHQEFVE GDPDHYPKLL DATA SEQUENCE RAVRRKGRVI YIcSSPDAFR NLMLLALNAG LTGEDYVFFH LDVFGQSLKS DATA SEQUENCE AQGLVPQKPW ERGDGQDRSA RQAFQAAKII TYKEPDNPEY LEFLKQLKLL DATA SEQUENCE ADKKFNFTVE DGLKNIIPAS FHDGLLLYVQ AVTETLAQGG TVTDGENITQ DATA SEQUENCE RMWNRSFQGV TGYLKIDRNG DRDTDFSLWD MDPETGAFRV VLNYNGTSQE DATA SEQUENCE LMAVSEHKLY WPLGYPPPDV PKCGF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.500 174.600 -0.166 0.000 1.055 1 S CA 0.000 57.902 58.200 -0.497 0.000 1.107 1 S CB 0.000 62.471 63.200 -1.215 0.000 0.593 2 D N 1.598 122.020 120.400 0.038 0.000 2.217 2 D HA 0.370 5.010 4.640 -0.000 0.000 0.243 2 D C -0.866 175.674 176.300 0.399 0.000 1.054 2 D CA -0.317 53.803 54.000 0.200 0.000 0.838 2 D CB 2.027 42.882 40.800 0.093 0.000 1.162 2 D HN 0.360 nan 8.370 nan 0.000 0.472 3 L N 2.241 123.672 121.223 0.346 0.000 2.283 3 L HA 0.237 4.577 4.340 -0.000 0.000 0.281 3 L C -0.415 176.521 176.870 0.109 0.000 1.033 3 L CA -0.237 54.730 54.840 0.212 0.000 0.848 3 L CB 0.657 42.796 42.059 0.134 0.000 1.226 3 L HN 0.184 nan 8.230 nan 0.000 0.429 4 T N 3.777 118.365 114.554 0.057 0.000 2.817 4 T HA 0.334 4.684 4.350 -0.000 0.000 0.293 4 T C -0.144 174.507 174.700 -0.083 0.000 0.964 4 T CA -0.233 61.855 62.100 -0.020 0.000 1.085 4 T CB 1.438 70.282 68.868 -0.040 0.000 0.921 4 T HN 0.276 nan 8.240 nan 0.000 0.502 5 V N 3.058 122.909 119.914 -0.106 0.000 2.384 5 V HA 0.637 4.757 4.120 -0.000 0.000 0.287 5 V C 0.253 176.204 176.094 -0.239 0.000 1.020 5 V CA -1.040 61.163 62.300 -0.160 0.000 0.850 5 V CB 1.267 33.044 31.823 -0.076 0.000 0.987 5 V HN 1.050 nan 8.190 nan 0.000 0.436 6 A N 5.443 128.016 122.820 -0.412 0.000 2.252 6 A HA 0.735 5.054 4.320 -0.000 0.000 0.309 6 A C -0.437 176.985 177.584 -0.270 0.000 1.285 6 A CA -0.384 51.373 52.037 -0.466 0.000 0.900 6 A CB 0.758 19.185 19.000 -0.954 0.000 1.157 6 A HN 0.639 nan 8.150 nan 0.000 0.536 7 V N 3.316 123.118 119.914 -0.185 0.000 2.439 7 V HA 0.408 4.528 4.120 -0.000 0.000 0.282 7 V C -0.245 175.802 176.094 -0.079 0.000 1.039 7 V CA -0.297 61.920 62.300 -0.138 0.000 0.913 7 V CB 1.559 33.158 31.823 -0.373 0.000 0.983 7 V HN 0.588 nan 8.190 nan 0.000 0.460 8 V N 7.154 127.085 119.914 0.029 0.000 2.385 8 V HA 0.547 4.667 4.120 -0.000 0.000 0.277 8 V C -0.340 175.763 176.094 0.016 0.000 1.012 8 V CA -0.091 62.234 62.300 0.041 0.000 0.832 8 V CB 1.010 32.915 31.823 0.138 0.000 1.028 8 V HN 0.672 nan 8.190 nan 0.000 0.436 9 L N 4.444 125.650 121.223 -0.029 0.000 2.502 9 L HA 0.607 4.947 4.340 -0.000 0.000 0.253 9 L C -2.784 174.108 176.870 0.036 0.000 1.070 9 L CA -2.179 52.682 54.840 0.036 0.000 0.871 9 L CB 3.602 45.699 42.059 0.064 0.000 1.487 9 L HN 0.253 nan 8.230 nan 0.000 0.408 10 P HA 0.204 nan 4.420 nan 0.000 0.273 10 P C 0.360 177.730 177.300 0.115 0.000 1.319 10 P CA 0.023 63.176 63.100 0.088 0.000 0.885 10 P CB 0.291 32.056 31.700 0.107 0.000 1.015 11 L N 2.089 123.349 121.223 0.062 0.000 2.418 11 L HA -0.021 4.319 4.340 -0.000 0.000 0.218 11 L C 1.776 178.720 176.870 0.124 0.000 1.125 11 L CA 1.413 56.296 54.840 0.072 0.000 0.835 11 L CB -0.675 41.349 42.059 -0.059 0.000 0.953 11 L HN 0.383 nan 8.230 nan 0.000 0.454 12 T N -5.750 108.862 114.554 0.098 0.000 2.989 12 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 12 T C 0.956 175.699 174.700 0.073 0.000 0.981 12 T CA -0.325 61.827 62.100 0.087 0.000 0.980 12 T CB -0.053 68.858 68.868 0.071 0.000 1.133 12 T HN -0.002 nan 8.240 nan 0.000 0.489 13 N N 3.004 121.763 118.700 0.098 0.000 2.442 13 N HA 0.104 4.844 4.740 -0.000 0.000 0.265 13 N C 0.848 176.372 175.510 0.023 0.000 1.138 13 N CA 0.630 53.732 53.050 0.087 0.000 0.956 13 N CB 1.613 40.223 38.487 0.205 0.000 1.067 13 N HN 0.547 nan 8.380 nan 0.000 0.474 14 T N -1.054 113.442 114.554 -0.096 0.000 3.122 14 T HA -0.016 4.334 4.350 -0.000 0.000 0.250 14 T C 1.510 176.037 174.700 -0.287 0.000 1.067 14 T CA 0.222 62.134 62.100 -0.313 0.000 0.966 14 T CB -0.227 68.339 68.868 -0.504 0.000 1.002 14 T HN 0.396 nan 8.240 nan 0.000 0.542 15 S N -0.275 115.273 115.700 -0.254 0.000 2.562 15 S HA 0.172 4.642 4.470 -0.000 0.000 0.221 15 S C 0.043 174.332 174.600 -0.518 0.000 0.975 15 S CA -0.595 57.393 58.200 -0.352 0.000 0.918 15 S CB -0.758 62.195 63.200 -0.411 0.000 0.772 15 S HN 0.604 nan 8.310 nan 0.000 0.531 16 Y N 1.346 121.400 120.300 -0.409 0.000 2.376 16 Y HA 0.438 4.988 4.550 -0.000 0.000 0.325 16 Y C -1.688 173.745 175.900 -0.779 0.000 1.199 16 Y CA -2.532 55.096 58.100 -0.786 0.000 1.206 16 Y CB 0.530 38.284 38.460 -1.177 0.000 1.229 16 Y HN -0.040 nan 8.280 nan 0.000 0.480 17 P HA -0.153 nan 4.420 nan 0.000 0.220 17 P C 0.136 177.396 177.300 -0.066 0.000 1.148 17 P CA 1.616 64.503 63.100 -0.355 0.000 0.803 17 P CB -0.024 31.477 31.700 -0.332 0.000 0.782 18 W N -2.532 118.853 121.300 0.142 0.000 3.102 18 W HA 0.512 5.172 4.660 -0.000 0.000 0.401 18 W C -0.180 176.340 176.519 0.003 0.000 1.070 18 W CA -0.518 56.888 57.345 0.101 0.000 1.921 18 W CB -1.264 28.330 29.460 0.223 0.000 1.118 18 W HN -0.358 nan 8.180 nan 0.000 0.647 19 S N 1.390 117.035 115.700 -0.092 0.000 2.573 19 S HA -0.139 4.331 4.470 -0.000 0.000 0.277 19 S C 0.962 175.563 174.600 0.001 0.000 1.346 19 S CA -0.346 57.843 58.200 -0.018 0.000 1.034 19 S CB 0.576 63.694 63.200 -0.136 0.000 0.879 19 S HN 0.509 nan 8.310 nan 0.000 0.528 20 W N 2.239 123.452 121.300 -0.146 0.000 2.392 20 W HA -0.165 4.495 4.660 -0.000 0.000 0.279 20 W C 1.949 178.293 176.519 -0.291 0.000 1.225 20 W CA 0.954 58.195 57.345 -0.173 0.000 1.233 20 W CB -0.266 29.163 29.460 -0.051 0.000 1.122 20 W HN 0.879 nan 8.180 nan 0.000 0.561 21 A N 1.089 123.753 122.820 -0.260 0.000 2.076 21 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 21 A C 1.909 179.154 177.584 -0.565 0.000 1.160 21 A CA 1.835 53.607 52.037 -0.441 0.000 0.653 21 A CB -0.483 18.110 19.000 -0.680 0.000 0.801 21 A HN 0.432 nan 8.150 nan 0.000 0.455 22 R N -1.838 118.375 120.500 -0.479 0.000 2.142 22 R HA 0.167 4.507 4.340 -0.000 0.000 0.204 22 R C 1.830 177.904 176.300 -0.376 0.000 1.059 22 R CA 0.874 56.785 56.100 -0.315 0.000 1.055 22 R CB -0.279 29.936 30.300 -0.142 0.000 0.976 22 R HN 0.261 nan 8.270 nan 0.000 0.483 23 V N 0.846 120.518 119.914 -0.404 0.000 2.453 23 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 23 V C 2.277 177.884 176.094 -0.812 0.000 1.048 23 V CA 2.085 64.132 62.300 -0.421 0.000 1.049 23 V CB -0.766 30.815 31.823 -0.403 0.000 0.672 23 V HN 0.549 nan 8.190 nan 0.000 0.457 24 G N 0.947 108.766 108.800 -1.636 0.000 2.446 24 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 24 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 24 G C -0.244 173.907 174.900 -1.248 0.000 1.168 24 G CA 1.141 44.798 45.100 -2.404 0.000 0.771 24 G HN 0.509 nan 8.290 nan 0.000 0.551 25 P HA 0.016 nan 4.420 nan 0.000 0.217 25 P C 2.191 179.337 177.300 -0.256 0.000 1.150 25 P CA 1.825 64.576 63.100 -0.582 0.000 0.832 25 P CB -0.133 31.247 31.700 -0.534 0.000 0.787 26 A N -0.519 122.175 122.820 -0.211 0.000 1.902 26 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 26 A C 2.349 180.059 177.584 0.210 0.000 1.181 26 A CA 1.816 53.950 52.037 0.162 0.000 0.623 26 A CB -1.734 17.455 19.000 0.316 0.000 0.818 26 A HN 0.036 nan 8.150 nan 0.000 0.443 27 V N -0.059 119.860 119.914 0.008 0.000 2.358 27 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 27 V C 2.516 178.654 176.094 0.073 0.000 1.047 27 V CA 2.270 64.604 62.300 0.056 0.000 1.035 27 V CB -0.627 31.220 31.823 0.039 0.000 0.658 27 V HN 0.797 nan 8.190 nan 0.000 0.452 28 E N -0.017 120.205 120.200 0.036 0.000 2.110 28 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 28 E C 2.204 178.867 176.600 0.105 0.000 0.988 28 E CA 1.271 57.723 56.400 0.087 0.000 0.804 28 E CB -0.114 29.651 29.700 0.108 0.000 0.745 28 E HN 0.574 nan 8.360 nan 0.000 0.458 29 L N 0.189 121.497 121.223 0.141 0.000 2.093 29 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 29 L C 2.613 179.616 176.870 0.221 0.000 1.085 29 L CA 0.987 55.953 54.840 0.209 0.000 0.755 29 L CB -0.369 41.865 42.059 0.293 0.000 0.904 29 L HN 0.216 nan 8.230 nan 0.000 0.435 30 A N -0.145 122.759 122.820 0.141 0.000 1.969 30 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 30 A C 2.194 179.774 177.584 -0.007 0.000 1.169 30 A CA 1.132 53.086 52.037 -0.140 0.000 0.635 30 A CB -0.506 18.305 19.000 -0.314 0.000 0.810 30 A HN 0.366 nan 8.150 nan 0.000 0.445 31 L N -1.064 120.189 121.223 0.051 0.000 2.313 31 L HA -0.082 4.258 4.340 -0.000 0.000 0.214 31 L C 2.938 179.848 176.870 0.068 0.000 1.119 31 L CA 0.743 55.622 54.840 0.065 0.000 0.809 31 L CB -0.450 41.658 42.059 0.082 0.000 0.933 31 L HN 0.445 nan 8.230 nan 0.000 0.449 32 A N 0.364 123.230 122.820 0.077 0.000 1.929 32 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 32 A C 2.380 180.007 177.584 0.072 0.000 1.176 32 A CA 1.349 53.429 52.037 0.073 0.000 0.628 32 A CB -0.389 18.658 19.000 0.078 0.000 0.816 32 A HN 0.294 nan 8.150 nan 0.000 0.444 33 R N -0.396 120.153 120.500 0.082 0.000 2.081 33 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 33 R C 1.811 178.149 176.300 0.064 0.000 1.131 33 R CA 1.769 57.917 56.100 0.080 0.000 0.960 33 R CB -0.473 29.884 30.300 0.096 0.000 0.856 33 R HN 0.259 nan 8.270 nan 0.000 0.436 34 V N 1.009 120.958 119.914 0.057 0.000 2.358 34 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 34 V C 2.241 178.369 176.094 0.056 0.000 1.047 34 V CA 2.002 64.336 62.300 0.056 0.000 1.035 34 V CB -0.484 31.374 31.823 0.057 0.000 0.658 34 V HN 0.305 nan 8.190 nan 0.000 0.452 35 K N 1.489 121.923 120.400 0.057 0.000 2.063 35 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 35 K C 1.761 178.388 176.600 0.046 0.000 1.048 35 K CA 1.783 58.101 56.287 0.052 0.000 0.928 35 K CB -0.609 31.921 32.500 0.050 0.000 0.713 35 K HN 0.421 nan 8.250 nan 0.000 0.442 36 A N 0.308 123.156 122.820 0.048 0.000 2.261 36 A HA 0.079 4.399 4.320 -0.000 0.000 0.208 36 A C 0.018 177.626 177.584 0.041 0.000 1.223 36 A CA 0.156 52.219 52.037 0.043 0.000 0.833 36 A CB -0.067 18.960 19.000 0.046 0.000 0.830 36 A HN 0.078 nan 8.150 nan 0.000 0.483 37 R N -0.488 120.038 120.500 0.044 0.000 2.494 37 R HA 0.243 4.583 4.340 -0.000 0.000 0.284 37 R C -2.604 173.720 176.300 0.041 0.000 1.525 37 R CA -1.666 54.459 56.100 0.042 0.000 1.460 37 R CB 0.636 30.964 30.300 0.047 0.000 1.134 37 R HN 0.084 nan 8.270 nan 0.000 0.592 38 P HA -0.166 nan 4.420 nan 0.000 0.221 38 P C 0.786 178.107 177.300 0.036 0.000 1.145 38 P CA 1.144 64.265 63.100 0.035 0.000 0.795 38 P CB 0.303 32.020 31.700 0.028 0.000 0.775 39 D N -1.202 119.218 120.400 0.034 0.000 2.312 39 D HA -0.078 4.562 4.640 -0.000 0.000 0.211 39 D C 0.589 176.909 176.300 0.035 0.000 0.964 39 D CA 0.507 54.526 54.000 0.032 0.000 0.877 39 D CB -0.308 40.509 40.800 0.028 0.000 0.924 39 D HN 0.217 nan 8.370 nan 0.000 0.515 40 L N 0.849 122.095 121.223 0.039 0.000 2.334 40 L HA 0.244 4.584 4.340 -0.000 0.000 0.277 40 L C 0.869 177.769 176.870 0.050 0.000 1.075 40 L CA -0.796 54.065 54.840 0.035 0.000 0.804 40 L CB 1.563 43.644 42.059 0.037 0.000 1.174 40 L HN -0.073 nan 8.230 nan 0.000 0.438 41 L N 1.704 122.950 121.223 0.037 0.000 3.762 41 L HA -0.175 4.165 4.340 -0.000 0.000 0.460 41 L C -2.135 174.842 176.870 0.178 0.000 1.255 41 L CA -0.653 54.239 54.840 0.087 0.000 0.783 41 L CB -1.602 40.517 42.059 0.100 0.000 1.600 41 L HN 0.515 nan 8.230 nan 0.000 0.862 42 P HA 0.094 nan 4.420 nan 0.000 0.258 42 P C 1.149 178.562 177.300 0.187 0.000 1.187 42 P CA 1.669 64.848 63.100 0.131 0.000 0.767 42 P CB 0.776 32.531 31.700 0.091 0.000 0.770 43 G N 0.948 109.800 108.800 0.087 0.000 2.176 43 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.253 43 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.253 43 G C -0.615 174.156 174.900 -0.215 0.000 0.979 43 G CA -0.625 44.437 45.100 -0.064 0.000 0.641 43 G HN 0.409 nan 8.290 nan 0.000 0.530 44 W N -0.403 120.893 121.300 -0.006 0.000 2.844 44 W HA 0.692 5.352 4.660 -0.000 0.000 0.340 44 W C -0.104 176.417 176.519 0.004 0.000 1.093 44 W CA -0.596 56.747 57.345 -0.003 0.000 1.212 44 W CB 1.963 31.419 29.460 -0.007 0.000 1.422 44 W HN 0.090 nan 8.180 nan 0.000 0.515 45 T N 2.021 116.726 114.554 0.251 0.000 2.840 45 T HA 0.357 4.707 4.350 -0.000 0.000 0.287 45 T C -0.726 174.070 174.700 0.160 0.000 0.991 45 T CA -0.636 61.557 62.100 0.156 0.000 0.964 45 T CB 1.141 70.058 68.868 0.082 0.000 0.954 45 T HN 0.106 nan 8.240 nan 0.000 0.438 46 V N 5.558 125.552 119.914 0.133 0.000 2.479 46 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 46 V C 0.729 176.873 176.094 0.083 0.000 1.031 46 V CA -0.113 62.256 62.300 0.115 0.000 1.038 46 V CB -0.224 31.665 31.823 0.110 0.000 0.981 46 V HN 0.780 nan 8.190 nan 0.000 0.478 47 R N 5.576 126.113 120.500 0.061 0.000 2.670 47 R HA 0.769 5.109 4.340 -0.000 0.000 0.289 47 R C -1.220 175.075 176.300 -0.008 0.000 0.965 47 R CA -0.925 55.191 56.100 0.027 0.000 0.899 47 R CB 1.786 32.092 30.300 0.010 0.000 1.173 47 R HN 0.461 nan 8.270 nan 0.000 0.456 48 M N 3.329 122.922 119.600 -0.012 0.000 2.364 48 M HA 0.344 4.824 4.480 -0.000 0.000 0.334 48 M C -0.355 175.861 176.300 -0.139 0.000 1.107 48 M CA -1.088 54.185 55.300 -0.045 0.000 0.988 48 M CB 1.667 34.302 32.600 0.058 0.000 1.673 48 M HN 0.649 nan 8.290 nan 0.000 0.441 49 V N 2.049 121.824 119.914 -0.231 0.000 2.540 49 V HA 0.719 4.839 4.120 -0.000 0.000 0.302 49 V C -0.761 175.171 176.094 -0.270 0.000 1.035 49 V CA -0.868 61.236 62.300 -0.327 0.000 0.873 49 V CB 1.917 33.372 31.823 -0.615 0.000 0.992 49 V HN 0.815 nan 8.190 nan 0.000 0.428 50 L N 4.119 125.192 121.223 -0.251 0.000 2.325 50 L HA 0.999 5.339 4.340 -0.000 0.000 0.278 50 L C 0.576 177.337 176.870 -0.181 0.000 1.023 50 L CA -0.430 54.230 54.840 -0.301 0.000 0.811 50 L CB 1.834 43.635 42.059 -0.430 0.000 1.249 50 L HN 0.960 nan 8.230 nan 0.000 0.431 51 G N 0.139 108.837 108.800 -0.168 0.000 2.659 51 G HA2 0.482 4.442 3.960 -0.000 0.000 0.296 51 G HA3 0.482 4.442 3.960 -0.000 0.000 0.296 51 G C -1.707 173.144 174.900 -0.082 0.000 1.369 51 G CA -0.353 44.706 45.100 -0.069 0.000 0.937 51 G HN 0.418 nan 8.290 nan 0.000 0.485 52 S N -0.659 115.017 115.700 -0.040 0.000 2.475 52 S HA 0.466 4.936 4.470 -0.000 0.000 0.298 52 S C 1.456 176.061 174.600 0.008 0.000 1.119 52 S CA 0.069 58.254 58.200 -0.025 0.000 1.085 52 S CB 1.248 64.443 63.200 -0.009 0.000 1.028 52 S HN 1.126 nan 8.310 nan 0.000 0.489 53 S N 2.923 118.631 115.700 0.013 0.000 2.607 53 S HA 0.142 4.612 4.470 -0.000 0.000 0.224 53 S C 0.217 174.839 174.600 0.036 0.000 0.969 53 S CA -0.077 58.137 58.200 0.024 0.000 0.927 53 S CB -0.340 62.867 63.200 0.013 0.000 0.772 53 S HN 0.787 nan 8.310 nan 0.000 0.533 54 E N 2.774 123.001 120.200 0.044 0.000 2.331 54 E HA 0.293 4.643 4.350 -0.000 0.000 0.272 54 E C -0.051 176.585 176.600 0.060 0.000 1.036 54 E CA -0.663 55.778 56.400 0.068 0.000 0.864 54 E CB 0.498 30.249 29.700 0.085 0.000 1.035 54 E HN 0.587 nan 8.360 nan 0.000 0.408 55 N N 1.240 119.980 118.700 0.068 0.000 2.418 55 N HA 0.164 4.903 4.740 -0.000 0.000 0.283 55 N C 0.628 176.169 175.510 0.053 0.000 1.267 55 N CA -0.050 53.032 53.050 0.054 0.000 0.975 55 N CB 0.132 38.651 38.487 0.053 0.000 1.167 55 N HN 0.412 nan 8.380 nan 0.000 0.581 56 A N -0.636 122.209 122.820 0.042 0.000 1.940 56 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 56 A C 2.033 179.643 177.584 0.044 0.000 1.176 56 A CA 2.139 54.199 52.037 0.038 0.000 0.631 56 A CB -1.591 17.427 19.000 0.030 0.000 0.814 56 A HN 0.869 nan 8.150 nan 0.000 0.446 57 A N -1.846 121.003 122.820 0.049 0.000 2.248 57 A HA 0.360 4.680 4.320 -0.000 0.000 0.210 57 A C 1.874 179.498 177.584 0.066 0.000 1.174 57 A CA 1.349 53.418 52.037 0.052 0.000 0.750 57 A CB -1.051 17.981 19.000 0.052 0.000 0.780 57 A HN 1.979 nan 8.150 nan 0.000 0.478 58 G N -1.611 107.236 108.800 0.078 0.000 2.141 58 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.242 58 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.242 58 G C 0.286 175.279 174.900 0.157 0.000 0.982 58 G CA 0.568 45.728 45.100 0.099 0.000 0.662 58 G HN 1.771 nan 8.290 nan 0.000 0.527 59 V N -1.818 118.196 119.914 0.167 0.000 2.769 59 V HA 0.776 4.896 4.120 -0.000 0.000 0.312 59 V C 1.361 177.578 176.094 0.206 0.000 1.058 59 V CA -1.288 61.169 62.300 0.260 0.000 0.952 59 V CB 1.183 33.146 31.823 0.234 0.000 1.019 59 V HN 1.400 nan 8.190 nan 0.000 0.445 60 c N 2.234 120.952 118.600 0.197 0.000 2.611 60 c HA 0.630 5.200 4.570 -0.000 0.000 0.416 60 c C 0.705 174.869 174.090 0.124 0.000 1.366 60 c CA 0.443 56.811 56.329 0.065 0.000 1.761 60 c CB -0.772 41.691 42.510 -0.079 0.000 2.619 60 c HN 1.430 nan 8.230 nan 0.000 0.606 61 S N 1.343 117.099 115.700 0.094 0.000 2.568 61 S HA 0.493 4.963 4.470 -0.000 0.000 0.293 61 S C 0.704 175.358 174.600 0.089 0.000 1.089 61 S CA -0.066 58.189 58.200 0.091 0.000 0.945 61 S CB 1.437 64.677 63.200 0.068 0.000 1.077 61 S HN 0.914 nan 8.310 nan 0.000 0.485 62 D N 2.333 122.785 120.400 0.086 0.000 2.363 62 D HA 0.033 4.673 4.640 -0.000 0.000 0.220 62 D C 1.101 177.441 176.300 0.068 0.000 0.994 62 D CA 0.825 54.879 54.000 0.091 0.000 0.890 62 D CB -0.207 40.639 40.800 0.077 0.000 0.906 62 D HN 0.453 nan 8.370 nan 0.000 0.530 63 T N -0.453 114.133 114.554 0.053 0.000 3.071 63 T HA 0.300 4.650 4.350 -0.000 0.000 0.239 63 T C 2.022 176.748 174.700 0.042 0.000 0.997 63 T CA 0.720 62.849 62.100 0.047 0.000 1.134 63 T CB -0.043 68.845 68.868 0.034 0.000 0.928 63 T HN 0.246 nan 8.240 nan 0.000 0.453 64 A N 1.762 124.607 122.820 0.041 0.000 1.933 64 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 64 A C 2.523 180.127 177.584 0.033 0.000 1.175 64 A CA 1.951 54.009 52.037 0.035 0.000 0.628 64 A CB -1.045 17.978 19.000 0.039 0.000 0.814 64 A HN 0.488 nan 8.150 nan 0.000 0.444 65 A N 0.301 123.145 122.820 0.039 0.000 1.858 65 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 65 A C 0.441 178.040 177.584 0.025 0.000 1.190 65 A CA 1.755 53.813 52.037 0.035 0.000 0.617 65 A CB -1.502 17.518 19.000 0.034 0.000 0.827 65 A HN 0.512 nan 8.150 nan 0.000 0.443 66 P HA -0.084 nan 4.420 nan 0.000 0.219 66 P C 1.323 178.569 177.300 -0.091 0.000 1.150 66 P CA 0.713 63.798 63.100 -0.025 0.000 0.814 66 P CB -0.117 31.644 31.700 0.102 0.000 0.787 67 L N 0.315 121.522 121.223 -0.026 0.000 2.046 67 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 67 L C 2.791 179.659 176.870 -0.004 0.000 1.077 67 L CA 2.001 56.826 54.840 -0.025 0.000 0.747 67 L CB -1.898 40.162 42.059 0.002 0.000 0.896 67 L HN -0.049 nan 8.230 nan 0.000 0.432 68 A N -1.026 121.807 122.820 0.022 0.000 1.897 68 A HA -0.047 4.273 4.320 -0.000 0.000 0.215 68 A C 2.481 180.132 177.584 0.112 0.000 1.181 68 A CA 1.468 53.538 52.037 0.055 0.000 0.620 68 A CB -0.817 18.213 19.000 0.051 0.000 0.821 68 A HN 0.370 nan 8.150 nan 0.000 0.443 69 A N -0.438 122.452 122.820 0.117 0.000 1.902 69 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 69 A C 2.226 179.985 177.584 0.292 0.000 1.181 69 A CA 1.831 54.020 52.037 0.254 0.000 0.623 69 A CB -0.958 18.058 19.000 0.027 0.000 0.818 69 A HN 0.372 nan 8.150 nan 0.000 0.443 70 V N 0.603 120.583 119.914 0.109 0.000 2.295 70 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 70 V C 2.226 178.363 176.094 0.072 0.000 1.049 70 V CA 2.335 64.678 62.300 0.073 0.000 1.024 70 V CB -0.816 30.945 31.823 -0.103 0.000 0.648 70 V HN 0.500 nan 8.190 nan 0.000 0.447 71 D N 0.106 120.549 120.400 0.072 0.000 2.104 71 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 71 D C 2.156 178.524 176.300 0.113 0.000 0.994 71 D CA 1.305 55.357 54.000 0.086 0.000 0.830 71 D CB -0.285 40.551 40.800 0.060 0.000 0.959 71 D HN 0.338 nan 8.370 nan 0.000 0.452 72 L N 0.396 121.710 121.223 0.152 0.000 2.046 72 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 72 L C 2.386 179.323 176.870 0.111 0.000 1.077 72 L CA 0.998 55.946 54.840 0.180 0.000 0.747 72 L CB -0.412 41.759 42.059 0.188 0.000 0.896 72 L HN -0.004 nan 8.230 nan 0.000 0.432 73 K N 0.057 120.536 120.400 0.132 0.000 2.032 73 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 73 K C 2.040 178.577 176.600 -0.104 0.000 1.048 73 K CA 1.710 57.966 56.287 -0.052 0.000 0.927 73 K CB -0.610 31.596 32.500 -0.489 0.000 0.712 73 K HN 0.418 nan 8.250 nan 0.000 0.441 74 W N 1.465 122.640 121.300 -0.209 0.000 2.407 74 W HA -0.133 4.527 4.660 -0.000 0.000 0.305 74 W C 1.306 177.708 176.519 -0.195 0.000 1.196 74 W CA 1.787 59.018 57.345 -0.189 0.000 1.311 74 W CB -0.011 29.360 29.460 -0.148 0.000 1.135 74 W HN 0.225 nan 8.180 nan 0.000 0.514 75 E N -1.449 118.653 120.200 -0.162 0.000 2.204 75 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 75 E C 1.418 177.581 176.600 -0.729 0.000 0.989 75 E CA 1.065 57.189 56.400 -0.460 0.000 0.824 75 E CB -0.115 29.269 29.700 -0.527 0.000 0.756 75 E HN 0.336 nan 8.360 nan 0.000 0.477 76 H N -1.465 117.521 119.070 -0.139 0.000 3.233 76 H HA 0.256 4.812 4.556 -0.000 0.000 0.263 76 H C 0.039 175.274 175.328 -0.155 0.000 1.168 76 H CA 0.044 56.009 56.048 -0.139 0.000 1.159 76 H CB 1.008 30.700 29.762 -0.117 0.000 1.593 76 H HN -0.094 nan 8.280 nan 0.000 0.580 77 S N 2.422 118.054 115.700 -0.113 0.000 3.447 77 S HA -0.110 4.360 4.470 -0.000 0.000 0.371 77 S C -2.246 172.311 174.600 -0.070 0.000 0.951 77 S CA 0.084 58.212 58.200 -0.119 0.000 1.269 77 S CB -0.932 62.187 63.200 -0.135 0.000 0.919 77 S HN 0.480 nan 8.310 nan 0.000 0.516 78 P HA 0.291 nan 4.420 nan 0.000 0.269 78 P C 0.703 177.953 177.300 -0.083 0.000 1.209 78 P CA 0.001 63.007 63.100 -0.157 0.000 0.776 78 P CB 0.910 32.355 31.700 -0.425 0.000 0.876 79 A N 2.441 125.226 122.820 -0.059 0.000 2.072 79 A HA 0.211 4.531 4.320 -0.000 0.000 0.216 79 A C 0.891 178.489 177.584 0.023 0.000 1.156 79 A CA 0.953 52.990 52.037 0.000 0.000 0.701 79 A CB -0.140 18.865 19.000 0.007 0.000 0.816 79 A HN 0.498 nan 8.150 nan 0.000 0.458 80 V N -1.795 118.072 119.914 -0.078 0.000 3.167 80 V HA 0.605 4.725 4.120 -0.000 0.000 0.293 80 V C -2.157 173.836 176.094 -0.169 0.000 1.379 80 V CA -1.147 61.100 62.300 -0.089 0.000 1.019 80 V CB 1.889 33.466 31.823 -0.409 0.000 1.115 80 V HN 0.175 nan 8.190 nan 0.000 0.442 81 F N 4.456 124.382 119.950 -0.040 0.000 2.458 81 F HA 0.792 5.319 4.527 -0.000 0.000 0.330 81 F C -0.298 175.495 175.800 -0.012 0.000 1.082 81 F CA -0.667 57.337 58.000 0.005 0.000 0.995 81 F CB 1.978 41.023 39.000 0.075 0.000 1.170 81 F HN 0.409 nan 8.300 nan 0.000 0.478 82 L N 2.658 123.986 121.223 0.175 0.000 2.325 82 L HA 0.824 5.164 4.340 -0.000 0.000 0.281 82 L C -0.105 176.922 176.870 0.262 0.000 1.004 82 L CA 0.019 54.986 54.840 0.211 0.000 0.823 82 L CB 0.857 43.016 42.059 0.166 0.000 1.236 82 L HN 0.780 nan 8.230 nan 0.000 0.415 83 G N 4.418 113.428 108.800 0.350 0.000 2.710 83 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.668 83 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.668 83 G C -3.096 171.879 174.900 0.125 0.000 1.320 83 G CA -0.844 44.406 45.100 0.250 0.000 0.860 83 G HN 0.519 nan 8.290 nan 0.000 0.538 84 P HA 0.395 nan 4.420 nan 0.000 0.274 84 P C 1.053 178.234 177.300 -0.197 0.000 1.256 84 P CA 0.719 63.786 63.100 -0.054 0.000 0.795 84 P CB 0.778 32.427 31.700 -0.085 0.000 1.038 85 G N -0.767 107.743 108.800 -0.483 0.000 2.651 85 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.207 85 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.207 85 G C 0.018 174.008 174.900 -1.515 0.000 1.131 85 G CA 0.302 44.661 45.100 -1.235 0.000 0.816 85 G HN 0.486 nan 8.290 nan 0.000 0.534 86 c N 1.264 119.322 118.600 -0.904 0.000 2.653 86 c HA 0.257 4.827 4.570 -0.000 0.000 0.421 86 c C 2.244 176.119 174.090 -0.358 0.000 1.334 86 c CA -0.621 55.480 56.329 -0.381 0.000 1.885 86 c CB 1.098 43.609 42.510 0.002 0.000 2.645 86 c HN 0.246 nan 8.230 nan 0.000 0.601 87 V N 2.912 122.587 119.914 -0.398 0.000 2.287 87 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 87 V C 1.688 177.547 176.094 -0.392 0.000 1.053 87 V CA 2.091 64.055 62.300 -0.561 0.000 1.027 87 V CB -0.885 30.327 31.823 -1.019 0.000 0.646 87 V HN 0.987 nan 8.190 nan 0.000 0.447 88 Y N -0.005 120.245 120.300 -0.083 0.000 2.352 88 Y HA -0.175 4.375 4.550 -0.000 0.000 0.292 88 Y C 2.737 178.626 175.900 -0.018 0.000 1.136 88 Y CA 1.146 59.243 58.100 -0.005 0.000 1.227 88 Y CB -0.070 38.437 38.460 0.078 0.000 0.991 88 Y HN 0.208 nan 8.280 nan 0.000 0.545 89 S N -0.475 115.272 115.700 0.077 0.000 2.388 89 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 89 S C 2.267 176.857 174.600 -0.016 0.000 1.034 89 S CA 0.707 58.926 58.200 0.033 0.000 0.963 89 S CB -0.328 62.870 63.200 -0.005 0.000 0.827 89 S HN 0.480 nan 8.310 nan 0.000 0.481 90 A N 1.737 124.496 122.820 -0.102 0.000 1.969 90 A HA 0.179 4.499 4.320 -0.000 0.000 0.218 90 A C 2.283 179.828 177.584 -0.065 0.000 1.169 90 A CA 1.549 53.511 52.037 -0.124 0.000 0.635 90 A CB -0.973 17.878 19.000 -0.247 0.000 0.810 90 A HN 0.476 nan 8.150 nan 0.000 0.445 91 A N 0.680 123.466 122.820 -0.057 0.000 1.851 91 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 91 A C 0.526 178.218 177.584 0.181 0.000 1.195 91 A CA 1.919 53.999 52.037 0.072 0.000 0.622 91 A CB -1.571 17.471 19.000 0.071 0.000 0.831 91 A HN 0.521 nan 8.150 nan 0.000 0.444 92 P HA -0.032 nan 4.420 nan 0.000 0.220 92 P C 1.598 178.964 177.300 0.109 0.000 1.152 92 P CA 1.261 64.413 63.100 0.087 0.000 0.812 92 P CB -0.182 31.586 31.700 0.114 0.000 0.792 93 V N 1.072 121.035 119.914 0.081 0.000 2.295 93 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 93 V C 2.928 178.984 176.094 -0.064 0.000 1.049 93 V CA 2.518 64.819 62.300 0.001 0.000 1.024 93 V CB -1.953 29.836 31.823 -0.056 0.000 0.648 93 V HN 0.164 nan 8.190 nan 0.000 0.447 94 G N -0.201 108.626 108.800 0.044 0.000 2.450 94 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 94 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 94 G C 1.703 176.566 174.900 -0.062 0.000 1.130 94 G CA 0.415 45.589 45.100 0.123 0.000 0.760 94 G HN 0.307 nan 8.290 nan 0.000 0.557 95 R N -0.237 120.152 120.500 -0.186 0.000 2.092 95 R HA 0.088 4.428 4.340 -0.000 0.000 0.231 95 R C 2.250 178.258 176.300 -0.488 0.000 1.119 95 R CA 0.526 56.365 56.100 -0.435 0.000 0.970 95 R CB -1.047 28.976 30.300 -0.462 0.000 0.864 95 R HN 0.491 nan 8.270 nan 0.000 0.440 96 F N 1.053 120.677 119.950 -0.544 0.000 2.113 96 F HA -0.213 4.314 4.527 -0.000 0.000 0.297 96 F C 2.681 177.746 175.800 -1.225 0.000 1.103 96 F CA 1.955 59.337 58.000 -1.029 0.000 1.248 96 F CB -0.552 37.682 39.000 -1.276 0.000 0.999 96 F HN 0.144 nan 8.300 nan 0.000 0.475 97 T N -1.797 112.411 114.554 -0.576 0.000 2.788 97 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 97 T C 2.064 176.721 174.700 -0.072 0.000 1.044 97 T CA 0.969 62.935 62.100 -0.223 0.000 1.139 97 T CB -0.865 67.931 68.868 -0.120 0.000 0.867 97 T HN 0.211 nan 8.240 nan 0.000 0.454 98 A N 1.484 124.227 122.820 -0.129 0.000 1.902 98 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 98 A C 2.235 179.790 177.584 -0.048 0.000 1.181 98 A CA 2.059 54.052 52.037 -0.073 0.000 0.623 98 A CB -1.248 17.672 19.000 -0.134 0.000 0.818 98 A HN 0.737 nan 8.150 nan 0.000 0.443 99 H N -1.723 117.208 119.070 -0.231 0.000 2.387 99 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 99 H C 1.457 176.826 175.328 0.068 0.000 1.090 99 H CA 1.954 57.907 56.048 -0.159 0.000 1.332 99 H CB -0.171 29.403 29.762 -0.313 0.000 1.386 99 H HN 0.631 nan 8.280 nan 0.000 0.516 100 W N 0.871 122.169 121.300 -0.003 0.000 3.047 100 W HA 0.210 4.870 4.660 -0.000 0.000 0.250 100 W C 0.300 176.806 176.519 -0.021 0.000 1.314 100 W CA 0.497 57.826 57.345 -0.027 0.000 1.540 100 W CB -0.264 29.256 29.460 0.100 0.000 1.127 100 W HN 0.204 nan 8.180 nan 0.000 0.679 101 R N -0.400 120.197 120.500 0.161 0.000 3.422 101 R HA -0.161 4.179 4.340 -0.000 0.000 0.267 101 R C -0.708 175.675 176.300 0.138 0.000 1.074 101 R CA 0.407 56.565 56.100 0.096 0.000 0.718 101 R CB -2.459 27.867 30.300 0.044 0.000 1.157 101 R HN -0.121 nan 8.270 nan 0.000 0.440 102 V N 0.873 120.918 119.914 0.218 0.000 2.459 102 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 102 V C -1.836 174.387 176.094 0.214 0.000 1.029 102 V CA -2.065 60.387 62.300 0.254 0.000 0.874 102 V CB 2.155 34.246 31.823 0.447 0.000 0.985 102 V HN -0.019 nan 8.190 nan 0.000 0.438 103 P HA 0.263 nan 4.420 nan 0.000 0.269 103 P C -0.904 176.489 177.300 0.155 0.000 1.209 103 P CA -0.118 63.057 63.100 0.126 0.000 0.776 103 P CB 0.645 32.409 31.700 0.107 0.000 0.876 104 L N 3.423 124.723 121.223 0.129 0.000 2.381 104 L HA 0.497 4.837 4.340 -0.000 0.000 0.274 104 L C -1.477 175.435 176.870 0.070 0.000 0.988 104 L CA -0.627 54.293 54.840 0.133 0.000 0.824 104 L CB 0.801 42.925 42.059 0.109 0.000 1.263 104 L HN 0.180 nan 8.230 nan 0.000 0.410 105 L N 4.489 125.734 121.223 0.037 0.000 2.322 105 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 105 L C -0.245 176.615 176.870 -0.016 0.000 1.014 105 L CA -0.423 54.409 54.840 -0.013 0.000 0.815 105 L CB 1.876 43.904 42.059 -0.053 0.000 1.247 105 L HN 0.598 nan 8.230 nan 0.000 0.421 106 T N 0.852 115.305 114.554 -0.169 0.000 2.932 106 T HA 0.574 4.924 4.350 -0.000 0.000 0.318 106 T C -0.156 174.151 174.700 -0.654 0.000 1.265 106 T CA 0.083 61.971 62.100 -0.353 0.000 1.036 106 T CB 1.850 70.626 68.868 -0.154 0.000 1.209 106 T HN 0.641 nan 8.240 nan 0.000 0.484 107 A N 2.274 124.343 122.820 -1.252 0.000 2.423 107 A HA 0.686 5.006 4.320 -0.000 0.000 0.246 107 A C 1.050 178.408 177.584 -0.377 0.000 1.278 107 A CA 0.605 52.172 52.037 -0.784 0.000 0.903 107 A CB -0.355 18.137 19.000 -0.846 0.000 0.997 107 A HN 0.965 nan 8.150 nan 0.000 0.510 108 G N -2.386 106.198 108.800 -0.361 0.000 3.175 108 G HA2 0.520 4.480 3.960 -0.000 0.000 0.153 108 G HA3 0.520 4.480 3.960 -0.000 0.000 0.153 108 G C 0.664 175.310 174.900 -0.422 0.000 1.216 108 G CA -0.057 44.819 45.100 -0.373 0.000 0.943 108 G HN 1.447 nan 8.290 nan 0.000 0.611 109 A N 0.063 122.564 122.820 -0.532 0.000 2.560 109 A HA -0.101 4.219 4.320 -0.000 0.000 0.299 109 A C -0.592 176.719 177.584 -0.454 0.000 1.484 109 A CA 1.199 52.946 52.037 -0.483 0.000 0.749 109 A CB -1.342 17.403 19.000 -0.424 0.000 1.072 109 A HN 0.453 nan 8.150 nan 0.000 0.426 110 P HA 0.178 nan 4.420 nan 0.000 0.242 110 P C 0.765 177.736 177.300 -0.549 0.000 1.197 110 P CA 1.098 63.852 63.100 -0.577 0.000 0.765 110 P CB -0.271 30.906 31.700 -0.871 0.000 0.936 111 A N 0.474 123.018 122.820 -0.460 0.000 2.466 111 A HA 0.030 4.350 4.320 -0.000 0.000 0.238 111 A C 1.436 178.904 177.584 -0.192 0.000 1.074 111 A CA -0.341 51.512 52.037 -0.306 0.000 0.774 111 A CB -0.232 18.387 19.000 -0.635 0.000 1.015 111 A HN 0.129 nan 8.150 nan 0.000 0.498 112 L N 3.091 124.291 121.223 -0.039 0.000 2.013 112 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 112 L C 2.318 179.151 176.870 -0.060 0.000 1.073 112 L CA 3.082 57.904 54.840 -0.030 0.000 0.753 112 L CB -1.097 40.975 42.059 0.022 0.000 0.890 112 L HN 0.806 nan 8.230 nan 0.000 0.432 113 G N 0.046 108.819 108.800 -0.046 0.000 2.469 113 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 113 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 113 G C 1.485 176.298 174.900 -0.144 0.000 1.136 113 G CA 1.042 46.124 45.100 -0.029 0.000 0.759 113 G HN 0.449 nan 8.290 nan 0.000 0.562 114 I N 1.807 122.143 120.570 -0.390 0.000 2.614 114 I HA -0.046 4.124 4.170 -0.000 0.000 0.258 114 I C 2.782 178.715 176.117 -0.307 0.000 1.189 114 I CA 1.002 61.889 61.300 -0.688 0.000 1.462 114 I CB -1.406 36.209 38.000 -0.641 0.000 1.092 114 I HN 0.223 nan 8.210 nan 0.000 0.442 115 G N 0.638 109.335 108.800 -0.173 0.000 2.744 115 G HA2 0.023 3.983 3.960 -0.000 0.000 0.211 115 G HA3 0.023 3.983 3.960 -0.000 0.000 0.211 115 G C 0.848 175.738 174.900 -0.017 0.000 1.143 115 G CA -0.027 45.008 45.100 -0.108 0.000 0.788 115 G HN 0.226 nan 8.290 nan 0.000 0.534 116 V N 2.252 122.207 119.914 0.067 0.000 2.287 116 V HA 0.113 4.233 4.120 -0.000 0.000 0.246 116 V C 0.981 177.175 176.094 0.166 0.000 1.165 116 V CA -0.290 62.074 62.300 0.106 0.000 1.088 116 V CB 0.700 32.599 31.823 0.127 0.000 1.242 116 V HN 0.143 nan 8.190 nan 0.000 0.497 117 K N 1.598 122.074 120.400 0.127 0.000 2.439 117 K HA -0.059 4.260 4.320 -0.000 0.000 0.197 117 K C 1.316 178.005 176.600 0.148 0.000 1.041 117 K CA 0.474 56.875 56.287 0.191 0.000 0.970 117 K CB 0.032 32.682 32.500 0.250 0.000 0.773 117 K HN 0.541 nan 8.250 nan 0.000 0.479 118 D N 1.273 121.727 120.400 0.090 0.000 2.178 118 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 118 D C 1.559 177.850 176.300 -0.015 0.000 0.980 118 D CA 1.064 55.089 54.000 0.041 0.000 0.842 118 D CB 0.302 41.118 40.800 0.026 0.000 0.948 118 D HN 0.429 nan 8.370 nan 0.000 0.472 119 E N -0.713 119.458 120.200 -0.049 0.000 2.099 119 E HA -0.038 4.312 4.350 -0.000 0.000 0.191 119 E C 0.430 176.800 176.600 -0.383 0.000 0.962 119 E CA 0.188 56.446 56.400 -0.236 0.000 0.826 119 E CB -0.035 29.468 29.700 -0.329 0.000 0.788 119 E HN 0.291 nan 8.360 nan 0.000 0.461 120 Y N 1.619 121.912 120.300 -0.011 0.000 2.930 120 Y HA 0.295 4.845 4.550 -0.000 0.000 0.386 120 Y C 0.176 176.108 175.900 0.055 0.000 1.185 120 Y CA -0.747 57.349 58.100 -0.007 0.000 1.922 120 Y CB -0.197 38.248 38.460 -0.024 0.000 2.006 120 Y HN -0.027 nan 8.280 nan 0.000 0.431 121 A N 0.967 123.829 122.820 0.069 0.000 2.511 121 A HA 0.313 4.633 4.320 -0.000 0.000 0.242 121 A C 0.987 178.634 177.584 0.104 0.000 1.069 121 A CA -0.091 52.002 52.037 0.093 0.000 0.763 121 A CB -0.050 18.957 19.000 0.013 0.000 1.001 121 A HN 0.908 nan 8.150 nan 0.000 0.498 122 L N 0.361 121.649 121.223 0.107 0.000 4.696 122 L HA -0.184 4.156 4.340 -0.000 0.000 0.425 122 L C 0.498 177.488 176.870 0.200 0.000 1.115 122 L CA 0.713 55.597 54.840 0.074 0.000 0.996 122 L CB -2.632 39.443 42.059 0.026 0.000 2.077 122 L HN 0.732 nan 8.230 nan 0.000 0.792 123 T N 0.828 115.556 114.554 0.291 0.000 2.743 123 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 123 T C 0.490 175.360 174.700 0.282 0.000 0.945 123 T CA 0.216 62.449 62.100 0.220 0.000 1.030 123 T CB 1.345 70.307 68.868 0.157 0.000 0.912 123 T HN 0.064 nan 8.240 nan 0.000 0.483 124 T N 5.412 120.084 114.554 0.197 0.000 2.786 124 T HA 0.391 4.740 4.350 -0.000 0.000 0.283 124 T C 0.112 174.781 174.700 -0.051 0.000 0.992 124 T CA -0.728 61.465 62.100 0.154 0.000 0.954 124 T CB 0.791 69.821 68.868 0.270 0.000 0.934 124 T HN 0.362 nan 8.240 nan 0.000 0.440 125 R N 1.942 122.346 120.500 -0.159 0.000 2.229 125 R HA 0.381 4.721 4.340 -0.000 0.000 0.328 125 R C 1.044 177.210 176.300 -0.222 0.000 1.009 125 R CA -0.369 55.599 56.100 -0.219 0.000 0.864 125 R CB 0.765 30.915 30.300 -0.250 0.000 1.085 125 R HN 0.728 nan 8.270 nan 0.000 0.453 126 T N -1.441 112.964 114.554 -0.249 0.000 3.092 126 T HA 0.232 4.582 4.350 -0.000 0.000 0.258 126 T C 0.779 175.335 174.700 -0.239 0.000 1.031 126 T CA -0.342 61.625 62.100 -0.221 0.000 0.925 126 T CB 0.749 69.501 68.868 -0.195 0.000 1.036 126 T HN 0.556 nan 8.240 nan 0.000 0.544 127 G N 1.457 110.093 108.800 -0.274 0.000 3.016 127 G HA2 0.703 4.663 3.960 -0.000 0.000 0.270 127 G HA3 0.703 4.663 3.960 -0.000 0.000 0.270 127 G C -3.062 171.673 174.900 -0.275 0.000 1.352 127 G CA -2.062 42.883 45.100 -0.258 0.000 1.060 127 G HN 0.047 nan 8.290 nan 0.000 0.538 128 P HA 0.262 nan 4.420 nan 0.000 0.271 128 P C -0.376 176.782 177.300 -0.236 0.000 1.233 128 P CA -0.116 62.772 63.100 -0.353 0.000 0.789 128 P CB 1.124 32.400 31.700 -0.707 0.000 0.951 129 S N -0.535 115.078 115.700 -0.146 0.000 2.569 129 S HA 0.379 4.849 4.470 -0.000 0.000 0.280 129 S C 0.441 175.029 174.600 -0.020 0.000 1.111 129 S CA -0.553 57.523 58.200 -0.205 0.000 0.887 129 S CB 0.845 63.937 63.200 -0.180 0.000 1.095 129 S HN 0.368 nan 8.310 nan 0.000 0.476 130 H N 1.361 120.455 119.070 0.040 0.000 2.462 130 H HA 0.013 4.569 4.556 -0.000 0.000 0.292 130 H C 2.210 177.552 175.328 0.023 0.000 1.049 130 H CA 1.541 57.626 56.048 0.061 0.000 1.334 130 H CB -0.535 29.241 29.762 0.025 0.000 1.404 130 H HN 0.607 nan 8.280 nan 0.000 0.544 131 V N -0.388 119.582 119.914 0.093 0.000 2.594 131 V HA -0.153 3.967 4.120 -0.000 0.000 0.253 131 V C 2.057 178.186 176.094 0.057 0.000 1.069 131 V CA 1.312 63.633 62.300 0.035 0.000 1.082 131 V CB -0.291 31.529 31.823 -0.004 0.000 0.680 131 V HN 0.114 nan 8.190 nan 0.000 0.469 132 K N 0.614 121.093 120.400 0.132 0.000 2.147 132 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 132 K C 2.082 178.808 176.600 0.209 0.000 1.049 132 K CA 1.513 57.941 56.287 0.234 0.000 0.936 132 K CB -0.684 32.013 32.500 0.328 0.000 0.722 132 K HN 0.554 nan 8.250 nan 0.000 0.446 133 L N 0.827 122.132 121.223 0.136 0.000 2.141 133 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 133 L C 2.034 178.735 176.870 -0.282 0.000 1.094 133 L CA 1.912 56.582 54.840 -0.284 0.000 0.763 133 L CB -0.930 41.075 42.059 -0.091 0.000 0.908 133 L HN 0.166 nan 8.230 nan 0.000 0.437 134 G N -1.037 107.671 108.800 -0.154 0.000 2.422 134 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.218 134 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.218 134 G C 1.242 176.020 174.900 -0.204 0.000 1.146 134 G CA 0.828 45.807 45.100 -0.202 0.000 0.769 134 G HN 0.418 nan 8.290 nan 0.000 0.547 135 D N -0.141 120.193 120.400 -0.109 0.000 2.144 135 D HA -0.080 4.560 4.640 -0.000 0.000 0.200 135 D C 1.924 178.065 176.300 -0.265 0.000 0.978 135 D CA 0.373 54.336 54.000 -0.062 0.000 0.833 135 D CB -0.299 40.589 40.800 0.147 0.000 0.961 135 D HN 0.277 nan 8.370 nan 0.000 0.470 136 F N 1.526 121.077 119.950 -0.665 0.000 2.113 136 F HA -0.161 4.366 4.527 -0.000 0.000 0.297 136 F C 2.108 177.543 175.800 -0.609 0.000 1.103 136 F CA 0.848 58.204 58.000 -1.073 0.000 1.248 136 F CB -0.544 37.749 39.000 -1.178 0.000 0.999 136 F HN -0.221 nan 8.300 nan 0.000 0.475 137 V N -0.045 119.450 119.914 -0.699 0.000 2.343 137 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 137 V C 2.369 178.223 176.094 -0.400 0.000 1.051 137 V CA 2.366 64.294 62.300 -0.621 0.000 1.036 137 V CB -1.206 30.242 31.823 -0.625 0.000 0.654 137 V HN 0.417 nan 8.190 nan 0.000 0.451 138 T N 0.375 114.720 114.554 -0.349 0.000 2.720 138 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 138 T C 2.044 176.669 174.700 -0.125 0.000 1.037 138 T CA 1.728 63.701 62.100 -0.212 0.000 1.144 138 T CB -0.406 68.369 68.868 -0.155 0.000 0.864 138 T HN 0.589 nan 8.240 nan 0.000 0.444 139 A N 0.920 123.633 122.820 -0.178 0.000 1.898 139 A HA 0.059 4.379 4.320 -0.000 0.000 0.216 139 A C 2.324 179.846 177.584 -0.103 0.000 1.181 139 A CA 1.056 53.043 52.037 -0.082 0.000 0.620 139 A CB -0.806 18.193 19.000 -0.002 0.000 0.819 139 A HN 0.459 nan 8.150 nan 0.000 0.442 140 L N -1.356 119.719 121.223 -0.247 0.000 2.046 140 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 140 L C 2.668 179.488 176.870 -0.084 0.000 1.077 140 L CA 1.537 56.258 54.840 -0.198 0.000 0.747 140 L CB -0.642 41.210 42.059 -0.344 0.000 0.896 140 L HN 0.548 nan 8.230 nan 0.000 0.432 141 H N -0.530 118.492 119.070 -0.079 0.000 2.357 141 H HA -0.107 4.449 4.556 -0.000 0.000 0.301 141 H C 2.423 177.705 175.328 -0.076 0.000 1.082 141 H CA 1.160 57.237 56.048 0.049 0.000 1.342 141 H CB 0.186 30.039 29.762 0.152 0.000 1.389 141 H HN 0.311 nan 8.280 nan 0.000 0.511 142 R N 0.483 121.007 120.500 0.040 0.000 2.092 142 R HA -0.085 4.255 4.340 -0.000 0.000 0.231 142 R C 2.504 178.762 176.300 -0.070 0.000 1.119 142 R CA 0.718 56.810 56.100 -0.014 0.000 0.970 142 R CB -0.105 30.194 30.300 -0.002 0.000 0.864 142 R HN 0.231 nan 8.270 nan 0.000 0.440 143 R N 1.044 121.492 120.500 -0.088 0.000 2.075 143 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 143 R C 1.785 177.964 176.300 -0.201 0.000 1.126 143 R CA 1.158 57.200 56.100 -0.098 0.000 0.963 143 R CB -0.027 30.243 30.300 -0.050 0.000 0.858 143 R HN 0.196 nan 8.270 nan 0.000 0.435 144 L N -0.257 120.731 121.223 -0.393 0.000 2.591 144 L HA 0.219 4.559 4.340 -0.000 0.000 0.228 144 L C 0.968 177.409 176.870 -0.715 0.000 1.133 144 L CA 0.483 54.907 54.840 -0.694 0.000 0.880 144 L CB 0.324 41.565 42.059 -1.363 0.000 1.033 144 L HN 0.573 nan 8.230 nan 0.000 0.450 145 G N -0.930 107.625 108.800 -0.409 0.000 2.160 145 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.244 145 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.244 145 G C -0.337 174.522 174.900 -0.069 0.000 1.022 145 G CA -0.483 44.486 45.100 -0.217 0.000 0.741 145 G HN 0.236 nan 8.290 nan 0.000 0.508 146 W N 1.219 122.483 121.300 -0.060 0.000 2.311 146 W HA 0.548 5.208 4.660 -0.000 0.000 0.317 146 W C 0.900 177.462 176.519 0.071 0.000 1.065 146 W CA -0.565 56.761 57.345 -0.032 0.000 1.364 146 W CB -0.002 29.325 29.460 -0.223 0.000 1.233 146 W HN 0.594 nan 8.180 nan 0.000 0.409 147 E N 0.028 120.363 120.200 0.227 0.000 2.660 147 E HA 0.098 4.448 4.350 -0.000 0.000 0.216 147 E C 0.110 176.591 176.600 -0.199 0.000 0.986 147 E CA -0.006 56.395 56.400 0.002 0.000 1.037 147 E CB 0.267 29.888 29.700 -0.131 0.000 1.041 147 E HN 0.415 nan 8.360 nan 0.000 0.480 148 H N 0.171 119.326 119.070 0.143 0.000 2.381 148 H HA 0.307 4.863 4.556 -0.000 0.000 0.252 148 H C 0.130 175.517 175.328 0.099 0.000 0.920 148 H CA 0.323 56.432 56.048 0.103 0.000 1.100 148 H CB 1.020 30.840 29.762 0.097 0.000 1.435 148 H HN 0.031 nan 8.280 nan 0.000 0.454 149 Q N 0.105 120.053 119.800 0.247 0.000 2.435 149 Q HA 0.686 5.026 4.340 -0.000 0.000 0.282 149 Q C -1.976 174.103 176.000 0.133 0.000 1.020 149 Q CA -0.876 55.022 55.803 0.159 0.000 0.820 149 Q CB 2.573 31.410 28.738 0.165 0.000 1.436 149 Q HN 0.299 nan 8.270 nan 0.000 0.395 150 A N 1.835 124.720 122.820 0.108 0.000 2.587 150 A HA 0.791 5.111 4.320 -0.000 0.000 0.293 150 A C -2.248 175.416 177.584 0.132 0.000 1.087 150 A CA -0.543 51.587 52.037 0.155 0.000 0.692 150 A CB 1.749 20.929 19.000 0.300 0.000 1.291 150 A HN 0.573 nan 8.150 nan 0.000 0.407 151 L N 1.242 122.568 121.223 0.172 0.000 2.365 151 L HA 0.824 5.164 4.340 -0.000 0.000 0.273 151 L C -1.399 175.653 176.870 0.303 0.000 1.000 151 L CA -0.434 54.512 54.840 0.177 0.000 0.819 151 L CB 2.138 44.263 42.059 0.111 0.000 1.284 151 L HN 0.501 nan 8.230 nan 0.000 0.418 152 V N 6.056 126.166 119.914 0.327 0.000 2.444 152 V HA 0.490 4.610 4.120 -0.000 0.000 0.294 152 V C -0.223 176.134 176.094 0.439 0.000 1.022 152 V CA -0.530 62.010 62.300 0.400 0.000 0.850 152 V CB 1.463 33.491 31.823 0.341 0.000 0.992 152 V HN 0.635 nan 8.190 nan 0.000 0.426 153 L N 6.137 127.627 121.223 0.446 0.000 2.325 153 L HA 0.752 5.092 4.340 -0.000 0.000 0.278 153 L C -0.786 176.445 176.870 0.601 0.000 1.023 153 L CA -0.720 54.392 54.840 0.453 0.000 0.811 153 L CB 1.520 43.788 42.059 0.349 0.000 1.249 153 L HN 0.819 nan 8.230 nan 0.000 0.431 154 Y N 1.071 121.619 120.300 0.414 0.000 2.552 154 Y HA 0.864 5.414 4.550 -0.000 0.000 0.337 154 Y C -1.193 174.607 175.900 -0.166 0.000 1.094 154 Y CA -1.111 57.100 58.100 0.185 0.000 1.028 154 Y CB 1.547 40.070 38.460 0.105 0.000 1.321 154 Y HN 0.614 nan 8.280 nan 0.000 0.456 155 A N 2.308 124.940 122.820 -0.313 0.000 2.539 155 A HA 0.804 5.124 4.320 -0.000 0.000 0.296 155 A C -1.717 175.772 177.584 -0.158 0.000 1.073 155 A CA -0.585 51.100 52.037 -0.586 0.000 0.700 155 A CB 1.855 19.969 19.000 -1.477 0.000 1.296 155 A HN 0.794 nan 8.150 nan 0.000 0.405 156 D N -0.082 120.267 120.400 -0.086 0.000 2.592 156 D HA 0.415 5.055 4.640 -0.000 0.000 0.263 156 D C 0.249 176.551 176.300 0.003 0.000 1.132 156 D CA -0.589 53.426 54.000 0.025 0.000 0.996 156 D CB 1.436 42.300 40.800 0.106 0.000 1.442 156 D HN 0.543 nan 8.370 nan 0.000 0.486 157 R N -0.071 120.456 120.500 0.044 0.000 2.234 157 R HA 0.227 4.567 4.340 -0.000 0.000 0.102 157 R C 1.414 177.733 176.300 0.031 0.000 0.560 157 R CA -0.221 55.900 56.100 0.034 0.000 1.847 157 R CB -0.161 30.172 30.300 0.054 0.000 0.534 157 R HN 0.283 nan 8.270 nan 0.000 0.684 158 L N -1.327 119.917 121.223 0.035 0.000 2.349 158 L HA 0.268 4.608 4.340 -0.000 0.000 0.200 158 L C 0.697 177.589 176.870 0.037 0.000 1.064 158 L CA 0.866 55.721 54.840 0.026 0.000 0.821 158 L CB 0.576 42.644 42.059 0.016 0.000 1.027 158 L HN 0.666 nan 8.230 nan 0.000 0.476 159 G N 0.430 109.264 108.800 0.056 0.000 4.740 159 G HA2 0.328 4.288 3.960 -0.000 0.000 0.290 159 G HA3 0.328 4.288 3.960 -0.000 0.000 0.290 159 G C -1.511 173.462 174.900 0.123 0.000 1.333 159 G CA -0.226 44.914 45.100 0.067 0.000 0.923 159 G HN 0.365 nan 8.290 nan 0.000 0.559 160 D N -1.385 119.123 120.400 0.180 0.000 2.658 160 D HA 0.318 4.958 4.640 -0.000 0.000 0.243 160 D C 0.301 176.845 176.300 0.406 0.000 1.159 160 D CA -0.717 53.439 54.000 0.260 0.000 1.084 160 D CB 0.730 41.667 40.800 0.229 0.000 1.227 160 D HN -0.143 nan 8.370 nan 0.000 0.636 161 D N -1.506 119.166 120.400 0.454 0.000 2.324 161 D HA 0.046 4.686 4.640 -0.000 0.000 0.235 161 D C -0.221 176.402 176.300 0.538 0.000 1.095 161 D CA -0.085 54.229 54.000 0.523 0.000 0.871 161 D CB -0.281 40.797 40.800 0.464 0.000 0.906 161 D HN 0.313 nan 8.370 nan 0.000 0.522 162 R N -0.887 119.877 120.500 0.440 0.000 3.158 162 R HA -0.167 4.173 4.340 -0.000 0.000 0.244 162 R C -1.644 174.885 176.300 0.382 0.000 0.900 162 R CA 0.380 56.673 56.100 0.322 0.000 0.618 162 R CB -1.148 29.256 30.300 0.173 0.000 1.061 162 R HN 0.394 nan 8.270 nan 0.000 0.471 163 P HA -0.238 nan 4.420 nan 0.000 0.215 163 P C 1.020 178.454 177.300 0.222 0.000 1.157 163 P CA 1.287 64.618 63.100 0.385 0.000 0.868 163 P CB 0.002 31.922 31.700 0.366 0.000 0.788 164 c N -1.479 117.219 118.600 0.163 0.000 2.440 164 c HA -0.097 4.473 4.570 -0.000 0.000 0.278 164 c C 2.705 176.742 174.090 -0.090 0.000 1.295 164 c CA 0.346 56.717 56.329 0.069 0.000 1.738 164 c CB -2.258 40.351 42.510 0.165 0.000 1.987 164 c HN 0.195 nan 8.230 nan 0.000 0.492 165 F N 0.836 120.680 119.950 -0.177 0.000 2.095 165 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 165 F C 1.944 177.458 175.800 -0.477 0.000 1.104 165 F CA 1.828 59.555 58.000 -0.454 0.000 1.232 165 F CB -0.570 38.166 39.000 -0.440 0.000 0.987 165 F HN 0.212 nan 8.300 nan 0.000 0.475 166 F N 0.270 120.113 119.950 -0.178 0.000 2.234 166 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 166 F C 2.295 177.908 175.800 -0.311 0.000 1.087 166 F CA 1.066 58.943 58.000 -0.205 0.000 1.340 166 F CB -0.517 38.553 39.000 0.116 0.000 1.031 166 F HN -0.028 nan 8.300 nan 0.000 0.500 167 I N -0.528 119.829 120.570 -0.356 0.000 2.179 167 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 167 I C 2.230 178.107 176.117 -0.401 0.000 1.088 167 I CA 1.055 61.962 61.300 -0.655 0.000 1.357 167 I CB -0.469 37.229 38.000 -0.504 0.000 1.051 167 I HN -0.081 nan 8.210 nan 0.000 0.409 168 V N 0.513 120.149 119.914 -0.463 0.000 2.358 168 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 168 V C 2.438 178.252 176.094 -0.466 0.000 1.047 168 V CA 2.011 64.022 62.300 -0.482 0.000 1.035 168 V CB -0.700 30.663 31.823 -0.766 0.000 0.658 168 V HN 0.495 nan 8.190 nan 0.000 0.452 169 E N 0.608 120.420 120.200 -0.646 0.000 2.085 169 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 169 E C 2.276 178.764 176.600 -0.186 0.000 0.994 169 E CA 1.551 57.647 56.400 -0.507 0.000 0.801 169 E CB -0.435 28.857 29.700 -0.681 0.000 0.743 169 E HN 0.570 nan 8.360 nan 0.000 0.453 170 G N 1.658 110.386 108.800 -0.119 0.000 2.402 170 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.216 170 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.216 170 G C 1.575 176.445 174.900 -0.050 0.000 1.162 170 G CA 0.689 45.781 45.100 -0.013 0.000 0.777 170 G HN 0.325 nan 8.290 nan 0.000 0.539 171 L N -0.995 120.162 121.223 -0.110 0.000 1.994 171 L HA -0.068 4.272 4.340 -0.000 0.000 0.208 171 L C 2.583 179.367 176.870 -0.142 0.000 1.071 171 L CA 1.942 56.682 54.840 -0.166 0.000 0.745 171 L CB -0.392 41.524 42.059 -0.238 0.000 0.892 171 L HN 0.337 nan 8.230 nan 0.000 0.431 172 Y N -0.080 120.088 120.300 -0.219 0.000 2.081 172 Y HA -0.370 4.180 4.550 -0.000 0.000 0.280 172 Y C 2.530 178.352 175.900 -0.130 0.000 1.163 172 Y CA 2.314 60.313 58.100 -0.169 0.000 1.135 172 Y CB -0.111 38.244 38.460 -0.175 0.000 0.970 172 Y HN 0.174 nan 8.280 nan 0.000 0.498 173 M N -0.197 119.451 119.600 0.080 0.000 2.086 173 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 173 M C 2.291 178.527 176.300 -0.107 0.000 1.067 173 M CA 1.716 57.018 55.300 0.003 0.000 1.116 173 M CB -1.269 31.367 32.600 0.060 0.000 1.348 173 M HN 0.217 nan 8.290 nan 0.000 0.407 174 R N 0.522 120.962 120.500 -0.101 0.000 2.075 174 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 174 R C 2.024 178.225 176.300 -0.165 0.000 1.126 174 R CA 1.337 57.371 56.100 -0.110 0.000 0.963 174 R CB -1.021 29.226 30.300 -0.088 0.000 0.858 174 R HN 0.229 nan 8.270 nan 0.000 0.435 175 V N 1.176 120.951 119.914 -0.231 0.000 2.427 175 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 175 V C 2.407 178.335 176.094 -0.276 0.000 1.051 175 V CA 1.833 63.965 62.300 -0.279 0.000 1.048 175 V CB -0.470 31.137 31.823 -0.360 0.000 0.666 175 V HN 0.306 nan 8.190 nan 0.000 0.456 176 R N -0.115 120.179 120.500 -0.344 0.000 2.092 176 R HA -0.184 4.156 4.340 -0.000 0.000 0.231 176 R C 2.320 178.503 176.300 -0.195 0.000 1.119 176 R CA 1.605 57.507 56.100 -0.330 0.000 0.970 176 R CB -0.310 29.692 30.300 -0.497 0.000 0.864 176 R HN 0.658 nan 8.270 nan 0.000 0.440 177 E N 0.884 120.987 120.200 -0.160 0.000 2.077 177 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 177 E C 1.877 178.424 176.600 -0.088 0.000 0.989 177 E CA 1.170 57.509 56.400 -0.101 0.000 0.800 177 E CB 0.195 29.849 29.700 -0.078 0.000 0.746 177 E HN 0.270 nan 8.360 nan 0.000 0.452 178 R N -0.531 119.907 120.500 -0.103 0.000 2.128 178 R HA 0.146 4.486 4.340 -0.000 0.000 0.211 178 R C 2.273 178.523 176.300 -0.085 0.000 1.067 178 R CA 0.528 56.578 56.100 -0.083 0.000 1.010 178 R CB 0.185 30.438 30.300 -0.078 0.000 0.922 178 R HN 0.213 nan 8.270 nan 0.000 0.457 179 L N 0.269 121.424 121.223 -0.113 0.000 2.590 179 L HA 0.173 4.513 4.340 -0.000 0.000 0.227 179 L C 0.064 176.877 176.870 -0.096 0.000 1.099 179 L CA -0.086 54.695 54.840 -0.099 0.000 0.872 179 L CB 0.066 42.056 42.059 -0.115 0.000 1.088 179 L HN 0.205 nan 8.230 nan 0.000 0.479 180 N N 1.074 119.708 118.700 -0.110 0.000 2.753 180 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 180 N C 0.226 175.685 175.510 -0.086 0.000 1.097 180 N CA 1.214 54.208 53.050 -0.094 0.000 0.786 180 N CB -1.338 37.109 38.487 -0.068 0.000 1.137 180 N HN 0.515 nan 8.380 nan 0.000 0.566 181 I N -2.234 118.278 120.570 -0.097 0.000 3.079 181 I HA 0.231 4.401 4.170 -0.000 0.000 0.295 181 I C 0.703 176.790 176.117 -0.049 0.000 1.094 181 I CA -0.214 61.056 61.300 -0.051 0.000 1.295 181 I CB 0.548 38.535 38.000 -0.021 0.000 1.443 181 I HN -0.168 nan 8.210 nan 0.000 0.607 182 T N 3.683 118.242 114.554 0.007 0.000 2.749 182 T HA 0.384 4.734 4.350 -0.000 0.000 0.295 182 T C -0.141 174.568 174.700 0.015 0.000 0.936 182 T CA -0.302 61.803 62.100 0.009 0.000 1.060 182 T CB 0.823 69.706 68.868 0.024 0.000 0.904 182 T HN 0.394 nan 8.240 nan 0.000 0.500 183 V N 5.998 125.932 119.914 0.033 0.000 2.304 183 V HA 0.310 4.430 4.120 -0.000 0.000 0.278 183 V C 0.150 176.369 176.094 0.208 0.000 1.018 183 V CA -1.169 61.196 62.300 0.109 0.000 0.814 183 V CB 0.850 32.713 31.823 0.067 0.000 1.021 183 V HN 0.757 nan 8.190 nan 0.000 0.440 184 N N 3.668 122.425 118.700 0.095 0.000 2.530 184 N HA 0.482 5.222 4.740 -0.000 0.000 0.277 184 N C -0.421 175.153 175.510 0.106 0.000 1.168 184 N CA -0.168 52.880 53.050 -0.004 0.000 0.979 184 N CB 1.379 39.827 38.487 -0.066 0.000 1.141 184 N HN 0.934 nan 8.380 nan 0.000 0.459 185 H N -1.658 117.490 119.070 0.131 0.000 2.980 185 H HA 0.646 5.202 4.556 -0.000 0.000 0.367 185 H C -1.339 174.086 175.328 0.162 0.000 1.206 185 H CA -1.022 55.143 56.048 0.195 0.000 1.126 185 H CB 1.315 31.208 29.762 0.218 0.000 1.838 185 H HN 0.303 nan 8.280 nan 0.000 0.552 186 Q N 0.680 120.693 119.800 0.356 0.000 2.313 186 Q HA 0.242 4.582 4.340 -0.000 0.000 0.255 186 Q C -1.529 174.403 176.000 -0.113 0.000 0.944 186 Q CA -0.563 55.315 55.803 0.125 0.000 0.881 186 Q CB 1.967 30.746 28.738 0.068 0.000 1.375 186 Q HN 0.817 nan 8.270 nan 0.000 0.422 187 E N 3.474 123.456 120.200 -0.363 0.000 2.280 187 E HA 0.712 5.062 4.350 -0.000 0.000 0.264 187 E C -1.051 175.456 176.600 -0.155 0.000 1.064 187 E CA -0.571 55.389 56.400 -0.733 0.000 0.900 187 E CB 0.689 29.962 29.700 -0.712 0.000 1.123 187 E HN 0.514 nan 8.360 nan 0.000 0.418 188 F N -0.615 119.164 119.950 -0.285 0.000 2.711 188 F HA 0.566 5.093 4.527 -0.000 0.000 0.313 188 F C -1.900 173.962 175.800 0.104 0.000 1.141 188 F CA -1.216 56.736 58.000 -0.080 0.000 0.941 188 F CB 0.972 39.966 39.000 -0.009 0.000 1.349 188 F HN 0.107 nan 8.300 nan 0.000 0.464 189 V N 2.212 122.426 119.914 0.500 0.000 2.384 189 V HA 0.235 4.355 4.120 -0.000 0.000 0.287 189 V C 0.645 176.804 176.094 0.109 0.000 1.020 189 V CA -0.325 62.038 62.300 0.105 0.000 0.850 189 V CB 1.093 32.951 31.823 0.059 0.000 0.987 189 V HN 0.968 nan 8.190 nan 0.000 0.436 190 E N 3.974 124.158 120.200 -0.026 0.000 2.049 190 E HA -0.200 4.150 4.350 -0.000 0.000 0.198 190 E C 1.958 178.568 176.600 0.018 0.000 1.007 190 E CA 1.561 58.014 56.400 0.087 0.000 0.809 190 E CB -0.015 29.705 29.700 0.032 0.000 0.749 190 E HN 0.913 nan 8.360 nan 0.000 0.450 191 G N 0.674 109.453 108.800 -0.035 0.000 3.061 191 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.208 191 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.208 191 G C -0.129 174.688 174.900 -0.139 0.000 1.175 191 G CA -0.099 44.961 45.100 -0.068 0.000 0.812 191 G HN 0.020 nan 8.290 nan 0.000 0.523 192 D N -0.187 120.082 120.400 -0.219 0.000 2.427 192 D HA 0.340 4.980 4.640 -0.000 0.000 0.226 192 D C -1.584 174.484 176.300 -0.386 0.000 1.076 192 D CA -2.376 51.433 54.000 -0.320 0.000 0.849 192 D CB 1.947 42.433 40.800 -0.523 0.000 1.052 192 D HN -0.097 nan 8.370 nan 0.000 0.515 193 P HA -0.074 nan 4.420 nan 0.000 0.221 193 P C 0.531 177.748 177.300 -0.139 0.000 1.145 193 P CA 0.714 63.650 63.100 -0.274 0.000 0.795 193 P CB 0.421 32.087 31.700 -0.058 0.000 0.775 194 D N -2.138 118.185 120.400 -0.129 0.000 2.265 194 D HA -0.152 4.488 4.640 -0.000 0.000 0.208 194 D C 1.423 177.791 176.300 0.113 0.000 0.977 194 D CA 1.070 55.059 54.000 -0.018 0.000 0.871 194 D CB -0.514 40.263 40.800 -0.039 0.000 0.925 194 D HN 0.450 nan 8.370 nan 0.000 0.485 195 H N -1.828 117.194 119.070 -0.080 0.000 2.551 195 H HA 0.011 4.567 4.556 -0.000 0.000 0.266 195 H C 1.106 176.410 175.328 -0.040 0.000 0.964 195 H CA -0.132 55.885 56.048 -0.052 0.000 1.180 195 H CB 0.374 30.129 29.762 -0.011 0.000 1.408 195 H HN 0.150 nan 8.280 nan 0.000 0.563 196 Y N 1.033 121.348 120.300 0.025 0.000 2.128 196 Y HA -0.120 4.430 4.550 -0.000 0.000 0.284 196 Y C -0.474 175.382 175.900 -0.073 0.000 1.154 196 Y CA 0.499 58.555 58.100 -0.073 0.000 1.149 196 Y CB -1.537 36.882 38.460 -0.067 0.000 0.976 196 Y HN 0.237 nan 8.280 nan 0.000 0.505 197 P HA -0.199 nan 4.420 nan 0.000 0.215 197 P C 1.367 178.680 177.300 0.023 0.000 1.153 197 P CA 2.534 65.666 63.100 0.053 0.000 0.853 197 P CB -0.170 31.561 31.700 0.051 0.000 0.788 198 K N -0.126 120.287 120.400 0.022 0.000 2.097 198 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 198 K C 1.949 178.531 176.600 -0.031 0.000 1.050 198 K CA 1.307 57.587 56.287 -0.012 0.000 0.938 198 K CB -1.090 31.389 32.500 -0.036 0.000 0.718 198 K HN 0.130 nan 8.250 nan 0.000 0.442 199 L N 0.827 122.020 121.223 -0.050 0.000 2.027 199 L HA -0.128 4.212 4.340 -0.000 0.000 0.206 199 L C 2.570 179.405 176.870 -0.059 0.000 1.074 199 L CA 0.655 55.439 54.840 -0.093 0.000 0.745 199 L CB -0.455 41.474 42.059 -0.217 0.000 0.898 199 L HN 0.203 nan 8.230 nan 0.000 0.433 200 L N -0.037 121.151 121.223 -0.059 0.000 2.141 200 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 200 L C 2.690 179.545 176.870 -0.024 0.000 1.094 200 L CA 1.574 56.374 54.840 -0.066 0.000 0.763 200 L CB -1.035 40.967 42.059 -0.095 0.000 0.908 200 L HN 0.362 nan 8.230 nan 0.000 0.437 201 R N -0.023 120.470 120.500 -0.012 0.000 2.075 201 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 201 R C 2.299 178.610 176.300 0.019 0.000 1.126 201 R CA 1.355 57.459 56.100 0.006 0.000 0.963 201 R CB -0.008 30.293 30.300 0.002 0.000 0.858 201 R HN 0.269 nan 8.270 nan 0.000 0.435 202 A N 0.340 123.166 122.820 0.009 0.000 1.902 202 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 202 A C 2.245 179.861 177.584 0.054 0.000 1.181 202 A CA 1.526 53.572 52.037 0.014 0.000 0.623 202 A CB -0.578 18.426 19.000 0.008 0.000 0.818 202 A HN 0.221 nan 8.150 nan 0.000 0.443 203 V N -0.130 119.832 119.914 0.081 0.000 2.287 203 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 203 V C 2.661 178.904 176.094 0.248 0.000 1.053 203 V CA 2.426 64.825 62.300 0.166 0.000 1.027 203 V CB -0.763 31.143 31.823 0.138 0.000 0.646 203 V HN 0.636 nan 8.190 nan 0.000 0.447 204 R N -0.479 120.122 120.500 0.168 0.000 2.081 204 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 204 R C 2.377 178.813 176.300 0.226 0.000 1.131 204 R CA 1.292 57.524 56.100 0.221 0.000 0.960 204 R CB -0.006 30.364 30.300 0.118 0.000 0.856 204 R HN 0.310 nan 8.270 nan 0.000 0.436 205 R N -0.467 120.112 120.500 0.132 0.000 2.282 205 R HA 0.112 4.452 4.340 -0.000 0.000 0.195 205 R C 1.094 177.348 176.300 -0.077 0.000 0.909 205 R CA 0.437 56.592 56.100 0.091 0.000 1.039 205 R CB 0.444 30.769 30.300 0.041 0.000 1.015 205 R HN 0.053 nan 8.270 nan 0.000 0.513 206 K N 0.013 120.342 120.400 -0.119 0.000 2.358 206 K HA 0.309 4.629 4.320 -0.000 0.000 0.200 206 K C 0.618 176.972 176.600 -0.410 0.000 1.030 206 K CA 0.228 56.324 56.287 -0.317 0.000 1.097 206 K CB 1.685 34.093 32.500 -0.153 0.000 0.862 206 K HN 0.189 nan 8.250 nan 0.000 0.534 207 G N -0.079 108.620 108.800 -0.168 0.000 2.466 207 G HA2 0.303 4.263 3.960 -0.000 0.000 0.291 207 G HA3 0.303 4.263 3.960 -0.000 0.000 0.291 207 G C -0.368 174.617 174.900 0.142 0.000 1.460 207 G CA -0.520 44.580 45.100 -0.000 0.000 0.791 207 G HN -0.157 nan 8.290 nan 0.000 0.505 208 R N -1.243 119.252 120.500 -0.008 0.000 2.470 208 R HA 0.254 4.594 4.340 -0.000 0.000 0.210 208 R C 0.457 176.531 176.300 -0.378 0.000 0.873 208 R CA 0.223 56.124 56.100 -0.331 0.000 1.015 208 R CB 0.619 30.660 30.300 -0.432 0.000 1.348 208 R HN 0.309 nan 8.270 nan 0.000 0.650 209 V N 3.629 123.310 119.914 -0.388 0.000 2.348 209 V HA 0.376 4.496 4.120 -0.000 0.000 0.270 209 V C 0.095 176.033 176.094 -0.259 0.000 1.037 209 V CA -0.240 61.739 62.300 -0.536 0.000 0.872 209 V CB 1.077 32.375 31.823 -0.875 0.000 1.002 209 V HN 0.036 nan 8.190 nan 0.000 0.464 210 I N 5.508 125.920 120.570 -0.264 0.000 2.433 210 I HA 0.494 4.664 4.170 -0.000 0.000 0.292 210 I C -1.024 175.098 176.117 0.009 0.000 1.001 210 I CA -0.667 60.612 61.300 -0.036 0.000 1.119 210 I CB 1.861 39.886 38.000 0.042 0.000 1.289 210 I HN 0.426 nan 8.210 nan 0.000 0.438 211 Y N 6.000 126.500 120.300 0.334 0.000 2.377 211 Y HA 0.651 5.201 4.550 -0.000 0.000 0.339 211 Y C -0.134 175.996 175.900 0.384 0.000 1.011 211 Y CA -0.706 57.620 58.100 0.376 0.000 1.093 211 Y CB 1.771 40.377 38.460 0.243 0.000 1.201 211 Y HN 0.285 nan 8.280 nan 0.000 0.455 212 I N 3.073 123.985 120.570 0.569 0.000 2.478 212 I HA 0.278 4.448 4.170 -0.000 0.000 0.287 212 I C -1.192 175.231 176.117 0.510 0.000 1.042 212 I CA -0.617 61.009 61.300 0.544 0.000 1.067 212 I CB 1.652 40.018 38.000 0.610 0.000 1.233 212 I HN 0.580 nan 8.210 nan 0.000 0.431 213 c N 6.602 125.471 118.600 0.447 0.000 2.271 213 c HA 0.836 5.406 4.570 -0.000 0.000 0.323 213 c C 0.298 174.594 174.090 0.344 0.000 1.245 213 c CA 0.048 56.584 56.329 0.346 0.000 1.548 213 c CB -0.801 41.842 42.510 0.221 0.000 2.214 213 c HN 0.947 nan 8.230 nan 0.000 0.477 214 S N 3.487 119.412 115.700 0.375 0.000 2.683 214 S HA 0.632 5.102 4.470 -0.000 0.000 0.269 214 S C -0.508 174.295 174.600 0.339 0.000 1.165 214 S CA -0.179 58.200 58.200 0.297 0.000 0.840 214 S CB 0.597 64.031 63.200 0.391 0.000 1.169 214 S HN 1.449 nan 8.310 nan 0.000 0.490 215 S N 0.243 116.089 115.700 0.245 0.000 2.600 215 S HA 0.457 4.927 4.470 -0.000 0.000 0.265 215 S C -2.005 172.754 174.600 0.266 0.000 1.325 215 S CA -0.627 57.710 58.200 0.227 0.000 1.002 215 S CB -0.039 63.255 63.200 0.157 0.000 0.921 215 S HN 0.516 nan 8.310 nan 0.000 0.554 216 P HA -0.070 nan 4.420 nan 0.000 0.215 216 P C 0.681 178.114 177.300 0.221 0.000 1.153 216 P CA 1.226 64.488 63.100 0.270 0.000 0.853 216 P CB -0.039 31.775 31.700 0.190 0.000 0.788 217 D N -0.954 119.549 120.400 0.171 0.000 2.144 217 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 217 D C 1.975 178.376 176.300 0.169 0.000 0.978 217 D CA 1.371 55.462 54.000 0.152 0.000 0.833 217 D CB -0.755 40.113 40.800 0.114 0.000 0.961 217 D HN 0.057 nan 8.370 nan 0.000 0.470 218 A N 0.178 123.117 122.820 0.199 0.000 1.930 218 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 218 A C 2.045 179.739 177.584 0.183 0.000 1.175 218 A CA 0.730 52.912 52.037 0.243 0.000 0.627 218 A CB -0.870 18.340 19.000 0.351 0.000 0.815 218 A HN 0.241 nan 8.150 nan 0.000 0.443 219 F N 0.550 120.488 119.950 -0.021 0.000 2.146 219 F HA -0.114 4.413 4.527 -0.000 0.000 0.298 219 F C 2.322 178.048 175.800 -0.124 0.000 1.096 219 F CA 1.900 59.783 58.000 -0.195 0.000 1.275 219 F CB -0.216 38.405 39.000 -0.632 0.000 1.008 219 F HN 0.198 nan 8.300 nan 0.000 0.480 220 R N 0.292 120.853 120.500 0.101 0.000 2.081 220 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 220 R C 2.035 178.323 176.300 -0.021 0.000 1.131 220 R CA 1.774 57.979 56.100 0.174 0.000 0.960 220 R CB -0.386 30.091 30.300 0.296 0.000 0.856 220 R HN 0.260 nan 8.270 nan 0.000 0.436 221 N N 0.748 119.438 118.700 -0.017 0.000 2.120 221 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 221 N C 1.845 177.209 175.510 -0.244 0.000 1.024 221 N CA 1.153 54.160 53.050 -0.073 0.000 0.852 221 N CB -0.231 38.300 38.487 0.073 0.000 1.003 221 N HN 0.253 nan 8.380 nan 0.000 0.424 222 L N 0.203 121.260 121.223 -0.277 0.000 2.083 222 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 222 L C 2.209 178.717 176.870 -0.604 0.000 1.083 222 L CA 0.789 55.373 54.840 -0.428 0.000 0.752 222 L CB -0.273 41.542 42.059 -0.407 0.000 0.899 222 L HN 0.140 nan 8.230 nan 0.000 0.433 223 M N -0.586 118.587 119.600 -0.712 0.000 2.132 223 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 223 M C 2.376 178.425 176.300 -0.418 0.000 1.065 223 M CA 1.724 56.574 55.300 -0.750 0.000 1.122 223 M CB -1.005 31.123 32.600 -0.786 0.000 1.365 223 M HN 0.229 nan 8.290 nan 0.000 0.411 224 L N -0.320 120.744 121.223 -0.265 0.000 2.042 224 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 224 L C 2.452 179.182 176.870 -0.234 0.000 1.076 224 L CA 1.022 55.753 54.840 -0.182 0.000 0.749 224 L CB -0.632 41.355 42.059 -0.121 0.000 0.893 224 L HN 0.257 nan 8.230 nan 0.000 0.432 225 L N -0.824 120.211 121.223 -0.314 0.000 2.056 225 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 225 L C 2.875 179.570 176.870 -0.292 0.000 1.078 225 L CA 1.071 55.718 54.840 -0.322 0.000 0.749 225 L CB -0.696 41.103 42.059 -0.434 0.000 0.901 225 L HN 0.237 nan 8.230 nan 0.000 0.433 226 A N 0.176 122.777 122.820 -0.365 0.000 1.883 226 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 226 A C 2.214 179.651 177.584 -0.246 0.000 1.186 226 A CA 1.942 53.767 52.037 -0.352 0.000 0.624 226 A CB -0.795 17.857 19.000 -0.579 0.000 0.822 226 A HN 0.340 nan 8.150 nan 0.000 0.444 227 L N 0.914 122.002 121.223 -0.225 0.000 2.012 227 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 227 L C 2.105 178.906 176.870 -0.114 0.000 1.073 227 L CA 2.651 57.409 54.840 -0.137 0.000 0.748 227 L CB -0.833 41.157 42.059 -0.115 0.000 0.891 227 L HN 0.573 nan 8.230 nan 0.000 0.431 228 N N -0.079 118.544 118.700 -0.130 0.000 2.289 228 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 228 N C 1.419 176.872 175.510 -0.095 0.000 1.016 228 N CA 1.196 54.182 53.050 -0.105 0.000 0.872 228 N CB 0.014 38.432 38.487 -0.115 0.000 0.973 228 N HN 0.522 nan 8.380 nan 0.000 0.433 229 A N -0.243 122.508 122.820 -0.115 0.000 2.278 229 A HA 0.358 4.678 4.320 -0.000 0.000 0.212 229 A C 1.304 178.845 177.584 -0.071 0.000 1.213 229 A CA 0.634 52.615 52.037 -0.093 0.000 0.840 229 A CB -0.568 18.365 19.000 -0.113 0.000 0.866 229 A HN 0.418 nan 8.150 nan 0.000 0.489 230 G N -0.765 107.995 108.800 -0.067 0.000 2.160 230 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.251 230 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.251 230 G C -0.010 174.873 174.900 -0.028 0.000 1.008 230 G CA 0.343 45.423 45.100 -0.033 0.000 0.724 230 G HN 0.541 nan 8.290 nan 0.000 0.514 231 L N 2.058 123.217 121.223 -0.106 0.000 2.270 231 L HA 0.567 4.907 4.340 -0.000 0.000 0.286 231 L C 0.988 177.822 176.870 -0.061 0.000 1.059 231 L CA 0.028 54.734 54.840 -0.223 0.000 0.839 231 L CB 0.714 42.436 42.059 -0.562 0.000 1.221 231 L HN 0.391 nan 8.230 nan 0.000 0.431 232 T N -1.660 112.961 114.554 0.111 0.000 2.883 232 T HA 0.398 4.748 4.350 -0.000 0.000 0.284 232 T C 1.251 176.087 174.700 0.227 0.000 1.041 232 T CA -0.079 62.114 62.100 0.155 0.000 1.007 232 T CB 1.671 70.598 68.868 0.098 0.000 1.220 232 T HN 0.445 nan 8.240 nan 0.000 0.552 233 G N -0.278 108.636 108.800 0.190 0.000 2.516 233 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.221 233 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.221 233 G C 1.004 175.973 174.900 0.115 0.000 1.107 233 G CA 0.887 46.096 45.100 0.182 0.000 0.747 233 G HN 0.872 nan 8.290 nan 0.000 0.567 234 E N 0.159 120.406 120.200 0.078 0.000 2.112 234 E HA -0.019 4.331 4.350 -0.000 0.000 0.190 234 E C 1.584 178.184 176.600 0.001 0.000 0.979 234 E CA 1.148 57.552 56.400 0.007 0.000 0.814 234 E CB 0.129 29.835 29.700 0.009 0.000 0.762 234 E HN 0.407 nan 8.360 nan 0.000 0.460 235 D N -1.296 119.129 120.400 0.040 0.000 2.423 235 D HA 0.046 4.686 4.640 -0.000 0.000 0.212 235 D C -0.230 175.885 176.300 -0.307 0.000 1.060 235 D CA 0.388 54.318 54.000 -0.116 0.000 0.872 235 D CB 0.633 41.362 40.800 -0.119 0.000 1.012 235 D HN 0.091 nan 8.370 nan 0.000 0.503 236 Y N 0.054 120.278 120.300 -0.125 0.000 2.570 236 Y HA 0.500 5.050 4.550 -0.000 0.000 0.345 236 Y C -0.295 175.416 175.900 -0.315 0.000 1.014 236 Y CA -1.142 56.773 58.100 -0.308 0.000 1.063 236 Y CB 2.533 40.726 38.460 -0.446 0.000 1.272 236 Y HN -0.369 nan 8.280 nan 0.000 0.477 237 V N 3.404 123.100 119.914 -0.364 0.000 2.668 237 V HA 0.576 4.696 4.120 -0.000 0.000 0.304 237 V C -2.000 173.750 176.094 -0.574 0.000 1.071 237 V CA -0.908 61.218 62.300 -0.289 0.000 0.894 237 V CB 1.077 32.884 31.823 -0.027 0.000 1.008 237 V HN 0.588 nan 8.190 nan 0.000 0.425 238 F N 6.942 126.797 119.950 -0.160 0.000 2.375 238 F HA 0.614 5.141 4.527 -0.000 0.000 0.361 238 F C -0.322 175.447 175.800 -0.051 0.000 1.117 238 F CA -0.549 57.421 58.000 -0.050 0.000 1.037 238 F CB 1.388 40.395 39.000 0.012 0.000 1.192 238 F HN 0.351 nan 8.300 nan 0.000 0.452 239 F N 2.131 122.213 119.950 0.220 0.000 2.405 239 F HA 0.242 4.769 4.527 -0.000 0.000 0.355 239 F C 0.546 176.504 175.800 0.262 0.000 1.121 239 F CA -0.631 57.493 58.000 0.207 0.000 1.112 239 F CB 0.712 39.757 39.000 0.075 0.000 1.126 239 F HN 0.472 nan 8.300 nan 0.000 0.481 240 H N 4.990 124.066 119.070 0.009 0.000 2.723 240 H HA 0.358 4.914 4.556 -0.000 0.000 0.294 240 H C -0.623 174.691 175.328 -0.023 0.000 1.079 240 H CA -0.759 55.062 56.048 -0.378 0.000 1.411 240 H CB 0.727 29.726 29.762 -1.272 0.000 1.439 240 H HN 0.571 nan 8.280 nan 0.000 0.474 241 L N 6.014 127.351 121.223 0.191 0.000 2.385 241 L HA 0.052 4.392 4.340 -0.000 0.000 0.285 241 L C -0.028 176.721 176.870 -0.201 0.000 1.125 241 L CA 0.069 54.942 54.840 0.055 0.000 0.890 241 L CB 0.201 42.334 42.059 0.124 0.000 1.251 241 L HN 0.682 nan 8.230 nan 0.000 0.445 242 D N 2.204 122.378 120.400 -0.377 0.000 2.613 242 D HA 0.094 4.734 4.640 -0.000 0.000 0.312 242 D C 1.069 177.172 176.300 -0.328 0.000 1.202 242 D CA -0.399 53.314 54.000 -0.478 0.000 0.825 242 D CB 0.956 41.248 40.800 -0.847 0.000 1.113 242 D HN 0.225 nan 8.370 nan 0.000 0.502 243 V N -0.209 119.468 119.914 -0.395 0.000 2.380 243 V HA -0.134 3.986 4.120 -0.000 0.000 0.251 243 V C 1.484 177.124 176.094 -0.757 0.000 1.063 243 V CA 1.362 63.180 62.300 -0.805 0.000 1.055 243 V CB -1.110 29.927 31.823 -1.310 0.000 0.657 243 V HN 0.304 nan 8.190 nan 0.000 0.455 244 F N 1.903 121.770 119.950 -0.137 0.000 2.664 244 F HA 0.582 5.109 4.527 -0.000 0.000 0.301 244 F C 1.846 177.636 175.800 -0.016 0.000 1.126 244 F CA 0.303 58.318 58.000 0.024 0.000 1.373 244 F CB -0.205 38.854 39.000 0.099 0.000 1.042 244 F HN 0.380 nan 8.300 nan 0.000 0.535 245 G N 1.142 109.943 108.800 0.002 0.000 2.356 245 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.296 245 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.296 245 G C 0.862 175.723 174.900 -0.064 0.000 1.022 245 G CA 0.372 45.416 45.100 -0.094 0.000 0.961 245 G HN 0.487 nan 8.290 nan 0.000 0.510 246 Q N -0.121 119.666 119.800 -0.022 0.000 2.291 246 Q HA -0.033 4.307 4.340 -0.000 0.000 0.205 246 Q C 2.710 178.695 176.000 -0.024 0.000 0.970 246 Q CA 1.518 57.325 55.803 0.007 0.000 0.876 246 Q CB -0.035 28.737 28.738 0.056 0.000 0.935 246 Q HN 0.866 nan 8.270 nan 0.000 0.455 247 S N -0.688 114.973 115.700 -0.065 0.000 2.562 247 S HA 0.111 4.581 4.470 -0.000 0.000 0.221 247 S C 0.603 175.111 174.600 -0.154 0.000 0.975 247 S CA -0.136 58.036 58.200 -0.047 0.000 0.918 247 S CB 0.099 63.322 63.200 0.039 0.000 0.772 247 S HN 0.105 nan 8.310 nan 0.000 0.531 248 L N 1.142 122.237 121.223 -0.213 0.000 2.330 248 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 248 L C 0.033 176.813 176.870 -0.150 0.000 1.013 248 L CA -0.978 53.701 54.840 -0.269 0.000 0.816 248 L CB 1.568 43.326 42.059 -0.502 0.000 1.287 248 L HN -0.055 nan 8.230 nan 0.000 0.435 249 K N 0.682 121.010 120.400 -0.120 0.000 2.144 249 K HA 0.427 4.747 4.320 -0.000 0.000 0.270 249 K C -0.525 176.070 176.600 -0.008 0.000 1.005 249 K CA -0.324 55.929 56.287 -0.056 0.000 0.932 249 K CB 1.714 34.183 32.500 -0.052 0.000 1.021 249 K HN 0.456 nan 8.250 nan 0.000 0.462 250 S N 0.128 115.838 115.700 0.017 0.000 2.664 250 S HA 0.523 4.993 4.470 -0.000 0.000 0.304 250 S C -0.632 174.003 174.600 0.058 0.000 1.099 250 S CA 0.214 58.450 58.200 0.061 0.000 1.003 250 S CB 1.275 64.519 63.200 0.072 0.000 1.092 250 S HN 0.738 nan 8.310 nan 0.000 0.525 251 A N 2.129 124.997 122.820 0.081 0.000 2.640 251 A HA -0.149 4.171 4.320 -0.000 0.000 0.300 251 A C 1.049 178.665 177.584 0.053 0.000 1.499 251 A CA 0.977 53.053 52.037 0.064 0.000 0.759 251 A CB -1.648 17.376 19.000 0.039 0.000 1.048 251 A HN 0.702 nan 8.150 nan 0.000 0.450 252 Q N -0.994 118.848 119.800 0.069 0.000 2.424 252 Q HA 0.261 4.601 4.340 -0.000 0.000 0.204 252 Q C 1.911 177.945 176.000 0.057 0.000 0.933 252 Q CA 1.527 57.364 55.803 0.056 0.000 0.929 252 Q CB -0.053 28.724 28.738 0.065 0.000 1.037 252 Q HN 1.896 nan 8.270 nan 0.000 0.511 253 G N 1.331 110.171 108.800 0.066 0.000 2.596 253 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.304 253 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.304 253 G C 0.478 175.416 174.900 0.064 0.000 1.189 253 G CA 0.418 45.553 45.100 0.058 0.000 0.986 253 G HN 0.339 nan 8.290 nan 0.000 0.548 254 L N 1.220 122.473 121.223 0.051 0.000 2.592 254 L HA 0.354 4.694 4.340 -0.000 0.000 0.227 254 L C 1.585 178.486 176.870 0.052 0.000 1.127 254 L CA 0.335 55.207 54.840 0.053 0.000 0.884 254 L CB 0.250 42.334 42.059 0.042 0.000 1.065 254 L HN 0.373 nan 8.230 nan 0.000 0.457 255 V N 1.984 121.925 119.914 0.045 0.000 2.485 255 V HA 0.083 4.203 4.120 -0.000 0.000 0.287 255 V C -1.738 174.385 176.094 0.048 0.000 1.022 255 V CA -1.243 61.077 62.300 0.034 0.000 1.067 255 V CB -0.026 31.807 31.823 0.017 0.000 0.967 255 V HN 0.183 nan 8.190 nan 0.000 0.479 256 P HA 0.111 nan 4.420 nan 0.000 0.269 256 P C -0.512 176.811 177.300 0.038 0.000 1.209 256 P CA -0.183 62.956 63.100 0.065 0.000 0.776 256 P CB 0.361 32.098 31.700 0.062 0.000 0.876 257 Q N 2.409 122.264 119.800 0.092 0.000 2.294 257 Q HA 0.208 4.548 4.340 -0.000 0.000 0.257 257 Q C -0.249 175.727 176.000 -0.039 0.000 0.955 257 Q CA 0.140 55.961 55.803 0.031 0.000 0.936 257 Q CB 1.200 30.012 28.738 0.124 0.000 1.188 257 Q HN 0.389 nan 8.270 nan 0.000 0.420 258 K N 3.870 124.089 120.400 -0.303 0.000 2.679 258 K HA 0.218 4.538 4.320 -0.000 0.000 0.188 258 K C -1.781 174.272 176.600 -0.911 0.000 1.055 258 K CA -1.415 54.407 56.287 -0.775 0.000 1.006 258 K CB 1.531 33.376 32.500 -1.091 0.000 1.317 258 K HN 0.262 nan 8.250 nan 0.000 0.584 259 P HA -0.184 nan 4.420 nan 0.000 0.219 259 P C 0.744 177.703 177.300 -0.567 0.000 1.146 259 P CA 1.094 63.901 63.100 -0.488 0.000 0.808 259 P CB -0.033 31.448 31.700 -0.365 0.000 0.779 260 W N 0.516 121.377 121.300 -0.732 0.000 2.937 260 W HA 0.244 4.904 4.660 -0.000 0.000 0.245 260 W C 0.304 176.581 176.519 -0.403 0.000 1.306 260 W CA -0.390 56.386 57.345 -0.948 0.000 1.470 260 W CB -1.114 27.598 29.460 -1.247 0.000 1.132 260 W HN 0.057 nan 8.180 nan 0.000 0.675 261 E N 1.768 121.634 120.200 -0.557 0.000 2.289 261 E HA 0.110 4.460 4.350 -0.000 0.000 0.278 261 E C 0.843 177.345 176.600 -0.163 0.000 1.032 261 E CA -0.069 56.128 56.400 -0.338 0.000 0.854 261 E CB 0.703 30.023 29.700 -0.633 0.000 1.046 261 E HN -0.149 nan 8.360 nan 0.000 0.409 262 R N 2.345 122.816 120.500 -0.048 0.000 2.637 262 R HA 0.144 4.484 4.340 -0.000 0.000 0.262 262 R C 0.547 176.840 176.300 -0.012 0.000 0.959 262 R CA 0.571 56.652 56.100 -0.031 0.000 1.061 262 R CB 0.795 31.093 30.300 -0.003 0.000 1.610 262 R HN 0.798 nan 8.270 nan 0.000 0.548 263 G N 3.422 112.225 108.800 0.006 0.000 2.273 263 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.280 263 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.280 263 G C 0.043 174.951 174.900 0.013 0.000 1.047 263 G CA 0.869 45.976 45.100 0.011 0.000 0.869 263 G HN 0.462 nan 8.290 nan 0.000 0.502 264 D N -1.143 119.268 120.400 0.019 0.000 2.462 264 D HA 0.389 5.029 4.640 -0.000 0.000 0.221 264 D C 1.609 177.919 176.300 0.016 0.000 1.173 264 D CA 0.148 54.157 54.000 0.016 0.000 0.831 264 D CB -0.350 40.461 40.800 0.017 0.000 1.001 264 D HN 1.442 nan 8.370 nan 0.000 0.499 265 G N 0.851 109.663 108.800 0.019 0.000 2.179 265 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 265 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 265 G C 0.699 175.607 174.900 0.012 0.000 0.977 265 G CA 0.345 45.454 45.100 0.014 0.000 0.641 265 G HN 0.467 nan 8.290 nan 0.000 0.533 266 Q N -0.414 119.398 119.800 0.021 0.000 2.135 266 Q HA 0.185 4.525 4.340 -0.000 0.000 0.222 266 Q C 0.878 176.896 176.000 0.030 0.000 0.808 266 Q CA -0.107 55.704 55.803 0.013 0.000 1.049 266 Q CB 0.483 29.225 28.738 0.008 0.000 1.168 266 Q HN 0.336 nan 8.270 nan 0.000 0.483 267 D N 1.385 121.825 120.400 0.066 0.000 2.144 267 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 267 D C 1.618 177.910 176.300 -0.013 0.000 0.984 267 D CA 1.134 55.220 54.000 0.145 0.000 0.834 267 D CB 0.206 41.161 40.800 0.258 0.000 0.955 267 D HN 0.201 nan 8.370 nan 0.000 0.465 268 R N 0.237 120.705 120.500 -0.054 0.000 2.073 268 R HA 0.031 4.371 4.340 -0.000 0.000 0.229 268 R C 2.436 178.636 176.300 -0.167 0.000 1.120 268 R CA 0.941 56.956 56.100 -0.142 0.000 0.967 268 R CB -0.083 30.170 30.300 -0.079 0.000 0.862 268 R HN -0.006 nan 8.270 nan 0.000 0.436 269 S N 0.613 116.254 115.700 -0.098 0.000 2.383 269 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 269 S C 2.013 176.558 174.600 -0.093 0.000 1.026 269 S CA 1.176 59.324 58.200 -0.086 0.000 0.981 269 S CB -0.094 63.072 63.200 -0.056 0.000 0.818 269 S HN 0.465 nan 8.310 nan 0.000 0.472 270 A N 1.927 124.698 122.820 -0.081 0.000 1.902 270 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 270 A C 2.063 179.525 177.584 -0.204 0.000 1.181 270 A CA 1.631 53.652 52.037 -0.027 0.000 0.623 270 A CB -0.572 18.453 19.000 0.042 0.000 0.818 270 A HN 0.462 nan 8.150 nan 0.000 0.443 271 R N -0.672 119.428 120.500 -0.668 0.000 2.083 271 R HA -0.241 4.099 4.340 -0.000 0.000 0.237 271 R C 2.357 178.379 176.300 -0.463 0.000 1.137 271 R CA 2.067 57.445 56.100 -1.203 0.000 0.951 271 R CB -0.309 29.041 30.300 -1.583 0.000 0.851 271 R HN 0.540 nan 8.270 nan 0.000 0.434 272 Q N 0.250 119.878 119.800 -0.287 0.000 2.084 272 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 272 Q C 1.847 177.830 176.000 -0.029 0.000 0.978 272 Q CA 2.177 57.900 55.803 -0.132 0.000 0.844 272 Q CB -0.272 28.405 28.738 -0.102 0.000 0.898 272 Q HN 0.462 nan 8.270 nan 0.000 0.426 273 A N -0.624 122.198 122.820 0.003 0.000 1.898 273 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 273 A C 1.615 179.282 177.584 0.139 0.000 1.181 273 A CA 1.161 53.221 52.037 0.039 0.000 0.620 273 A CB -0.822 18.184 19.000 0.010 0.000 0.819 273 A HN 0.475 nan 8.150 nan 0.000 0.442 274 F N 0.656 120.598 119.950 -0.013 0.000 2.722 274 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 274 F C 2.299 178.238 175.800 0.232 0.000 1.175 274 F CA 0.875 58.988 58.000 0.189 0.000 1.462 274 F CB -0.430 38.782 39.000 0.353 0.000 1.111 274 F HN 0.368 nan 8.300 nan 0.000 0.592 275 Q N -0.601 119.336 119.800 0.228 0.000 2.224 275 Q HA -0.044 4.296 4.340 -0.000 0.000 0.203 275 Q C 2.049 178.230 176.000 0.301 0.000 0.970 275 Q CA 1.126 57.038 55.803 0.183 0.000 0.865 275 Q CB -0.139 28.686 28.738 0.146 0.000 0.922 275 Q HN 0.363 nan 8.270 nan 0.000 0.445 276 A N -0.145 122.832 122.820 0.261 0.000 2.379 276 A HA 0.503 4.823 4.320 -0.000 0.000 0.236 276 A C 0.381 178.134 177.584 0.283 0.000 1.272 276 A CA 0.085 52.292 52.037 0.283 0.000 0.886 276 A CB 0.273 19.473 19.000 0.333 0.000 0.962 276 A HN 0.214 nan 8.150 nan 0.000 0.504 277 A N 0.221 123.203 122.820 0.270 0.000 2.355 277 A HA 0.742 5.062 4.320 -0.000 0.000 0.324 277 A C -0.230 177.571 177.584 0.362 0.000 1.117 277 A CA -0.588 51.619 52.037 0.284 0.000 0.785 277 A CB 1.001 20.085 19.000 0.139 0.000 1.254 277 A HN 0.294 nan 8.150 nan 0.000 0.453 278 K N 0.873 121.412 120.400 0.231 0.000 2.443 278 K HA 0.697 5.017 4.320 -0.000 0.000 0.251 278 K C -1.525 175.303 176.600 0.379 0.000 0.972 278 K CA -0.509 55.992 56.287 0.357 0.000 0.833 278 K CB 2.480 35.077 32.500 0.161 0.000 1.317 278 K HN 0.616 nan 8.250 nan 0.000 0.441 279 I N 2.477 123.321 120.570 0.457 0.000 2.436 279 I HA 0.385 4.555 4.170 -0.000 0.000 0.289 279 I C -0.572 175.795 176.117 0.416 0.000 1.010 279 I CA -0.795 60.667 61.300 0.271 0.000 1.098 279 I CB 1.564 39.570 38.000 0.010 0.000 1.266 279 I HN 0.356 nan 8.210 nan 0.000 0.434 280 I N 5.652 126.423 120.570 0.335 0.000 2.321 280 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 280 I C 0.294 176.530 176.117 0.198 0.000 0.998 280 I CA -0.036 61.495 61.300 0.386 0.000 1.227 280 I CB 1.649 39.901 38.000 0.421 0.000 1.368 280 I HN 0.655 nan 8.210 nan 0.000 0.466 281 T N 1.864 116.579 114.554 0.268 0.000 2.887 281 T HA 0.497 4.847 4.350 -0.000 0.000 0.292 281 T C -0.440 174.325 174.700 0.109 0.000 1.087 281 T CA -0.782 61.374 62.100 0.095 0.000 1.009 281 T CB 0.947 69.930 68.868 0.193 0.000 1.203 281 T HN 0.253 nan 8.240 nan 0.000 0.518 282 Y N 0.761 121.041 120.300 -0.033 0.000 2.426 282 Y HA 0.285 4.835 4.550 -0.000 0.000 0.344 282 Y C 1.306 177.137 175.900 -0.115 0.000 1.256 282 Y CA -0.749 57.173 58.100 -0.296 0.000 1.451 282 Y CB 0.726 38.999 38.460 -0.311 0.000 1.342 282 Y HN 0.572 nan 8.280 nan 0.000 0.600 283 K N 2.501 122.889 120.400 -0.020 0.000 2.276 283 K HA 0.049 4.369 4.320 -0.000 0.000 0.283 283 K C -0.625 175.972 176.600 -0.006 0.000 1.044 283 K CA -0.502 55.784 56.287 -0.002 0.000 0.944 283 K CB 0.690 33.154 32.500 -0.060 0.000 1.012 283 K HN 0.581 nan 8.250 nan 0.000 0.472 284 E N 5.498 125.726 120.200 0.046 0.000 2.299 284 E HA 0.120 4.470 4.350 -0.000 0.000 0.272 284 E C -2.367 174.175 176.600 -0.096 0.000 1.043 284 E CA -1.692 54.723 56.400 0.026 0.000 0.895 284 E CB 0.668 30.447 29.700 0.132 0.000 1.011 284 E HN 0.294 nan 8.360 nan 0.000 0.432 285 P HA 0.075 nan 4.420 nan 0.000 0.268 285 P C -0.892 176.320 177.300 -0.146 0.000 1.204 285 P CA 0.005 62.892 63.100 -0.355 0.000 0.768 285 P CB 0.651 31.858 31.700 -0.821 0.000 0.842 286 D N 0.038 120.407 120.400 -0.051 0.000 2.501 286 D HA 0.002 4.642 4.640 -0.000 0.000 0.224 286 D C -0.108 176.223 176.300 0.051 0.000 1.202 286 D CA -0.294 53.725 54.000 0.032 0.000 0.829 286 D CB -0.635 40.175 40.800 0.016 0.000 1.023 286 D HN 0.227 nan 8.370 nan 0.000 0.499 287 N N 1.238 119.969 118.700 0.052 0.000 2.513 287 N HA 0.116 4.856 4.740 -0.000 0.000 0.274 287 N C -1.601 173.971 175.510 0.103 0.000 1.189 287 N CA -1.139 51.947 53.050 0.060 0.000 0.975 287 N CB 1.576 40.087 38.487 0.040 0.000 1.157 287 N HN -0.191 nan 8.380 nan 0.000 0.465 288 P HA -0.129 nan 4.420 nan 0.000 0.218 288 P C 0.522 177.877 177.300 0.093 0.000 1.148 288 P CA 1.410 64.556 63.100 0.077 0.000 0.822 288 P CB 0.345 32.074 31.700 0.049 0.000 0.784 289 E N -1.082 119.175 120.200 0.096 0.000 2.150 289 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 289 E C 2.036 178.735 176.600 0.166 0.000 0.985 289 E CA 0.837 57.299 56.400 0.104 0.000 0.814 289 E CB -1.168 28.577 29.700 0.076 0.000 0.752 289 E HN 0.320 nan 8.360 nan 0.000 0.466 290 Y N 0.949 121.277 120.300 0.046 0.000 2.163 290 Y HA -0.134 4.416 4.550 -0.000 0.000 0.288 290 Y C 1.720 177.703 175.900 0.138 0.000 1.136 290 Y CA 1.350 59.498 58.100 0.081 0.000 1.147 290 Y CB -0.214 38.272 38.460 0.045 0.000 0.987 290 Y HN -0.025 nan 8.280 nan 0.000 0.509 291 L N -0.173 121.116 121.223 0.111 0.000 2.042 291 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 291 L C 2.422 179.271 176.870 -0.034 0.000 1.076 291 L CA 1.908 56.752 54.840 0.006 0.000 0.749 291 L CB -0.662 41.429 42.059 0.054 0.000 0.893 291 L HN 0.186 nan 8.230 nan 0.000 0.432 292 E N 0.479 120.688 120.200 0.015 0.000 2.072 292 E HA -0.251 4.099 4.350 -0.000 0.000 0.191 292 E C 1.976 178.557 176.600 -0.032 0.000 0.985 292 E CA 1.238 57.637 56.400 -0.001 0.000 0.801 292 E CB -0.345 29.375 29.700 0.033 0.000 0.750 292 E HN 0.348 nan 8.360 nan 0.000 0.452 293 F N 0.778 120.641 119.950 -0.145 0.000 2.095 293 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 293 F C 1.783 177.445 175.800 -0.230 0.000 1.104 293 F CA 1.618 59.499 58.000 -0.198 0.000 1.232 293 F CB -0.326 38.520 39.000 -0.258 0.000 0.987 293 F HN 0.053 nan 8.300 nan 0.000 0.475 294 L N 0.216 121.230 121.223 -0.348 0.000 2.046 294 L HA -0.245 4.095 4.340 -0.000 0.000 0.208 294 L C 2.542 179.218 176.870 -0.323 0.000 1.077 294 L CA 1.632 56.227 54.840 -0.409 0.000 0.747 294 L CB -0.826 41.044 42.059 -0.315 0.000 0.896 294 L HN 0.100 nan 8.230 nan 0.000 0.432 295 K N -0.390 119.878 120.400 -0.219 0.000 2.032 295 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 295 K C 2.240 178.731 176.600 -0.182 0.000 1.048 295 K CA 1.305 57.498 56.287 -0.158 0.000 0.927 295 K CB -0.151 32.290 32.500 -0.098 0.000 0.712 295 K HN 0.275 nan 8.250 nan 0.000 0.441 296 Q N 0.660 120.328 119.800 -0.219 0.000 2.119 296 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 296 Q C 2.192 178.027 176.000 -0.275 0.000 0.972 296 Q CA 0.893 56.574 55.803 -0.203 0.000 0.847 296 Q CB -0.388 28.251 28.738 -0.165 0.000 0.903 296 Q HN 0.225 nan 8.270 nan 0.000 0.433 297 L N 1.277 122.213 121.223 -0.479 0.000 2.017 297 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 297 L C 2.004 178.719 176.870 -0.259 0.000 1.073 297 L CA 1.870 56.421 54.840 -0.482 0.000 0.745 297 L CB -0.326 41.281 42.059 -0.752 0.000 0.894 297 L HN 0.018 nan 8.230 nan 0.000 0.432 298 K N -0.713 119.552 120.400 -0.225 0.000 2.063 298 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 298 K C 2.066 178.608 176.600 -0.096 0.000 1.048 298 K CA 1.824 58.027 56.287 -0.141 0.000 0.928 298 K CB -0.346 32.074 32.500 -0.133 0.000 0.713 298 K HN 0.347 nan 8.250 nan 0.000 0.442 299 L N 0.309 121.474 121.223 -0.096 0.000 2.027 299 L HA -0.187 4.152 4.340 -0.000 0.000 0.206 299 L C 2.396 179.253 176.870 -0.023 0.000 1.074 299 L CA 0.626 55.432 54.840 -0.057 0.000 0.745 299 L CB -0.385 41.639 42.059 -0.058 0.000 0.898 299 L HN 0.155 nan 8.230 nan 0.000 0.433 300 L N 0.069 121.276 121.223 -0.026 0.000 2.093 300 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 300 L C 2.614 179.569 176.870 0.143 0.000 1.085 300 L CA 1.875 56.741 54.840 0.044 0.000 0.755 300 L CB -0.683 41.390 42.059 0.022 0.000 0.904 300 L HN 0.155 nan 8.230 nan 0.000 0.435 301 A N -0.905 121.959 122.820 0.072 0.000 1.902 301 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 301 A C 2.094 179.797 177.584 0.200 0.000 1.181 301 A CA 1.914 54.046 52.037 0.158 0.000 0.623 301 A CB -0.882 18.166 19.000 0.079 0.000 0.818 301 A HN 0.544 nan 8.150 nan 0.000 0.443 302 D N -0.632 119.817 120.400 0.082 0.000 2.097 302 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 302 D C 1.978 178.311 176.300 0.054 0.000 0.984 302 D CA 1.640 55.669 54.000 0.048 0.000 0.826 302 D CB -0.150 40.644 40.800 -0.011 0.000 0.973 302 D HN 0.470 nan 8.370 nan 0.000 0.460 303 K N -0.100 120.327 120.400 0.045 0.000 2.025 303 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 303 K C 1.717 178.315 176.600 -0.004 0.000 1.049 303 K CA 1.190 57.489 56.287 0.019 0.000 0.933 303 K CB 0.122 32.628 32.500 0.011 0.000 0.714 303 K HN 0.019 nan 8.250 nan 0.000 0.438 304 K N -1.262 119.140 120.400 0.002 0.000 2.370 304 K HA 0.086 4.406 4.320 -0.000 0.000 0.194 304 K C 0.827 177.175 176.600 -0.420 0.000 1.070 304 K CA 0.158 56.312 56.287 -0.221 0.000 0.998 304 K CB 0.497 32.784 32.500 -0.355 0.000 0.911 304 K HN 0.054 nan 8.250 nan 0.000 0.533 305 F N 1.291 121.246 119.950 0.008 0.000 2.654 305 F HA 0.198 4.725 4.527 -0.000 0.000 0.303 305 F C 0.180 176.031 175.800 0.085 0.000 1.099 305 F CA -0.592 57.424 58.000 0.027 0.000 1.270 305 F CB -0.307 38.673 39.000 -0.034 0.000 1.024 305 F HN 0.050 nan 8.300 nan 0.000 0.548 306 N N 1.670 120.478 118.700 0.181 0.000 2.686 306 N HA -0.295 4.445 4.740 -0.000 0.000 0.261 306 N C -1.014 174.649 175.510 0.256 0.000 1.001 306 N CA 0.176 53.317 53.050 0.152 0.000 0.764 306 N CB -0.817 37.733 38.487 0.105 0.000 0.898 306 N HN 0.300 nan 8.380 nan 0.000 0.544 307 F N 0.455 120.438 119.950 0.055 0.000 2.615 307 F HA 0.314 4.840 4.527 -0.000 0.000 0.312 307 F C -0.633 175.162 175.800 -0.007 0.000 1.119 307 F CA -0.421 57.594 58.000 0.024 0.000 0.979 307 F CB 1.605 40.623 39.000 0.029 0.000 1.266 307 F HN -0.073 nan 8.300 nan 0.000 0.444 308 T N 5.426 119.463 114.554 -0.863 0.000 2.728 308 T HA 0.420 4.770 4.350 -0.000 0.000 0.296 308 T C -0.543 173.619 174.700 -0.896 0.000 0.940 308 T CA -0.368 61.339 62.100 -0.656 0.000 1.013 308 T CB 0.820 69.420 68.868 -0.447 0.000 0.912 308 T HN 0.355 nan 8.240 nan 0.000 0.484 309 V N 5.567 125.234 119.914 -0.410 0.000 2.408 309 V HA 0.173 4.293 4.120 -0.000 0.000 0.267 309 V C 0.709 176.710 176.094 -0.156 0.000 1.047 309 V CA -0.510 61.678 62.300 -0.186 0.000 0.937 309 V CB 0.409 32.205 31.823 -0.044 0.000 0.999 309 V HN 0.794 nan 8.190 nan 0.000 0.472 310 E N 3.133 123.258 120.200 -0.125 0.000 2.318 310 E HA 0.286 4.636 4.350 -0.000 0.000 0.265 310 E C -0.738 175.845 176.600 -0.028 0.000 1.069 310 E CA -0.716 55.634 56.400 -0.083 0.000 0.893 310 E CB 1.221 30.874 29.700 -0.078 0.000 1.076 310 E HN 0.565 nan 8.360 nan 0.000 0.414 311 D N 0.143 120.534 120.400 -0.014 0.000 2.357 311 D HA 0.417 5.057 4.640 -0.000 0.000 0.242 311 D C 0.281 176.614 176.300 0.055 0.000 1.153 311 D CA 0.629 54.644 54.000 0.025 0.000 0.918 311 D CB 1.338 42.157 40.800 0.030 0.000 1.181 311 D HN 0.605 nan 8.370 nan 0.000 0.435 312 G N -0.264 108.600 108.800 0.107 0.000 2.350 312 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.305 312 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.305 312 G C 0.347 175.373 174.900 0.210 0.000 1.479 312 G CA -0.849 44.332 45.100 0.134 0.000 0.949 312 G HN 0.394 nan 8.290 nan 0.000 0.651 313 L N -0.077 121.304 121.223 0.264 0.000 2.265 313 L HA -0.017 4.323 4.340 -0.000 0.000 0.215 313 L C 2.875 180.022 176.870 0.462 0.000 1.117 313 L CA 1.159 56.229 54.840 0.383 0.000 0.782 313 L CB -0.202 42.120 42.059 0.437 0.000 0.914 313 L HN 0.616 nan 8.230 nan 0.000 0.441 314 K N -0.095 120.453 120.400 0.247 0.000 2.280 314 K HA -0.129 4.191 4.320 -0.000 0.000 0.202 314 K C 1.534 178.207 176.600 0.121 0.000 1.047 314 K CA 0.816 57.070 56.287 -0.055 0.000 0.942 314 K CB -0.123 32.210 32.500 -0.278 0.000 0.739 314 K HN 0.337 nan 8.250 nan 0.000 0.457 315 N N 1.465 120.293 118.700 0.212 0.000 2.520 315 N HA -0.108 4.632 4.740 -0.000 0.000 0.185 315 N C 1.648 177.386 175.510 0.380 0.000 1.068 315 N CA 0.789 54.001 53.050 0.269 0.000 0.911 315 N CB -0.151 38.483 38.487 0.245 0.000 0.961 315 N HN 0.438 nan 8.380 nan 0.000 0.446 316 I N -2.528 118.262 120.570 0.367 0.000 2.614 316 I HA -0.113 4.057 4.170 -0.000 0.000 0.258 316 I C 1.498 177.748 176.117 0.221 0.000 1.189 316 I CA 0.692 62.152 61.300 0.266 0.000 1.462 316 I CB -0.194 37.874 38.000 0.114 0.000 1.092 316 I HN -0.162 nan 8.210 nan 0.000 0.442 317 I N 2.428 123.171 120.570 0.288 0.000 2.133 317 I HA -0.079 4.091 4.170 -0.000 0.000 0.238 317 I C 0.181 176.548 176.117 0.416 0.000 1.074 317 I CA 1.459 62.957 61.300 0.330 0.000 1.342 317 I CB -3.014 35.239 38.000 0.422 0.000 1.053 317 I HN 0.229 nan 8.210 nan 0.000 0.404 318 P HA -0.105 nan 4.420 nan 0.000 0.218 318 P C 1.537 179.062 177.300 0.375 0.000 1.149 318 P CA 1.895 65.235 63.100 0.401 0.000 0.817 318 P CB 0.043 31.901 31.700 0.264 0.000 0.785 319 A N 0.207 123.170 122.820 0.239 0.000 1.933 319 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 319 A C 2.437 179.983 177.584 -0.064 0.000 1.175 319 A CA 1.929 53.819 52.037 -0.245 0.000 0.628 319 A CB -1.422 17.474 19.000 -0.174 0.000 0.814 319 A HN 0.179 nan 8.150 nan 0.000 0.444 320 S N -1.302 114.430 115.700 0.054 0.000 2.436 320 S HA 0.026 4.496 4.470 -0.000 0.000 0.228 320 S C 1.459 176.062 174.600 0.006 0.000 1.014 320 S CA 0.742 58.936 58.200 -0.010 0.000 0.950 320 S CB -0.437 62.709 63.200 -0.090 0.000 0.784 320 S HN 0.566 nan 8.310 nan 0.000 0.504 321 F N 1.252 121.254 119.950 0.085 0.000 2.206 321 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 321 F C 2.572 178.441 175.800 0.115 0.000 1.090 321 F CA 1.367 59.425 58.000 0.097 0.000 1.323 321 F CB -0.315 38.762 39.000 0.128 0.000 1.028 321 F HN 0.324 nan 8.300 nan 0.000 0.492 322 H N 0.643 119.842 119.070 0.215 0.000 2.267 322 H HA -0.167 4.389 4.556 -0.000 0.000 0.297 322 H C 1.506 176.891 175.328 0.095 0.000 1.080 322 H CA 2.257 58.386 56.048 0.135 0.000 1.278 322 H CB -0.413 29.379 29.762 0.050 0.000 1.365 322 H HN 0.130 nan 8.280 nan 0.000 0.489 323 D N -0.145 120.436 120.400 0.301 0.000 2.144 323 D HA -0.082 4.558 4.640 -0.000 0.000 0.199 323 D C 2.353 178.709 176.300 0.093 0.000 0.984 323 D CA 1.202 55.355 54.000 0.256 0.000 0.834 323 D CB -0.885 40.041 40.800 0.208 0.000 0.955 323 D HN 0.587 nan 8.370 nan 0.000 0.465 324 G N 0.848 109.665 108.800 0.028 0.000 2.422 324 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 324 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 324 G C 1.573 176.469 174.900 -0.006 0.000 1.146 324 G CA 0.517 45.591 45.100 -0.043 0.000 0.769 324 G HN 0.237 nan 8.290 nan 0.000 0.547 325 L N 0.512 121.765 121.223 0.051 0.000 2.056 325 L HA 0.137 4.476 4.340 -0.000 0.000 0.207 325 L C 2.679 179.589 176.870 0.066 0.000 1.078 325 L CA 1.287 56.177 54.840 0.083 0.000 0.749 325 L CB -0.465 41.647 42.059 0.089 0.000 0.901 325 L HN 0.213 nan 8.230 nan 0.000 0.433 326 L N -1.334 119.889 121.223 -0.000 0.000 2.093 326 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 326 L C 2.460 179.229 176.870 -0.167 0.000 1.085 326 L CA 0.882 55.734 54.840 0.021 0.000 0.755 326 L CB -0.709 41.455 42.059 0.176 0.000 0.904 326 L HN 0.351 nan 8.230 nan 0.000 0.435 327 L N -0.747 120.189 121.223 -0.479 0.000 2.046 327 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 327 L C 2.525 179.189 176.870 -0.343 0.000 1.077 327 L CA 1.760 56.083 54.840 -0.862 0.000 0.747 327 L CB -0.769 40.818 42.059 -0.785 0.000 0.896 327 L HN 0.196 nan 8.230 nan 0.000 0.432 328 Y N -0.605 119.546 120.300 -0.247 0.000 2.145 328 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 328 Y C 2.303 178.126 175.900 -0.128 0.000 1.145 328 Y CA 2.162 60.174 58.100 -0.147 0.000 1.148 328 Y CB -0.678 37.730 38.460 -0.087 0.000 0.981 328 Y HN 0.004 nan 8.280 nan 0.000 0.507 329 V N 0.643 120.451 119.914 -0.177 0.000 2.392 329 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 329 V C 2.373 178.334 176.094 -0.223 0.000 1.059 329 V CA 2.211 64.379 62.300 -0.221 0.000 1.051 329 V CB -0.772 31.034 31.823 -0.029 0.000 0.658 329 V HN 0.415 nan 8.190 nan 0.000 0.455 330 Q N 0.426 120.124 119.800 -0.171 0.000 2.046 330 Q HA -0.117 4.223 4.340 -0.000 0.000 0.200 330 Q C 2.194 178.096 176.000 -0.163 0.000 0.975 330 Q CA 2.239 57.976 55.803 -0.110 0.000 0.836 330 Q CB -0.634 28.062 28.738 -0.070 0.000 0.896 330 Q HN 0.580 nan 8.270 nan 0.000 0.428 331 A N -0.655 122.026 122.820 -0.231 0.000 1.933 331 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 331 A C 2.268 179.682 177.584 -0.283 0.000 1.175 331 A CA 1.620 53.523 52.037 -0.224 0.000 0.628 331 A CB -0.782 18.092 19.000 -0.211 0.000 0.814 331 A HN 0.280 nan 8.150 nan 0.000 0.444 332 V N -0.412 119.239 119.914 -0.437 0.000 2.358 332 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 332 V C 2.744 178.667 176.094 -0.284 0.000 1.047 332 V CA 2.433 64.466 62.300 -0.446 0.000 1.035 332 V CB -1.234 30.201 31.823 -0.647 0.000 0.658 332 V HN 0.601 nan 8.190 nan 0.000 0.452 333 T N 0.013 114.436 114.554 -0.219 0.000 2.684 333 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 333 T C 1.778 176.423 174.700 -0.092 0.000 1.036 333 T CA 1.986 64.014 62.100 -0.120 0.000 1.148 333 T CB -0.300 68.525 68.868 -0.071 0.000 0.863 333 T HN 0.634 nan 8.240 nan 0.000 0.436 334 E N 0.467 120.609 120.200 -0.095 0.000 2.110 334 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 334 E C 2.456 179.009 176.600 -0.077 0.000 0.988 334 E CA 1.353 57.711 56.400 -0.069 0.000 0.804 334 E CB -0.311 29.352 29.700 -0.063 0.000 0.745 334 E HN 0.388 nan 8.360 nan 0.000 0.458 335 T N 1.694 116.180 114.554 -0.114 0.000 2.708 335 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 335 T C 1.981 176.629 174.700 -0.087 0.000 1.037 335 T CA 0.873 62.907 62.100 -0.109 0.000 1.146 335 T CB -0.231 68.546 68.868 -0.151 0.000 0.865 335 T HN 0.071 nan 8.240 nan 0.000 0.435 336 L N 0.884 122.047 121.223 -0.099 0.000 2.012 336 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 336 L C 3.048 179.910 176.870 -0.013 0.000 1.073 336 L CA 1.334 56.145 54.840 -0.049 0.000 0.748 336 L CB -0.722 41.313 42.059 -0.039 0.000 0.891 336 L HN 0.237 nan 8.230 nan 0.000 0.431 337 A N -0.728 122.081 122.820 -0.019 0.000 1.978 337 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 337 A C 2.031 179.610 177.584 -0.008 0.000 1.170 337 A CA 1.560 53.593 52.037 -0.006 0.000 0.636 337 A CB -0.405 18.589 19.000 -0.010 0.000 0.810 337 A HN 0.543 nan 8.150 nan 0.000 0.448 338 Q N -1.730 118.059 119.800 -0.018 0.000 2.212 338 Q HA 0.333 4.673 4.340 -0.000 0.000 0.213 338 Q C 0.809 176.801 176.000 -0.013 0.000 0.874 338 Q CA 0.263 56.056 55.803 -0.016 0.000 0.965 338 Q CB 0.208 28.932 28.738 -0.023 0.000 1.074 338 Q HN 0.862 nan 8.270 nan 0.000 0.473 339 G N -0.271 108.525 108.800 -0.007 0.000 2.141 339 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.231 339 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.231 339 G C 0.282 175.179 174.900 -0.005 0.000 0.984 339 G CA -0.288 44.812 45.100 -0.000 0.000 0.660 339 G HN 0.527 nan 8.290 nan 0.000 0.525 340 G N -1.647 107.141 108.800 -0.021 0.000 2.613 340 G HA2 0.775 4.735 3.960 -0.000 0.000 0.303 340 G HA3 0.775 4.735 3.960 -0.000 0.000 0.303 340 G C -0.236 174.642 174.900 -0.037 0.000 1.312 340 G CA 0.543 45.623 45.100 -0.034 0.000 1.036 340 G HN 0.760 nan 8.290 nan 0.000 0.513 341 T N -2.357 112.161 114.554 -0.060 0.000 2.858 341 T HA 0.343 4.693 4.350 -0.000 0.000 0.285 341 T C 1.532 176.102 174.700 -0.216 0.000 1.052 341 T CA 0.259 62.304 62.100 -0.091 0.000 1.009 341 T CB 1.339 70.214 68.868 0.012 0.000 1.241 341 T HN 0.968 nan 8.240 nan 0.000 0.542 342 V N 0.464 120.136 119.914 -0.404 0.000 3.078 342 V HA 0.099 4.219 4.120 -0.000 0.000 0.265 342 V C 1.658 177.628 176.094 -0.206 0.000 1.122 342 V CA 2.032 64.065 62.300 -0.445 0.000 1.141 342 V CB -1.565 29.771 31.823 -0.812 0.000 0.735 342 V HN 0.970 nan 8.190 nan 0.000 0.498 343 T N -3.763 110.714 114.554 -0.127 0.000 3.105 343 T HA 0.206 4.556 4.350 -0.000 0.000 0.253 343 T C 0.307 174.986 174.700 -0.035 0.000 1.047 343 T CA -0.065 62.006 62.100 -0.047 0.000 0.944 343 T CB -0.364 68.494 68.868 -0.017 0.000 1.016 343 T HN 0.436 nan 8.240 nan 0.000 0.544 344 D N 2.310 122.673 120.400 -0.062 0.000 2.619 344 D HA 0.271 4.911 4.640 -0.000 0.000 0.224 344 D C 1.612 177.879 176.300 -0.056 0.000 1.133 344 D CA -0.064 53.903 54.000 -0.056 0.000 1.017 344 D CB 0.528 41.286 40.800 -0.070 0.000 1.077 344 D HN 0.451 nan 8.370 nan 0.000 0.503 345 G N 1.512 110.295 108.800 -0.027 0.000 2.476 345 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 345 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 345 G C 1.501 176.355 174.900 -0.076 0.000 1.164 345 G CA 0.629 45.718 45.100 -0.018 0.000 0.768 345 G HN 0.333 nan 8.290 nan 0.000 0.560 346 E N 0.892 121.036 120.200 -0.093 0.000 2.051 346 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 346 E C 2.300 178.799 176.600 -0.169 0.000 0.991 346 E CA 1.315 57.626 56.400 -0.148 0.000 0.799 346 E CB -0.506 29.126 29.700 -0.114 0.000 0.748 346 E HN 0.421 nan 8.360 nan 0.000 0.449 347 N N 0.055 118.681 118.700 -0.124 0.000 2.142 347 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 347 N C 1.995 177.421 175.510 -0.140 0.000 1.023 347 N CA 1.417 54.395 53.050 -0.122 0.000 0.852 347 N CB -0.124 38.306 38.487 -0.094 0.000 0.998 347 N HN 0.255 nan 8.380 nan 0.000 0.424 348 I N 0.645 121.135 120.570 -0.134 0.000 2.163 348 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 348 I C 2.111 178.142 176.117 -0.144 0.000 1.085 348 I CA 1.128 62.345 61.300 -0.139 0.000 1.347 348 I CB -0.557 37.377 38.000 -0.111 0.000 1.044 348 I HN 0.120 nan 8.210 nan 0.000 0.408 349 T N 0.267 114.704 114.554 -0.195 0.000 2.746 349 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 349 T C 1.870 176.270 174.700 -0.500 0.000 1.039 349 T CA 1.641 63.524 62.100 -0.362 0.000 1.142 349 T CB -0.348 68.200 68.868 -0.534 0.000 0.866 349 T HN 0.502 nan 8.240 nan 0.000 0.444 350 Q N 1.186 120.747 119.800 -0.398 0.000 2.181 350 Q HA -0.180 4.160 4.340 -0.000 0.000 0.205 350 Q C 1.979 177.910 176.000 -0.114 0.000 0.980 350 Q CA 1.463 57.108 55.803 -0.264 0.000 0.862 350 Q CB -0.188 28.440 28.738 -0.184 0.000 0.905 350 Q HN 0.459 nan 8.270 nan 0.000 0.429 351 R N -0.751 119.683 120.500 -0.109 0.000 2.299 351 R HA 0.141 4.481 4.340 -0.000 0.000 0.197 351 R C 1.888 178.171 176.300 -0.029 0.000 0.971 351 R CA 0.675 56.739 56.100 -0.060 0.000 1.030 351 R CB 0.152 30.401 30.300 -0.085 0.000 0.932 351 R HN 0.393 nan 8.270 nan 0.000 0.477 352 M N -1.250 118.353 119.600 0.004 0.000 2.615 352 M HA 0.090 4.570 4.480 -0.000 0.000 0.262 352 M C -0.218 176.236 176.300 0.258 0.000 1.198 352 M CA 0.318 55.671 55.300 0.088 0.000 1.165 352 M CB 0.296 32.973 32.600 0.129 0.000 1.310 352 M HN -0.009 nan 8.290 nan 0.000 0.494 353 W N 2.073 123.344 121.300 -0.048 0.000 2.170 353 W HA 0.172 4.832 4.660 -0.000 0.000 0.336 353 W C 0.972 177.473 176.519 -0.031 0.000 1.283 353 W CA -0.771 56.551 57.345 -0.038 0.000 1.224 353 W CB -0.511 28.933 29.460 -0.026 0.000 1.132 353 W HN 0.330 nan 8.180 nan 0.000 0.571 354 N N 1.218 120.016 118.700 0.164 0.000 2.725 354 N HA -0.276 4.464 4.740 -0.000 0.000 0.251 354 N C -0.578 174.973 175.510 0.069 0.000 1.031 354 N CA 1.065 54.169 53.050 0.089 0.000 0.720 354 N CB -0.645 37.905 38.487 0.105 0.000 0.930 354 N HN 0.596 nan 8.380 nan 0.000 0.543 355 R N -0.251 120.278 120.500 0.048 0.000 2.698 355 R HA 0.581 4.921 4.340 -0.000 0.000 0.275 355 R C -0.783 175.513 176.300 -0.006 0.000 1.001 355 R CA -0.178 55.943 56.100 0.034 0.000 0.896 355 R CB 1.113 31.437 30.300 0.040 0.000 1.218 355 R HN 0.281 nan 8.270 nan 0.000 0.462 356 S N 2.429 118.128 115.700 -0.002 0.000 2.651 356 S HA 0.758 5.228 4.470 -0.000 0.000 0.291 356 S C -0.706 173.915 174.600 0.035 0.000 1.141 356 S CA -0.568 57.566 58.200 -0.111 0.000 1.027 356 S CB 1.516 64.670 63.200 -0.077 0.000 1.043 356 S HN 0.484 nan 8.310 nan 0.000 0.530 357 F N -0.038 119.753 119.950 -0.265 0.000 2.719 357 F HA 0.433 4.960 4.527 -0.000 0.000 0.309 357 F C -1.879 173.832 175.800 -0.148 0.000 1.138 357 F CA -0.583 57.329 58.000 -0.145 0.000 0.943 357 F CB 1.533 40.466 39.000 -0.112 0.000 1.304 357 F HN 0.562 nan 8.300 nan 0.000 0.445 358 Q N 2.532 121.875 119.800 -0.761 0.000 2.333 358 Q HA 0.654 4.994 4.340 -0.000 0.000 0.265 358 Q C -0.355 175.307 176.000 -0.563 0.000 0.989 358 Q CA -0.486 55.031 55.803 -0.477 0.000 0.842 358 Q CB 1.722 30.273 28.738 -0.311 0.000 1.262 358 Q HN 0.971 nan 8.270 nan 0.000 0.451 359 G N -0.504 108.178 108.800 -0.197 0.000 3.022 359 G HA2 0.438 4.398 3.960 -0.000 0.000 0.284 359 G HA3 0.438 4.398 3.960 -0.000 0.000 0.284 359 G C 0.693 175.581 174.900 -0.021 0.000 1.375 359 G CA -0.227 44.847 45.100 -0.043 0.000 0.902 359 G HN 0.344 nan 8.290 nan 0.000 0.538 360 V N -1.712 118.186 119.914 -0.027 0.000 2.688 360 V HA -0.064 4.056 4.120 -0.000 0.000 0.256 360 V C 2.226 178.326 176.094 0.009 0.000 1.084 360 V CA 2.514 64.774 62.300 -0.067 0.000 1.103 360 V CB -1.355 30.250 31.823 -0.364 0.000 0.688 360 V HN 0.870 nan 8.190 nan 0.000 0.480 361 T N -2.539 111.978 114.554 -0.062 0.000 3.219 361 T HA 0.524 4.873 4.350 -0.000 0.000 0.249 361 T C 1.139 175.773 174.700 -0.111 0.000 1.099 361 T CA 0.691 62.706 62.100 -0.141 0.000 0.988 361 T CB -0.469 68.299 68.868 -0.167 0.000 0.999 361 T HN 1.697 nan 8.240 nan 0.000 0.550 362 G N 1.377 110.149 108.800 -0.046 0.000 2.499 362 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.232 362 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.232 362 G C -0.482 174.430 174.900 0.019 0.000 1.251 362 G CA -0.379 44.715 45.100 -0.010 0.000 0.917 362 G HN 0.738 nan 8.290 nan 0.000 0.580 363 Y N 1.270 121.529 120.300 -0.069 0.000 2.425 363 Y HA 0.511 5.061 4.550 -0.000 0.000 0.331 363 Y C 0.349 176.226 175.900 -0.040 0.000 1.157 363 Y CA 0.283 58.352 58.100 -0.053 0.000 1.372 363 Y CB 0.630 39.058 38.460 -0.052 0.000 1.253 363 Y HN 1.183 nan 8.280 nan 0.000 0.536 364 L N 5.020 125.892 121.223 -0.585 0.000 2.436 364 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 364 L C -1.846 174.662 176.870 -0.604 0.000 0.974 364 L CA -1.331 53.254 54.840 -0.424 0.000 0.826 364 L CB 1.999 43.974 42.059 -0.140 0.000 1.291 364 L HN 0.546 nan 8.230 nan 0.000 0.406 365 K N 4.408 124.557 120.400 -0.418 0.000 2.413 365 K HA 0.681 5.001 4.320 -0.000 0.000 0.257 365 K C -1.289 175.232 176.600 -0.132 0.000 0.946 365 K CA -0.521 55.611 56.287 -0.258 0.000 0.823 365 K CB 1.040 33.489 32.500 -0.085 0.000 1.109 365 K HN 0.696 nan 8.250 nan 0.000 0.427 366 I N 4.752 125.257 120.570 -0.108 0.000 2.325 366 I HA 0.125 4.295 4.170 -0.000 0.000 0.291 366 I C 0.473 176.528 176.117 -0.102 0.000 1.019 366 I CA -0.591 60.638 61.300 -0.119 0.000 1.302 366 I CB 0.542 38.489 38.000 -0.089 0.000 1.401 366 I HN 0.826 nan 8.210 nan 0.000 0.485 367 D N 6.568 126.882 120.400 -0.143 0.000 2.380 367 D HA 0.079 4.719 4.640 -0.000 0.000 0.254 367 D C 0.865 177.084 176.300 -0.134 0.000 1.288 367 D CA -0.275 53.659 54.000 -0.110 0.000 1.008 367 D CB 0.603 41.342 40.800 -0.103 0.000 1.099 367 D HN 0.376 nan 8.370 nan 0.000 0.537 368 R N -1.250 119.208 120.500 -0.071 0.000 2.285 368 R HA -0.059 4.281 4.340 -0.000 0.000 0.213 368 R C 0.852 177.093 176.300 -0.098 0.000 1.068 368 R CA 0.716 56.812 56.100 -0.006 0.000 1.004 368 R CB -0.419 29.901 30.300 0.033 0.000 0.873 368 R HN 0.438 nan 8.270 nan 0.000 0.467 369 N N -0.380 118.130 118.700 -0.318 0.000 2.270 369 N HA 0.028 4.768 4.740 -0.000 0.000 0.198 369 N C 0.412 175.173 175.510 -1.249 0.000 1.117 369 N CA 0.658 53.398 53.050 -0.517 0.000 0.845 369 N CB 0.855 39.163 38.487 -0.299 0.000 0.980 369 N HN 0.237 nan 8.380 nan 0.000 0.486 370 G N 0.070 107.932 108.800 -1.562 0.000 2.136 370 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.242 370 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.242 370 G C -0.981 173.412 174.900 -0.844 0.000 0.989 370 G CA 0.128 43.953 45.100 -2.124 0.000 0.682 370 G HN 0.401 nan 8.290 nan 0.000 0.522 371 D N -0.355 119.716 120.400 -0.548 0.000 2.505 371 D HA 0.386 5.026 4.640 -0.000 0.000 0.249 371 D C 0.486 176.645 176.300 -0.235 0.000 1.082 371 D CA -0.679 53.122 54.000 -0.331 0.000 0.839 371 D CB 1.361 41.999 40.800 -0.269 0.000 1.317 371 D HN 0.337 nan 8.370 nan 0.000 0.497 372 R N 1.707 122.086 120.500 -0.202 0.000 2.522 372 R HA 0.003 4.343 4.340 -0.000 0.000 0.284 372 R C -0.525 175.706 176.300 -0.114 0.000 1.032 372 R CA -0.206 55.798 56.100 -0.159 0.000 1.049 372 R CB 0.375 30.573 30.300 -0.170 0.000 0.956 372 R HN 0.269 nan 8.270 nan 0.000 0.422 373 D N 2.704 123.060 120.400 -0.074 0.000 2.424 373 D HA 0.057 4.697 4.640 -0.000 0.000 0.244 373 D C -0.518 175.766 176.300 -0.027 0.000 1.134 373 D CA 0.703 54.696 54.000 -0.012 0.000 0.881 373 D CB 1.312 42.126 40.800 0.023 0.000 1.191 373 D HN 0.432 nan 8.370 nan 0.000 0.445 374 T N 2.523 117.096 114.554 0.032 0.000 2.797 374 T HA 0.289 4.639 4.350 -0.000 0.000 0.279 374 T C -0.405 174.278 174.700 -0.027 0.000 0.991 374 T CA -0.863 61.190 62.100 -0.079 0.000 0.979 374 T CB 1.247 70.038 68.868 -0.128 0.000 0.943 374 T HN 0.106 nan 8.240 nan 0.000 0.444 375 D N 1.649 121.934 120.400 -0.191 0.000 2.225 375 D HA 0.605 5.245 4.640 -0.000 0.000 0.249 375 D C -0.558 175.559 176.300 -0.305 0.000 1.052 375 D CA -0.113 53.831 54.000 -0.093 0.000 0.909 375 D CB 0.827 41.568 40.800 -0.098 0.000 1.186 375 D HN 0.288 nan 8.370 nan 0.000 0.431 376 F N -0.253 119.678 119.950 -0.031 0.000 2.611 376 F HA 0.511 5.038 4.527 -0.000 0.000 0.324 376 F C 0.338 175.992 175.800 -0.242 0.000 1.061 376 F CA -0.713 57.143 58.000 -0.239 0.000 0.954 376 F CB 1.842 40.332 39.000 -0.850 0.000 1.301 376 F HN 0.013 nan 8.300 nan 0.000 0.482 377 S N 1.554 117.281 115.700 0.046 0.000 2.526 377 S HA 0.682 5.152 4.470 -0.000 0.000 0.293 377 S C -1.732 172.999 174.600 0.218 0.000 1.092 377 S CA -0.521 57.715 58.200 0.059 0.000 0.980 377 S CB 1.981 65.178 63.200 -0.004 0.000 1.048 377 S HN 0.479 nan 8.310 nan 0.000 0.483 378 L N 2.972 124.340 121.223 0.241 0.000 2.305 378 L HA 0.696 5.036 4.340 -0.000 0.000 0.284 378 L C -1.967 175.104 176.870 0.335 0.000 1.013 378 L CA -0.208 54.899 54.840 0.444 0.000 0.819 378 L CB 0.473 42.847 42.059 0.525 0.000 1.227 378 L HN 0.691 nan 8.230 nan 0.000 0.417 379 W N 4.588 126.060 121.300 0.288 0.000 2.520 379 W HA 0.584 5.244 4.660 -0.000 0.000 0.323 379 W C -0.328 176.396 176.519 0.342 0.000 1.062 379 W CA -0.237 57.282 57.345 0.291 0.000 1.215 379 W CB 1.370 31.039 29.460 0.348 0.000 1.340 379 W HN 0.654 nan 8.180 nan 0.000 0.516 380 D N 1.323 121.920 120.400 0.327 0.000 2.664 380 D HA 0.367 5.007 4.640 -0.000 0.000 0.292 380 D C -1.165 174.756 176.300 -0.632 0.000 1.214 380 D CA -1.041 52.940 54.000 -0.031 0.000 0.932 380 D CB 0.953 41.743 40.800 -0.017 0.000 1.420 380 D HN 0.366 nan 8.370 nan 0.000 0.471 381 M N 0.745 119.762 119.600 -0.971 0.000 2.211 381 M HA 0.222 4.702 4.480 -0.000 0.000 0.356 381 M C -0.634 175.344 176.300 -0.537 0.000 1.216 381 M CA -0.406 54.327 55.300 -0.945 0.000 1.134 381 M CB 0.862 32.941 32.600 -0.869 0.000 1.564 381 M HN 0.352 nan 8.290 nan 0.000 0.463 382 D N 7.257 127.441 120.400 -0.360 0.000 2.336 382 D HA 0.182 4.822 4.640 -0.000 0.000 0.249 382 D C -1.702 174.432 176.300 -0.276 0.000 1.213 382 D CA -1.979 51.880 54.000 -0.235 0.000 0.870 382 D CB 1.221 41.956 40.800 -0.109 0.000 1.076 382 D HN 0.414 nan 8.370 nan 0.000 0.483 383 P HA -0.155 nan 4.420 nan 0.000 0.221 383 P C 0.685 177.881 177.300 -0.173 0.000 1.145 383 P CA 1.081 63.949 63.100 -0.387 0.000 0.795 383 P CB 0.490 31.989 31.700 -0.335 0.000 0.775 384 E N -0.864 119.279 120.200 -0.096 0.000 2.385 384 E HA -0.018 4.332 4.350 -0.000 0.000 0.194 384 E C 1.638 178.227 176.600 -0.019 0.000 1.013 384 E CA 1.315 57.689 56.400 -0.042 0.000 0.866 384 E CB 0.078 29.771 29.700 -0.012 0.000 0.832 384 E HN 0.397 nan 8.360 nan 0.000 0.500 385 T N -4.868 109.681 114.554 -0.009 0.000 2.958 385 T HA 0.296 4.646 4.350 -0.000 0.000 0.256 385 T C 1.542 176.314 174.700 0.120 0.000 0.983 385 T CA 0.494 62.624 62.100 0.051 0.000 0.924 385 T CB 1.025 69.933 68.868 0.066 0.000 1.136 385 T HN 0.171 nan 8.240 nan 0.000 0.506 386 G N 1.732 110.575 108.800 0.072 0.000 2.199 386 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.254 386 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.254 386 G C 0.412 175.589 174.900 0.460 0.000 0.982 386 G CA -0.030 45.195 45.100 0.209 0.000 0.632 386 G HN 1.290 nan 8.290 nan 0.000 0.529 387 A N -0.085 122.894 122.820 0.264 0.000 2.425 387 A HA 0.660 4.980 4.320 -0.000 0.000 0.249 387 A C -0.172 177.526 177.584 0.189 0.000 1.084 387 A CA 0.142 52.335 52.037 0.261 0.000 0.781 387 A CB 0.229 19.322 19.000 0.155 0.000 1.019 387 A HN 0.628 nan 8.150 nan 0.000 0.490 388 F N 2.073 122.142 119.950 0.198 0.000 2.422 388 F HA 0.647 5.174 4.527 -0.000 0.000 0.333 388 F C 1.071 177.091 175.800 0.368 0.000 1.095 388 F CA 0.044 58.207 58.000 0.272 0.000 1.038 388 F CB 1.545 40.726 39.000 0.300 0.000 1.156 388 F HN 0.736 nan 8.300 nan 0.000 0.483 389 R N 1.279 122.025 120.500 0.410 0.000 2.734 389 R HA 0.588 4.928 4.340 -0.000 0.000 0.271 389 R C -2.131 174.106 176.300 -0.105 0.000 1.021 389 R CA -0.851 55.372 56.100 0.205 0.000 0.893 389 R CB 0.640 30.921 30.300 -0.032 0.000 1.244 389 R HN 0.326 nan 8.270 nan 0.000 0.464 390 V N 2.139 121.689 119.914 -0.607 0.000 2.521 390 V HA 0.054 4.174 4.120 -0.000 0.000 0.286 390 V C 1.420 177.384 176.094 -0.216 0.000 1.034 390 V CA 0.227 62.152 62.300 -0.625 0.000 1.045 390 V CB 1.132 32.492 31.823 -0.771 0.000 0.974 390 V HN 0.678 nan 8.190 nan 0.000 0.480 391 V N 2.937 122.795 119.914 -0.093 0.000 3.604 391 V HA 0.508 4.628 4.120 -0.000 0.000 0.277 391 V C 0.196 176.336 176.094 0.076 0.000 1.399 391 V CA 0.278 62.589 62.300 0.018 0.000 1.034 391 V CB 0.161 31.979 31.823 -0.008 0.000 0.824 391 V HN 0.535 nan 8.190 nan 0.000 0.439 392 L N 1.552 122.822 121.223 0.079 0.000 2.482 392 L HA 0.640 4.980 4.340 -0.000 0.000 0.263 392 L C -1.497 175.452 176.870 0.132 0.000 0.957 392 L CA -0.289 54.634 54.840 0.139 0.000 0.836 392 L CB 2.512 44.709 42.059 0.230 0.000 1.324 392 L HN 0.165 nan 8.230 nan 0.000 0.406 393 N N 1.562 120.337 118.700 0.126 0.000 2.314 393 N HA 0.409 5.149 4.740 -0.000 0.000 0.304 393 N C -1.611 174.021 175.510 0.204 0.000 1.073 393 N CA -0.342 52.772 53.050 0.107 0.000 0.822 393 N CB 2.469 40.974 38.487 0.031 0.000 1.280 393 N HN 0.389 nan 8.380 nan 0.000 0.489 394 Y N 1.595 121.929 120.300 0.057 0.000 2.328 394 Y HA 0.355 4.905 4.550 -0.000 0.000 0.336 394 Y C -0.490 175.464 175.900 0.089 0.000 0.960 394 Y CA -0.915 57.264 58.100 0.131 0.000 1.134 394 Y CB 0.854 39.441 38.460 0.210 0.000 1.166 394 Y HN 0.406 nan 8.280 nan 0.000 0.464 395 N N 3.802 122.222 118.700 -0.467 0.000 2.414 395 N HA 0.159 4.899 4.740 -0.000 0.000 0.256 395 N C 0.849 175.918 175.510 -0.736 0.000 1.029 395 N CA 0.597 53.399 53.050 -0.412 0.000 0.948 395 N CB 1.736 40.066 38.487 -0.261 0.000 1.102 395 N HN 1.089 nan 8.380 nan 0.000 0.496 396 G N 2.408 110.961 108.800 -0.412 0.000 2.471 396 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 396 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 396 G C 1.031 175.873 174.900 -0.098 0.000 1.125 396 G CA 0.918 45.894 45.100 -0.207 0.000 0.775 396 G HN 0.606 nan 8.290 nan 0.000 0.548 397 T N 0.857 115.361 114.554 -0.084 0.000 2.866 397 T HA -0.056 4.294 4.350 -0.000 0.000 0.250 397 T C 2.853 177.525 174.700 -0.046 0.000 1.033 397 T CA 1.458 63.556 62.100 -0.004 0.000 1.145 397 T CB -0.223 68.707 68.868 0.104 0.000 0.866 397 T HN 0.460 nan 8.240 nan 0.000 0.434 398 S N 0.969 116.605 115.700 -0.108 0.000 2.496 398 S HA -0.005 4.465 4.470 -0.000 0.000 0.224 398 S C 0.963 175.519 174.600 -0.073 0.000 0.996 398 S CA 0.294 58.444 58.200 -0.085 0.000 0.927 398 S CB -0.392 62.746 63.200 -0.104 0.000 0.774 398 S HN 0.547 nan 8.310 nan 0.000 0.524 399 Q N -0.055 119.644 119.800 -0.169 0.000 2.481 399 Q HA -0.181 4.159 4.340 -0.000 0.000 0.258 399 Q C -0.737 175.291 176.000 0.048 0.000 0.961 399 Q CA 0.880 56.634 55.803 -0.083 0.000 1.121 399 Q CB -1.818 27.008 28.738 0.146 0.000 1.503 399 Q HN 0.749 nan 8.270 nan 0.000 0.544 400 E N 0.407 120.561 120.200 -0.077 0.000 2.249 400 E HA 0.431 4.781 4.350 -0.000 0.000 0.280 400 E C -0.468 176.203 176.600 0.119 0.000 1.016 400 E CA -0.351 56.069 56.400 0.034 0.000 0.830 400 E CB 0.848 30.539 29.700 -0.016 0.000 1.081 400 E HN 0.149 nan 8.360 nan 0.000 0.395 401 L N 4.640 125.986 121.223 0.205 0.000 2.272 401 L HA 0.391 4.731 4.340 -0.000 0.000 0.289 401 L C -0.475 176.484 176.870 0.147 0.000 1.032 401 L CA -0.281 54.714 54.840 0.259 0.000 0.810 401 L CB 0.696 42.917 42.059 0.271 0.000 1.205 401 L HN 0.457 nan 8.230 nan 0.000 0.422 402 M N 3.010 122.684 119.600 0.124 0.000 2.383 402 M HA 0.547 5.027 4.480 -0.000 0.000 0.325 402 M C 0.034 176.381 176.300 0.079 0.000 1.092 402 M CA -0.287 55.058 55.300 0.075 0.000 0.961 402 M CB 2.132 34.753 32.600 0.036 0.000 1.672 402 M HN 0.585 nan 8.290 nan 0.000 0.438 403 A N 2.461 125.320 122.820 0.065 0.000 2.445 403 A HA 0.579 4.899 4.320 -0.000 0.000 0.242 403 A C -0.343 177.269 177.584 0.047 0.000 1.075 403 A CA -0.435 51.642 52.037 0.067 0.000 0.777 403 A CB 0.225 19.260 19.000 0.058 0.000 1.013 403 A HN 0.653 nan 8.150 nan 0.000 0.493 404 V N 1.731 121.683 119.914 0.063 0.000 2.513 404 V HA 0.383 4.503 4.120 -0.000 0.000 0.299 404 V C 0.798 176.909 176.094 0.028 0.000 1.035 404 V CA 0.162 62.488 62.300 0.044 0.000 0.889 404 V CB 1.209 33.056 31.823 0.040 0.000 0.988 404 V HN 1.243 nan 8.190 nan 0.000 0.440 405 S N 2.929 118.598 115.700 -0.051 0.000 3.486 405 S HA -0.224 4.246 4.470 -0.000 0.000 0.371 405 S C 0.996 175.402 174.600 -0.323 0.000 1.001 405 S CA 1.333 59.423 58.200 -0.183 0.000 1.164 405 S CB -1.259 61.805 63.200 -0.226 0.000 0.911 405 S HN 1.116 nan 8.310 nan 0.000 0.472 406 E N -1.223 118.885 120.200 -0.154 0.000 2.660 406 E HA -0.292 4.058 4.350 -0.000 0.000 0.260 406 E C 0.011 176.546 176.600 -0.109 0.000 1.122 406 E CA 0.965 57.296 56.400 -0.113 0.000 0.755 406 E CB -0.956 28.679 29.700 -0.109 0.000 1.345 406 E HN 0.890 nan 8.360 nan 0.000 0.421 407 H N -0.050 119.023 119.070 0.004 0.000 2.547 407 H HA 0.376 4.932 4.556 -0.000 0.000 0.362 407 H C 0.432 175.768 175.328 0.014 0.000 1.181 407 H CA 0.038 56.089 56.048 0.005 0.000 1.376 407 H CB 1.127 30.886 29.762 -0.006 0.000 1.488 407 H HN -0.012 nan 8.280 nan 0.000 0.583 408 K N 1.486 121.988 120.400 0.171 0.000 2.267 408 K HA 0.369 4.689 4.320 -0.000 0.000 0.246 408 K C -0.956 175.666 176.600 0.036 0.000 0.954 408 K CA -0.720 55.625 56.287 0.096 0.000 0.824 408 K CB 1.189 33.742 32.500 0.087 0.000 1.167 408 K HN 0.421 nan 8.250 nan 0.000 0.431 409 L N 3.457 124.671 121.223 -0.016 0.000 2.416 409 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 409 L C -0.090 176.540 176.870 -0.399 0.000 1.161 409 L CA -0.388 54.328 54.840 -0.208 0.000 0.845 409 L CB 0.023 41.933 42.059 -0.248 0.000 1.119 409 L HN 0.605 nan 8.230 nan 0.000 0.464 410 Y N 2.550 122.506 120.300 -0.574 0.000 2.359 410 Y HA 0.254 4.803 4.550 -0.000 0.000 0.334 410 Y C -1.103 174.378 175.900 -0.699 0.000 1.058 410 Y CA -0.641 57.170 58.100 -0.481 0.000 1.244 410 Y CB 0.536 38.806 38.460 -0.317 0.000 1.187 410 Y HN 0.377 nan 8.280 nan 0.000 0.510 411 W N 8.623 129.397 121.300 -0.876 0.000 2.830 411 W HA 0.339 4.999 4.660 -0.000 0.000 0.335 411 W C -1.929 174.042 176.519 -0.914 0.000 1.043 411 W CA -1.921 54.988 57.345 -0.727 0.000 1.239 411 W CB 1.713 30.950 29.460 -0.372 0.000 1.378 411 W HN 0.435 nan 8.180 nan 0.000 0.456 412 P HA -0.227 nan 4.420 nan 0.000 0.216 412 P C 1.093 178.264 177.300 -0.215 0.000 1.154 412 P CA 1.731 64.661 63.100 -0.283 0.000 0.865 412 P CB 0.294 31.951 31.700 -0.071 0.000 0.789 413 L N -3.505 117.527 121.223 -0.318 0.000 2.592 413 L HA 0.301 4.641 4.340 -0.000 0.000 0.227 413 L C 1.626 178.249 176.870 -0.411 0.000 1.127 413 L CA 0.592 55.175 54.840 -0.429 0.000 0.884 413 L CB -0.584 41.002 42.059 -0.789 0.000 1.065 413 L HN 0.147 nan 8.230 nan 0.000 0.457 414 G N -0.019 108.632 108.800 -0.248 0.000 2.217 414 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 414 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 414 G C 0.044 174.984 174.900 0.068 0.000 0.990 414 G CA 0.259 45.339 45.100 -0.034 0.000 0.627 414 G HN 0.396 nan 8.290 nan 0.000 0.522 415 Y N -0.957 119.315 120.300 -0.047 0.000 2.553 415 Y HA 0.820 5.370 4.550 -0.000 0.000 0.347 415 Y C -2.766 172.643 175.900 -0.817 0.000 1.019 415 Y CA -3.277 54.624 58.100 -0.332 0.000 1.032 415 Y CB 0.781 39.108 38.460 -0.222 0.000 1.284 415 Y HN 0.068 nan 8.280 nan 0.000 0.466 416 P HA 0.216 nan 4.420 nan 0.000 0.271 416 P C -2.727 174.364 177.300 -0.349 0.000 1.218 416 P CA -1.201 61.011 63.100 -1.480 0.000 0.780 416 P CB 0.719 31.594 31.700 -1.375 0.000 0.901 417 P HA 0.206 nan 4.420 nan 0.000 0.272 417 P C -2.192 175.144 177.300 0.059 0.000 1.223 417 P CA -1.520 61.565 63.100 -0.025 0.000 0.784 417 P CB -1.046 30.597 31.700 -0.096 0.000 0.923 418 P HA 0.015 nan 4.420 nan 0.000 0.272 418 P C 0.071 177.316 177.300 -0.092 0.000 1.223 418 P CA 0.047 63.157 63.100 0.016 0.000 0.784 418 P CB 0.720 32.378 31.700 -0.070 0.000 0.923 419 D N 0.435 120.802 120.400 -0.054 0.000 2.347 419 D HA -0.018 4.622 4.640 -0.000 0.000 0.215 419 D C 0.209 176.458 176.300 -0.085 0.000 0.976 419 D CA 0.486 54.360 54.000 -0.211 0.000 0.884 419 D CB -0.197 40.484 40.800 -0.197 0.000 0.915 419 D HN 0.053 nan 8.370 nan 0.000 0.526 420 V N 2.181 121.999 119.914 -0.159 0.000 2.531 420 V HA 0.339 4.459 4.120 -0.000 0.000 0.301 420 V C -2.324 173.482 176.094 -0.480 0.000 1.034 420 V CA -1.754 60.317 62.300 -0.381 0.000 0.865 420 V CB 2.277 33.924 31.823 -0.293 0.000 0.995 420 V HN -0.014 nan 8.190 nan 0.000 0.424 421 P HA 0.126 nan 4.420 nan 0.000 0.271 421 P C 0.595 177.689 177.300 -0.343 0.000 1.216 421 P CA -0.243 62.573 63.100 -0.474 0.000 0.776 421 P CB 1.267 32.663 31.700 -0.508 0.000 0.881 422 K N 2.113 122.375 120.400 -0.230 0.000 2.071 422 K HA -0.227 4.093 4.320 -0.000 0.000 0.217 422 K C 1.015 177.516 176.600 -0.164 0.000 1.054 422 K CA 2.369 58.553 56.287 -0.171 0.000 0.937 422 K CB -0.498 31.928 32.500 -0.123 0.000 0.719 422 K HN 0.486 nan 8.250 nan 0.000 0.454 423 C N 0.271 119.476 119.300 -0.158 0.000 2.697 423 C HA 0.379 4.839 4.460 -0.000 0.000 0.267 423 C C 0.837 175.741 174.990 -0.144 0.000 1.278 423 C CA -0.127 58.815 59.018 -0.126 0.000 1.708 423 C CB -1.043 26.644 27.740 -0.089 0.000 1.860 423 C HN 0.772 nan 8.230 nan 0.000 0.589 424 G N 0.139 108.797 108.800 -0.237 0.000 2.629 424 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.686 424 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.686 424 G C -0.595 174.153 174.900 -0.253 0.000 1.232 424 G CA -0.968 43.981 45.100 -0.252 0.000 0.803 424 G HN 0.153 nan 8.290 nan 0.000 0.638 425 F N 0.000 119.918 119.950 -0.054 0.000 2.286 425 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 425 F CA 0.000 57.976 58.000 -0.041 0.000 1.383 425 F CB 0.000 38.978 39.000 -0.036 0.000 1.145 425 F HN 0.000 nan 8.300 nan 0.000 0.574