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 2q29_1_A DATA FIRST_RESID 5 DATA SEQUENCE LQMTDGMHII VEALKQNNID TIYGVVGIPV TDMARHAQAE GIRYIGFRHE DATA SEQUENCE QSAGYAAAAS GFLTQKPGIC LTVSAPGFLN GLTALANATV NGFPMIMISG DATA SEQUENCE SSDRAIVDLQ QGDYEELDQM NAAKPYAKAA FRVNQPQDLG IALARAIRVS DATA SEQUENCE VSGRPGGVYL DLPANVLAAT MEKDEALTTI VKVENPSPAL LPCPKSVTSA DATA SEQUENCE ISLLAKAERP LIILGKGAAY SQADEQLREF IESAQIPFLP MSMAKGILED DATA SEQUENCE THPLSAAAAR SFALANADVV MLVGARLNWL LAHGKKGWAA DTQFIQLDIE DATA SEQUENCE PQEIDSNRPI AVPVVGDIAS SMQGMLAELK QNTFTTPLVW RDILNIHKQQ DATA SEQUENCE NAQKMHEKLS TDTQPLNYFN ALSAVRDVLR ENQDIYLVNE GANTLDNARN DATA SEQUENCE IIDMYKPRRR LDCGTWGVMG IGMGYAIGAS VTSGSPVVAI EGDSAFGFSG DATA SEQUENCE MEIETICRYN LPVTIVIFNN GGIYRGDGVD LSGAGAPSPT DLLHHARYDK DATA SEQUENCE LMDAFRGVGY NVTTTDELRH ALTTGIQSRK PTIINVVIDP AAGTES 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.855 176.870 -0.025 0.000 1.165 5 L CA 0.000 54.829 54.840 -0.019 0.000 0.813 5 L CB 0.000 42.049 42.059 -0.017 0.000 0.961 6 Q N 4.238 124.021 119.800 -0.027 0.000 2.286 6 Q HA 0.590 4.849 4.340 -0.134 0.000 0.257 6 Q C -0.533 175.440 176.000 -0.045 0.000 0.941 6 Q CA -0.313 55.468 55.803 -0.037 0.000 0.912 6 Q CB 1.415 30.133 28.738 -0.035 0.000 1.192 6 Q HN 0.470 nan 8.270 nan 0.000 0.410 7 M N 0.991 120.555 119.600 -0.060 0.000 2.598 7 M HA 0.470 4.870 4.480 -0.134 0.000 0.317 7 M C 0.125 176.362 176.300 -0.106 0.000 1.201 7 M CA -0.338 54.921 55.300 -0.068 0.000 0.971 7 M CB 1.618 34.182 32.600 -0.061 0.000 1.657 7 M HN 0.570 nan 8.290 nan 0.000 0.470 8 T N -0.200 114.293 114.554 -0.100 0.000 2.716 8 T HA 0.676 4.945 4.350 -0.134 0.000 0.286 8 T C -1.772 172.870 174.700 -0.096 0.000 1.052 8 T CA -0.455 61.555 62.100 -0.150 0.000 1.024 8 T CB 1.738 70.548 68.868 -0.096 0.000 1.349 8 T HN 0.789 nan 8.240 nan 0.000 0.525 9 D N -1.263 119.101 120.400 -0.060 0.000 2.636 9 D HA 0.493 5.053 4.640 -0.134 0.000 0.275 9 D C 1.306 177.641 176.300 0.059 0.000 1.130 9 D CA -0.172 53.834 54.000 0.010 0.000 1.031 9 D CB 0.317 41.129 40.800 0.019 0.000 1.451 9 D HN 0.662 nan 8.370 nan 0.000 0.505 10 G N -0.309 108.516 108.800 0.041 0.000 2.440 10 G HA2 -0.281 3.599 3.960 -0.134 0.000 0.218 10 G HA3 -0.281 3.599 3.960 -0.134 0.000 0.218 10 G C 1.233 176.163 174.900 0.051 0.000 1.154 10 G CA 1.097 46.219 45.100 0.037 0.000 0.767 10 G HN 0.440 nan 8.290 nan 0.000 0.552 11 M N 0.298 119.931 119.600 0.054 0.000 2.080 11 M HA -0.121 4.279 4.480 -0.134 0.000 0.260 11 M C 2.306 178.607 176.300 0.001 0.000 1.068 11 M CA 1.823 57.132 55.300 0.016 0.000 1.109 11 M CB -0.767 31.819 32.600 -0.024 0.000 1.342 11 M HN 0.372 nan 8.290 nan 0.000 0.405 12 H N -0.145 118.901 119.070 -0.041 0.000 2.389 12 H HA 0.028 4.503 4.556 -0.134 0.000 0.299 12 H C 2.008 177.369 175.328 0.056 0.000 1.081 12 H CA 2.014 58.053 56.048 -0.015 0.000 1.345 12 H CB -0.244 29.455 29.762 -0.105 0.000 1.393 12 H HN 0.399 nan 8.280 nan 0.000 0.520 13 I N -0.536 120.116 120.570 0.137 0.000 2.202 13 I HA -0.214 3.875 4.170 -0.134 0.000 0.242 13 I C 2.149 178.303 176.117 0.062 0.000 1.091 13 I CA 0.964 62.313 61.300 0.083 0.000 1.368 13 I CB -0.103 37.927 38.000 0.050 0.000 1.058 13 I HN 0.206 nan 8.210 nan 0.000 0.410 14 I N 0.189 120.790 120.570 0.052 0.000 2.315 14 I HA -0.193 3.896 4.170 -0.134 0.000 0.248 14 I C 2.302 178.445 176.117 0.043 0.000 1.117 14 I CA 1.449 62.772 61.300 0.038 0.000 1.404 14 I CB -0.150 37.867 38.000 0.028 0.000 1.071 14 I HN -0.075 nan 8.210 nan 0.000 0.419 15 V N 0.597 120.547 119.914 0.060 0.000 2.287 15 V HA -0.292 3.748 4.120 -0.134 0.000 0.248 15 V C 2.543 178.660 176.094 0.038 0.000 1.053 15 V CA 2.147 64.476 62.300 0.049 0.000 1.027 15 V CB -0.829 31.047 31.823 0.088 0.000 0.646 15 V HN 0.489 nan 8.190 nan 0.000 0.447 16 E N 0.736 120.978 120.200 0.069 0.000 2.110 16 E HA -0.180 4.089 4.350 -0.134 0.000 0.193 16 E C 2.086 178.705 176.600 0.032 0.000 0.988 16 E CA 1.675 58.107 56.400 0.055 0.000 0.804 16 E CB -0.476 29.270 29.700 0.077 0.000 0.745 16 E HN 0.519 nan 8.360 nan 0.000 0.458 17 A N 0.393 123.231 122.820 0.031 0.000 1.902 17 A HA -0.119 4.120 4.320 -0.134 0.000 0.217 17 A C 2.305 179.899 177.584 0.016 0.000 1.181 17 A CA 1.442 53.491 52.037 0.019 0.000 0.623 17 A CB -0.744 18.264 19.000 0.015 0.000 0.818 17 A HN 0.341 nan 8.150 nan 0.000 0.443 18 L N -0.699 120.535 121.223 0.018 0.000 2.017 18 L HA -0.222 4.037 4.340 -0.134 0.000 0.208 18 L C 2.625 179.499 176.870 0.008 0.000 1.073 18 L CA 1.816 56.665 54.840 0.016 0.000 0.745 18 L CB -0.456 41.613 42.059 0.018 0.000 0.894 18 L HN 0.342 nan 8.230 nan 0.000 0.432 19 K N -0.271 120.130 120.400 0.002 0.000 2.032 19 K HA -0.233 4.007 4.320 -0.134 0.000 0.209 19 K C 2.170 178.770 176.600 0.001 0.000 1.048 19 K CA 1.578 57.863 56.287 -0.005 0.000 0.927 19 K CB -0.185 32.310 32.500 -0.009 0.000 0.712 19 K HN 0.378 nan 8.250 nan 0.000 0.441 20 Q N 0.275 120.079 119.800 0.006 0.000 2.226 20 Q HA -0.136 4.124 4.340 -0.134 0.000 0.204 20 Q C 0.779 176.782 176.000 0.006 0.000 0.975 20 Q CA 1.200 57.007 55.803 0.006 0.000 0.866 20 Q CB -0.125 28.618 28.738 0.008 0.000 0.915 20 Q HN 0.332 nan 8.270 nan 0.000 0.440 21 N N 0.404 119.109 118.700 0.008 0.000 2.313 21 N HA 0.062 4.721 4.740 -0.134 0.000 0.207 21 N C -0.898 174.618 175.510 0.010 0.000 1.141 21 N CA -0.100 52.956 53.050 0.010 0.000 0.830 21 N CB 0.276 38.771 38.487 0.015 0.000 1.008 21 N HN 0.203 nan 8.380 nan 0.000 0.481 22 N N -0.091 118.612 118.700 0.005 0.000 2.747 22 N HA -0.151 4.508 4.740 -0.134 0.000 0.249 22 N C -1.130 174.382 175.510 0.003 0.000 1.107 22 N CA 0.162 53.213 53.050 0.002 0.000 0.707 22 N CB -0.576 37.912 38.487 0.002 0.000 1.054 22 N HN 0.191 nan 8.380 nan 0.000 0.555 23 I N 1.576 122.149 120.570 0.004 0.000 2.436 23 I HA 0.038 4.128 4.170 -0.134 0.000 0.289 23 I C 1.149 177.256 176.117 -0.015 0.000 1.083 23 I CA 0.248 61.550 61.300 0.003 0.000 1.372 23 I CB 0.704 38.712 38.000 0.013 0.000 1.408 23 I HN 0.214 nan 8.210 nan 0.000 0.516 24 D N 2.333 122.717 120.400 -0.027 0.000 2.469 24 D HA 0.071 4.630 4.640 -0.134 0.000 0.213 24 D C 0.020 176.269 176.300 -0.085 0.000 1.135 24 D CA -0.015 53.957 54.000 -0.046 0.000 0.834 24 D CB 0.525 41.302 40.800 -0.038 0.000 1.009 24 D HN 0.331 nan 8.370 nan 0.000 0.507 25 T N 0.294 114.779 114.554 -0.114 0.000 2.952 25 T HA 0.561 4.830 4.350 -0.134 0.000 0.305 25 T C -0.731 173.801 174.700 -0.280 0.000 1.064 25 T CA -0.536 61.410 62.100 -0.256 0.000 1.008 25 T CB 1.945 70.591 68.868 -0.371 0.000 1.078 25 T HN -0.002 nan 8.240 nan 0.000 0.459 26 I N 2.623 122.995 120.570 -0.330 0.000 2.466 26 I HA 0.432 4.521 4.170 -0.134 0.000 0.289 26 I C -1.309 174.558 176.117 -0.417 0.000 1.026 26 I CA -0.975 60.204 61.300 -0.202 0.000 1.078 26 I CB 1.699 39.747 38.000 0.080 0.000 1.249 26 I HN 0.598 nan 8.210 nan 0.000 0.429 27 Y N 4.135 124.414 120.300 -0.036 0.000 2.331 27 Y HA 0.780 5.249 4.550 -0.135 0.000 0.338 27 Y C 0.695 176.574 175.900 -0.035 0.000 0.992 27 Y CA -0.461 57.630 58.100 -0.014 0.000 1.121 27 Y CB 1.901 40.343 38.460 -0.030 0.000 1.184 27 Y HN 0.639 nan 8.280 nan 0.000 0.469 28 G N 0.679 109.575 108.800 0.160 0.000 2.554 28 G HA2 0.599 4.478 3.960 -0.134 0.000 0.306 28 G HA3 0.599 4.478 3.960 -0.134 0.000 0.306 28 G C -2.234 172.887 174.900 0.368 0.000 1.320 28 G CA -0.791 44.460 45.100 0.252 0.000 0.800 28 G HN 0.379 nan 8.290 nan 0.000 0.481 29 V N 0.651 120.753 119.914 0.314 0.000 2.668 29 V HA 0.613 4.652 4.120 -0.134 0.000 0.304 29 V C 0.596 176.825 176.094 0.225 0.000 1.071 29 V CA -0.513 61.956 62.300 0.282 0.000 0.894 29 V CB 1.082 33.006 31.823 0.168 0.000 1.008 29 V HN 1.200 nan 8.190 nan 0.000 0.425 30 V N 2.127 122.160 119.914 0.199 0.000 3.561 30 V HA 1.136 5.176 4.120 -0.134 0.000 0.290 30 V C 0.531 176.678 176.094 0.087 0.000 1.052 30 V CA 0.287 62.651 62.300 0.107 0.000 0.973 30 V CB 1.184 33.016 31.823 0.015 0.000 1.243 30 V HN 1.796 nan 8.190 nan 0.000 0.432 31 G N -0.953 107.886 108.800 0.065 0.000 2.359 31 G HA2 0.149 4.028 3.960 -0.134 0.000 0.303 31 G HA3 0.149 4.028 3.960 -0.134 0.000 0.303 31 G C -1.044 173.903 174.900 0.079 0.000 1.293 31 G CA -0.601 44.544 45.100 0.076 0.000 0.964 31 G HN 0.987 nan 8.290 nan 0.000 0.531 32 I N 1.981 122.611 120.570 0.100 0.000 2.710 32 I HA 0.229 4.319 4.170 -0.134 0.000 0.286 32 I C -1.148 175.050 176.117 0.134 0.000 1.181 32 I CA -1.068 60.284 61.300 0.086 0.000 1.430 32 I CB 1.313 39.338 38.000 0.041 0.000 1.367 32 I HN 0.329 nan 8.210 nan 0.000 0.577 33 P HA 0.077 nan 4.420 nan 0.000 0.262 33 P C 0.481 177.801 177.300 0.033 0.000 1.651 33 P CA 0.127 63.251 63.100 0.040 0.000 1.119 33 P CB 0.192 31.911 31.700 0.033 0.000 1.552 34 V N -4.943 114.997 119.914 0.043 0.000 3.528 34 V HA 0.155 4.194 4.120 -0.134 0.000 0.294 34 V C 1.666 177.757 176.094 -0.004 0.000 1.404 34 V CA 0.405 62.724 62.300 0.031 0.000 1.065 34 V CB -1.008 30.852 31.823 0.062 0.000 0.904 34 V HN -0.134 nan 8.190 nan 0.000 0.435 35 T N 1.104 115.651 114.554 -0.011 0.000 2.684 35 T HA -0.166 4.104 4.350 -0.134 0.000 0.267 35 T C 1.526 176.186 174.700 -0.066 0.000 1.036 35 T CA 2.371 64.442 62.100 -0.047 0.000 1.148 35 T CB -0.353 68.500 68.868 -0.025 0.000 0.863 35 T HN 0.523 nan 8.240 nan 0.000 0.436 36 D N 0.625 121.002 120.400 -0.039 0.000 2.144 36 D HA -0.018 4.541 4.640 -0.134 0.000 0.200 36 D C 1.956 178.232 176.300 -0.039 0.000 0.978 36 D CA 0.625 54.603 54.000 -0.037 0.000 0.833 36 D CB -0.373 40.410 40.800 -0.027 0.000 0.961 36 D HN 0.331 nan 8.370 nan 0.000 0.470 37 M N 0.525 120.104 119.600 -0.036 0.000 2.080 37 M HA -0.213 4.186 4.480 -0.134 0.000 0.260 37 M C 2.013 178.287 176.300 -0.042 0.000 1.068 37 M CA 1.863 57.150 55.300 -0.023 0.000 1.109 37 M CB 0.066 32.665 32.600 -0.003 0.000 1.342 37 M HN 0.005 nan 8.290 nan 0.000 0.405 38 A N 0.677 123.431 122.820 -0.111 0.000 1.877 38 A HA -0.193 4.047 4.320 -0.134 0.000 0.216 38 A C 2.095 179.545 177.584 -0.223 0.000 1.186 38 A CA 1.889 53.773 52.037 -0.254 0.000 0.620 38 A CB -0.741 17.909 19.000 -0.584 0.000 0.822 38 A HN 0.611 nan 8.150 nan 0.000 0.443 39 R N -1.785 118.619 120.500 -0.161 0.000 2.091 39 R HA -0.181 4.078 4.340 -0.134 0.000 0.238 39 R C 2.290 178.568 176.300 -0.035 0.000 1.136 39 R CA 1.750 57.796 56.100 -0.090 0.000 0.959 39 R CB -0.515 29.755 30.300 -0.051 0.000 0.856 39 R HN 0.801 nan 8.270 nan 0.000 0.437 40 H N 0.604 119.602 119.070 -0.120 0.000 2.363 40 H HA 0.073 4.549 4.556 -0.134 0.000 0.301 40 H C 1.876 177.144 175.328 -0.101 0.000 1.074 40 H CA 1.530 57.499 56.048 -0.132 0.000 1.354 40 H CB -0.170 29.441 29.762 -0.253 0.000 1.397 40 H HN 0.208 nan 8.280 nan 0.000 0.516 41 A N 0.526 123.240 122.820 -0.178 0.000 1.892 41 A HA -0.305 3.934 4.320 -0.134 0.000 0.218 41 A C 2.375 179.871 177.584 -0.146 0.000 1.188 41 A CA 2.129 54.063 52.037 -0.171 0.000 0.631 41 A CB -0.921 18.049 19.000 -0.049 0.000 0.822 41 A HN 0.686 nan 8.150 nan 0.000 0.447 42 Q N -0.828 118.917 119.800 -0.092 0.000 2.119 42 Q HA -0.093 4.166 4.340 -0.134 0.000 0.201 42 Q C 2.208 178.165 176.000 -0.073 0.000 0.972 42 Q CA 1.411 57.187 55.803 -0.046 0.000 0.847 42 Q CB -0.357 28.377 28.738 -0.007 0.000 0.903 42 Q HN 0.623 nan 8.270 nan 0.000 0.433 43 A N 1.021 123.777 122.820 -0.106 0.000 1.948 43 A HA -0.189 4.050 4.320 -0.134 0.000 0.220 43 A C 1.690 179.195 177.584 -0.132 0.000 1.177 43 A CA 1.620 53.600 52.037 -0.094 0.000 0.636 43 A CB -0.403 18.560 19.000 -0.061 0.000 0.815 43 A HN 0.385 nan 8.150 nan 0.000 0.449 44 E N -1.335 118.723 120.200 -0.236 0.000 2.494 44 E HA 0.197 4.466 4.350 -0.134 0.000 0.193 44 E C 1.178 177.714 176.600 -0.107 0.000 1.074 44 E CA 0.667 56.949 56.400 -0.196 0.000 0.867 44 E CB -0.175 29.343 29.700 -0.303 0.000 0.924 44 E HN 0.833 nan 8.360 nan 0.000 0.502 45 G N 1.472 110.223 108.800 -0.083 0.000 2.157 45 G HA2 -0.271 3.608 3.960 -0.134 0.000 0.239 45 G HA3 -0.271 3.608 3.960 -0.134 0.000 0.239 45 G C 0.369 175.241 174.900 -0.048 0.000 0.982 45 G CA -0.051 45.018 45.100 -0.051 0.000 0.650 45 G HN 0.271 nan 8.290 nan 0.000 0.527 46 I N 1.143 121.679 120.570 -0.057 0.000 2.496 46 I HA 0.212 4.302 4.170 -0.134 0.000 0.285 46 I C 1.239 177.335 176.117 -0.036 0.000 1.080 46 I CA -0.516 60.756 61.300 -0.047 0.000 1.404 46 I CB 0.830 38.806 38.000 -0.041 0.000 1.403 46 I HN 0.168 nan 8.210 nan 0.000 0.539 47 R N 6.132 126.591 120.500 -0.068 0.000 2.316 47 R HA 0.105 4.365 4.340 -0.134 0.000 0.314 47 R C -1.286 174.948 176.300 -0.109 0.000 1.069 47 R CA -0.257 55.789 56.100 -0.091 0.000 0.959 47 R CB 0.412 30.624 30.300 -0.148 0.000 0.987 47 R HN 0.520 nan 8.270 nan 0.000 0.446 48 Y N 6.467 126.680 120.300 -0.146 0.000 2.328 48 Y HA 0.343 4.813 4.550 -0.133 0.000 0.337 48 Y C -0.784 175.004 175.900 -0.185 0.000 1.008 48 Y CA -0.966 57.059 58.100 -0.125 0.000 1.129 48 Y CB 0.902 39.344 38.460 -0.030 0.000 1.185 48 Y HN 0.425 nan 8.280 nan 0.000 0.476 49 I N 6.505 126.511 120.570 -0.940 0.000 2.354 49 I HA 0.345 4.434 4.170 -0.134 0.000 0.286 49 I C 0.457 176.184 176.117 -0.650 0.000 1.007 49 I CA -0.504 60.316 61.300 -0.800 0.000 1.167 49 I CB 0.903 38.560 38.000 -0.572 0.000 1.320 49 I HN 0.844 nan 8.210 nan 0.000 0.458 50 G N 5.824 114.501 108.800 -0.204 0.000 2.332 50 G HA2 0.598 4.477 3.960 -0.134 0.000 0.310 50 G HA3 0.598 4.477 3.960 -0.134 0.000 0.310 50 G C -0.951 173.997 174.900 0.081 0.000 1.123 50 G CA -0.131 45.053 45.100 0.140 0.000 0.873 50 G HN 0.258 nan 8.290 nan 0.000 0.460 51 F N 0.530 120.547 119.950 0.112 0.000 2.518 51 F HA 0.530 4.976 4.527 -0.136 0.000 0.338 51 F C 1.535 177.385 175.800 0.084 0.000 1.065 51 F CA -1.189 56.870 58.000 0.099 0.000 1.012 51 F CB 1.655 40.706 39.000 0.086 0.000 1.297 51 F HN 0.211 nan 8.300 nan 0.000 0.489 52 R N -0.320 120.338 120.500 0.262 0.000 2.276 52 R HA 0.079 4.338 4.340 -0.134 0.000 0.196 52 R C -0.227 176.202 176.300 0.215 0.000 0.961 52 R CA 0.543 56.745 56.100 0.169 0.000 1.024 52 R CB -0.547 29.809 30.300 0.094 0.000 0.940 52 R HN 0.499 nan 8.270 nan 0.000 0.480 53 H N -0.394 118.759 119.070 0.138 0.000 3.086 53 H HA 0.149 4.624 4.556 -0.134 0.000 0.353 53 H C -0.215 175.117 175.328 0.005 0.000 1.134 53 H CA -0.245 55.837 56.048 0.055 0.000 1.248 53 H CB 1.725 31.501 29.762 0.024 0.000 1.878 53 H HN -0.229 nan 8.280 nan 0.000 0.527 54 E N 1.932 122.121 120.200 -0.018 0.000 2.204 54 E HA -0.198 4.071 4.350 -0.134 0.000 0.195 54 E C 2.090 178.619 176.600 -0.119 0.000 0.990 54 E CA 1.568 57.929 56.400 -0.065 0.000 0.821 54 E CB 0.157 29.788 29.700 -0.116 0.000 0.750 54 E HN 0.684 nan 8.360 nan 0.000 0.477 55 Q N 0.034 119.877 119.800 0.072 0.000 2.124 55 Q HA -0.111 4.148 4.340 -0.134 0.000 0.202 55 Q C 1.868 177.503 176.000 -0.610 0.000 0.977 55 Q CA 1.746 57.334 55.803 -0.359 0.000 0.850 55 Q CB -0.263 28.286 28.738 -0.315 0.000 0.901 55 Q HN 0.050 nan 8.270 nan 0.000 0.429 56 S N 1.052 116.607 115.700 -0.241 0.000 2.402 56 S HA -0.053 4.336 4.470 -0.134 0.000 0.229 56 S C 2.096 176.316 174.600 -0.635 0.000 1.021 56 S CA 0.894 59.005 58.200 -0.149 0.000 0.974 56 S CB -0.351 62.951 63.200 0.171 0.000 0.800 56 S HN 0.608 nan 8.310 nan 0.000 0.484 57 A N 1.558 123.755 122.820 -1.038 0.000 1.883 57 A HA 0.007 4.246 4.320 -0.134 0.000 0.217 57 A C 2.328 179.506 177.584 -0.676 0.000 1.186 57 A CA 1.829 52.997 52.037 -1.448 0.000 0.624 57 A CB -1.432 17.113 19.000 -0.760 0.000 0.822 57 A HN 0.521 nan 8.150 nan 0.000 0.444 58 G N -1.756 106.768 108.800 -0.461 0.000 2.418 58 G HA2 -0.170 3.709 3.960 -0.134 0.000 0.217 58 G HA3 -0.170 3.709 3.960 -0.134 0.000 0.217 58 G C 1.433 176.238 174.900 -0.158 0.000 1.158 58 G CA 1.157 46.082 45.100 -0.292 0.000 0.771 58 G HN 0.497 nan 8.290 nan 0.000 0.545 59 Y N 1.380 121.607 120.300 -0.120 0.000 2.181 59 Y HA 0.044 4.513 4.550 -0.134 0.000 0.288 59 Y C 3.132 179.077 175.900 0.076 0.000 1.146 59 Y CA 0.183 58.310 58.100 0.044 0.000 1.164 59 Y CB -1.051 37.341 38.460 -0.114 0.000 0.982 59 Y HN 0.262 nan 8.280 nan 0.000 0.515 60 A N 0.218 123.003 122.820 -0.057 0.000 1.883 60 A HA -0.169 4.070 4.320 -0.134 0.000 0.217 60 A C 2.543 179.768 177.584 -0.598 0.000 1.186 60 A CA 2.243 54.064 52.037 -0.360 0.000 0.624 60 A CB -1.280 17.362 19.000 -0.596 0.000 0.822 60 A HN 0.400 nan 8.150 nan 0.000 0.444 61 A N -0.210 122.306 122.820 -0.506 0.000 1.883 61 A HA 0.122 4.362 4.320 -0.134 0.000 0.217 61 A C 2.541 180.107 177.584 -0.030 0.000 1.186 61 A CA 2.346 54.267 52.037 -0.192 0.000 0.624 61 A CB -1.116 17.898 19.000 0.024 0.000 0.822 61 A HN 1.129 nan 8.150 nan 0.000 0.444 62 A N -0.203 122.647 122.820 0.049 0.000 1.902 62 A HA 0.155 4.394 4.320 -0.134 0.000 0.217 62 A C 2.527 180.080 177.584 -0.052 0.000 1.181 62 A CA 2.178 54.302 52.037 0.146 0.000 0.623 62 A CB -1.098 18.119 19.000 0.361 0.000 0.818 62 A HN 1.109 nan 8.150 nan 0.000 0.443 63 A N 0.495 123.206 122.820 -0.181 0.000 1.892 63 A HA -0.185 4.055 4.320 -0.134 0.000 0.218 63 A C 2.573 180.049 177.584 -0.179 0.000 1.188 63 A CA 2.818 54.621 52.037 -0.390 0.000 0.631 63 A CB -1.211 17.558 19.000 -0.385 0.000 0.822 63 A HN 1.133 nan 8.150 nan 0.000 0.447 64 S N -0.373 115.260 115.700 -0.111 0.000 2.383 64 S HA -0.028 4.361 4.470 -0.134 0.000 0.229 64 S C 2.038 176.650 174.600 0.019 0.000 1.030 64 S CA 1.640 59.831 58.200 -0.017 0.000 1.002 64 S CB -1.219 62.039 63.200 0.097 0.000 0.829 64 S HN 0.762 nan 8.310 nan 0.000 0.467 65 G N 0.583 109.412 108.800 0.049 0.000 2.402 65 G HA2 -0.114 3.765 3.960 -0.134 0.000 0.216 65 G HA3 -0.114 3.765 3.960 -0.134 0.000 0.216 65 G C 1.201 176.208 174.900 0.178 0.000 1.162 65 G CA 0.761 45.935 45.100 0.123 0.000 0.777 65 G HN 0.546 nan 8.290 nan 0.000 0.539 66 F N 1.376 121.246 119.950 -0.133 0.000 2.126 66 F HA 0.019 4.464 4.527 -0.137 0.000 0.299 66 F C 2.300 178.068 175.800 -0.052 0.000 1.096 66 F CA 1.162 59.064 58.000 -0.164 0.000 1.255 66 F CB -0.168 38.298 39.000 -0.890 0.000 0.997 66 F HN 0.050 nan 8.300 nan 0.000 0.479 67 L N -0.436 120.658 121.223 -0.215 0.000 2.217 67 L HA -0.086 4.173 4.340 -0.134 0.000 0.211 67 L C 2.148 178.876 176.870 -0.236 0.000 1.107 67 L CA 1.627 56.303 54.840 -0.272 0.000 0.783 67 L CB -0.817 41.195 42.059 -0.078 0.000 0.919 67 L HN 0.386 nan 8.230 nan 0.000 0.442 68 T N -5.930 108.533 114.554 -0.151 0.000 2.958 68 T HA 0.098 4.367 4.350 -0.134 0.000 0.256 68 T C 0.929 175.552 174.700 -0.128 0.000 0.983 68 T CA -0.105 61.924 62.100 -0.118 0.000 0.924 68 T CB 0.464 69.306 68.868 -0.043 0.000 1.136 68 T HN 0.290 nan 8.240 nan 0.000 0.506 69 Q N -0.080 119.663 119.800 -0.095 0.000 2.416 69 Q HA -0.198 4.061 4.340 -0.134 0.000 0.235 69 Q C -0.088 175.963 176.000 0.084 0.000 0.773 69 Q CA 1.177 56.982 55.803 0.002 0.000 1.286 69 Q CB -1.595 27.018 28.738 -0.208 0.000 1.556 69 Q HN 0.705 nan 8.270 nan 0.000 0.650 70 K N 1.796 122.237 120.400 0.067 0.000 2.206 70 K HA 0.384 4.624 4.320 -0.134 0.000 0.264 70 K C -2.487 174.175 176.600 0.103 0.000 0.967 70 K CA -2.235 54.095 56.287 0.073 0.000 0.844 70 K CB 1.417 33.943 32.500 0.042 0.000 1.099 70 K HN -0.219 nan 8.250 nan 0.000 0.441 71 P HA 0.042 nan 4.420 nan 0.000 0.267 71 P C -0.119 177.255 177.300 0.124 0.000 1.205 71 P CA -0.114 63.059 63.100 0.122 0.000 0.765 71 P CB 0.868 32.636 31.700 0.113 0.000 0.828 72 G N 4.043 112.926 108.800 0.139 0.000 2.491 72 G HA2 0.339 4.218 3.960 -0.134 0.000 0.242 72 G HA3 0.339 4.218 3.960 -0.134 0.000 0.242 72 G C -0.250 174.757 174.900 0.179 0.000 1.266 72 G CA -0.395 44.813 45.100 0.180 0.000 0.844 72 G HN 0.412 nan 8.290 nan 0.000 0.571 73 I N 0.902 121.602 120.570 0.218 0.000 2.362 73 I HA 0.273 4.362 4.170 -0.134 0.000 0.289 73 I C -0.047 176.196 176.117 0.211 0.000 0.994 73 I CA -1.053 60.350 61.300 0.171 0.000 1.158 73 I CB 0.887 38.957 38.000 0.116 0.000 1.315 73 I HN 0.408 nan 8.210 nan 0.000 0.451 74 C N 8.254 127.649 119.300 0.159 0.000 2.379 74 C HA 0.732 5.112 4.460 -0.134 0.000 0.323 74 C C -0.559 174.515 174.990 0.140 0.000 1.262 74 C CA -0.515 58.581 59.018 0.129 0.000 1.581 74 C CB 0.781 28.550 27.740 0.049 0.000 2.221 74 C HN 0.686 nan 8.230 nan 0.000 0.497 75 L N 6.848 128.168 121.223 0.161 0.000 2.333 75 L HA 0.834 5.094 4.340 -0.134 0.000 0.280 75 L C 0.276 177.253 176.870 0.177 0.000 1.004 75 L CA 0.544 55.495 54.840 0.184 0.000 0.820 75 L CB 1.903 44.103 42.059 0.235 0.000 1.247 75 L HN 0.961 nan 8.230 nan 0.000 0.416 76 T N 1.991 116.649 114.554 0.175 0.000 2.887 76 T HA 0.733 5.003 4.350 -0.134 0.000 0.292 76 T C 0.204 175.006 174.700 0.169 0.000 1.087 76 T CA -0.143 62.052 62.100 0.159 0.000 1.009 76 T CB 1.128 70.079 68.868 0.139 0.000 1.203 76 T HN 0.737 nan 8.240 nan 0.000 0.518 77 V N 0.475 120.477 119.914 0.146 0.000 3.751 77 V HA 0.644 4.683 4.120 -0.134 0.000 0.274 77 V C 1.006 177.204 176.094 0.174 0.000 0.960 77 V CA -0.054 62.334 62.300 0.146 0.000 0.960 77 V CB -0.226 31.672 31.823 0.125 0.000 1.244 77 V HN 1.276 nan 8.190 nan 0.000 0.417 78 S N 0.168 115.957 115.700 0.147 0.000 2.562 78 S HA 0.503 4.892 4.470 -0.134 0.000 0.256 78 S C 1.681 176.342 174.600 0.103 0.000 1.248 78 S CA 0.034 58.301 58.200 0.113 0.000 0.988 78 S CB -0.274 62.985 63.200 0.098 0.000 1.035 78 S HN 1.845 nan 8.310 nan 0.000 0.548 79 A N 2.549 125.391 122.820 0.037 0.000 1.865 79 A HA -0.229 4.010 4.320 -0.134 0.000 0.244 79 A C 0.323 177.974 177.584 0.112 0.000 1.984 79 A CA 2.656 54.738 52.037 0.074 0.000 0.785 79 A CB -2.752 16.240 19.000 -0.013 0.000 0.849 79 A HN 0.814 nan 8.150 nan 0.000 0.501 80 P HA -0.116 nan 4.420 nan 0.000 0.215 80 P C 1.682 178.972 177.300 -0.016 0.000 1.153 80 P CA 2.068 65.162 63.100 -0.011 0.000 0.853 80 P CB -0.584 31.086 31.700 -0.050 0.000 0.788 81 G N -0.691 108.118 108.800 0.015 0.000 2.396 81 G HA2 -0.227 3.652 3.960 -0.134 0.000 0.214 81 G HA3 -0.227 3.652 3.960 -0.134 0.000 0.214 81 G C 1.415 176.324 174.900 0.015 0.000 1.166 81 G CA 0.253 45.349 45.100 -0.006 0.000 0.793 81 G HN 0.204 nan 8.290 nan 0.000 0.533 82 F N 1.419 121.346 119.950 -0.039 0.000 2.091 82 F HA -0.087 4.360 4.527 -0.134 0.000 0.299 82 F C 2.311 178.050 175.800 -0.102 0.000 1.103 82 F CA 1.460 59.429 58.000 -0.052 0.000 1.228 82 F CB -0.285 38.687 39.000 -0.046 0.000 0.984 82 F HN 0.052 nan 8.300 nan 0.000 0.477 83 L N 0.280 121.379 121.223 -0.207 0.000 2.083 83 L HA -0.256 4.004 4.340 -0.134 0.000 0.209 83 L C 2.307 178.985 176.870 -0.319 0.000 1.083 83 L CA 1.298 55.934 54.840 -0.341 0.000 0.752 83 L CB -0.845 41.167 42.059 -0.079 0.000 0.899 83 L HN 0.209 nan 8.230 nan 0.000 0.433 84 N N 0.347 118.922 118.700 -0.209 0.000 2.084 84 N HA -0.145 4.514 4.740 -0.134 0.000 0.190 84 N C 1.818 177.203 175.510 -0.208 0.000 1.030 84 N CA 1.615 54.577 53.050 -0.148 0.000 0.849 84 N CB -0.686 37.678 38.487 -0.205 0.000 1.012 84 N HN 0.339 nan 8.380 nan 0.000 0.423 85 G N 0.952 109.596 108.800 -0.260 0.000 2.422 85 G HA2 -0.183 3.696 3.960 -0.134 0.000 0.218 85 G HA3 -0.183 3.696 3.960 -0.134 0.000 0.218 85 G C 1.561 176.250 174.900 -0.351 0.000 1.146 85 G CA 0.410 45.347 45.100 -0.272 0.000 0.769 85 G HN 0.250 nan 8.290 nan 0.000 0.547 86 L N 1.934 122.833 121.223 -0.540 0.000 2.079 86 L HA -0.103 4.156 4.340 -0.134 0.000 0.210 86 L C 3.174 179.810 176.870 -0.389 0.000 1.081 86 L CA 2.758 57.258 54.840 -0.567 0.000 0.752 86 L CB -1.056 40.489 42.059 -0.858 0.000 0.896 86 L HN 0.395 nan 8.230 nan 0.000 0.433 87 T N -3.169 111.182 114.554 -0.339 0.000 2.759 87 T HA -0.193 4.076 4.350 -0.134 0.000 0.269 87 T C 1.848 176.472 174.700 -0.126 0.000 1.042 87 T CA 1.319 63.285 62.100 -0.225 0.000 1.140 87 T CB -0.843 67.928 68.868 -0.161 0.000 0.864 87 T HN 0.385 nan 8.240 nan 0.000 0.455 88 A N 1.135 123.799 122.820 -0.259 0.000 1.930 88 A HA 0.291 4.531 4.320 -0.134 0.000 0.215 88 A C 2.302 179.855 177.584 -0.051 0.000 1.176 88 A CA 1.133 53.012 52.037 -0.262 0.000 0.632 88 A CB -0.852 17.766 19.000 -0.637 0.000 0.819 88 A HN 0.454 nan 8.150 nan 0.000 0.445 89 L N 0.042 121.207 121.223 -0.096 0.000 2.042 89 L HA -0.148 4.111 4.340 -0.134 0.000 0.210 89 L C 2.694 179.569 176.870 0.007 0.000 1.076 89 L CA 2.131 56.957 54.840 -0.023 0.000 0.749 89 L CB -0.648 41.389 42.059 -0.037 0.000 0.893 89 L HN 0.365 nan 8.230 nan 0.000 0.432 90 A N -0.747 122.071 122.820 -0.003 0.000 1.908 90 A HA -0.291 3.948 4.320 -0.134 0.000 0.218 90 A C 2.299 179.836 177.584 -0.078 0.000 1.181 90 A CA 2.058 54.127 52.037 0.054 0.000 0.627 90 A CB -1.000 18.062 19.000 0.103 0.000 0.818 90 A HN 0.676 nan 8.150 nan 0.000 0.445 91 N N 0.040 118.771 118.700 0.051 0.000 2.166 91 N HA -0.129 4.531 4.740 -0.134 0.000 0.186 91 N C 1.956 177.402 175.510 -0.106 0.000 1.019 91 N CA 1.253 54.312 53.050 0.015 0.000 0.856 91 N CB -0.181 38.483 38.487 0.294 0.000 0.993 91 N HN 0.401 nan 8.380 nan 0.000 0.426 92 A N 0.379 123.202 122.820 0.004 0.000 1.877 92 A HA -0.116 4.123 4.320 -0.134 0.000 0.216 92 A C 2.315 179.796 177.584 -0.171 0.000 1.186 92 A CA 2.011 54.041 52.037 -0.011 0.000 0.620 92 A CB -1.091 17.984 19.000 0.124 0.000 0.822 92 A HN 0.381 nan 8.150 nan 0.000 0.443 93 T N -0.328 114.138 114.554 -0.148 0.000 2.746 93 T HA -0.115 4.154 4.350 -0.134 0.000 0.267 93 T C 1.865 176.385 174.700 -0.300 0.000 1.039 93 T CA 1.546 63.540 62.100 -0.176 0.000 1.142 93 T CB -0.443 68.360 68.868 -0.108 0.000 0.866 93 T HN 0.150 nan 8.240 nan 0.000 0.444 94 V N 2.058 121.704 119.914 -0.446 0.000 2.343 94 V HA -0.175 3.865 4.120 -0.134 0.000 0.247 94 V C 2.036 177.831 176.094 -0.499 0.000 1.051 94 V CA 1.782 63.734 62.300 -0.580 0.000 1.036 94 V CB -0.666 30.515 31.823 -1.069 0.000 0.654 94 V HN 0.486 nan 8.190 nan 0.000 0.451 95 N N -0.370 117.971 118.700 -0.598 0.000 2.446 95 N HA 0.194 4.854 4.740 -0.134 0.000 0.179 95 N C 1.167 176.186 175.510 -0.819 0.000 1.054 95 N CA 0.823 53.376 53.050 -0.829 0.000 0.905 95 N CB 0.432 38.076 38.487 -1.404 0.000 0.973 95 N HN 0.540 nan 8.380 nan 0.000 0.448 96 G N -0.134 108.334 108.800 -0.553 0.000 2.171 96 G HA2 -0.221 3.659 3.960 -0.134 0.000 0.238 96 G HA3 -0.221 3.659 3.960 -0.134 0.000 0.238 96 G C -0.664 174.157 174.900 -0.131 0.000 1.039 96 G CA -0.474 44.438 45.100 -0.312 0.000 0.759 96 G HN 0.124 nan 8.290 nan 0.000 0.501 97 F N 1.118 120.991 119.950 -0.129 0.000 2.436 97 F HA 0.525 4.972 4.527 -0.133 0.000 0.340 97 F C -1.637 174.143 175.800 -0.033 0.000 1.113 97 F CA -3.820 54.142 58.000 -0.063 0.000 1.022 97 F CB 1.702 40.705 39.000 0.005 0.000 1.128 97 F HN -0.096 nan 8.300 nan 0.000 0.466 98 P HA 0.391 nan 4.420 nan 0.000 0.281 98 P C -0.847 176.546 177.300 0.154 0.000 1.252 98 P CA -0.225 62.959 63.100 0.139 0.000 0.778 98 P CB 1.361 33.154 31.700 0.155 0.000 0.895 99 M N 1.765 121.444 119.600 0.131 0.000 2.603 99 M HA 0.594 4.993 4.480 -0.134 0.000 0.275 99 M C -1.904 174.470 176.300 0.124 0.000 1.226 99 M CA -0.941 54.436 55.300 0.129 0.000 0.870 99 M CB 1.965 34.642 32.600 0.128 0.000 1.716 99 M HN -0.019 nan 8.290 nan 0.000 0.482 100 I N 2.344 122.990 120.570 0.128 0.000 2.447 100 I HA 0.458 4.547 4.170 -0.134 0.000 0.287 100 I C -1.010 175.194 176.117 0.145 0.000 1.023 100 I CA -0.588 60.793 61.300 0.135 0.000 1.083 100 I CB 2.150 40.222 38.000 0.121 0.000 1.245 100 I HN 0.824 nan 8.210 nan 0.000 0.434 101 M N 7.663 127.373 119.600 0.184 0.000 2.113 101 M HA 0.528 4.927 4.480 -0.134 0.000 0.352 101 M C -1.264 175.187 176.300 0.251 0.000 1.170 101 M CA -0.239 55.193 55.300 0.219 0.000 1.053 101 M CB 0.712 33.460 32.600 0.246 0.000 1.601 101 M HN 0.474 nan 8.290 nan 0.000 0.459 102 I N 4.070 124.752 120.570 0.187 0.000 2.339 102 I HA 0.334 4.423 4.170 -0.134 0.000 0.290 102 I C -0.499 175.742 176.117 0.208 0.000 0.994 102 I CA -0.348 61.028 61.300 0.128 0.000 1.191 102 I CB 1.694 39.749 38.000 0.093 0.000 1.343 102 I HN 0.634 nan 8.210 nan 0.000 0.458 103 S N 3.611 119.463 115.700 0.253 0.000 2.521 103 S HA 0.571 4.960 4.470 -0.134 0.000 0.295 103 S C 0.204 174.917 174.600 0.189 0.000 1.098 103 S CA -0.741 57.651 58.200 0.320 0.000 0.999 103 S CB 1.967 65.534 63.200 0.612 0.000 1.034 103 S HN 0.794 nan 8.310 nan 0.000 0.483 104 G N 1.746 110.638 108.800 0.154 0.000 2.544 104 G HA2 0.461 4.340 3.960 -0.134 0.000 0.242 104 G HA3 0.461 4.340 3.960 -0.134 0.000 0.242 104 G C 0.024 174.989 174.900 0.108 0.000 1.247 104 G CA -0.163 45.002 45.100 0.109 0.000 0.840 104 G HN 0.816 nan 8.290 nan 0.000 0.578 105 S N 0.078 115.822 115.700 0.073 0.000 2.732 105 S HA 0.799 5.188 4.470 -0.134 0.000 0.293 105 S C 0.206 174.843 174.600 0.062 0.000 1.159 105 S CA -0.561 57.669 58.200 0.050 0.000 0.847 105 S CB 1.785 64.994 63.200 0.014 0.000 1.169 105 S HN 0.593 nan 8.310 nan 0.000 0.501 106 S N 0.319 116.056 115.700 0.061 0.000 2.337 106 S HA 0.413 4.802 4.470 -0.134 0.000 0.258 106 S C -0.552 174.076 174.600 0.047 0.000 1.178 106 S CA -0.454 57.797 58.200 0.084 0.000 1.023 106 S CB -0.213 63.062 63.200 0.126 0.000 1.136 106 S HN 0.861 nan 8.310 nan 0.000 0.458 107 D N 0.814 121.241 120.400 0.045 0.000 2.339 107 D HA 0.175 4.734 4.640 -0.134 0.000 0.241 107 D C 1.008 177.321 176.300 0.021 0.000 1.183 107 D CA -0.219 53.797 54.000 0.027 0.000 0.859 107 D CB 0.544 41.359 40.800 0.025 0.000 1.067 107 D HN 0.211 nan 8.370 nan 0.000 0.484 108 R N 3.099 123.608 120.500 0.016 0.000 2.117 108 R HA -0.185 4.074 4.340 -0.134 0.000 0.243 108 R C 1.693 178.000 176.300 0.011 0.000 1.143 108 R CA 1.449 57.556 56.100 0.012 0.000 0.968 108 R CB -0.644 29.663 30.300 0.011 0.000 0.863 108 R HN 0.547 nan 8.270 nan 0.000 0.444 109 A N 1.011 123.838 122.820 0.011 0.000 1.898 109 A HA -0.088 4.152 4.320 -0.134 0.000 0.216 109 A C 2.288 179.879 177.584 0.011 0.000 1.181 109 A CA 1.082 53.124 52.037 0.010 0.000 0.620 109 A CB -0.374 18.631 19.000 0.008 0.000 0.819 109 A HN 0.191 nan 8.150 nan 0.000 0.442 110 I N -0.508 120.071 120.570 0.014 0.000 2.286 110 I HA -0.159 3.930 4.170 -0.134 0.000 0.245 110 I C 2.278 178.404 176.117 0.015 0.000 1.104 110 I CA 0.885 62.195 61.300 0.017 0.000 1.397 110 I CB -0.375 37.639 38.000 0.024 0.000 1.072 110 I HN 0.124 nan 8.210 nan 0.000 0.417 111 V N 0.761 120.684 119.914 0.015 0.000 2.343 111 V HA -0.279 3.760 4.120 -0.134 0.000 0.247 111 V C 1.986 178.083 176.094 0.005 0.000 1.051 111 V CA 1.924 64.229 62.300 0.008 0.000 1.036 111 V CB -0.658 31.168 31.823 0.004 0.000 0.654 111 V HN 0.366 nan 8.190 nan 0.000 0.451 112 D N -0.115 120.289 120.400 0.006 0.000 2.263 112 D HA -0.068 4.491 4.640 -0.134 0.000 0.208 112 D C 1.743 178.046 176.300 0.006 0.000 0.971 112 D CA 1.042 55.045 54.000 0.006 0.000 0.867 112 D CB -0.034 40.770 40.800 0.007 0.000 0.929 112 D HN 0.363 nan 8.370 nan 0.000 0.492 113 L N -0.240 120.987 121.223 0.007 0.000 2.607 113 L HA 0.130 4.389 4.340 -0.134 0.000 0.228 113 L C 0.139 177.013 176.870 0.006 0.000 1.123 113 L CA 0.044 54.888 54.840 0.007 0.000 0.890 113 L CB 0.011 42.074 42.059 0.007 0.000 1.103 113 L HN -0.096 nan 8.230 nan 0.000 0.468 114 Q N 0.464 120.268 119.800 0.006 0.000 2.451 114 Q HA -0.291 3.968 4.340 -0.134 0.000 0.305 114 Q C 0.678 176.682 176.000 0.007 0.000 1.345 114 Q CA 0.394 56.200 55.803 0.005 0.000 0.854 114 Q CB -1.268 27.473 28.738 0.004 0.000 1.162 114 Q HN 0.592 nan 8.270 nan 0.000 0.440 115 Q N -0.664 119.142 119.800 0.010 0.000 2.360 115 Q HA 0.169 4.428 4.340 -0.134 0.000 0.202 115 Q C 1.024 177.033 176.000 0.014 0.000 0.915 115 Q CA 0.498 56.308 55.803 0.012 0.000 0.943 115 Q CB 0.772 29.518 28.738 0.013 0.000 1.064 115 Q HN 0.655 nan 8.270 nan 0.000 0.511 116 G N 2.229 111.038 108.800 0.014 0.000 2.356 116 G HA2 -0.188 3.692 3.960 -0.134 0.000 0.233 116 G HA3 -0.188 3.692 3.960 -0.134 0.000 0.233 116 G C -0.507 174.411 174.900 0.030 0.000 1.105 116 G CA -0.101 45.008 45.100 0.015 0.000 0.861 116 G HN 0.266 nan 8.290 nan 0.000 0.493 117 D N -0.919 119.503 120.400 0.037 0.000 2.362 117 D HA 0.235 4.795 4.640 -0.134 0.000 0.238 117 D C 0.922 177.279 176.300 0.095 0.000 1.212 117 D CA -0.219 53.824 54.000 0.071 0.000 0.902 117 D CB 0.243 41.083 40.800 0.067 0.000 1.180 117 D HN 0.333 nan 8.370 nan 0.000 0.445 118 Y N 1.773 122.075 120.300 0.003 0.000 2.805 118 Y HA -0.090 4.379 4.550 -0.135 0.000 0.331 118 Y C 0.740 176.643 175.900 0.005 0.000 1.241 118 Y CA 0.658 58.761 58.100 0.005 0.000 1.546 118 Y CB -0.080 38.384 38.460 0.006 0.000 1.248 118 Y HN 0.544 nan 8.280 nan 0.000 0.559 119 E N 2.887 122.828 120.200 -0.431 0.000 2.183 119 E HA -0.369 3.901 4.350 -0.134 0.000 0.196 119 E C -0.408 176.135 176.600 -0.095 0.000 1.364 119 E CA 0.898 57.119 56.400 -0.298 0.000 0.700 119 E CB -0.882 28.582 29.700 -0.393 0.000 1.106 119 E HN 0.714 nan 8.360 nan 0.000 0.347 120 E N 1.303 121.467 120.200 -0.061 0.000 2.257 120 E HA 0.335 4.604 4.350 -0.134 0.000 0.278 120 E C -0.738 175.839 176.600 -0.037 0.000 1.049 120 E CA -0.306 56.078 56.400 -0.026 0.000 0.876 120 E CB 0.560 30.254 29.700 -0.010 0.000 1.035 120 E HN 0.226 nan 8.360 nan 0.000 0.419 121 L N 4.474 125.666 121.223 -0.052 0.000 2.643 121 L HA 0.221 4.480 4.340 -0.134 0.000 0.256 121 L C -1.666 175.144 176.870 -0.100 0.000 0.931 121 L CA -0.641 54.158 54.840 -0.069 0.000 0.895 121 L CB 2.101 44.112 42.059 -0.080 0.000 1.430 121 L HN 0.485 nan 8.230 nan 0.000 0.419 122 D N 2.870 123.227 120.400 -0.072 0.000 2.455 122 D HA 0.148 4.708 4.640 -0.134 0.000 0.234 122 D C 0.675 176.892 176.300 -0.137 0.000 1.224 122 D CA 0.275 54.233 54.000 -0.070 0.000 0.999 122 D CB 0.807 41.592 40.800 -0.024 0.000 1.072 122 D HN 0.670 nan 8.370 nan 0.000 0.514 123 Q N 2.441 122.068 119.800 -0.288 0.000 2.167 123 Q HA -0.138 4.121 4.340 -0.134 0.000 0.202 123 Q C 1.947 177.773 176.000 -0.289 0.000 0.970 123 Q CA 0.894 56.262 55.803 -0.724 0.000 0.855 123 Q CB 0.159 28.161 28.738 -1.227 0.000 0.911 123 Q HN 0.574 nan 8.270 nan 0.000 0.438 124 M N 0.824 120.465 119.600 0.068 0.000 2.067 124 M HA -0.232 4.167 4.480 -0.134 0.000 0.260 124 M C 1.781 178.157 176.300 0.127 0.000 1.069 124 M CA 1.835 57.284 55.300 0.248 0.000 1.117 124 M CB -0.092 32.604 32.600 0.160 0.000 1.334 124 M HN 0.148 nan 8.290 nan 0.000 0.407 125 N N 0.275 119.008 118.700 0.056 0.000 2.188 125 N HA -0.065 4.595 4.740 -0.134 0.000 0.184 125 N C 1.581 177.127 175.510 0.061 0.000 1.018 125 N CA 1.708 54.783 53.050 0.042 0.000 0.858 125 N CB -0.172 38.328 38.487 0.023 0.000 0.989 125 N HN 0.428 nan 8.380 nan 0.000 0.426 126 A N 0.042 122.910 122.820 0.079 0.000 1.940 126 A HA 0.015 4.254 4.320 -0.134 0.000 0.219 126 A C 2.219 179.962 177.584 0.266 0.000 1.176 126 A CA 1.835 53.980 52.037 0.181 0.000 0.631 126 A CB -1.007 18.147 19.000 0.256 0.000 0.814 126 A HN 0.443 nan 8.150 nan 0.000 0.446 127 A N -0.884 122.076 122.820 0.233 0.000 2.072 127 A HA 0.068 4.307 4.320 -0.134 0.000 0.216 127 A C 1.954 179.629 177.584 0.150 0.000 1.156 127 A CA 1.185 53.349 52.037 0.211 0.000 0.701 127 A CB -0.270 18.756 19.000 0.044 0.000 0.816 127 A HN 0.498 nan 8.150 nan 0.000 0.458 128 K N -0.072 120.371 120.400 0.071 0.000 2.059 128 K HA -0.170 4.069 4.320 -0.134 0.000 0.212 128 K C -0.884 175.643 176.600 -0.122 0.000 1.050 128 K CA 2.023 58.299 56.287 -0.019 0.000 0.927 128 K CB -0.987 31.495 32.500 -0.029 0.000 0.714 128 K HN 0.359 nan 8.250 nan 0.000 0.447 129 P HA -0.129 nan 4.420 nan 0.000 0.225 129 P C 0.163 177.086 177.300 -0.629 0.000 1.148 129 P CA 1.211 63.987 63.100 -0.540 0.000 0.779 129 P CB 0.111 31.306 31.700 -0.841 0.000 0.780 130 Y N -1.826 118.472 120.300 -0.003 0.000 2.531 130 Y HA 0.573 5.042 4.550 -0.135 0.000 0.249 130 Y C 0.919 176.796 175.900 -0.038 0.000 1.168 130 Y CA -0.659 57.431 58.100 -0.017 0.000 1.226 130 Y CB 0.083 38.538 38.460 -0.008 0.000 1.177 130 Y HN -0.168 nan 8.280 nan 0.000 0.527 131 A N -0.237 122.615 122.820 0.053 0.000 2.469 131 A HA 0.496 4.736 4.320 -0.134 0.000 0.299 131 A C 0.674 178.244 177.584 -0.023 0.000 1.098 131 A CA -0.760 51.298 52.037 0.036 0.000 0.737 131 A CB 1.522 20.570 19.000 0.079 0.000 1.312 131 A HN 0.151 nan 8.150 nan 0.000 0.414 132 K N -0.023 120.363 120.400 -0.023 0.000 2.097 132 K HA 0.153 4.392 4.320 -0.134 0.000 0.206 132 K C 0.667 177.219 176.600 -0.080 0.000 1.049 132 K CA 1.670 57.933 56.287 -0.039 0.000 0.933 132 K CB -0.026 32.466 32.500 -0.012 0.000 0.717 132 K HN 0.829 nan 8.250 nan 0.000 0.442 133 A N -0.054 122.686 122.820 -0.133 0.000 2.612 133 A HA 0.701 4.940 4.320 -0.134 0.000 0.293 133 A C -1.833 175.516 177.584 -0.392 0.000 1.075 133 A CA -0.642 51.184 52.037 -0.352 0.000 0.680 133 A CB 1.818 20.471 19.000 -0.578 0.000 1.279 133 A HN 0.068 nan 8.150 nan 0.000 0.411 134 A N 0.827 123.354 122.820 -0.487 0.000 2.353 134 A HA 0.803 5.042 4.320 -0.134 0.000 0.299 134 A C -1.415 175.946 177.584 -0.372 0.000 1.089 134 A CA -0.296 51.612 52.037 -0.215 0.000 0.736 134 A CB 0.295 19.360 19.000 0.108 0.000 1.195 134 A HN 0.829 nan 8.150 nan 0.000 0.447 135 F N 0.775 120.734 119.950 0.016 0.000 2.522 135 F HA 0.759 5.205 4.527 -0.135 0.000 0.324 135 F C 0.504 176.251 175.800 -0.090 0.000 1.077 135 F CA -0.572 57.411 58.000 -0.028 0.000 0.944 135 F CB 2.184 41.161 39.000 -0.037 0.000 1.175 135 F HN 0.646 nan 8.300 nan 0.000 0.468 136 R N 1.285 121.872 120.500 0.145 0.000 2.621 136 R HA 0.797 5.057 4.340 -0.134 0.000 0.292 136 R C -2.154 174.170 176.300 0.039 0.000 0.969 136 R CA -0.636 55.490 56.100 0.044 0.000 0.887 136 R CB 1.821 32.146 30.300 0.043 0.000 1.180 136 R HN 0.546 nan 8.270 nan 0.000 0.450 137 V N 4.741 124.659 119.914 0.006 0.000 2.334 137 V HA 0.233 4.272 4.120 -0.134 0.000 0.281 137 V C 0.072 176.167 176.094 0.001 0.000 1.016 137 V CA -0.615 61.685 62.300 -0.001 0.000 0.832 137 V CB 1.361 33.176 31.823 -0.014 0.000 0.999 137 V HN 0.899 nan 8.190 nan 0.000 0.439 138 N N 2.390 121.092 118.700 0.004 0.000 2.405 138 N HA 0.089 4.748 4.740 -0.134 0.000 0.175 138 N C 0.243 175.753 175.510 0.001 0.000 1.051 138 N CA 0.300 53.353 53.050 0.004 0.000 0.899 138 N CB 0.382 38.873 38.487 0.007 0.000 1.000 138 N HN 0.711 nan 8.380 nan 0.000 0.451 139 Q N 0.137 119.935 119.800 -0.002 0.000 2.340 139 Q HA 0.267 4.527 4.340 -0.134 0.000 0.268 139 Q C -1.993 174.004 176.000 -0.005 0.000 1.031 139 Q CA -2.078 53.722 55.803 -0.004 0.000 0.804 139 Q CB 2.389 31.124 28.738 -0.006 0.000 1.286 139 Q HN 0.012 nan 8.270 nan 0.000 0.448 140 P HA -0.247 nan 4.420 nan 0.000 0.220 140 P C 0.981 178.279 177.300 -0.003 0.000 1.148 140 P CA 1.318 64.418 63.100 -0.000 0.000 0.803 140 P CB 0.302 32.004 31.700 0.003 0.000 0.782 141 Q N -0.330 119.466 119.800 -0.007 0.000 2.437 141 Q HA -0.114 4.145 4.340 -0.134 0.000 0.210 141 Q C 0.409 176.399 176.000 -0.016 0.000 0.972 141 Q CA 1.255 57.052 55.803 -0.009 0.000 0.903 141 Q CB -0.751 27.981 28.738 -0.010 0.000 0.967 141 Q HN 0.233 nan 8.270 nan 0.000 0.486 142 D N 0.469 120.858 120.400 -0.019 0.000 2.369 142 D HA 0.178 4.737 4.640 -0.134 0.000 0.211 142 D C 1.810 178.086 176.300 -0.040 0.000 1.077 142 D CA -0.073 53.907 54.000 -0.033 0.000 0.842 142 D CB 0.223 41.003 40.800 -0.033 0.000 0.947 142 D HN 0.190 nan 8.370 nan 0.000 0.509 143 L N 0.623 121.831 121.223 -0.025 0.000 2.042 143 L HA -0.083 4.176 4.340 -0.134 0.000 0.210 143 L C 2.485 179.337 176.870 -0.029 0.000 1.076 143 L CA 1.593 56.419 54.840 -0.023 0.000 0.749 143 L CB -0.517 41.539 42.059 -0.005 0.000 0.893 143 L HN 0.104 nan 8.230 nan 0.000 0.432 144 G N -0.052 108.733 108.800 -0.024 0.000 2.404 144 G HA2 -0.270 3.609 3.960 -0.134 0.000 0.215 144 G HA3 -0.270 3.609 3.960 -0.134 0.000 0.215 144 G C 1.541 176.413 174.900 -0.046 0.000 1.174 144 G CA 0.704 45.789 45.100 -0.025 0.000 0.780 144 G HN 0.250 nan 8.290 nan 0.000 0.537 145 I N 1.478 122.011 120.570 -0.060 0.000 2.394 145 I HA 0.082 4.171 4.170 -0.134 0.000 0.251 145 I C 2.945 178.974 176.117 -0.146 0.000 1.136 145 I CA 1.156 62.404 61.300 -0.087 0.000 1.425 145 I CB -0.187 37.763 38.000 -0.082 0.000 1.079 145 I HN 0.181 nan 8.210 nan 0.000 0.425 146 A N 0.085 122.815 122.820 -0.150 0.000 1.877 146 A HA -0.211 4.028 4.320 -0.134 0.000 0.216 146 A C 2.236 179.716 177.584 -0.173 0.000 1.186 146 A CA 1.978 53.880 52.037 -0.224 0.000 0.620 146 A CB -1.116 17.801 19.000 -0.139 0.000 0.822 146 A HN 0.472 nan 8.150 nan 0.000 0.443 147 L N -0.274 120.899 121.223 -0.082 0.000 2.046 147 L HA -0.035 4.225 4.340 -0.134 0.000 0.208 147 L C 2.666 179.516 176.870 -0.033 0.000 1.077 147 L CA 2.104 56.924 54.840 -0.033 0.000 0.747 147 L CB -0.783 41.271 42.059 -0.009 0.000 0.896 147 L HN 0.349 nan 8.230 nan 0.000 0.432 148 A N -0.281 122.506 122.820 -0.054 0.000 1.883 148 A HA -0.239 4.001 4.320 -0.134 0.000 0.217 148 A C 2.415 179.967 177.584 -0.054 0.000 1.186 148 A CA 1.892 53.903 52.037 -0.043 0.000 0.624 148 A CB -0.580 18.391 19.000 -0.048 0.000 0.822 148 A HN 0.503 nan 8.150 nan 0.000 0.444 149 R N -0.693 119.725 120.500 -0.138 0.000 2.083 149 R HA -0.139 4.121 4.340 -0.134 0.000 0.237 149 R C 2.532 178.838 176.300 0.010 0.000 1.137 149 R CA 1.370 57.365 56.100 -0.175 0.000 0.951 149 R CB -0.615 29.313 30.300 -0.620 0.000 0.851 149 R HN 0.533 nan 8.270 nan 0.000 0.434 150 A N 1.341 124.185 122.820 0.039 0.000 1.902 150 A HA -0.146 4.093 4.320 -0.134 0.000 0.217 150 A C 2.212 179.882 177.584 0.143 0.000 1.181 150 A CA 1.241 53.404 52.037 0.210 0.000 0.623 150 A CB -0.500 18.607 19.000 0.178 0.000 0.818 150 A HN 0.181 nan 8.150 nan 0.000 0.443 151 I N -0.952 119.668 120.570 0.084 0.000 2.142 151 I HA -0.289 3.801 4.170 -0.134 0.000 0.240 151 I C 2.831 178.995 176.117 0.079 0.000 1.078 151 I CA 1.565 62.910 61.300 0.075 0.000 1.343 151 I CB -0.391 37.639 38.000 0.050 0.000 1.046 151 I HN 0.284 nan 8.210 nan 0.000 0.405 152 R N 0.248 120.788 120.500 0.065 0.000 2.083 152 R HA -0.135 4.124 4.340 -0.134 0.000 0.237 152 R C 2.320 178.671 176.300 0.086 0.000 1.137 152 R CA 1.468 57.607 56.100 0.065 0.000 0.951 152 R CB -0.570 29.757 30.300 0.045 0.000 0.851 152 R HN 0.235 nan 8.270 nan 0.000 0.434 153 V N 1.217 121.203 119.914 0.121 0.000 2.287 153 V HA -0.285 3.755 4.120 -0.134 0.000 0.248 153 V C 2.559 178.712 176.094 0.099 0.000 1.053 153 V CA 2.224 64.603 62.300 0.131 0.000 1.027 153 V CB -0.673 31.277 31.823 0.212 0.000 0.646 153 V HN 0.497 nan 8.190 nan 0.000 0.447 154 S N 1.013 116.778 115.700 0.108 0.000 2.399 154 S HA -0.147 4.242 4.470 -0.134 0.000 0.231 154 S C 1.814 176.462 174.600 0.079 0.000 1.022 154 S CA 1.764 60.019 58.200 0.091 0.000 0.983 154 S CB -0.502 62.762 63.200 0.107 0.000 0.803 154 S HN 0.686 nan 8.310 nan 0.000 0.480 155 V N -0.210 119.759 119.914 0.091 0.000 3.644 155 V HA 0.334 4.373 4.120 -0.134 0.000 0.267 155 V C 0.932 177.083 176.094 0.095 0.000 1.277 155 V CA 0.082 62.449 62.300 0.110 0.000 1.096 155 V CB -0.688 31.215 31.823 0.132 0.000 0.828 155 V HN 0.613 nan 8.190 nan 0.000 0.446 156 S N 0.362 116.104 115.700 0.071 0.000 2.669 156 S HA 0.708 5.097 4.470 -0.134 0.000 0.270 156 S C 0.975 175.599 174.600 0.040 0.000 1.225 156 S CA 0.393 58.628 58.200 0.058 0.000 0.991 156 S CB 0.832 64.063 63.200 0.052 0.000 0.987 156 S HN 1.897 nan 8.310 nan 0.000 0.552 157 G N 1.512 110.332 108.800 0.033 0.000 2.582 157 G HA2 -0.337 3.543 3.960 -0.134 0.000 0.288 157 G HA3 -0.337 3.543 3.960 -0.134 0.000 0.288 157 G C -0.121 174.780 174.900 0.002 0.000 1.247 157 G CA 0.424 45.532 45.100 0.015 0.000 0.972 157 G HN 1.132 nan 8.290 nan 0.000 0.557 158 R N 1.683 122.169 120.500 -0.023 0.000 2.248 158 R HA 0.477 4.737 4.340 -0.134 0.000 0.328 158 R C -2.152 174.103 176.300 -0.075 0.000 1.067 158 R CA -1.117 54.949 56.100 -0.058 0.000 0.924 158 R CB 0.531 30.789 30.300 -0.070 0.000 1.013 158 R HN 0.316 nan 8.270 nan 0.000 0.454 159 P HA 0.179 nan 4.420 nan 0.000 0.269 159 P C -0.479 176.771 177.300 -0.083 0.000 1.217 159 P CA -0.057 62.982 63.100 -0.102 0.000 0.783 159 P CB 1.076 32.635 31.700 -0.236 0.000 0.898 160 G N -0.622 108.163 108.800 -0.024 0.000 2.490 160 G HA2 0.532 4.411 3.960 -0.134 0.000 0.308 160 G HA3 0.532 4.411 3.960 -0.134 0.000 0.308 160 G C -1.001 173.917 174.900 0.031 0.000 1.286 160 G CA -0.285 44.801 45.100 -0.023 0.000 0.825 160 G HN 0.593 nan 8.290 nan 0.000 0.479 161 G N -1.226 107.592 108.800 0.029 0.000 2.415 161 G HA2 0.570 4.449 3.960 -0.134 0.000 0.269 161 G HA3 0.570 4.449 3.960 -0.134 0.000 0.269 161 G C -0.759 174.188 174.900 0.078 0.000 1.209 161 G CA -0.146 44.995 45.100 0.068 0.000 0.835 161 G HN 0.939 nan 8.290 nan 0.000 0.534 162 V N 2.091 122.072 119.914 0.113 0.000 2.735 162 V HA 0.342 4.381 4.120 -0.134 0.000 0.310 162 V C -1.115 175.097 176.094 0.197 0.000 1.061 162 V CA -0.908 61.465 62.300 0.121 0.000 0.913 162 V CB 1.805 33.712 31.823 0.140 0.000 1.005 162 V HN 0.708 nan 8.190 nan 0.000 0.428 163 Y N 5.277 125.610 120.300 0.056 0.000 2.328 163 Y HA 0.728 5.197 4.550 -0.135 0.000 0.337 163 Y C -0.853 175.131 175.900 0.140 0.000 1.008 163 Y CA -1.288 56.880 58.100 0.114 0.000 1.129 163 Y CB 1.567 40.118 38.460 0.152 0.000 1.185 163 Y HN 0.542 nan 8.280 nan 0.000 0.476 164 L N 7.463 128.403 121.223 -0.472 0.000 2.342 164 L HA 0.404 4.663 4.340 -0.134 0.000 0.276 164 L C -1.180 175.302 176.870 -0.648 0.000 0.997 164 L CA -0.323 54.287 54.840 -0.382 0.000 0.838 164 L CB 1.031 43.049 42.059 -0.069 0.000 1.224 164 L HN 0.709 nan 8.230 nan 0.000 0.416 165 D N 5.696 125.710 120.400 -0.643 0.000 2.274 165 D HA 0.282 4.842 4.640 -0.134 0.000 0.239 165 D C -1.064 175.161 176.300 -0.126 0.000 1.104 165 D CA -0.234 53.525 54.000 -0.402 0.000 0.840 165 D CB 1.118 41.785 40.800 -0.223 0.000 1.100 165 D HN 0.558 nan 8.370 nan 0.000 0.477 166 L N 5.987 127.181 121.223 -0.049 0.000 2.313 166 L HA 0.327 4.587 4.340 -0.134 0.000 0.273 166 L C -2.240 174.639 176.870 0.015 0.000 1.028 166 L CA -1.872 52.962 54.840 -0.009 0.000 0.871 166 L CB 1.603 43.665 42.059 0.005 0.000 1.242 166 L HN 0.129 nan 8.230 nan 0.000 0.434 167 P HA -0.008 nan 4.420 nan 0.000 0.267 167 P C 0.644 177.956 177.300 0.021 0.000 1.200 167 P CA 0.100 63.212 63.100 0.020 0.000 0.772 167 P CB 1.087 32.795 31.700 0.014 0.000 0.855 168 A N 3.509 126.344 122.820 0.025 0.000 1.948 168 A HA -0.281 3.958 4.320 -0.134 0.000 0.220 168 A C 1.898 179.486 177.584 0.007 0.000 1.177 168 A CA 2.009 54.056 52.037 0.017 0.000 0.636 168 A CB -1.262 17.744 19.000 0.009 0.000 0.815 168 A HN 0.514 nan 8.150 nan 0.000 0.449 169 N N -0.343 118.360 118.700 0.006 0.000 2.223 169 N HA -0.106 4.554 4.740 -0.134 0.000 0.185 169 N C 1.588 177.100 175.510 0.004 0.000 1.016 169 N CA 1.309 54.360 53.050 0.002 0.000 0.863 169 N CB -0.588 37.901 38.487 0.002 0.000 0.983 169 N HN 0.281 nan 8.380 nan 0.000 0.429 170 V N 0.939 120.857 119.914 0.006 0.000 2.548 170 V HA -0.059 3.980 4.120 -0.134 0.000 0.249 170 V C 1.993 178.093 176.094 0.009 0.000 1.055 170 V CA 0.944 63.248 62.300 0.006 0.000 1.065 170 V CB -0.192 31.634 31.823 0.005 0.000 0.681 170 V HN 0.214 nan 8.190 nan 0.000 0.462 171 L N -0.024 121.206 121.223 0.011 0.000 2.093 171 L HA -0.073 4.186 4.340 -0.134 0.000 0.208 171 L C 2.592 179.472 176.870 0.017 0.000 1.085 171 L CA 1.607 56.456 54.840 0.015 0.000 0.755 171 L CB -0.665 41.402 42.059 0.013 0.000 0.904 171 L HN 0.403 nan 8.230 nan 0.000 0.435 172 A N -0.112 122.713 122.820 0.009 0.000 2.072 172 A HA 0.292 4.531 4.320 -0.134 0.000 0.216 172 A C 1.377 178.962 177.584 0.001 0.000 1.156 172 A CA 0.481 52.521 52.037 0.004 0.000 0.701 172 A CB -0.361 18.637 19.000 -0.004 0.000 0.816 172 A HN 0.269 nan 8.150 nan 0.000 0.458 173 A N 0.974 123.795 122.820 0.002 0.000 2.511 173 A HA 0.465 4.704 4.320 -0.134 0.000 0.242 173 A C 0.778 178.359 177.584 -0.005 0.000 1.069 173 A CA 0.636 52.672 52.037 -0.003 0.000 0.763 173 A CB -0.391 18.608 19.000 -0.001 0.000 1.001 173 A HN 0.726 nan 8.150 nan 0.000 0.498 174 T N 0.536 115.082 114.554 -0.012 0.000 2.925 174 T HA 0.740 5.009 4.350 -0.134 0.000 0.285 174 T C -0.202 174.487 174.700 -0.018 0.000 1.021 174 T CA -0.444 61.644 62.100 -0.020 0.000 1.042 174 T CB 1.175 70.026 68.868 -0.029 0.000 1.037 174 T HN 1.133 nan 8.240 nan 0.000 0.481 175 M N -0.484 119.103 119.600 -0.022 0.000 2.644 175 M HA 0.616 5.016 4.480 -0.134 0.000 0.273 175 M C -0.868 175.417 176.300 -0.025 0.000 1.253 175 M CA -1.105 54.184 55.300 -0.019 0.000 0.852 175 M CB 1.933 34.526 32.600 -0.012 0.000 1.708 175 M HN 0.530 nan 8.290 nan 0.000 0.471 176 E N 2.134 122.321 120.200 -0.021 0.000 2.414 176 E HA 0.022 4.291 4.350 -0.134 0.000 0.263 176 E C 0.010 176.598 176.600 -0.021 0.000 1.000 176 E CA 0.379 56.766 56.400 -0.022 0.000 0.914 176 E CB 1.363 31.053 29.700 -0.017 0.000 0.948 176 E HN 0.827 nan 8.360 nan 0.000 0.444 177 K N 3.855 124.240 120.400 -0.026 0.000 2.026 177 K HA -0.184 4.056 4.320 -0.134 0.000 0.208 177 K C 1.012 177.606 176.600 -0.010 0.000 1.048 177 K CA 1.714 57.987 56.287 -0.022 0.000 0.929 177 K CB 0.125 32.607 32.500 -0.031 0.000 0.713 177 K HN 0.413 nan 8.250 nan 0.000 0.439 178 D N 0.641 121.035 120.400 -0.010 0.000 2.097 178 D HA -0.196 4.363 4.640 -0.134 0.000 0.195 178 D C 1.794 178.092 176.300 -0.004 0.000 0.989 178 D CA 1.160 55.157 54.000 -0.006 0.000 0.827 178 D CB -0.147 40.649 40.800 -0.006 0.000 0.966 178 D HN 0.426 nan 8.370 nan 0.000 0.456 179 E N 0.479 120.675 120.200 -0.007 0.000 2.077 179 E HA -0.168 4.101 4.350 -0.134 0.000 0.193 179 E C 1.996 178.594 176.600 -0.004 0.000 0.989 179 E CA 1.000 57.397 56.400 -0.006 0.000 0.800 179 E CB 0.008 29.703 29.700 -0.008 0.000 0.746 179 E HN 0.157 nan 8.360 nan 0.000 0.452 180 A N 1.178 123.996 122.820 -0.004 0.000 1.908 180 A HA -0.185 4.054 4.320 -0.134 0.000 0.218 180 A C 2.208 179.795 177.584 0.006 0.000 1.181 180 A CA 1.314 53.352 52.037 0.001 0.000 0.627 180 A CB -0.756 18.246 19.000 0.003 0.000 0.818 180 A HN 0.330 nan 8.150 nan 0.000 0.445 181 L N 0.038 121.265 121.223 0.006 0.000 2.191 181 L HA -0.162 4.097 4.340 -0.134 0.000 0.212 181 L C 2.856 179.729 176.870 0.005 0.000 1.103 181 L CA 1.683 56.529 54.840 0.009 0.000 0.769 181 L CB -0.714 41.351 42.059 0.010 0.000 0.908 181 L HN 0.685 nan 8.230 nan 0.000 0.438 182 T N -4.859 109.695 114.554 0.001 0.000 3.035 182 T HA -0.114 4.156 4.350 -0.134 0.000 0.268 182 T C 1.632 176.330 174.700 -0.004 0.000 1.109 182 T CA 1.189 63.288 62.100 -0.002 0.000 1.119 182 T CB -0.494 68.372 68.868 -0.003 0.000 0.900 182 T HN 0.443 nan 8.240 nan 0.000 0.503 183 T N -0.736 113.816 114.554 -0.003 0.000 3.086 183 T HA 0.399 4.669 4.350 -0.134 0.000 0.250 183 T C 0.580 175.276 174.700 -0.007 0.000 1.074 183 T CA -0.549 61.546 62.100 -0.007 0.000 0.988 183 T CB -0.623 68.240 68.868 -0.008 0.000 0.988 183 T HN 0.448 nan 8.240 nan 0.000 0.530 184 I N 2.135 122.704 120.570 -0.002 0.000 2.474 184 I HA 0.354 4.443 4.170 -0.134 0.000 0.287 184 I C -0.553 175.562 176.117 -0.004 0.000 1.048 184 I CA -0.878 60.422 61.300 -0.000 0.000 1.383 184 I CB 1.533 39.539 38.000 0.009 0.000 1.412 184 I HN -0.041 nan 8.210 nan 0.000 0.531 185 V N 6.600 126.510 119.914 -0.008 0.000 2.407 185 V HA 0.263 4.302 4.120 -0.134 0.000 0.291 185 V C -0.037 176.054 176.094 -0.005 0.000 1.018 185 V CA -0.864 61.431 62.300 -0.010 0.000 0.842 185 V CB 1.502 33.313 31.823 -0.020 0.000 0.996 185 V HN 0.617 nan 8.190 nan 0.000 0.426 186 K N 4.179 124.577 120.400 -0.002 0.000 2.248 186 K HA 0.550 4.789 4.320 -0.134 0.000 0.281 186 K C -0.849 175.751 176.600 0.000 0.000 1.054 186 K CA -0.415 55.872 56.287 0.001 0.000 0.903 186 K CB 1.335 33.836 32.500 0.002 0.000 1.077 186 K HN 0.504 nan 8.250 nan 0.000 0.474 187 V N 5.347 125.263 119.914 0.003 0.000 2.408 187 V HA 0.123 4.162 4.120 -0.134 0.000 0.267 187 V C -0.054 176.044 176.094 0.007 0.000 1.047 187 V CA -0.477 61.826 62.300 0.005 0.000 0.937 187 V CB 1.013 32.841 31.823 0.008 0.000 0.999 187 V HN 0.763 nan 8.190 nan 0.000 0.472 188 E N 4.198 124.401 120.200 0.005 0.000 2.197 188 E HA 0.226 4.495 4.350 -0.134 0.000 0.281 188 E C 0.260 176.865 176.600 0.007 0.000 0.995 188 E CA -0.602 55.801 56.400 0.005 0.000 0.808 188 E CB 0.796 30.498 29.700 0.002 0.000 1.093 188 E HN 0.641 nan 8.360 nan 0.000 0.394 189 N N 2.853 121.558 118.700 0.008 0.000 2.642 189 N HA -0.146 4.513 4.740 -0.134 0.000 0.269 189 N C -1.768 173.752 175.510 0.017 0.000 1.073 189 N CA 0.217 53.273 53.050 0.010 0.000 0.748 189 N CB -0.324 38.167 38.487 0.007 0.000 0.894 189 N HN 0.332 nan 8.380 nan 0.000 0.548 190 P HA -0.035 nan 4.420 nan 0.000 0.226 190 P C -0.414 176.910 177.300 0.041 0.000 1.153 190 P CA 0.881 64.000 63.100 0.032 0.000 0.777 190 P CB 0.032 31.756 31.700 0.039 0.000 0.794 191 S N 0.650 116.375 115.700 0.042 0.000 2.406 191 S HA 0.463 4.852 4.470 -0.134 0.000 0.224 191 S C -2.466 172.154 174.600 0.035 0.000 1.426 191 S CA -1.508 56.721 58.200 0.049 0.000 1.179 191 S CB 0.652 63.897 63.200 0.075 0.000 1.042 191 S HN 0.017 nan 8.310 nan 0.000 0.479 192 P HA 0.345 nan 4.420 nan 0.000 0.274 192 P C -0.018 177.294 177.300 0.019 0.000 1.231 192 P CA -0.292 62.819 63.100 0.019 0.000 0.790 192 P CB 0.561 32.271 31.700 0.016 0.000 0.951 193 A N 2.978 125.805 122.820 0.013 0.000 2.511 193 A HA 0.261 4.501 4.320 -0.134 0.000 0.242 193 A C 0.047 177.638 177.584 0.011 0.000 1.069 193 A CA 0.059 52.102 52.037 0.010 0.000 0.763 193 A CB -0.607 18.396 19.000 0.004 0.000 1.001 193 A HN 0.565 nan 8.150 nan 0.000 0.498 194 L N 3.186 124.415 121.223 0.012 0.000 2.342 194 L HA 0.316 4.576 4.340 -0.134 0.000 0.276 194 L C -1.150 175.723 176.870 0.006 0.000 0.997 194 L CA -0.723 54.123 54.840 0.010 0.000 0.838 194 L CB 1.433 43.500 42.059 0.012 0.000 1.224 194 L HN 0.543 nan 8.230 nan 0.000 0.416 195 L N 5.896 127.121 121.223 0.004 0.000 2.334 195 L HA 0.532 4.791 4.340 -0.134 0.000 0.277 195 L C -1.773 175.098 176.870 0.001 0.000 1.075 195 L CA -1.372 53.469 54.840 0.001 0.000 0.804 195 L CB 0.314 42.375 42.059 0.002 0.000 1.174 195 L HN 0.353 nan 8.230 nan 0.000 0.438 196 P HA 0.040 nan 4.420 nan 0.000 0.274 196 P C -0.444 176.857 177.300 0.003 0.000 1.237 196 P CA -0.679 62.421 63.100 -0.000 0.000 0.793 196 P CB 0.678 32.376 31.700 -0.004 0.000 0.977 197 C N 3.922 123.225 119.300 0.004 0.000 2.419 197 C HA 0.020 4.399 4.460 -0.134 0.000 0.398 197 C C -0.822 174.173 174.990 0.008 0.000 1.498 197 C CA -0.864 58.158 59.018 0.006 0.000 1.494 197 C CB -1.412 26.331 27.740 0.005 0.000 2.485 197 C HN 0.452 nan 8.230 nan 0.000 0.608 198 P HA -0.116 nan 4.420 nan 0.000 0.218 198 P C 1.308 178.618 177.300 0.016 0.000 1.148 198 P CA 1.633 64.741 63.100 0.014 0.000 0.822 198 P CB -0.014 31.694 31.700 0.014 0.000 0.784 199 K N -0.598 119.810 120.400 0.013 0.000 2.097 199 K HA -0.075 4.164 4.320 -0.134 0.000 0.206 199 K C 2.191 178.801 176.600 0.015 0.000 1.049 199 K CA 1.509 57.804 56.287 0.014 0.000 0.933 199 K CB -0.575 31.931 32.500 0.010 0.000 0.717 199 K HN 0.097 nan 8.250 nan 0.000 0.442 200 S N 0.858 116.566 115.700 0.013 0.000 2.370 200 S HA -0.120 4.269 4.470 -0.134 0.000 0.226 200 S C 2.145 176.757 174.600 0.021 0.000 1.033 200 S CA 1.214 59.423 58.200 0.015 0.000 1.011 200 S CB -0.219 62.987 63.200 0.010 0.000 0.852 200 S HN 0.053 nan 8.310 nan 0.000 0.457 201 V N 2.236 122.163 119.914 0.022 0.000 2.307 201 V HA -0.187 3.853 4.120 -0.134 0.000 0.245 201 V C 2.940 179.064 176.094 0.049 0.000 1.045 201 V CA 2.083 64.402 62.300 0.031 0.000 1.024 201 V CB -1.580 30.259 31.823 0.027 0.000 0.651 201 V HN 0.774 nan 8.190 nan 0.000 0.449 202 T N -2.231 112.348 114.554 0.041 0.000 2.720 202 T HA -0.224 4.046 4.350 -0.134 0.000 0.268 202 T C 1.964 176.686 174.700 0.037 0.000 1.037 202 T CA 1.989 64.115 62.100 0.044 0.000 1.144 202 T CB -0.621 68.267 68.868 0.032 0.000 0.864 202 T HN 0.389 nan 8.240 nan 0.000 0.444 203 S N 1.766 117.483 115.700 0.027 0.000 2.382 203 S HA 0.129 4.518 4.470 -0.134 0.000 0.228 203 S C 2.615 177.229 174.600 0.023 0.000 1.027 203 S CA 0.932 59.143 58.200 0.018 0.000 0.991 203 S CB -0.814 62.394 63.200 0.013 0.000 0.823 203 S HN 0.791 nan 8.310 nan 0.000 0.469 204 A N 1.890 124.734 122.820 0.040 0.000 1.873 204 A HA -0.036 4.203 4.320 -0.134 0.000 0.215 204 A C 1.996 179.630 177.584 0.082 0.000 1.186 204 A CA 1.094 53.166 52.037 0.058 0.000 0.616 204 A CB -0.579 18.459 19.000 0.065 0.000 0.823 204 A HN 0.394 nan 8.150 nan 0.000 0.442 205 I N -0.013 120.626 120.570 0.114 0.000 2.226 205 I HA -0.169 3.921 4.170 -0.134 0.000 0.245 205 I C 2.762 178.888 176.117 0.015 0.000 1.100 205 I CA 1.902 63.299 61.300 0.160 0.000 1.374 205 I CB -1.419 36.706 38.000 0.208 0.000 1.057 205 I HN 0.422 nan 8.210 nan 0.000 0.413 206 S N 0.947 116.647 115.700 -0.001 0.000 2.359 206 S HA -0.193 4.197 4.470 -0.134 0.000 0.224 206 S C 2.070 176.602 174.600 -0.113 0.000 1.035 206 S CA 1.328 59.495 58.200 -0.055 0.000 1.018 206 S CB -0.377 62.809 63.200 -0.024 0.000 0.876 206 S HN 0.331 nan 8.310 nan 0.000 0.448 207 L N 1.534 122.709 121.223 -0.081 0.000 2.046 207 L HA 0.078 4.337 4.340 -0.134 0.000 0.208 207 L C 2.192 178.963 176.870 -0.165 0.000 1.077 207 L CA 1.654 56.436 54.840 -0.097 0.000 0.747 207 L CB -0.716 41.314 42.059 -0.048 0.000 0.896 207 L HN 0.397 nan 8.230 nan 0.000 0.432 208 L N -0.680 120.436 121.223 -0.177 0.000 2.046 208 L HA -0.202 4.057 4.340 -0.134 0.000 0.208 208 L C 2.613 179.006 176.870 -0.796 0.000 1.077 208 L CA 1.277 55.941 54.840 -0.294 0.000 0.747 208 L CB -0.839 41.191 42.059 -0.048 0.000 0.896 208 L HN 0.383 nan 8.230 nan 0.000 0.432 209 A N -0.351 121.878 122.820 -0.986 0.000 2.015 209 A HA -0.180 4.060 4.320 -0.134 0.000 0.219 209 A C 2.201 179.499 177.584 -0.478 0.000 1.163 209 A CA 1.401 52.782 52.037 -1.094 0.000 0.646 209 A CB -0.257 18.402 19.000 -0.569 0.000 0.806 209 A HN 0.343 nan 8.150 nan 0.000 0.448 210 K N -0.295 119.915 120.400 -0.317 0.000 2.426 210 K HA 0.283 4.522 4.320 -0.134 0.000 0.193 210 K C 0.651 177.146 176.600 -0.175 0.000 1.028 210 K CA 0.282 56.456 56.287 -0.188 0.000 1.047 210 K CB 0.015 32.433 32.500 -0.137 0.000 0.821 210 K HN 0.425 nan 8.250 nan 0.000 0.513 211 A N 1.786 124.477 122.820 -0.214 0.000 2.440 211 A HA 0.019 4.259 4.320 -0.134 0.000 0.251 211 A C 0.824 178.305 177.584 -0.172 0.000 1.089 211 A CA -0.144 51.781 52.037 -0.187 0.000 0.779 211 A CB 0.371 19.267 19.000 -0.173 0.000 1.022 211 A HN 0.140 nan 8.150 nan 0.000 0.492 212 E N 1.504 121.578 120.200 -0.210 0.000 2.170 212 E HA -0.039 4.231 4.350 -0.134 0.000 0.191 212 E C 0.185 176.549 176.600 -0.394 0.000 0.981 212 E CA 0.810 57.083 56.400 -0.213 0.000 0.830 212 E CB 0.185 29.765 29.700 -0.200 0.000 0.775 212 E HN 0.684 nan 8.360 nan 0.000 0.470 213 R N 0.877 120.978 120.500 -0.665 0.000 2.638 213 R HA 0.218 4.477 4.340 -0.134 0.000 0.261 213 R C -2.584 173.151 176.300 -0.943 0.000 1.515 213 R CA -1.226 53.911 56.100 -1.604 0.000 1.623 213 R CB 1.477 30.619 30.300 -1.931 0.000 1.347 213 R HN 0.039 nan 8.270 nan 0.000 0.705 214 P HA 0.181 nan 4.420 nan 0.000 0.277 214 P C -0.881 176.625 177.300 0.343 0.000 1.240 214 P CA -0.478 62.652 63.100 0.051 0.000 0.798 214 P CB 1.425 33.212 31.700 0.146 0.000 0.979 215 L N 2.891 124.277 121.223 0.271 0.000 2.464 215 L HA 0.509 4.768 4.340 -0.134 0.000 0.266 215 L C -1.079 175.950 176.870 0.266 0.000 0.965 215 L CA -0.758 54.270 54.840 0.313 0.000 0.833 215 L CB 1.654 43.882 42.059 0.281 0.000 1.296 215 L HN 0.239 nan 8.230 nan 0.000 0.405 216 I N 5.270 126.011 120.570 0.286 0.000 2.392 216 I HA 0.443 4.532 4.170 -0.134 0.000 0.295 216 I C -0.532 175.738 176.117 0.254 0.000 0.985 216 I CA -0.392 61.069 61.300 0.268 0.000 1.221 216 I CB 1.521 39.691 38.000 0.282 0.000 1.366 216 I HN 0.478 nan 8.210 nan 0.000 0.467 217 I N 7.043 127.745 120.570 0.220 0.000 2.389 217 I HA 0.330 4.419 4.170 -0.134 0.000 0.288 217 I C -0.644 175.566 176.117 0.156 0.000 0.999 217 I CA -0.561 60.857 61.300 0.196 0.000 1.129 217 I CB 1.347 39.471 38.000 0.206 0.000 1.288 217 I HN 0.278 nan 8.210 nan 0.000 0.444 218 L N 6.230 127.546 121.223 0.154 0.000 2.264 218 L HA 0.585 4.845 4.340 -0.134 0.000 0.289 218 L C 0.710 177.634 176.870 0.090 0.000 1.044 218 L CA -0.284 54.617 54.840 0.102 0.000 0.807 218 L CB 1.130 43.237 42.059 0.080 0.000 1.192 218 L HN 0.672 nan 8.230 nan 0.000 0.425 219 G N 1.761 110.606 108.800 0.074 0.000 2.705 219 G HA2 0.300 4.179 3.960 -0.134 0.000 0.299 219 G HA3 0.300 4.179 3.960 -0.134 0.000 0.299 219 G C 0.588 175.547 174.900 0.099 0.000 1.315 219 G CA -0.508 44.630 45.100 0.063 0.000 1.045 219 G HN 0.773 nan 8.290 nan 0.000 0.517 220 K N -1.412 119.049 120.400 0.102 0.000 2.283 220 K HA 0.067 4.306 4.320 -0.134 0.000 0.202 220 K C 2.008 178.780 176.600 0.288 0.000 1.048 220 K CA 1.481 57.895 56.287 0.211 0.000 0.948 220 K CB -0.275 32.325 32.500 0.167 0.000 0.742 220 K HN 0.439 nan 8.250 nan 0.000 0.458 221 G N 1.225 110.129 108.800 0.174 0.000 2.422 221 G HA2 -0.254 3.625 3.960 -0.134 0.000 0.218 221 G HA3 -0.254 3.625 3.960 -0.134 0.000 0.218 221 G C 1.693 176.701 174.900 0.181 0.000 1.146 221 G CA 0.788 45.994 45.100 0.178 0.000 0.769 221 G HN 0.456 nan 8.290 nan 0.000 0.547 222 A N 1.247 124.141 122.820 0.122 0.000 1.877 222 A HA 0.234 4.473 4.320 -0.134 0.000 0.216 222 A C 2.835 180.465 177.584 0.076 0.000 1.186 222 A CA 2.356 54.438 52.037 0.074 0.000 0.620 222 A CB -0.854 18.170 19.000 0.041 0.000 0.822 222 A HN 0.790 nan 8.150 nan 0.000 0.443 223 A N -1.582 121.320 122.820 0.137 0.000 1.902 223 A HA -0.132 4.107 4.320 -0.134 0.000 0.217 223 A C 2.163 179.753 177.584 0.011 0.000 1.181 223 A CA 1.693 53.795 52.037 0.109 0.000 0.623 223 A CB -0.872 18.292 19.000 0.274 0.000 0.818 223 A HN 0.751 nan 8.150 nan 0.000 0.443 224 Y N 1.896 122.215 120.300 0.033 0.000 2.274 224 Y HA -0.227 4.243 4.550 -0.134 0.000 0.290 224 Y C 2.791 178.636 175.900 -0.092 0.000 1.145 224 Y CA 1.819 59.868 58.100 -0.086 0.000 1.203 224 Y CB -0.318 38.227 38.460 0.143 0.000 0.984 224 Y HN 0.434 nan 8.280 nan 0.000 0.533 225 S N -0.261 115.421 115.700 -0.029 0.000 2.442 225 S HA -0.242 4.147 4.470 -0.134 0.000 0.236 225 S C 1.034 175.526 174.600 -0.181 0.000 1.007 225 S CA 1.030 59.178 58.200 -0.087 0.000 0.965 225 S CB -0.542 62.662 63.200 0.008 0.000 0.773 225 S HN 0.693 nan 8.310 nan 0.000 0.504 226 Q N -0.591 119.091 119.800 -0.196 0.000 2.481 226 Q HA -0.209 4.050 4.340 -0.134 0.000 0.272 226 Q C 0.444 176.375 176.000 -0.115 0.000 1.157 226 Q CA 0.537 56.235 55.803 -0.175 0.000 0.935 226 Q CB -2.288 26.322 28.738 -0.213 0.000 1.338 226 Q HN 0.836 nan 8.270 nan 0.000 0.494 227 A N 0.179 122.945 122.820 -0.090 0.000 2.929 227 A HA 0.099 4.339 4.320 -0.134 0.000 0.279 227 A C 0.955 178.497 177.584 -0.070 0.000 1.418 227 A CA -0.075 51.919 52.037 -0.071 0.000 1.035 227 A CB 0.155 19.118 19.000 -0.062 0.000 1.047 227 A HN 0.265 nan 8.150 nan 0.000 0.609 228 D N 0.656 121.011 120.400 -0.075 0.000 2.092 228 D HA -0.169 4.390 4.640 -0.134 0.000 0.193 228 D C 1.451 177.712 176.300 -0.065 0.000 0.994 228 D CA 1.348 55.303 54.000 -0.076 0.000 0.828 228 D CB 0.058 40.814 40.800 -0.072 0.000 0.963 228 D HN 0.431 nan 8.370 nan 0.000 0.450 229 E N 0.657 120.828 120.200 -0.048 0.000 2.106 229 E HA -0.137 4.132 4.350 -0.134 0.000 0.192 229 E C 2.227 178.814 176.600 -0.022 0.000 0.984 229 E CA 0.777 57.157 56.400 -0.032 0.000 0.806 229 E CB -0.243 29.443 29.700 -0.023 0.000 0.750 229 E HN 0.327 nan 8.360 nan 0.000 0.458 230 Q N 0.532 120.319 119.800 -0.022 0.000 2.050 230 Q HA -0.039 4.220 4.340 -0.134 0.000 0.202 230 Q C 2.433 178.439 176.000 0.010 0.000 0.980 230 Q CA 0.862 56.663 55.803 -0.003 0.000 0.840 230 Q CB -0.395 28.330 28.738 -0.020 0.000 0.898 230 Q HN 0.233 nan 8.270 nan 0.000 0.424 231 L N 0.055 121.257 121.223 -0.036 0.000 2.042 231 L HA -0.214 4.045 4.340 -0.134 0.000 0.210 231 L C 2.617 179.457 176.870 -0.050 0.000 1.076 231 L CA 1.522 56.332 54.840 -0.050 0.000 0.749 231 L CB -0.397 41.596 42.059 -0.110 0.000 0.893 231 L HN 0.209 nan 8.230 nan 0.000 0.432 232 R N 0.272 120.720 120.500 -0.085 0.000 2.081 232 R HA -0.219 4.040 4.340 -0.134 0.000 0.235 232 R C 2.234 178.515 176.300 -0.031 0.000 1.131 232 R CA 1.820 57.856 56.100 -0.107 0.000 0.960 232 R CB -0.168 30.081 30.300 -0.084 0.000 0.856 232 R HN 0.371 nan 8.270 nan 0.000 0.436 233 E N -0.548 119.658 120.200 0.010 0.000 2.077 233 E HA -0.230 4.040 4.350 -0.134 0.000 0.193 233 E C 1.732 178.358 176.600 0.043 0.000 0.989 233 E CA 1.335 57.750 56.400 0.025 0.000 0.800 233 E CB -0.192 29.528 29.700 0.035 0.000 0.746 233 E HN 0.344 nan 8.360 nan 0.000 0.452 234 F N 1.127 121.041 119.950 -0.060 0.000 2.075 234 F HA -0.176 4.268 4.527 -0.137 0.000 0.297 234 F C 2.046 177.809 175.800 -0.061 0.000 1.113 234 F CA 1.572 59.540 58.000 -0.054 0.000 1.218 234 F CB -0.205 38.774 39.000 -0.034 0.000 0.984 234 F HN 0.001 nan 8.300 nan 0.000 0.472 235 I N 0.206 120.833 120.570 0.095 0.000 2.163 235 I HA -0.325 3.764 4.170 -0.134 0.000 0.243 235 I C 2.280 178.367 176.117 -0.050 0.000 1.085 235 I CA 1.932 63.234 61.300 0.004 0.000 1.347 235 I CB -0.530 37.426 38.000 -0.072 0.000 1.044 235 I HN 0.235 nan 8.210 nan 0.000 0.408 236 E N -0.219 119.960 120.200 -0.036 0.000 2.152 236 E HA -0.176 4.093 4.350 -0.134 0.000 0.192 236 E C 2.255 178.813 176.600 -0.071 0.000 0.983 236 E CA 1.182 57.585 56.400 0.005 0.000 0.818 236 E CB -0.048 29.684 29.700 0.052 0.000 0.758 236 E HN 0.325 nan 8.360 nan 0.000 0.467 237 S N 0.471 116.086 115.700 -0.141 0.000 2.356 237 S HA -0.140 4.249 4.470 -0.134 0.000 0.223 237 S C 1.896 176.312 174.600 -0.307 0.000 1.032 237 S CA 1.384 59.462 58.200 -0.204 0.000 1.005 237 S CB -0.023 63.038 63.200 -0.232 0.000 0.867 237 S HN 0.300 nan 8.310 nan 0.000 0.449 238 A N -0.245 122.298 122.820 -0.461 0.000 2.308 238 A HA 0.353 4.593 4.320 -0.134 0.000 0.217 238 A C 0.404 177.811 177.584 -0.295 0.000 1.216 238 A CA 0.107 51.771 52.037 -0.621 0.000 0.864 238 A CB -0.057 18.242 19.000 -1.168 0.000 0.902 238 A HN 0.484 nan 8.150 nan 0.000 0.499 239 Q N -0.613 119.101 119.800 -0.144 0.000 2.452 239 Q HA -0.181 4.079 4.340 -0.134 0.000 0.318 239 Q C -0.651 175.392 176.000 0.072 0.000 1.386 239 Q CA 0.905 56.706 55.803 -0.002 0.000 0.872 239 Q CB -1.925 26.820 28.738 0.012 0.000 1.151 239 Q HN 0.753 nan 8.270 nan 0.000 0.417 240 I N 1.402 122.024 120.570 0.087 0.000 2.312 240 I HA 0.198 4.287 4.170 -0.134 0.000 0.291 240 I C -1.801 174.465 176.117 0.249 0.000 1.031 240 I CA -2.030 59.389 61.300 0.199 0.000 1.293 240 I CB 0.979 39.112 38.000 0.221 0.000 1.403 240 I HN -0.125 nan 8.210 nan 0.000 0.484 241 P HA 0.030 nan 4.420 nan 0.000 0.266 241 P C -0.948 176.490 177.300 0.231 0.000 1.195 241 P CA 0.240 63.419 63.100 0.131 0.000 0.768 241 P CB 0.272 31.951 31.700 -0.034 0.000 0.838 242 F N 0.824 120.800 119.950 0.044 0.000 2.588 242 F HA 0.694 5.135 4.527 -0.142 0.000 0.314 242 F C -1.745 174.069 175.800 0.023 0.000 1.069 242 F CA -1.422 56.607 58.000 0.048 0.000 0.931 242 F CB 1.187 40.202 39.000 0.026 0.000 1.260 242 F HN -0.014 nan 8.300 nan 0.000 0.465 243 L N 4.146 125.444 121.223 0.125 0.000 2.319 243 L HA 0.491 4.750 4.340 -0.134 0.000 0.281 243 L C -2.495 174.484 176.870 0.180 0.000 1.005 243 L CA -2.042 52.812 54.840 0.023 0.000 0.828 243 L CB 2.353 44.422 42.059 0.017 0.000 1.227 243 L HN 0.447 nan 8.230 nan 0.000 0.415 244 P HA 0.219 nan 4.420 nan 0.000 0.287 244 P C -0.492 176.854 177.300 0.078 0.000 1.294 244 P CA -0.398 62.814 63.100 0.187 0.000 0.776 244 P CB 0.995 32.828 31.700 0.223 0.000 0.889 245 M N 1.556 121.195 119.600 0.064 0.000 2.157 245 M HA 0.033 4.432 4.480 -0.134 0.000 0.304 245 M C 2.155 178.464 176.300 0.016 0.000 1.171 245 M CA -0.002 55.308 55.300 0.016 0.000 1.157 245 M CB 0.040 32.640 32.600 0.000 0.000 1.403 245 M HN 0.372 nan 8.290 nan 0.000 0.473 246 S N 0.995 116.686 115.700 -0.015 0.000 2.389 246 S HA -0.203 4.186 4.470 -0.134 0.000 0.229 246 S C 1.451 176.061 174.600 0.017 0.000 1.048 246 S CA 1.986 60.180 58.200 -0.010 0.000 1.117 246 S CB -0.122 63.061 63.200 -0.029 0.000 1.020 246 S HN 0.682 nan 8.310 nan 0.000 0.430 247 M N 0.413 120.027 119.600 0.024 0.000 2.561 247 M HA 0.211 4.611 4.480 -0.134 0.000 0.238 247 M C 1.651 178.043 176.300 0.153 0.000 1.131 247 M CA 0.465 55.801 55.300 0.060 0.000 1.046 247 M CB 0.044 32.612 32.600 -0.052 0.000 1.532 247 M HN 0.478 nan 8.290 nan 0.000 0.497 248 A N 0.140 123.028 122.820 0.112 0.000 2.238 248 A HA 0.121 4.360 4.320 -0.134 0.000 0.210 248 A C 0.638 178.272 177.584 0.084 0.000 1.179 248 A CA -0.051 52.052 52.037 0.110 0.000 0.827 248 A CB -0.031 19.028 19.000 0.098 0.000 0.856 248 A HN 0.282 nan 8.150 nan 0.000 0.488 249 K N -0.378 120.065 120.400 0.071 0.000 2.489 249 K HA 0.309 4.548 4.320 -0.134 0.000 0.278 249 K C 1.211 177.829 176.600 0.030 0.000 1.000 249 K CA 0.895 57.213 56.287 0.052 0.000 1.012 249 K CB 0.115 32.627 32.500 0.020 0.000 0.903 249 K HN 0.571 nan 8.250 nan 0.000 0.485 250 G N 2.270 111.079 108.800 0.015 0.000 2.217 250 G HA2 -0.292 3.588 3.960 -0.134 0.000 0.246 250 G HA3 -0.292 3.588 3.960 -0.134 0.000 0.246 250 G C 0.925 175.814 174.900 -0.018 0.000 0.990 250 G CA 0.245 45.338 45.100 -0.011 0.000 0.627 250 G HN 0.603 nan 8.290 nan 0.000 0.522 251 I N 0.031 120.584 120.570 -0.029 0.000 2.127 251 I HA -0.040 4.050 4.170 -0.134 0.000 0.241 251 I C 1.238 177.288 176.117 -0.112 0.000 1.075 251 I CA 1.139 62.395 61.300 -0.074 0.000 1.334 251 I CB -0.233 37.711 38.000 -0.095 0.000 1.040 251 I HN 0.137 nan 8.210 nan 0.000 0.405 252 L N 0.878 121.998 121.223 -0.172 0.000 2.334 252 L HA 0.180 4.439 4.340 -0.134 0.000 0.275 252 L C 0.437 177.322 176.870 0.026 0.000 1.036 252 L CA -0.524 54.234 54.840 -0.137 0.000 0.807 252 L CB 0.620 42.420 42.059 -0.431 0.000 1.231 252 L HN 0.135 nan 8.230 nan 0.000 0.438 253 E N 1.128 121.382 120.200 0.090 0.000 2.437 253 E HA -0.086 4.183 4.350 -0.134 0.000 0.263 253 E C -0.490 176.141 176.600 0.052 0.000 1.030 253 E CA -0.108 56.312 56.400 0.033 0.000 0.934 253 E CB 0.623 30.371 29.700 0.080 0.000 0.943 253 E HN 0.505 nan 8.360 nan 0.000 0.444 254 D N 2.065 122.393 120.400 -0.121 0.000 2.310 254 D HA -0.100 4.460 4.640 -0.134 0.000 0.212 254 D C 1.416 177.687 176.300 -0.049 0.000 0.965 254 D CA 1.748 55.709 54.000 -0.064 0.000 0.879 254 D CB -0.120 40.594 40.800 -0.144 0.000 0.921 254 D HN 0.703 nan 8.370 nan 0.000 0.510 255 T N -2.300 112.210 114.554 -0.073 0.000 3.148 255 T HA -0.084 4.186 4.350 -0.134 0.000 0.253 255 T C 0.943 175.680 174.700 0.062 0.000 1.134 255 T CA -0.309 61.788 62.100 -0.005 0.000 1.051 255 T CB -0.214 68.672 68.868 0.031 0.000 0.959 255 T HN 0.154 nan 8.240 nan 0.000 0.525 256 H N 3.343 122.445 119.070 0.053 0.000 2.928 256 H HA 0.074 4.546 4.556 -0.140 0.000 0.338 256 H C -1.407 173.955 175.328 0.057 0.000 1.047 256 H CA -1.274 54.841 56.048 0.111 0.000 1.435 256 H CB 1.483 31.409 29.762 0.274 0.000 1.428 256 H HN 0.049 nan 8.280 nan 0.000 0.590 257 P HA -0.101 nan 4.420 nan 0.000 0.225 257 P C 1.394 178.741 177.300 0.080 0.000 1.148 257 P CA 0.840 63.916 63.100 -0.041 0.000 0.779 257 P CB 0.305 31.936 31.700 -0.116 0.000 0.780 258 L N -1.106 120.346 121.223 0.381 0.000 2.567 258 L HA 0.116 4.376 4.340 -0.134 0.000 0.225 258 L C 1.278 178.019 176.870 -0.215 0.000 1.119 258 L CA -0.043 54.926 54.840 0.215 0.000 0.871 258 L CB -0.231 42.080 42.059 0.421 0.000 1.036 258 L HN -0.084 nan 8.230 nan 0.000 0.459 259 S N 0.598 116.034 115.700 -0.439 0.000 2.516 259 S HA 0.254 4.643 4.470 -0.134 0.000 0.282 259 S C 0.937 175.231 174.600 -0.511 0.000 1.286 259 S CA -0.047 57.558 58.200 -0.991 0.000 1.066 259 S CB 1.172 63.995 63.200 -0.627 0.000 0.884 259 S HN 0.290 nan 8.310 nan 0.000 0.491 260 A N 4.684 127.206 122.820 -0.496 0.000 2.415 260 A HA 0.575 4.814 4.320 -0.134 0.000 0.248 260 A C 1.868 179.326 177.584 -0.209 0.000 1.299 260 A CA 0.418 52.287 52.037 -0.280 0.000 0.899 260 A CB -0.696 18.168 19.000 -0.225 0.000 0.997 260 A HN 1.117 nan 8.150 nan 0.000 0.506 261 A N 0.154 122.837 122.820 -0.228 0.000 1.948 261 A HA 0.059 4.298 4.320 -0.134 0.000 0.220 261 A C 2.159 179.681 177.584 -0.104 0.000 1.177 261 A CA 1.852 53.801 52.037 -0.145 0.000 0.636 261 A CB -0.526 18.397 19.000 -0.128 0.000 0.815 261 A HN 1.170 nan 8.150 nan 0.000 0.449 262 A N -1.660 121.097 122.820 -0.106 0.000 2.238 262 A HA 0.555 4.794 4.320 -0.134 0.000 0.208 262 A C 1.245 178.793 177.584 -0.059 0.000 1.177 262 A CA 0.966 52.957 52.037 -0.078 0.000 0.804 262 A CB -0.400 18.550 19.000 -0.083 0.000 0.823 262 A HN 1.219 nan 8.150 nan 0.000 0.482 263 A N -0.589 122.195 122.820 -0.061 0.000 2.806 263 A HA 0.417 4.656 4.320 -0.134 0.000 0.266 263 A C 1.251 178.832 177.584 -0.005 0.000 0.926 263 A CA -0.059 51.971 52.037 -0.012 0.000 1.068 263 A CB -0.298 18.697 19.000 -0.008 0.000 1.189 263 A HN 0.379 nan 8.150 nan 0.000 0.481 264 R N 0.095 120.570 120.500 -0.042 0.000 2.080 264 R HA -0.130 4.129 4.340 -0.134 0.000 0.236 264 R C 1.712 177.957 176.300 -0.092 0.000 1.137 264 R CA 2.362 58.417 56.100 -0.074 0.000 0.943 264 R CB -0.113 30.141 30.300 -0.076 0.000 0.846 264 R HN 0.469 nan 8.270 nan 0.000 0.431 265 S N 0.318 115.984 115.700 -0.056 0.000 2.356 265 S HA -0.158 4.232 4.470 -0.134 0.000 0.223 265 S C 1.476 176.031 174.600 -0.076 0.000 1.032 265 S CA 1.384 59.539 58.200 -0.075 0.000 1.005 265 S CB -0.442 62.743 63.200 -0.024 0.000 0.867 265 S HN 0.409 nan 8.310 nan 0.000 0.449 266 F N 2.559 122.410 119.950 -0.164 0.000 2.126 266 F HA -0.155 4.291 4.527 -0.135 0.000 0.299 266 F C 2.304 178.027 175.800 -0.128 0.000 1.096 266 F CA 1.134 59.007 58.000 -0.212 0.000 1.255 266 F CB -0.668 38.094 39.000 -0.397 0.000 0.997 266 F HN 0.176 nan 8.300 nan 0.000 0.479 267 A N 0.682 123.470 122.820 -0.054 0.000 1.877 267 A HA -0.140 4.100 4.320 -0.134 0.000 0.216 267 A C 2.293 179.780 177.584 -0.163 0.000 1.186 267 A CA 1.856 53.870 52.037 -0.038 0.000 0.620 267 A CB -1.198 17.788 19.000 -0.024 0.000 0.822 267 A HN 0.492 nan 8.150 nan 0.000 0.443 268 L N -0.951 120.067 121.223 -0.341 0.000 2.093 268 L HA -0.156 4.104 4.340 -0.134 0.000 0.208 268 L C 3.000 179.570 176.870 -0.499 0.000 1.085 268 L CA 0.998 55.440 54.840 -0.662 0.000 0.755 268 L CB -0.540 40.916 42.059 -1.006 0.000 0.904 268 L HN 0.448 nan 8.230 nan 0.000 0.435 269 A N 0.132 122.734 122.820 -0.364 0.000 2.014 269 A HA -0.142 4.097 4.320 -0.134 0.000 0.218 269 A C 1.728 179.154 177.584 -0.264 0.000 1.163 269 A CA 1.820 53.702 52.037 -0.259 0.000 0.652 269 A CB -0.414 18.454 19.000 -0.220 0.000 0.808 269 A HN 0.524 nan 8.150 nan 0.000 0.449 270 N N -1.170 117.318 118.700 -0.354 0.000 2.257 270 N HA 0.346 5.006 4.740 -0.134 0.000 0.200 270 N C 0.420 175.696 175.510 -0.389 0.000 1.163 270 N CA 0.429 53.255 53.050 -0.374 0.000 0.891 270 N CB 0.304 38.433 38.487 -0.596 0.000 1.067 270 N HN 0.362 nan 8.380 nan 0.000 0.497 271 A N 1.289 123.946 122.820 -0.271 0.000 2.531 271 A HA 0.047 4.287 4.320 -0.134 0.000 0.236 271 A C 0.730 178.126 177.584 -0.313 0.000 1.062 271 A CA 0.208 52.040 52.037 -0.342 0.000 0.760 271 A CB 0.192 19.156 19.000 -0.060 0.000 0.995 271 A HN 0.378 nan 8.150 nan 0.000 0.501 272 D N 0.874 121.050 120.400 -0.374 0.000 2.324 272 D HA 0.063 4.623 4.640 -0.134 0.000 0.212 272 D C 0.073 176.234 176.300 -0.231 0.000 0.984 272 D CA 0.534 54.367 54.000 -0.277 0.000 0.885 272 D CB -0.124 40.509 40.800 -0.279 0.000 0.996 272 D HN 0.194 nan 8.370 nan 0.000 0.505 273 V N 1.267 121.058 119.914 -0.205 0.000 2.531 273 V HA 0.437 4.476 4.120 -0.134 0.000 0.301 273 V C -0.615 175.437 176.094 -0.069 0.000 1.034 273 V CA -0.911 61.300 62.300 -0.147 0.000 0.865 273 V CB 2.423 34.183 31.823 -0.104 0.000 0.995 273 V HN -0.039 nan 8.190 nan 0.000 0.424 274 V N 5.892 125.765 119.914 -0.069 0.000 2.444 274 V HA 0.482 4.521 4.120 -0.134 0.000 0.294 274 V C -0.175 176.042 176.094 0.205 0.000 1.022 274 V CA -0.439 61.923 62.300 0.103 0.000 0.850 274 V CB 1.800 33.748 31.823 0.208 0.000 0.992 274 V HN 0.918 nan 8.190 nan 0.000 0.426 275 M N 6.632 126.364 119.600 0.219 0.000 2.055 275 M HA 0.537 4.936 4.480 -0.134 0.000 0.347 275 M C -1.370 175.050 176.300 0.200 0.000 1.123 275 M CA -0.457 54.962 55.300 0.199 0.000 1.035 275 M CB 0.537 33.247 32.600 0.184 0.000 1.484 275 M HN 0.532 nan 8.290 nan 0.000 0.428 276 L N 5.870 127.211 121.223 0.196 0.000 2.313 276 L HA 0.383 4.642 4.340 -0.134 0.000 0.282 276 L C -0.678 176.240 176.870 0.079 0.000 1.092 276 L CA -0.737 54.191 54.840 0.145 0.000 0.831 276 L CB 0.946 43.068 42.059 0.105 0.000 1.159 276 L HN 0.430 nan 8.230 nan 0.000 0.442 277 V N 2.629 122.584 119.914 0.067 0.000 2.304 277 V HA 0.382 4.421 4.120 -0.134 0.000 0.278 277 V C 0.861 176.977 176.094 0.036 0.000 1.018 277 V CA -0.336 61.983 62.300 0.031 0.000 0.814 277 V CB 0.876 32.705 31.823 0.010 0.000 1.021 277 V HN 1.037 nan 8.190 nan 0.000 0.440 278 G N 4.021 112.837 108.800 0.026 0.000 2.323 278 G HA2 0.045 3.924 3.960 -0.134 0.000 0.292 278 G HA3 0.045 3.924 3.960 -0.134 0.000 0.292 278 G C 0.131 175.046 174.900 0.025 0.000 1.040 278 G CA 0.370 45.489 45.100 0.032 0.000 0.942 278 G HN 1.633 nan 8.290 nan 0.000 0.506 279 A N 0.059 122.886 122.820 0.011 0.000 2.385 279 A HA 0.812 5.051 4.320 -0.134 0.000 0.290 279 A C 0.212 177.772 177.584 -0.040 0.000 1.094 279 A CA -0.632 51.404 52.037 -0.002 0.000 0.729 279 A CB 1.079 20.101 19.000 0.036 0.000 1.194 279 A HN 0.472 nan 8.150 nan 0.000 0.442 280 R N 1.516 121.972 120.500 -0.072 0.000 2.459 280 R HA 0.386 4.646 4.340 -0.134 0.000 0.281 280 R C -0.293 175.922 176.300 -0.142 0.000 1.050 280 R CA -0.520 55.516 56.100 -0.105 0.000 1.055 280 R CB 0.993 31.235 30.300 -0.097 0.000 1.045 280 R HN 0.694 nan 8.270 nan 0.000 0.495 281 L N 4.532 125.636 121.223 -0.198 0.000 2.650 281 L HA 0.006 4.265 4.340 -0.134 0.000 0.239 281 L C 0.301 177.040 176.870 -0.218 0.000 1.412 281 L CA -0.387 54.297 54.840 -0.260 0.000 1.219 281 L CB -1.445 40.363 42.059 -0.418 0.000 1.534 281 L HN 0.653 nan 8.230 nan 0.000 0.430 282 N N -0.707 117.854 118.700 -0.233 0.000 2.531 282 N HA 0.029 4.688 4.740 -0.134 0.000 0.301 282 N C 1.086 176.227 175.510 -0.616 0.000 1.310 282 N CA -0.619 52.265 53.050 -0.277 0.000 0.949 282 N CB -0.140 38.310 38.487 -0.060 0.000 1.111 282 N HN 0.278 nan 8.380 nan 0.000 0.565 283 W N -0.724 120.228 121.300 -0.580 0.000 2.392 283 W HA -0.006 4.575 4.660 -0.133 0.000 0.279 283 W C 0.921 177.334 176.519 -0.177 0.000 1.225 283 W CA 0.313 57.407 57.345 -0.418 0.000 1.233 283 W CB -1.194 28.233 29.460 -0.056 0.000 1.122 283 W HN 0.288 nan 8.180 nan 0.000 0.561 284 L N 0.873 121.496 121.223 -0.999 0.000 2.275 284 L HA -0.093 4.166 4.340 -0.134 0.000 0.215 284 L C 2.053 178.716 176.870 -0.346 0.000 1.119 284 L CA 0.968 55.267 54.840 -0.901 0.000 0.790 284 L CB -0.470 41.089 42.059 -0.833 0.000 0.919 284 L HN -0.045 nan 8.230 nan 0.000 0.443 285 L N -0.470 120.631 121.223 -0.203 0.000 2.965 285 L HA 0.323 4.582 4.340 -0.134 0.000 0.254 285 L C 1.156 178.152 176.870 0.210 0.000 1.220 285 L CA -0.158 54.740 54.840 0.096 0.000 1.023 285 L CB 0.163 42.323 42.059 0.168 0.000 1.355 285 L HN 0.207 nan 8.230 nan 0.000 0.545 286 A N 0.018 122.871 122.820 0.056 0.000 2.798 286 A HA -0.294 3.945 4.320 -0.134 0.000 0.282 286 A C 0.837 178.504 177.584 0.138 0.000 1.464 286 A CA 1.202 53.340 52.037 0.167 0.000 0.844 286 A CB -2.157 17.034 19.000 0.318 0.000 1.006 286 A HN 0.787 nan 8.150 nan 0.000 0.577 287 H N -3.445 115.629 119.070 0.006 0.000 2.921 287 H HA -0.229 4.247 4.556 -0.134 0.000 0.281 287 H C 1.782 176.909 175.328 -0.335 0.000 1.165 287 H CA 1.795 57.769 56.048 -0.123 0.000 1.151 287 H CB -1.791 27.940 29.762 -0.050 0.000 1.311 287 H HN 2.408 nan 8.280 nan 0.000 0.361 288 G N -0.299 108.161 108.800 -0.567 0.000 2.168 288 G HA2 -0.381 3.498 3.960 -0.134 0.000 0.257 288 G HA3 -0.381 3.498 3.960 -0.134 0.000 0.257 288 G C 0.913 175.398 174.900 -0.692 0.000 0.997 288 G CA 1.409 45.707 45.100 -1.337 0.000 0.708 288 G HN 0.572 nan 8.290 nan 0.000 0.520 289 K N -0.384 119.909 120.400 -0.178 0.000 3.233 289 K HA 0.248 4.488 4.320 -0.134 0.000 0.241 289 K C 0.920 177.677 176.600 0.261 0.000 1.172 289 K CA -0.351 55.977 56.287 0.069 0.000 1.272 289 K CB 0.281 32.822 32.500 0.068 0.000 1.914 289 K HN 0.169 nan 8.250 nan 0.000 0.454 290 K N 0.979 121.531 120.400 0.253 0.000 2.472 290 K HA 0.011 4.251 4.320 -0.134 0.000 0.280 290 K C 0.529 177.317 176.600 0.313 0.000 1.028 290 K CA 0.943 57.372 56.287 0.237 0.000 1.045 290 K CB 0.316 32.923 32.500 0.178 0.000 0.902 290 K HN 0.738 nan 8.250 nan 0.000 0.478 291 G N 2.298 111.219 108.800 0.201 0.000 2.176 291 G HA2 -0.227 3.652 3.960 -0.134 0.000 0.253 291 G HA3 -0.227 3.652 3.960 -0.134 0.000 0.253 291 G C -0.637 174.266 174.900 0.006 0.000 0.979 291 G CA -0.289 44.858 45.100 0.080 0.000 0.641 291 G HN 0.573 nan 8.290 nan 0.000 0.530 292 W N 0.832 122.147 121.300 0.025 0.000 2.509 292 W HA 0.799 5.379 4.660 -0.134 0.000 0.351 292 W C 0.673 177.181 176.519 -0.018 0.000 1.107 292 W CA -0.391 56.962 57.345 0.014 0.000 1.264 292 W CB 0.976 30.479 29.460 0.072 0.000 1.312 292 W HN 0.531 nan 8.180 nan 0.000 0.608 293 A N 1.452 124.373 122.820 0.168 0.000 2.555 293 A HA 0.376 4.615 4.320 -0.134 0.000 0.233 293 A C 1.387 179.026 177.584 0.092 0.000 1.060 293 A CA 0.556 52.630 52.037 0.060 0.000 0.759 293 A CB 0.062 19.047 19.000 -0.025 0.000 0.995 293 A HN 1.052 nan 8.150 nan 0.000 0.506 294 A N 1.505 124.351 122.820 0.043 0.000 1.978 294 A HA -0.093 4.146 4.320 -0.134 0.000 0.220 294 A C 1.035 178.633 177.584 0.023 0.000 1.170 294 A CA 1.951 54.011 52.037 0.039 0.000 0.636 294 A CB -0.322 18.689 19.000 0.018 0.000 0.810 294 A HN 0.920 nan 8.150 nan 0.000 0.448 295 D N -1.680 118.716 120.400 -0.007 0.000 2.720 295 D HA 0.130 4.689 4.640 -0.134 0.000 0.285 295 D C -0.367 175.882 176.300 -0.086 0.000 1.359 295 D CA -0.151 53.828 54.000 -0.034 0.000 0.818 295 D CB -1.387 39.389 40.800 -0.040 0.000 1.108 295 D HN 0.042 nan 8.370 nan 0.000 0.474 296 T N 1.103 115.591 114.554 -0.109 0.000 2.923 296 T HA -0.030 4.240 4.350 -0.134 0.000 0.304 296 T C 0.327 174.799 174.700 -0.380 0.000 1.044 296 T CA 0.404 62.337 62.100 -0.279 0.000 1.141 296 T CB 0.705 69.339 68.868 -0.390 0.000 1.023 296 T HN 0.176 nan 8.240 nan 0.000 0.533 297 Q N 1.599 121.180 119.800 -0.365 0.000 2.290 297 Q HA 0.440 4.699 4.340 -0.134 0.000 0.259 297 Q C -0.946 174.846 176.000 -0.347 0.000 0.941 297 Q CA -0.440 55.208 55.803 -0.258 0.000 0.912 297 Q CB 1.129 29.787 28.738 -0.133 0.000 1.244 297 Q HN 0.536 nan 8.270 nan 0.000 0.441 298 F N 2.135 122.083 119.950 -0.004 0.000 2.421 298 F HA 0.467 4.913 4.527 -0.135 0.000 0.337 298 F C 0.171 175.974 175.800 0.006 0.000 1.105 298 F CA -0.650 57.353 58.000 0.005 0.000 1.049 298 F CB 0.956 39.937 39.000 -0.032 0.000 1.139 298 F HN 0.323 nan 8.300 nan 0.000 0.479 299 I N 2.530 123.231 120.570 0.218 0.000 2.377 299 I HA 0.349 4.438 4.170 -0.134 0.000 0.293 299 I C -0.674 175.529 176.117 0.142 0.000 0.987 299 I CA -0.582 60.801 61.300 0.139 0.000 1.185 299 I CB 1.815 39.878 38.000 0.105 0.000 1.341 299 I HN 0.535 nan 8.210 nan 0.000 0.455 300 Q N 6.252 126.100 119.800 0.081 0.000 2.303 300 Q HA 0.446 4.706 4.340 -0.134 0.000 0.267 300 Q C -1.824 174.186 176.000 0.016 0.000 1.011 300 Q CA -0.829 55.001 55.803 0.044 0.000 0.740 300 Q CB 1.579 30.318 28.738 0.001 0.000 1.250 300 Q HN 0.510 nan 8.270 nan 0.000 0.458 301 L N 4.221 125.450 121.223 0.010 0.000 2.283 301 L HA 0.462 4.721 4.340 -0.134 0.000 0.287 301 L C -0.360 176.507 176.870 -0.005 0.000 1.073 301 L CA 0.528 55.364 54.840 -0.007 0.000 0.822 301 L CB 1.021 43.064 42.059 -0.026 0.000 1.186 301 L HN 0.580 nan 8.230 nan 0.000 0.436 302 D N 2.153 122.549 120.400 -0.008 0.000 2.753 302 D HA 0.190 4.750 4.640 -0.134 0.000 0.224 302 D C 0.533 176.830 176.300 -0.006 0.000 1.213 302 D CA -0.505 53.490 54.000 -0.008 0.000 0.833 302 D CB 2.372 43.159 40.800 -0.021 0.000 1.607 302 D HN 0.389 nan 8.370 nan 0.000 0.463 303 I N 1.249 121.819 120.570 -0.000 0.000 2.928 303 I HA 0.006 4.096 4.170 -0.134 0.000 0.266 303 I C 0.234 176.348 176.117 -0.006 0.000 1.234 303 I CA 0.797 62.099 61.300 0.003 0.000 1.483 303 I CB 0.253 38.262 38.000 0.016 0.000 1.097 303 I HN 0.206 nan 8.210 nan 0.000 0.455 304 E N 2.349 122.540 120.200 -0.015 0.000 2.073 304 E HA 0.164 4.433 4.350 -0.134 0.000 0.269 304 E C -1.673 174.914 176.600 -0.022 0.000 0.917 304 E CA -1.810 54.577 56.400 -0.021 0.000 0.757 304 E CB 0.994 30.675 29.700 -0.031 0.000 1.111 304 E HN 0.185 nan 8.360 nan 0.000 0.410 305 P HA -0.195 nan 4.420 nan 0.000 0.220 305 P C 0.866 178.152 177.300 -0.024 0.000 1.148 305 P CA 1.120 64.209 63.100 -0.018 0.000 0.803 305 P CB 0.396 32.089 31.700 -0.013 0.000 0.782 306 Q N -0.314 119.471 119.800 -0.025 0.000 2.364 306 Q HA -0.164 4.095 4.340 -0.134 0.000 0.207 306 Q C 1.987 177.965 176.000 -0.037 0.000 0.970 306 Q CA 0.979 56.765 55.803 -0.029 0.000 0.888 306 Q CB -0.234 28.486 28.738 -0.029 0.000 0.951 306 Q HN 0.228 nan 8.270 nan 0.000 0.469 307 E N 0.302 120.477 120.200 -0.041 0.000 2.299 307 E HA -0.042 4.227 4.350 -0.134 0.000 0.193 307 E C 0.133 176.696 176.600 -0.062 0.000 0.998 307 E CA 0.104 56.473 56.400 -0.052 0.000 0.851 307 E CB 0.295 29.961 29.700 -0.056 0.000 0.795 307 E HN 0.076 nan 8.360 nan 0.000 0.492 308 I N 2.350 122.889 120.570 -0.052 0.000 2.648 308 I HA -0.030 4.059 4.170 -0.134 0.000 0.284 308 I C 0.121 176.202 176.117 -0.061 0.000 1.153 308 I CA 0.583 61.849 61.300 -0.057 0.000 1.426 308 I CB 0.082 38.060 38.000 -0.037 0.000 1.381 308 I HN 0.140 nan 8.210 nan 0.000 0.571 309 D N 2.886 123.239 120.400 -0.079 0.000 2.945 309 D HA -0.170 4.389 4.640 -0.134 0.000 0.225 309 D C 1.476 177.732 176.300 -0.074 0.000 1.158 309 D CA 1.247 55.202 54.000 -0.075 0.000 0.805 309 D CB -0.949 39.823 40.800 -0.047 0.000 1.098 309 D HN 0.744 nan 8.370 nan 0.000 0.426 310 S N -1.424 114.225 115.700 -0.085 0.000 2.406 310 S HA -0.057 4.332 4.470 -0.134 0.000 0.228 310 S C 1.517 176.079 174.600 -0.065 0.000 1.020 310 S CA 1.333 59.494 58.200 -0.065 0.000 0.965 310 S CB 0.284 63.450 63.200 -0.057 0.000 0.798 310 S HN 0.360 nan 8.310 nan 0.000 0.488 311 N N -0.225 118.415 118.700 -0.100 0.000 2.979 311 N HA 0.310 4.970 4.740 -0.134 0.000 0.247 311 N C -0.326 175.108 175.510 -0.127 0.000 1.012 311 N CA -0.023 52.969 53.050 -0.096 0.000 1.061 311 N CB 0.521 38.959 38.487 -0.082 0.000 1.677 311 N HN 0.005 nan 8.380 nan 0.000 0.558 312 R N 0.959 121.336 120.500 -0.205 0.000 2.664 312 R HA 0.512 4.772 4.340 -0.134 0.000 0.286 312 R C -2.659 173.571 176.300 -0.117 0.000 0.967 312 R CA -2.218 53.787 56.100 -0.159 0.000 0.933 312 R CB 0.312 30.485 30.300 -0.211 0.000 1.146 312 R HN 0.058 nan 8.270 nan 0.000 0.468 313 P HA 0.067 nan 4.420 nan 0.000 0.265 313 P C -0.293 177.033 177.300 0.044 0.000 1.193 313 P CA 0.228 63.326 63.100 -0.003 0.000 0.765 313 P CB 0.426 32.137 31.700 0.018 0.000 0.823 314 I N 2.715 123.297 120.570 0.021 0.000 2.330 314 I HA 0.182 4.272 4.170 -0.134 0.000 0.289 314 I C 1.413 177.573 176.117 0.072 0.000 1.001 314 I CA -0.593 60.748 61.300 0.067 0.000 1.193 314 I CB 0.599 38.597 38.000 -0.002 0.000 1.345 314 I HN 0.402 nan 8.210 nan 0.000 0.461 315 A N 6.740 129.622 122.820 0.104 0.000 1.877 315 A HA -0.028 4.211 4.320 -0.134 0.000 0.216 315 A C 0.966 178.576 177.584 0.042 0.000 1.186 315 A CA 1.401 53.473 52.037 0.057 0.000 0.620 315 A CB 0.003 19.028 19.000 0.042 0.000 0.822 315 A HN 0.479 nan 8.150 nan 0.000 0.443 316 V N 1.021 120.968 119.914 0.056 0.000 2.380 316 V HA 0.273 4.312 4.120 -0.134 0.000 0.268 316 V C -2.911 173.207 176.094 0.040 0.000 1.008 316 V CA -1.654 60.670 62.300 0.040 0.000 0.823 316 V CB 1.103 32.948 31.823 0.036 0.000 1.053 316 V HN 0.154 nan 8.190 nan 0.000 0.446 317 P HA 0.166 nan 4.420 nan 0.000 0.268 317 P C -0.431 176.876 177.300 0.011 0.000 1.204 317 P CA 0.176 63.284 63.100 0.013 0.000 0.768 317 P CB 0.927 32.628 31.700 0.002 0.000 0.842 318 V N 4.890 124.808 119.914 0.006 0.000 2.320 318 V HA 0.143 4.183 4.120 -0.134 0.000 0.268 318 V C -0.009 176.082 176.094 -0.005 0.000 1.021 318 V CA -0.598 61.702 62.300 0.000 0.000 0.813 318 V CB 1.427 33.247 31.823 -0.005 0.000 1.054 318 V HN 0.221 nan 8.190 nan 0.000 0.444 319 V N 3.768 123.680 119.914 -0.004 0.000 2.406 319 V HA 0.957 4.996 4.120 -0.134 0.000 0.272 319 V C 0.789 176.881 176.094 -0.003 0.000 1.043 319 V CA 0.481 62.779 62.300 -0.005 0.000 0.915 319 V CB 0.889 32.709 31.823 -0.005 0.000 0.988 319 V HN 0.992 nan 8.190 nan 0.000 0.466 320 G N 3.923 112.722 108.800 -0.002 0.000 2.316 320 G HA2 0.365 4.244 3.960 -0.134 0.000 0.296 320 G HA3 0.365 4.244 3.960 -0.134 0.000 0.296 320 G C -1.372 173.532 174.900 0.006 0.000 1.399 320 G CA -0.513 44.588 45.100 0.001 0.000 0.833 320 G HN 0.884 nan 8.290 nan 0.000 0.565 321 D N -0.816 119.591 120.400 0.011 0.000 2.414 321 D HA 0.309 4.869 4.640 -0.134 0.000 0.242 321 D C 1.452 177.758 176.300 0.009 0.000 1.129 321 D CA -0.562 53.452 54.000 0.022 0.000 0.885 321 D CB 1.153 41.972 40.800 0.031 0.000 1.198 321 D HN 0.333 nan 8.370 nan 0.000 0.437 322 I N 1.853 122.433 120.570 0.018 0.000 2.226 322 I HA -0.265 3.825 4.170 -0.134 0.000 0.245 322 I C 2.484 178.586 176.117 -0.026 0.000 1.100 322 I CA 1.363 62.661 61.300 -0.004 0.000 1.374 322 I CB -0.384 37.625 38.000 0.014 0.000 1.057 322 I HN 0.700 nan 8.210 nan 0.000 0.413 323 A N 0.143 122.951 122.820 -0.019 0.000 1.883 323 A HA -0.223 4.016 4.320 -0.134 0.000 0.217 323 A C 2.489 180.054 177.584 -0.031 0.000 1.186 323 A CA 2.369 54.386 52.037 -0.033 0.000 0.624 323 A CB -0.792 18.187 19.000 -0.035 0.000 0.822 323 A HN 0.396 nan 8.150 nan 0.000 0.444 324 S N 0.043 115.731 115.700 -0.020 0.000 2.368 324 S HA -0.110 4.279 4.470 -0.134 0.000 0.225 324 S C 2.292 176.877 174.600 -0.025 0.000 1.030 324 S CA 1.429 59.619 58.200 -0.017 0.000 0.999 324 S CB -0.311 62.884 63.200 -0.008 0.000 0.844 324 S HN 0.634 nan 8.310 nan 0.000 0.459 325 S N 1.478 117.159 115.700 -0.032 0.000 2.368 325 S HA 0.012 4.402 4.470 -0.134 0.000 0.225 325 S C 1.918 176.469 174.600 -0.081 0.000 1.030 325 S CA 0.999 59.171 58.200 -0.047 0.000 0.999 325 S CB -0.278 62.894 63.200 -0.048 0.000 0.844 325 S HN 0.330 nan 8.310 nan 0.000 0.459 326 M N 1.108 120.648 119.600 -0.100 0.000 2.213 326 M HA -0.059 4.340 4.480 -0.134 0.000 0.263 326 M C 2.240 178.493 176.300 -0.078 0.000 1.062 326 M CA 1.296 56.510 55.300 -0.144 0.000 1.105 326 M CB -1.343 31.175 32.600 -0.137 0.000 1.385 326 M HN 0.268 nan 8.290 nan 0.000 0.417 327 Q N 0.021 119.796 119.800 -0.041 0.000 2.050 327 Q HA -0.070 4.190 4.340 -0.134 0.000 0.202 327 Q C 2.025 178.027 176.000 0.003 0.000 0.980 327 Q CA 2.233 58.030 55.803 -0.011 0.000 0.840 327 Q CB -0.707 28.026 28.738 -0.009 0.000 0.898 327 Q HN 0.534 nan 8.270 nan 0.000 0.424 328 G N 0.015 108.811 108.800 -0.006 0.000 2.421 328 G HA2 -0.240 3.640 3.960 -0.134 0.000 0.216 328 G HA3 -0.240 3.640 3.960 -0.134 0.000 0.216 328 G C 1.314 176.231 174.900 0.029 0.000 1.171 328 G CA 1.075 46.181 45.100 0.010 0.000 0.775 328 G HN 0.266 nan 8.290 nan 0.000 0.543 329 M N -0.196 119.401 119.600 -0.006 0.000 2.108 329 M HA 0.000 4.400 4.480 -0.134 0.000 0.261 329 M C 2.520 178.945 176.300 0.208 0.000 1.066 329 M CA 0.896 56.211 55.300 0.026 0.000 1.107 329 M CB -1.058 31.383 32.600 -0.266 0.000 1.356 329 M HN 0.260 nan 8.290 nan 0.000 0.406 330 L N 0.629 121.953 121.223 0.168 0.000 2.046 330 L HA -0.055 4.204 4.340 -0.134 0.000 0.208 330 L C 2.583 179.542 176.870 0.149 0.000 1.077 330 L CA 2.061 57.048 54.840 0.246 0.000 0.747 330 L CB -1.064 41.094 42.059 0.165 0.000 0.896 330 L HN 0.248 nan 8.230 nan 0.000 0.432 331 A N -0.909 121.969 122.820 0.096 0.000 1.902 331 A HA -0.254 3.986 4.320 -0.134 0.000 0.217 331 A C 2.271 179.904 177.584 0.081 0.000 1.181 331 A CA 1.760 53.840 52.037 0.070 0.000 0.623 331 A CB -0.659 18.370 19.000 0.048 0.000 0.818 331 A HN 0.508 nan 8.150 nan 0.000 0.443 332 E N -0.385 119.876 120.200 0.102 0.000 2.106 332 E HA -0.151 4.118 4.350 -0.134 0.000 0.192 332 E C 1.774 178.453 176.600 0.133 0.000 0.984 332 E CA 1.179 57.644 56.400 0.108 0.000 0.806 332 E CB -0.349 29.419 29.700 0.114 0.000 0.750 332 E HN 0.422 nan 8.360 nan 0.000 0.458 333 L N 0.637 121.967 121.223 0.178 0.000 2.046 333 L HA -0.111 4.148 4.340 -0.134 0.000 0.208 333 L C 1.857 178.762 176.870 0.059 0.000 1.077 333 L CA 1.847 56.770 54.840 0.138 0.000 0.747 333 L CB -0.444 41.672 42.059 0.095 0.000 0.896 333 L HN -0.051 nan 8.230 nan 0.000 0.432 334 K N -0.497 119.934 120.400 0.053 0.000 2.152 334 K HA -0.150 4.089 4.320 -0.134 0.000 0.206 334 K C 2.107 178.726 176.600 0.032 0.000 1.048 334 K CA 1.326 57.629 56.287 0.027 0.000 0.933 334 K CB -0.216 32.302 32.500 0.030 0.000 0.721 334 K HN 0.405 nan 8.250 nan 0.000 0.447 335 Q N -0.259 119.569 119.800 0.047 0.000 2.331 335 Q HA 0.051 4.311 4.340 -0.134 0.000 0.203 335 Q C -0.199 175.831 176.000 0.051 0.000 0.944 335 Q CA 0.794 56.623 55.803 0.044 0.000 0.892 335 Q CB 0.204 28.969 28.738 0.045 0.000 0.983 335 Q HN 0.305 nan 8.270 nan 0.000 0.482 336 N N 0.469 119.212 118.700 0.072 0.000 2.752 336 N HA 0.071 4.731 4.740 -0.134 0.000 0.260 336 N C -1.161 174.428 175.510 0.132 0.000 1.562 336 N CA -0.135 52.971 53.050 0.093 0.000 0.788 336 N CB 1.264 39.812 38.487 0.102 0.000 1.192 336 N HN -0.016 nan 8.380 nan 0.000 0.503 337 T N -0.863 113.739 114.554 0.081 0.000 2.900 337 T HA 0.516 4.785 4.350 -0.134 0.000 0.307 337 T C -0.061 174.726 174.700 0.146 0.000 1.065 337 T CA -0.282 61.840 62.100 0.038 0.000 1.105 337 T CB 0.339 69.191 68.868 -0.027 0.000 0.979 337 T HN 0.294 nan 8.240 nan 0.000 0.544 338 F N -1.672 118.255 119.950 -0.039 0.000 2.686 338 F HA 0.750 5.197 4.527 -0.133 0.000 0.311 338 F C -1.163 174.614 175.800 -0.037 0.000 1.128 338 F CA -1.146 56.838 58.000 -0.028 0.000 0.946 338 F CB 1.273 40.261 39.000 -0.020 0.000 1.336 338 F HN 0.592 nan 8.300 nan 0.000 0.457 339 T N 0.992 115.600 114.554 0.090 0.000 2.841 339 T HA 0.403 4.672 4.350 -0.134 0.000 0.285 339 T C -0.640 174.194 174.700 0.224 0.000 0.991 339 T CA -0.614 61.480 62.100 -0.011 0.000 0.966 339 T CB 1.451 70.322 68.868 0.005 0.000 0.962 339 T HN 0.814 nan 8.240 nan 0.000 0.438 340 T N 5.786 120.467 114.554 0.212 0.000 2.933 340 T HA 0.112 4.382 4.350 -0.134 0.000 0.306 340 T C -2.193 172.641 174.700 0.224 0.000 1.045 340 T CA -0.451 61.829 62.100 0.300 0.000 1.143 340 T CB -0.056 68.996 68.868 0.307 0.000 1.003 340 T HN 0.300 nan 8.240 nan 0.000 0.540 341 P HA 0.021 nan 4.420 nan 0.000 0.261 341 P C 0.811 178.231 177.300 0.199 0.000 1.183 341 P CA -0.260 62.947 63.100 0.179 0.000 0.761 341 P CB 0.365 32.160 31.700 0.158 0.000 0.785 342 L N 6.247 127.550 121.223 0.134 0.000 2.079 342 L HA -0.165 4.094 4.340 -0.134 0.000 0.210 342 L C 2.125 179.069 176.870 0.123 0.000 1.081 342 L CA 1.722 56.626 54.840 0.107 0.000 0.752 342 L CB -1.027 41.074 42.059 0.069 0.000 0.896 342 L HN 0.229 nan 8.230 nan 0.000 0.433 343 V N -0.582 119.418 119.914 0.144 0.000 2.332 343 V HA -0.331 3.708 4.120 -0.134 0.000 0.248 343 V C 2.162 178.405 176.094 0.248 0.000 1.055 343 V CA 2.402 64.797 62.300 0.159 0.000 1.038 343 V CB -0.596 31.313 31.823 0.143 0.000 0.651 343 V HN 0.785 nan 8.190 nan 0.000 0.450 344 W N 0.783 122.125 121.300 0.070 0.000 2.355 344 W HA -0.221 4.360 4.660 -0.131 0.000 0.309 344 W C 2.561 179.139 176.519 0.098 0.000 1.206 344 W CA 1.584 58.983 57.345 0.091 0.000 1.284 344 W CB -0.153 29.351 29.460 0.073 0.000 1.145 344 W HN 0.180 nan 8.180 nan 0.000 0.502 345 R N 0.241 120.741 120.500 0.000 0.000 2.081 345 R HA -0.180 4.079 4.340 -0.134 0.000 0.235 345 R C 1.754 177.980 176.300 -0.123 0.000 1.131 345 R CA 2.035 58.038 56.100 -0.161 0.000 0.960 345 R CB -0.604 29.674 30.300 -0.036 0.000 0.856 345 R HN 0.108 nan 8.270 nan 0.000 0.436 346 D N 0.737 121.121 120.400 -0.026 0.000 2.097 346 D HA -0.148 4.411 4.640 -0.134 0.000 0.195 346 D C 1.916 178.190 176.300 -0.044 0.000 0.989 346 D CA 1.350 55.334 54.000 -0.026 0.000 0.827 346 D CB -0.239 40.568 40.800 0.012 0.000 0.966 346 D HN 0.376 nan 8.370 nan 0.000 0.456 347 I N -1.652 118.924 120.570 0.011 0.000 2.353 347 I HA -0.141 3.948 4.170 -0.134 0.000 0.248 347 I C 2.197 178.261 176.117 -0.089 0.000 1.119 347 I CA 0.810 62.126 61.300 0.028 0.000 1.417 347 I CB -0.482 37.650 38.000 0.219 0.000 1.078 347 I HN -0.097 nan 8.210 nan 0.000 0.421 348 L N 1.697 122.805 121.223 -0.191 0.000 2.013 348 L HA -0.257 4.002 4.340 -0.134 0.000 0.212 348 L C 2.413 179.156 176.870 -0.212 0.000 1.073 348 L CA 2.404 57.073 54.840 -0.286 0.000 0.753 348 L CB -0.997 40.755 42.059 -0.513 0.000 0.890 348 L HN 0.392 nan 8.230 nan 0.000 0.432 349 N N -0.454 118.138 118.700 -0.180 0.000 2.166 349 N HA -0.192 4.467 4.740 -0.134 0.000 0.186 349 N C 1.774 177.190 175.510 -0.157 0.000 1.019 349 N CA 0.807 53.771 53.050 -0.144 0.000 0.856 349 N CB 0.047 38.467 38.487 -0.111 0.000 0.993 349 N HN 0.182 nan 8.380 nan 0.000 0.426 350 I N 0.952 121.407 120.570 -0.191 0.000 2.163 350 I HA -0.256 3.834 4.170 -0.134 0.000 0.243 350 I C 1.750 177.636 176.117 -0.384 0.000 1.085 350 I CA 1.797 62.929 61.300 -0.279 0.000 1.347 350 I CB -1.392 36.396 38.000 -0.353 0.000 1.044 350 I HN 0.259 nan 8.210 nan 0.000 0.408 351 H N 0.613 119.468 119.070 -0.358 0.000 2.363 351 H HA -0.062 4.413 4.556 -0.135 0.000 0.301 351 H C 2.258 177.453 175.328 -0.222 0.000 1.074 351 H CA 1.313 57.145 56.048 -0.361 0.000 1.354 351 H CB -0.042 29.338 29.762 -0.636 0.000 1.397 351 H HN 0.244 nan 8.280 nan 0.000 0.516 352 K N 0.111 120.449 120.400 -0.103 0.000 2.057 352 K HA -0.220 4.019 4.320 -0.134 0.000 0.207 352 K C 2.230 178.777 176.600 -0.089 0.000 1.049 352 K CA 1.465 57.696 56.287 -0.094 0.000 0.931 352 K CB 0.020 32.455 32.500 -0.109 0.000 0.714 352 K HN 0.119 nan 8.250 nan 0.000 0.440 353 Q N 1.436 121.174 119.800 -0.104 0.000 2.079 353 Q HA -0.162 4.098 4.340 -0.134 0.000 0.200 353 Q C 1.848 177.801 176.000 -0.079 0.000 0.974 353 Q CA 1.641 57.395 55.803 -0.081 0.000 0.840 353 Q CB -0.021 28.663 28.738 -0.090 0.000 0.898 353 Q HN 0.305 nan 8.270 nan 0.000 0.430 354 Q N -0.432 119.297 119.800 -0.119 0.000 2.061 354 Q HA -0.155 4.104 4.340 -0.134 0.000 0.204 354 Q C 1.827 177.786 176.000 -0.068 0.000 0.984 354 Q CA 1.499 57.238 55.803 -0.106 0.000 0.846 354 Q CB -0.132 28.517 28.738 -0.148 0.000 0.902 354 Q HN 0.416 nan 8.270 nan 0.000 0.421 355 N N 0.112 118.774 118.700 -0.063 0.000 2.216 355 N HA -0.069 4.590 4.740 -0.134 0.000 0.183 355 N C 1.539 177.011 175.510 -0.064 0.000 1.017 355 N CA 1.164 54.182 53.050 -0.053 0.000 0.861 355 N CB -0.298 38.163 38.487 -0.043 0.000 0.986 355 N HN 0.237 nan 8.380 nan 0.000 0.428 356 A N 0.918 123.699 122.820 -0.065 0.000 1.908 356 A HA -0.230 4.010 4.320 -0.134 0.000 0.218 356 A C 2.216 179.791 177.584 -0.016 0.000 1.181 356 A CA 1.865 53.854 52.037 -0.081 0.000 0.627 356 A CB -0.714 18.270 19.000 -0.028 0.000 0.818 356 A HN 0.346 nan 8.150 nan 0.000 0.445 357 Q N 0.176 119.994 119.800 0.029 0.000 2.084 357 Q HA -0.172 4.087 4.340 -0.134 0.000 0.202 357 Q C 1.862 177.876 176.000 0.022 0.000 0.978 357 Q CA 2.351 58.189 55.803 0.059 0.000 0.844 357 Q CB -0.313 28.433 28.738 0.014 0.000 0.898 357 Q HN 0.669 nan 8.270 nan 0.000 0.426 358 K N -0.532 119.852 120.400 -0.027 0.000 2.057 358 K HA -0.145 4.095 4.320 -0.134 0.000 0.207 358 K C 2.059 178.607 176.600 -0.087 0.000 1.049 358 K CA 1.555 57.807 56.287 -0.058 0.000 0.931 358 K CB -0.241 32.218 32.500 -0.070 0.000 0.714 358 K HN 0.252 nan 8.250 nan 0.000 0.440 359 M N 0.636 120.180 119.600 -0.093 0.000 2.086 359 M HA -0.149 4.250 4.480 -0.134 0.000 0.261 359 M C 1.830 178.091 176.300 -0.065 0.000 1.067 359 M CA 1.794 57.031 55.300 -0.105 0.000 1.116 359 M CB -0.347 32.178 32.600 -0.125 0.000 1.348 359 M HN 0.143 nan 8.290 nan 0.000 0.407 360 H N 0.245 119.313 119.070 -0.004 0.000 2.387 360 H HA -0.120 4.353 4.556 -0.139 0.000 0.299 360 H C 2.032 177.358 175.328 -0.003 0.000 1.099 360 H CA 1.989 58.042 56.048 0.008 0.000 1.315 360 H CB -0.320 29.443 29.762 0.000 0.000 1.380 360 H HN 0.599 nan 8.280 nan 0.000 0.513 361 E N 0.735 120.984 120.200 0.082 0.000 2.031 361 E HA -0.153 4.116 4.350 -0.134 0.000 0.193 361 E C 2.240 178.838 176.600 -0.003 0.000 0.994 361 E CA 0.968 57.382 56.400 0.023 0.000 0.800 361 E CB 0.050 29.739 29.700 -0.019 0.000 0.752 361 E HN 0.406 nan 8.360 nan 0.000 0.447 362 K N 0.602 120.957 120.400 -0.075 0.000 2.057 362 K HA -0.117 4.122 4.320 -0.134 0.000 0.207 362 K C 2.212 178.861 176.600 0.082 0.000 1.049 362 K CA 0.967 57.175 56.287 -0.132 0.000 0.931 362 K CB -0.122 32.025 32.500 -0.589 0.000 0.714 362 K HN 0.088 nan 8.250 nan 0.000 0.440 363 L N 0.745 122.052 121.223 0.140 0.000 2.083 363 L HA -0.159 4.101 4.340 -0.134 0.000 0.209 363 L C 2.305 179.266 176.870 0.152 0.000 1.083 363 L CA 1.430 56.392 54.840 0.203 0.000 0.752 363 L CB -0.415 41.761 42.059 0.194 0.000 0.899 363 L HN 0.263 nan 8.230 nan 0.000 0.433 364 S N -3.212 112.558 115.700 0.118 0.000 2.535 364 S HA 0.057 4.447 4.470 -0.134 0.000 0.214 364 S C 0.852 175.489 174.600 0.062 0.000 0.980 364 S CA -0.369 57.883 58.200 0.087 0.000 0.907 364 S CB -0.115 63.129 63.200 0.075 0.000 0.790 364 S HN 0.161 nan 8.310 nan 0.000 0.510 365 T N 3.567 118.157 114.554 0.060 0.000 2.729 365 T HA 0.299 4.568 4.350 -0.134 0.000 0.296 365 T C -0.534 174.197 174.700 0.051 0.000 0.928 365 T CA -0.247 61.879 62.100 0.043 0.000 1.045 365 T CB 0.850 69.735 68.868 0.029 0.000 0.902 365 T HN 0.291 nan 8.240 nan 0.000 0.500 366 D N 2.841 123.264 120.400 0.039 0.000 2.414 366 D HA 0.330 4.889 4.640 -0.134 0.000 0.242 366 D C 0.246 176.566 176.300 0.034 0.000 1.129 366 D CA 0.220 54.241 54.000 0.035 0.000 0.885 366 D CB 0.692 41.506 40.800 0.024 0.000 1.198 366 D HN 0.593 nan 8.370 nan 0.000 0.437 367 T N 0.657 115.232 114.554 0.034 0.000 2.900 367 T HA 0.533 4.803 4.350 -0.134 0.000 0.303 367 T C -1.025 173.686 174.700 0.018 0.000 1.142 367 T CA -1.101 61.017 62.100 0.031 0.000 1.007 367 T CB 1.745 70.641 68.868 0.046 0.000 1.156 367 T HN 0.227 nan 8.240 nan 0.000 0.490 368 Q N 1.836 121.645 119.800 0.015 0.000 2.290 368 Q HA 0.464 4.723 4.340 -0.134 0.000 0.269 368 Q C -2.521 173.486 176.000 0.012 0.000 1.016 368 Q CA -1.341 54.467 55.803 0.008 0.000 0.754 368 Q CB 1.948 30.689 28.738 0.004 0.000 1.247 368 Q HN 0.669 nan 8.270 nan 0.000 0.451 369 P HA 0.217 nan 4.420 nan 0.000 0.273 369 P C -0.001 177.294 177.300 -0.009 0.000 1.250 369 P CA -0.572 62.528 63.100 0.001 0.000 0.793 369 P CB 0.679 32.383 31.700 0.006 0.000 1.011 370 L N 1.163 122.362 121.223 -0.039 0.000 2.499 370 L HA 0.044 4.303 4.340 -0.134 0.000 0.281 370 L C 1.120 177.956 176.870 -0.057 0.000 1.234 370 L CA 0.096 54.903 54.840 -0.054 0.000 0.839 370 L CB -0.286 41.701 42.059 -0.120 0.000 1.104 370 L HN 0.613 nan 8.230 nan 0.000 0.500 371 N N -0.222 118.479 118.700 0.002 0.000 2.741 371 N HA 0.163 4.822 4.740 -0.134 0.000 0.310 371 N C 0.322 175.847 175.510 0.026 0.000 1.295 371 N CA -0.542 52.535 53.050 0.044 0.000 0.893 371 N CB 0.187 38.800 38.487 0.210 0.000 1.247 371 N HN 0.351 nan 8.380 nan 0.000 0.596 372 Y N -1.254 119.139 120.300 0.154 0.000 2.293 372 Y HA 0.056 4.525 4.550 -0.136 0.000 0.291 372 Y C 1.497 177.368 175.900 -0.048 0.000 1.137 372 Y CA 1.242 59.378 58.100 0.061 0.000 1.202 372 Y CB -0.318 38.015 38.460 -0.212 0.000 0.990 372 Y HN 0.398 nan 8.280 nan 0.000 0.537 373 F N 0.486 120.595 119.950 0.265 0.000 2.118 373 F HA -0.173 4.272 4.527 -0.136 0.000 0.293 373 F C 2.159 178.039 175.800 0.135 0.000 1.102 373 F CA 1.345 59.448 58.000 0.172 0.000 1.247 373 F CB -0.813 38.262 39.000 0.124 0.000 1.017 373 F HN 0.150 nan 8.300 nan 0.000 0.475 374 N N 0.930 119.801 118.700 0.285 0.000 2.244 374 N HA -0.105 4.554 4.740 -0.134 0.000 0.183 374 N C 1.595 177.176 175.510 0.117 0.000 1.016 374 N CA 1.297 54.449 53.050 0.170 0.000 0.866 374 N CB -1.062 37.498 38.487 0.121 0.000 0.980 374 N HN 0.209 nan 8.380 nan 0.000 0.430 375 A N 1.122 124.000 122.820 0.097 0.000 1.877 375 A HA 0.042 4.281 4.320 -0.134 0.000 0.216 375 A C 2.291 179.986 177.584 0.185 0.000 1.186 375 A CA 1.075 53.142 52.037 0.050 0.000 0.620 375 A CB -0.930 17.979 19.000 -0.150 0.000 0.822 375 A HN 0.299 nan 8.150 nan 0.000 0.443 376 L N -0.650 120.733 121.223 0.266 0.000 2.275 376 L HA -0.102 4.157 4.340 -0.134 0.000 0.215 376 L C 2.818 179.777 176.870 0.148 0.000 1.119 376 L CA 1.092 56.064 54.840 0.220 0.000 0.790 376 L CB -0.274 41.854 42.059 0.116 0.000 0.919 376 L HN 0.483 nan 8.230 nan 0.000 0.443 377 S N -0.105 115.683 115.700 0.148 0.000 2.356 377 S HA -0.194 4.195 4.470 -0.134 0.000 0.223 377 S C 2.196 176.859 174.600 0.105 0.000 1.032 377 S CA 1.305 59.583 58.200 0.130 0.000 1.005 377 S CB -0.055 63.229 63.200 0.141 0.000 0.867 377 S HN 0.461 nan 8.310 nan 0.000 0.449 378 A N 0.806 123.681 122.820 0.093 0.000 1.908 378 A HA -0.040 4.199 4.320 -0.134 0.000 0.218 378 A C 2.319 179.946 177.584 0.072 0.000 1.181 378 A CA 1.876 53.954 52.037 0.068 0.000 0.627 378 A CB -1.069 17.956 19.000 0.043 0.000 0.818 378 A HN 0.451 nan 8.150 nan 0.000 0.445 379 V N 0.064 120.038 119.914 0.099 0.000 2.295 379 V HA -0.281 3.758 4.120 -0.134 0.000 0.246 379 V C 2.639 178.787 176.094 0.089 0.000 1.049 379 V CA 2.332 64.693 62.300 0.102 0.000 1.024 379 V CB -0.852 31.060 31.823 0.149 0.000 0.648 379 V HN 0.686 nan 8.190 nan 0.000 0.447 380 R N 0.130 120.688 120.500 0.096 0.000 2.096 380 R HA -0.226 4.034 4.340 -0.134 0.000 0.240 380 R C 2.064 178.421 176.300 0.095 0.000 1.139 380 R CA 2.300 58.460 56.100 0.099 0.000 0.952 380 R CB -0.445 29.916 30.300 0.102 0.000 0.854 380 R HN 0.521 nan 8.270 nan 0.000 0.436 381 D N -0.228 120.221 120.400 0.081 0.000 2.123 381 D HA -0.139 4.420 4.640 -0.134 0.000 0.196 381 D C 1.940 178.268 176.300 0.046 0.000 0.992 381 D CA 1.352 55.390 54.000 0.064 0.000 0.833 381 D CB -0.171 40.662 40.800 0.054 0.000 0.954 381 D HN 0.136 nan 8.370 nan 0.000 0.455 382 V N 0.966 120.906 119.914 0.043 0.000 2.379 382 V HA -0.157 3.883 4.120 -0.134 0.000 0.245 382 V C 2.579 178.691 176.094 0.029 0.000 1.044 382 V CA 0.969 63.285 62.300 0.026 0.000 1.036 382 V CB -0.375 31.459 31.823 0.017 0.000 0.664 382 V HN 0.209 nan 8.190 nan 0.000 0.453 383 L N -0.343 120.911 121.223 0.053 0.000 2.217 383 L HA -0.099 4.160 4.340 -0.134 0.000 0.211 383 L C 2.681 179.584 176.870 0.056 0.000 1.107 383 L CA 1.215 56.093 54.840 0.063 0.000 0.783 383 L CB -0.650 41.464 42.059 0.090 0.000 0.919 383 L HN 0.280 nan 8.230 nan 0.000 0.442 384 R N 0.571 121.108 120.500 0.060 0.000 2.159 384 R HA -0.150 4.109 4.340 -0.134 0.000 0.237 384 R C 1.417 177.646 176.300 -0.118 0.000 1.131 384 R CA 1.133 57.226 56.100 -0.011 0.000 0.982 384 R CB 0.162 30.487 30.300 0.043 0.000 0.868 384 R HN 0.367 nan 8.270 nan 0.000 0.453 385 E N -0.280 119.887 120.200 -0.055 0.000 2.479 385 E HA 0.056 4.326 4.350 -0.134 0.000 0.193 385 E C -0.215 176.354 176.600 -0.051 0.000 1.049 385 E CA 0.164 56.529 56.400 -0.060 0.000 0.870 385 E CB 0.424 30.106 29.700 -0.030 0.000 0.944 385 E HN 0.271 nan 8.360 nan 0.000 0.492 386 N N 1.388 120.064 118.700 -0.040 0.000 2.703 386 N HA 0.109 4.768 4.740 -0.134 0.000 0.283 386 N C 0.196 175.697 175.510 -0.015 0.000 1.851 386 N CA 0.039 53.078 53.050 -0.017 0.000 0.826 386 N CB 0.986 39.477 38.487 0.007 0.000 1.239 386 N HN 0.092 nan 8.380 nan 0.000 0.495 387 Q N 0.048 119.815 119.800 -0.054 0.000 2.482 387 Q HA -0.052 4.208 4.340 -0.134 0.000 0.209 387 Q C 0.768 176.757 176.000 -0.019 0.000 0.961 387 Q CA 0.681 56.457 55.803 -0.046 0.000 0.945 387 Q CB 0.189 28.840 28.738 -0.145 0.000 1.012 387 Q HN 0.432 nan 8.270 nan 0.000 0.515 388 D N 0.510 120.905 120.400 -0.008 0.000 2.340 388 D HA -0.036 4.523 4.640 -0.134 0.000 0.220 388 D C 0.763 177.083 176.300 0.033 0.000 1.039 388 D CA -0.107 53.897 54.000 0.008 0.000 0.866 388 D CB -0.185 40.632 40.800 0.028 0.000 0.913 388 D HN 0.269 nan 8.370 nan 0.000 0.523 389 I N -2.281 118.309 120.570 0.032 0.000 2.886 389 I HA 0.376 4.465 4.170 -0.134 0.000 0.299 389 I C -0.552 175.580 176.117 0.025 0.000 1.044 389 I CA -1.011 60.346 61.300 0.096 0.000 1.310 389 I CB 0.326 38.382 38.000 0.094 0.000 1.441 389 I HN -0.312 nan 8.210 nan 0.000 0.578 390 Y N 3.146 123.477 120.300 0.052 0.000 2.361 390 Y HA 0.653 5.130 4.550 -0.123 0.000 0.332 390 Y C -0.425 175.512 175.900 0.061 0.000 1.101 390 Y CA -0.636 57.497 58.100 0.055 0.000 1.137 390 Y CB 1.736 40.227 38.460 0.050 0.000 1.207 390 Y HN 0.559 nan 8.280 nan 0.000 0.463 391 L N 3.724 125.047 121.223 0.166 0.000 2.319 391 L HA 0.691 4.950 4.340 -0.134 0.000 0.281 391 L C -1.378 175.573 176.870 0.135 0.000 1.005 391 L CA -0.500 54.414 54.840 0.124 0.000 0.828 391 L CB 0.985 43.087 42.059 0.071 0.000 1.227 391 L HN 0.413 nan 8.230 nan 0.000 0.415 392 V N 5.577 125.573 119.914 0.136 0.000 2.547 392 V HA 0.557 4.596 4.120 -0.134 0.000 0.299 392 V C -0.327 175.819 176.094 0.087 0.000 1.040 392 V CA -0.658 61.726 62.300 0.139 0.000 0.913 392 V CB 1.785 33.711 31.823 0.171 0.000 0.992 392 V HN 0.897 nan 8.190 nan 0.000 0.449 393 N N 2.949 121.687 118.700 0.064 0.000 2.406 393 N HA 0.474 5.133 4.740 -0.134 0.000 0.283 393 N C -1.621 173.880 175.510 -0.015 0.000 1.074 393 N CA -0.441 52.613 53.050 0.008 0.000 0.916 393 N CB 2.370 40.849 38.487 -0.013 0.000 1.639 393 N HN 0.954 nan 8.380 nan 0.000 0.485 394 E N 2.159 122.336 120.200 -0.037 0.000 2.407 394 E HA 0.726 4.996 4.350 -0.134 0.000 0.279 394 E C -0.423 176.145 176.600 -0.053 0.000 1.012 394 E CA -0.987 55.377 56.400 -0.060 0.000 0.800 394 E CB 2.166 31.808 29.700 -0.097 0.000 1.276 394 E HN 0.726 nan 8.360 nan 0.000 0.452 395 G N -0.135 108.629 108.800 -0.061 0.000 2.320 395 G HA2 0.387 4.266 3.960 -0.134 0.000 0.274 395 G HA3 0.387 4.266 3.960 -0.134 0.000 0.274 395 G C -0.325 174.555 174.900 -0.033 0.000 1.324 395 G CA 0.059 45.135 45.100 -0.040 0.000 0.957 395 G HN 0.936 nan 8.290 nan 0.000 0.481 396 A N -0.736 122.081 122.820 -0.005 0.000 2.213 396 A HA 0.465 4.704 4.320 -0.134 0.000 0.220 396 A C 1.801 179.352 177.584 -0.054 0.000 2.232 396 A CA 1.384 53.448 52.037 0.045 0.000 1.017 396 A CB -0.687 18.456 19.000 0.239 0.000 1.372 396 A HN 0.735 nan 8.150 nan 0.000 0.614 397 N N 0.353 118.979 118.700 -0.122 0.000 2.104 397 N HA -0.121 4.538 4.740 -0.134 0.000 0.190 397 N C 1.531 176.738 175.510 -0.505 0.000 1.024 397 N CA 2.190 54.957 53.050 -0.472 0.000 0.853 397 N CB -0.384 37.549 38.487 -0.924 0.000 1.008 397 N HN 0.497 nan 8.380 nan 0.000 0.424 398 T N 0.693 115.107 114.554 -0.234 0.000 2.833 398 T HA -0.088 4.181 4.350 -0.134 0.000 0.269 398 T C 1.775 176.331 174.700 -0.241 0.000 1.054 398 T CA 0.663 62.639 62.100 -0.206 0.000 1.135 398 T CB -0.241 68.553 68.868 -0.123 0.000 0.869 398 T HN 0.130 nan 8.240 nan 0.000 0.466 399 L N 1.366 122.494 121.223 -0.159 0.000 2.034 399 L HA 0.026 4.285 4.340 -0.134 0.000 0.203 399 L C 1.937 178.732 176.870 -0.124 0.000 1.074 399 L CA 1.850 56.620 54.840 -0.118 0.000 0.748 399 L CB -0.629 41.391 42.059 -0.065 0.000 0.905 399 L HN 0.001 nan 8.230 nan 0.000 0.439 400 D N -0.276 120.050 120.400 -0.124 0.000 2.117 400 D HA -0.177 4.383 4.640 -0.134 0.000 0.197 400 D C 1.898 178.115 176.300 -0.138 0.000 0.987 400 D CA 1.772 55.709 54.000 -0.105 0.000 0.829 400 D CB -0.317 40.432 40.800 -0.086 0.000 0.961 400 D HN 0.522 nan 8.370 nan 0.000 0.460 401 N N 0.682 119.247 118.700 -0.225 0.000 2.142 401 N HA -0.076 4.584 4.740 -0.134 0.000 0.186 401 N C 1.846 177.238 175.510 -0.196 0.000 1.023 401 N CA 1.139 54.027 53.050 -0.270 0.000 0.852 401 N CB -0.028 38.171 38.487 -0.480 0.000 0.998 401 N HN 0.070 nan 8.380 nan 0.000 0.424 402 A N 1.405 124.105 122.820 -0.199 0.000 1.933 402 A HA -0.145 4.094 4.320 -0.134 0.000 0.218 402 A C 2.099 179.630 177.584 -0.089 0.000 1.175 402 A CA 1.159 53.107 52.037 -0.148 0.000 0.628 402 A CB -0.532 18.360 19.000 -0.180 0.000 0.814 402 A HN 0.206 nan 8.150 nan 0.000 0.444 403 R N -0.195 120.254 120.500 -0.085 0.000 2.083 403 R HA -0.185 4.074 4.340 -0.134 0.000 0.237 403 R C 1.703 177.974 176.300 -0.049 0.000 1.137 403 R CA 1.938 58.004 56.100 -0.057 0.000 0.951 403 R CB -0.299 29.968 30.300 -0.054 0.000 0.851 403 R HN 0.535 nan 8.270 nan 0.000 0.434 404 N N 0.163 118.832 118.700 -0.052 0.000 2.216 404 N HA -0.096 4.563 4.740 -0.134 0.000 0.183 404 N C 1.768 177.262 175.510 -0.026 0.000 1.017 404 N CA 1.353 54.383 53.050 -0.033 0.000 0.861 404 N CB -0.001 38.481 38.487 -0.009 0.000 0.986 404 N HN 0.342 nan 8.380 nan 0.000 0.428 405 I N 0.227 120.781 120.570 -0.026 0.000 2.927 405 I HA 0.039 4.128 4.170 -0.134 0.000 0.268 405 I C 0.082 176.200 176.117 0.002 0.000 1.153 405 I CA 0.191 61.490 61.300 -0.002 0.000 1.459 405 I CB 0.329 38.337 38.000 0.013 0.000 1.149 405 I HN -0.106 nan 8.210 nan 0.000 0.443 406 I N 2.891 123.457 120.570 -0.007 0.000 2.347 406 I HA 0.077 4.167 4.170 -0.134 0.000 0.294 406 I C -0.363 175.746 176.117 -0.013 0.000 1.090 406 I CA -0.108 61.199 61.300 0.012 0.000 1.314 406 I CB -0.536 37.474 38.000 0.016 0.000 1.423 406 I HN 0.049 nan 8.210 nan 0.000 0.503 407 D N 7.298 127.683 120.400 -0.026 0.000 2.390 407 D HA 0.175 4.735 4.640 -0.134 0.000 0.249 407 D C 0.305 176.498 176.300 -0.180 0.000 1.144 407 D CA 0.028 53.937 54.000 -0.152 0.000 0.880 407 D CB 1.206 41.839 40.800 -0.279 0.000 1.182 407 D HN 0.212 nan 8.370 nan 0.000 0.451 408 M N 2.408 121.885 119.600 -0.205 0.000 2.209 408 M HA 0.129 4.529 4.480 -0.134 0.000 0.355 408 M C 0.172 176.318 176.300 -0.257 0.000 1.171 408 M CA -0.425 54.801 55.300 -0.124 0.000 1.069 408 M CB 0.940 33.510 32.600 -0.051 0.000 1.622 408 M HN 0.428 nan 8.290 nan 0.000 0.459 409 Y N 0.632 120.931 120.300 -0.001 0.000 2.481 409 Y HA 0.242 4.796 4.550 0.007 0.000 0.258 409 Y C 0.483 176.375 175.900 -0.013 0.000 1.103 409 Y CA 0.332 58.435 58.100 0.005 0.000 1.287 409 Y CB 0.724 39.184 38.460 0.001 0.000 1.108 409 Y HN 0.450 nan 8.280 nan 0.000 0.529 410 K N 0.264 120.712 120.400 0.079 0.000 2.443 410 K HA 0.375 4.615 4.320 -0.134 0.000 0.251 410 K C -2.940 173.637 176.600 -0.039 0.000 0.972 410 K CA -2.156 54.135 56.287 0.007 0.000 0.833 410 K CB 2.061 34.543 32.500 -0.029 0.000 1.317 410 K HN -0.301 nan 8.250 nan 0.000 0.441 411 P HA 0.161 nan 4.420 nan 0.000 0.276 411 P C -0.962 176.292 177.300 -0.077 0.000 1.244 411 P CA -0.232 62.835 63.100 -0.054 0.000 0.801 411 P CB 0.432 32.090 31.700 -0.069 0.000 1.006 412 R N -0.045 120.442 120.500 -0.022 0.000 3.416 412 R HA -0.171 4.088 4.340 -0.134 0.000 0.263 412 R C 0.563 176.870 176.300 0.012 0.000 1.053 412 R CA 0.237 56.344 56.100 0.011 0.000 0.705 412 R CB -1.197 28.962 30.300 -0.236 0.000 1.124 412 R HN 0.443 nan 8.270 nan 0.000 0.444 413 R N -0.006 120.463 120.500 -0.051 0.000 2.446 413 R HA 0.153 4.412 4.340 -0.134 0.000 0.254 413 R C 0.619 176.919 176.300 -0.000 0.000 0.918 413 R CA 0.025 55.977 56.100 -0.246 0.000 1.069 413 R CB 0.458 30.539 30.300 -0.365 0.000 1.194 413 R HN 0.222 nan 8.270 nan 0.000 0.534 414 R N 0.908 121.456 120.500 0.079 0.000 2.338 414 R HA 0.475 4.734 4.340 -0.134 0.000 0.317 414 R C -1.220 175.121 176.300 0.068 0.000 0.968 414 R CA -0.427 55.720 56.100 0.077 0.000 0.849 414 R CB 0.668 30.996 30.300 0.046 0.000 1.128 414 R HN -0.152 nan 8.270 nan 0.000 0.448 415 L N 4.898 126.160 121.223 0.065 0.000 2.409 415 L HA 0.457 4.717 4.340 -0.134 0.000 0.272 415 L C -0.763 176.202 176.870 0.157 0.000 0.980 415 L CA -0.483 54.361 54.840 0.007 0.000 0.826 415 L CB 1.885 43.893 42.059 -0.085 0.000 1.268 415 L HN 0.817 nan 8.230 nan 0.000 0.407 416 D N -0.111 120.390 120.400 0.167 0.000 2.867 416 D HA 0.221 4.781 4.640 -0.134 0.000 0.308 416 D C 0.652 177.022 176.300 0.117 0.000 1.202 416 D CA -0.551 53.525 54.000 0.127 0.000 1.035 416 D CB 0.634 41.460 40.800 0.042 0.000 1.427 416 D HN 0.307 nan 8.370 nan 0.000 0.570 417 C N -0.084 119.221 119.300 0.009 0.000 2.410 417 C HA 0.420 4.800 4.460 -0.134 0.000 0.281 417 C C 1.685 176.693 174.990 0.031 0.000 1.318 417 C CA 1.033 60.028 59.018 -0.038 0.000 1.776 417 C CB -1.897 25.822 27.740 -0.036 0.000 1.942 417 C HN 0.951 nan 8.230 nan 0.000 0.508 418 G N -0.000 108.836 108.800 0.061 0.000 2.645 418 G HA2 -0.276 3.603 3.960 -0.134 0.000 0.239 418 G HA3 -0.276 3.603 3.960 -0.134 0.000 0.239 418 G C 0.529 175.484 174.900 0.092 0.000 1.331 418 G CA 0.211 45.337 45.100 0.044 0.000 0.890 418 G HN 0.236 nan 8.290 nan 0.000 0.572 419 T N -0.506 114.074 114.554 0.044 0.000 2.867 419 T HA -0.060 4.209 4.350 -0.134 0.000 0.268 419 T C 1.529 176.488 174.700 0.431 0.000 1.057 419 T CA 2.225 64.421 62.100 0.160 0.000 1.136 419 T CB -0.091 68.761 68.868 -0.027 0.000 0.874 419 T HN 0.428 nan 8.240 nan 0.000 0.466 420 W N 1.151 122.506 121.300 0.091 0.000 3.290 420 W HA 0.465 5.044 4.660 -0.135 0.000 0.287 420 W C 1.462 177.978 176.519 -0.005 0.000 1.288 420 W CA -0.809 56.555 57.345 0.031 0.000 1.725 420 W CB -0.817 28.626 29.460 -0.028 0.000 1.103 420 W HN 0.370 nan 8.180 nan 0.000 0.670 421 G N 1.760 110.712 108.800 0.252 0.000 2.366 421 G HA2 -0.264 3.615 3.960 -0.134 0.000 0.299 421 G HA3 -0.264 3.615 3.960 -0.134 0.000 0.299 421 G C -0.048 174.830 174.900 -0.036 0.000 1.020 421 G CA 0.210 45.379 45.100 0.116 0.000 1.026 421 G HN -0.016 nan 8.290 nan 0.000 0.512 422 V N 2.152 122.030 119.914 -0.060 0.000 2.508 422 V HA 0.321 4.361 4.120 -0.134 0.000 0.281 422 V C 0.984 176.875 176.094 -0.339 0.000 1.041 422 V CA -0.266 61.916 62.300 -0.196 0.000 1.016 422 V CB 1.181 32.905 31.823 -0.165 0.000 0.984 422 V HN 0.424 nan 8.190 nan 0.000 0.478 423 M N 3.935 123.227 119.600 -0.514 0.000 2.185 423 M HA 0.476 4.875 4.480 -0.134 0.000 0.357 423 M C 1.071 176.947 176.300 -0.706 0.000 1.260 423 M CA 0.261 55.140 55.300 -0.703 0.000 1.124 423 M CB 0.197 32.076 32.600 -1.201 0.000 1.600 423 M HN 0.967 nan 8.290 nan 0.000 0.467 424 G N 2.919 111.468 108.800 -0.418 0.000 2.227 424 G HA2 -0.173 3.707 3.960 -0.134 0.000 0.168 424 G HA3 -0.173 3.707 3.960 -0.134 0.000 0.168 424 G C 0.276 174.987 174.900 -0.315 0.000 1.006 424 G CA 0.128 45.120 45.100 -0.180 0.000 0.684 424 G HN 0.687 nan 8.290 nan 0.000 0.489 425 I N 0.114 120.287 120.570 -0.661 0.000 3.578 425 I HA 0.465 4.555 4.170 -0.134 0.000 0.295 425 I C 2.103 177.855 176.117 -0.608 0.000 1.280 425 I CA 0.996 61.636 61.300 -1.100 0.000 1.347 425 I CB -0.772 36.222 38.000 -1.676 0.000 1.051 425 I HN 0.086 nan 8.210 nan 0.000 0.460 426 G N 1.323 109.966 108.800 -0.262 0.000 2.433 426 G HA2 -0.143 3.737 3.960 -0.134 0.000 0.216 426 G HA3 -0.143 3.737 3.960 -0.134 0.000 0.216 426 G C 1.452 176.384 174.900 0.053 0.000 1.186 426 G CA 1.046 46.114 45.100 -0.054 0.000 0.779 426 G HN 0.267 nan 8.290 nan 0.000 0.543 427 M N 1.127 120.769 119.600 0.071 0.000 2.132 427 M HA 0.062 4.461 4.480 -0.134 0.000 0.263 427 M C 2.851 179.270 176.300 0.199 0.000 1.065 427 M CA 1.251 56.636 55.300 0.141 0.000 1.122 427 M CB -1.743 30.930 32.600 0.123 0.000 1.365 427 M HN 0.270 nan 8.290 nan 0.000 0.411 428 G N -0.539 108.386 108.800 0.208 0.000 2.446 428 G HA2 -0.234 3.645 3.960 -0.134 0.000 0.217 428 G HA3 -0.234 3.645 3.960 -0.134 0.000 0.217 428 G C 1.376 176.453 174.900 0.295 0.000 1.168 428 G CA 0.578 45.847 45.100 0.281 0.000 0.771 428 G HN 0.290 nan 8.290 nan 0.000 0.551 429 Y N 1.331 121.667 120.300 0.059 0.000 2.181 429 Y HA 0.025 4.495 4.550 -0.134 0.000 0.288 429 Y C 3.136 179.050 175.900 0.023 0.000 1.146 429 Y CA 0.174 58.280 58.100 0.010 0.000 1.164 429 Y CB -1.080 37.371 38.460 -0.014 0.000 0.982 429 Y HN 0.281 nan 8.280 nan 0.000 0.515 430 A N 0.143 123.097 122.820 0.222 0.000 1.877 430 A HA -0.159 4.080 4.320 -0.134 0.000 0.216 430 A C 2.396 180.044 177.584 0.107 0.000 1.186 430 A CA 1.685 53.811 52.037 0.148 0.000 0.620 430 A CB -1.050 18.040 19.000 0.150 0.000 0.822 430 A HN 0.398 nan 8.150 nan 0.000 0.443 431 I N -0.341 120.317 120.570 0.146 0.000 2.142 431 I HA -0.198 3.891 4.170 -0.134 0.000 0.240 431 I C 2.760 178.945 176.117 0.112 0.000 1.078 431 I CA 1.195 62.577 61.300 0.137 0.000 1.343 431 I CB -0.706 37.414 38.000 0.201 0.000 1.046 431 I HN 0.391 nan 8.210 nan 0.000 0.405 432 G N 0.455 109.289 108.800 0.058 0.000 2.446 432 G HA2 -0.289 3.590 3.960 -0.134 0.000 0.217 432 G HA3 -0.289 3.590 3.960 -0.134 0.000 0.217 432 G C 1.839 176.700 174.900 -0.065 0.000 1.168 432 G CA 0.967 46.019 45.100 -0.080 0.000 0.771 432 G HN 0.507 nan 8.290 nan 0.000 0.551 433 A N 0.319 123.070 122.820 -0.114 0.000 1.877 433 A HA 0.004 4.244 4.320 -0.134 0.000 0.216 433 A C 2.656 180.021 177.584 -0.364 0.000 1.186 433 A CA 2.337 54.182 52.037 -0.320 0.000 0.620 433 A CB -0.866 17.943 19.000 -0.318 0.000 0.822 433 A HN 0.429 nan 8.150 nan 0.000 0.443 434 S N -0.689 114.911 115.700 -0.166 0.000 2.356 434 S HA -0.127 4.262 4.470 -0.134 0.000 0.223 434 S C 1.941 176.501 174.600 -0.068 0.000 1.032 434 S CA 1.642 59.781 58.200 -0.102 0.000 1.005 434 S CB -0.501 62.692 63.200 -0.011 0.000 0.867 434 S HN 0.289 nan 8.310 nan 0.000 0.449 435 V N 1.417 121.324 119.914 -0.013 0.000 2.295 435 V HA -0.153 3.886 4.120 -0.134 0.000 0.246 435 V C 2.659 178.747 176.094 -0.010 0.000 1.049 435 V CA 2.345 64.648 62.300 0.006 0.000 1.024 435 V CB -1.386 30.486 31.823 0.082 0.000 0.648 435 V HN 0.552 nan 8.190 nan 0.000 0.447 436 T N 0.322 114.870 114.554 -0.011 0.000 2.708 436 T HA -0.163 4.106 4.350 -0.134 0.000 0.266 436 T C 2.029 176.688 174.700 -0.068 0.000 1.037 436 T CA 2.029 64.112 62.100 -0.029 0.000 1.146 436 T CB -0.277 68.564 68.868 -0.046 0.000 0.865 436 T HN 0.716 nan 8.240 nan 0.000 0.435 437 S N 0.026 115.641 115.700 -0.142 0.000 2.470 437 S HA 0.340 4.729 4.470 -0.134 0.000 0.222 437 S C 1.985 176.569 174.600 -0.027 0.000 1.024 437 S CA 0.790 58.932 58.200 -0.097 0.000 0.931 437 S CB -0.212 62.847 63.200 -0.236 0.000 0.791 437 S HN 0.729 nan 8.310 nan 0.000 0.513 438 G N 0.716 109.493 108.800 -0.039 0.000 2.155 438 G HA2 -0.247 3.632 3.960 -0.134 0.000 0.257 438 G HA3 -0.247 3.632 3.960 -0.134 0.000 0.257 438 G C 0.144 175.058 174.900 0.024 0.000 0.983 438 G CA 0.430 45.528 45.100 -0.003 0.000 0.676 438 G HN 0.696 nan 8.290 nan 0.000 0.528 439 S N 0.923 116.642 115.700 0.032 0.000 2.690 439 S HA 0.692 5.081 4.470 -0.134 0.000 0.291 439 S C -2.256 172.403 174.600 0.099 0.000 1.138 439 S CA -1.117 57.147 58.200 0.106 0.000 1.013 439 S CB 2.027 65.384 63.200 0.261 0.000 1.053 439 S HN 0.162 nan 8.310 nan 0.000 0.539 440 P HA 0.312 nan 4.420 nan 0.000 0.271 440 P C -1.281 176.114 177.300 0.158 0.000 1.218 440 P CA -0.334 62.833 63.100 0.112 0.000 0.780 440 P CB 0.450 32.206 31.700 0.094 0.000 0.901 441 V N 3.005 122.998 119.914 0.132 0.000 2.680 441 V HA 0.365 4.404 4.120 -0.134 0.000 0.309 441 V C -0.119 176.054 176.094 0.131 0.000 1.052 441 V CA -0.693 61.701 62.300 0.157 0.000 0.908 441 V CB 2.356 34.257 31.823 0.129 0.000 1.001 441 V HN 0.194 nan 8.190 nan 0.000 0.431 442 V N 3.312 123.306 119.914 0.134 0.000 2.384 442 V HA 0.751 4.791 4.120 -0.134 0.000 0.287 442 V C 0.276 176.439 176.094 0.115 0.000 1.020 442 V CA -0.518 61.849 62.300 0.111 0.000 0.850 442 V CB 1.645 33.526 31.823 0.096 0.000 0.987 442 V HN 0.994 nan 8.190 nan 0.000 0.436 443 A N 6.651 129.538 122.820 0.112 0.000 2.256 443 A HA 0.775 5.014 4.320 -0.134 0.000 0.317 443 A C -0.446 177.192 177.584 0.091 0.000 1.318 443 A CA -0.409 51.693 52.037 0.109 0.000 0.894 443 A CB 0.195 19.274 19.000 0.132 0.000 1.165 443 A HN 0.801 nan 8.150 nan 0.000 0.525 444 I N 3.188 123.794 120.570 0.060 0.000 2.291 444 I HA 0.252 4.341 4.170 -0.134 0.000 0.290 444 I C -0.321 175.789 176.117 -0.011 0.000 1.050 444 I CA -0.098 61.216 61.300 0.022 0.000 1.245 444 I CB 0.845 38.807 38.000 -0.062 0.000 1.405 444 I HN 0.556 nan 8.210 nan 0.000 0.478 445 E N 5.183 125.409 120.200 0.043 0.000 2.210 445 E HA 0.361 4.630 4.350 -0.134 0.000 0.266 445 E C 0.046 176.688 176.600 0.071 0.000 0.883 445 E CA -0.543 55.892 56.400 0.059 0.000 0.761 445 E CB 2.382 32.146 29.700 0.107 0.000 1.156 445 E HN 0.692 nan 8.360 nan 0.000 0.412 446 G N 2.001 110.835 108.800 0.058 0.000 2.554 446 G HA2 -0.045 3.834 3.960 -0.134 0.000 0.238 446 G HA3 -0.045 3.834 3.960 -0.134 0.000 0.238 446 G C 0.827 175.776 174.900 0.082 0.000 1.259 446 G CA -0.172 44.987 45.100 0.099 0.000 0.843 446 G HN 0.527 nan 8.290 nan 0.000 0.582 447 D N 0.482 120.919 120.400 0.063 0.000 2.117 447 D HA -0.179 4.380 4.640 -0.134 0.000 0.198 447 D C 2.191 178.532 176.300 0.069 0.000 0.982 447 D CA 1.489 55.464 54.000 -0.041 0.000 0.828 447 D CB -0.658 40.147 40.800 0.009 0.000 0.967 447 D HN 0.351 nan 8.370 nan 0.000 0.464 448 S N 0.408 116.174 115.700 0.111 0.000 2.348 448 S HA -0.084 4.305 4.470 -0.134 0.000 0.221 448 S C 2.220 176.991 174.600 0.284 0.000 1.033 448 S CA 1.844 60.136 58.200 0.154 0.000 1.010 448 S CB -0.669 62.599 63.200 0.114 0.000 0.891 448 S HN 0.432 nan 8.310 nan 0.000 0.442 449 A N 1.024 123.972 122.820 0.212 0.000 1.903 449 A HA -0.129 4.111 4.320 -0.134 0.000 0.219 449 A C 2.031 179.778 177.584 0.271 0.000 1.191 449 A CA 2.048 54.202 52.037 0.195 0.000 0.638 449 A CB -1.378 17.647 19.000 0.041 0.000 0.823 449 A HN 0.710 nan 8.150 nan 0.000 0.451 450 F N 1.313 121.289 119.950 0.044 0.000 2.120 450 F HA -0.101 4.346 4.527 -0.135 0.000 0.300 450 F C 2.270 178.097 175.800 0.045 0.000 1.095 450 F CA 1.547 59.546 58.000 -0.002 0.000 1.249 450 F CB -0.784 38.126 39.000 -0.151 0.000 0.995 450 F HN 0.191 nan 8.300 nan 0.000 0.480 451 G N -0.751 108.042 108.800 -0.012 0.000 2.479 451 G HA2 -0.292 3.587 3.960 -0.134 0.000 0.220 451 G HA3 -0.292 3.587 3.960 -0.134 0.000 0.220 451 G C 1.491 176.231 174.900 -0.266 0.000 1.115 451 G CA 0.819 45.822 45.100 -0.161 0.000 0.757 451 G HN 0.422 nan 8.290 nan 0.000 0.560 452 F N 1.307 121.146 119.950 -0.184 0.000 2.407 452 F HA 0.066 4.513 4.527 -0.134 0.000 0.299 452 F C 2.434 178.107 175.800 -0.212 0.000 1.097 452 F CA 1.310 59.207 58.000 -0.172 0.000 1.422 452 F CB 0.333 39.250 39.000 -0.139 0.000 1.067 452 F HN 0.250 nan 8.300 nan 0.000 0.539 453 S N -1.979 113.649 115.700 -0.119 0.000 2.960 453 S HA 0.277 4.667 4.470 -0.134 0.000 0.256 453 S C 1.672 176.101 174.600 -0.284 0.000 1.017 453 S CA 0.105 58.219 58.200 -0.145 0.000 1.144 453 S CB -0.285 62.892 63.200 -0.040 0.000 1.109 453 S HN 0.188 nan 8.310 nan 0.000 0.638 454 G N 2.158 110.611 108.800 -0.578 0.000 2.470 454 G HA2 -0.060 3.820 3.960 -0.134 0.000 0.220 454 G HA3 -0.060 3.820 3.960 -0.134 0.000 0.220 454 G C 1.303 176.068 174.900 -0.225 0.000 1.121 454 G CA 0.699 45.260 45.100 -0.899 0.000 0.766 454 G HN 0.429 nan 8.290 nan 0.000 0.553 455 M N 0.870 120.407 119.600 -0.104 0.000 2.460 455 M HA 0.027 4.426 4.480 -0.134 0.000 0.263 455 M C 1.908 178.187 176.300 -0.034 0.000 1.071 455 M CA 0.564 55.866 55.300 0.004 0.000 1.096 455 M CB -0.600 32.017 32.600 0.029 0.000 1.408 455 M HN 0.183 nan 8.290 nan 0.000 0.463 456 E N 0.630 120.821 120.200 -0.015 0.000 2.463 456 E HA -0.113 4.156 4.350 -0.134 0.000 0.201 456 E C 1.860 178.449 176.600 -0.019 0.000 1.045 456 E CA 0.596 56.997 56.400 0.003 0.000 0.872 456 E CB -0.700 29.060 29.700 0.100 0.000 0.797 456 E HN 0.730 nan 8.360 nan 0.000 0.538 457 I N -1.084 119.501 120.570 0.025 0.000 2.454 457 I HA -0.160 3.930 4.170 -0.134 0.000 0.254 457 I C 2.246 178.273 176.117 -0.151 0.000 1.156 457 I CA 1.357 62.700 61.300 0.072 0.000 1.433 457 I CB -0.211 37.955 38.000 0.276 0.000 1.082 457 I HN -0.128 nan 8.210 nan 0.000 0.432 458 E N 1.852 121.753 120.200 -0.498 0.000 2.106 458 E HA -0.162 4.107 4.350 -0.134 0.000 0.192 458 E C 2.022 178.366 176.600 -0.427 0.000 0.984 458 E CA 1.942 57.802 56.400 -0.900 0.000 0.806 458 E CB -0.176 28.680 29.700 -1.407 0.000 0.750 458 E HN 0.584 nan 8.360 nan 0.000 0.458 459 T N 1.661 116.050 114.554 -0.276 0.000 2.746 459 T HA -0.103 4.166 4.350 -0.134 0.000 0.267 459 T C 2.094 176.743 174.700 -0.086 0.000 1.039 459 T CA 1.419 63.401 62.100 -0.197 0.000 1.142 459 T CB -0.200 68.535 68.868 -0.222 0.000 0.866 459 T HN 0.175 nan 8.240 nan 0.000 0.444 460 I N 0.775 121.317 120.570 -0.047 0.000 2.163 460 I HA -0.212 3.877 4.170 -0.134 0.000 0.243 460 I C 2.663 178.789 176.117 0.016 0.000 1.085 460 I CA 0.947 62.265 61.300 0.029 0.000 1.347 460 I CB -0.464 37.574 38.000 0.062 0.000 1.044 460 I HN 0.337 nan 8.210 nan 0.000 0.408 461 C N 0.077 119.359 119.300 -0.031 0.000 2.429 461 C HA -0.145 4.234 4.460 -0.134 0.000 0.277 461 C C 2.939 177.878 174.990 -0.085 0.000 1.262 461 C CA 0.724 59.732 59.018 -0.016 0.000 1.733 461 C CB -1.190 26.575 27.740 0.042 0.000 2.010 461 C HN 0.455 nan 8.230 nan 0.000 0.483 462 R N -0.387 119.981 120.500 -0.219 0.000 2.105 462 R HA -0.150 4.109 4.340 -0.134 0.000 0.239 462 R C 1.212 177.229 176.300 -0.471 0.000 1.135 462 R CA 1.811 57.672 56.100 -0.399 0.000 0.967 462 R CB -0.203 29.733 30.300 -0.607 0.000 0.861 462 R HN 0.621 nan 8.270 nan 0.000 0.442 463 Y N -0.260 120.006 120.300 -0.057 0.000 2.485 463 Y HA 0.207 4.676 4.550 -0.135 0.000 0.260 463 Y C 0.214 176.102 175.900 -0.020 0.000 1.173 463 Y CA -0.299 57.774 58.100 -0.044 0.000 1.252 463 Y CB 0.035 38.453 38.460 -0.071 0.000 1.123 463 Y HN 0.136 nan 8.280 nan 0.000 0.524 464 N N 1.000 119.746 118.700 0.076 0.000 2.714 464 N HA -0.212 4.447 4.740 -0.134 0.000 0.253 464 N C -1.216 174.341 175.510 0.078 0.000 1.024 464 N CA 0.323 53.412 53.050 0.064 0.000 0.726 464 N CB -1.277 37.241 38.487 0.051 0.000 0.908 464 N HN 0.362 nan 8.380 nan 0.000 0.542 465 L N 0.453 121.729 121.223 0.088 0.000 2.350 465 L HA 0.416 4.675 4.340 -0.134 0.000 0.275 465 L C -1.372 175.540 176.870 0.071 0.000 1.099 465 L CA -1.748 53.138 54.840 0.078 0.000 0.808 465 L CB 0.917 43.025 42.059 0.080 0.000 1.149 465 L HN 0.115 nan 8.230 nan 0.000 0.442 466 P HA 0.093 nan 4.420 nan 0.000 0.237 466 P C -0.741 176.605 177.300 0.078 0.000 1.788 466 P CA 0.011 63.152 63.100 0.068 0.000 1.061 466 P CB 0.127 31.864 31.700 0.061 0.000 1.967 467 V N 2.386 122.351 119.914 0.086 0.000 2.384 467 V HA 0.291 4.331 4.120 -0.134 0.000 0.287 467 V C 0.557 176.711 176.094 0.101 0.000 1.020 467 V CA -0.144 62.215 62.300 0.098 0.000 0.850 467 V CB 1.834 33.721 31.823 0.107 0.000 0.987 467 V HN 0.202 nan 8.190 nan 0.000 0.436 468 T N 6.588 121.202 114.554 0.099 0.000 2.770 468 T HA 0.597 4.866 4.350 -0.134 0.000 0.297 468 T C -0.154 174.603 174.700 0.096 0.000 0.997 468 T CA -0.023 62.134 62.100 0.096 0.000 0.949 468 T CB 0.431 69.348 68.868 0.082 0.000 0.941 468 T HN 0.390 nan 8.240 nan 0.000 0.457 469 I N 3.598 124.221 120.570 0.088 0.000 2.312 469 I HA 0.313 4.402 4.170 -0.134 0.000 0.290 469 I C -0.240 175.895 176.117 0.029 0.000 1.008 469 I CA -0.748 60.591 61.300 0.064 0.000 1.226 469 I CB 1.237 39.268 38.000 0.052 0.000 1.371 469 I HN 0.273 nan 8.210 nan 0.000 0.468 470 V N 7.946 127.897 119.914 0.062 0.000 2.311 470 V HA 0.377 4.416 4.120 -0.134 0.000 0.275 470 V C 0.196 176.366 176.094 0.127 0.000 1.022 470 V CA -0.416 61.942 62.300 0.097 0.000 0.830 470 V CB 0.852 32.783 31.823 0.179 0.000 1.012 470 V HN 0.490 nan 8.190 nan 0.000 0.452 471 I N 5.011 125.585 120.570 0.007 0.000 2.304 471 I HA 0.330 4.420 4.170 -0.134 0.000 0.291 471 I C -0.364 175.807 176.117 0.090 0.000 1.018 471 I CA -0.266 61.017 61.300 -0.028 0.000 1.260 471 I CB 0.919 38.710 38.000 -0.347 0.000 1.390 471 I HN 0.393 nan 8.210 nan 0.000 0.475 472 F N 5.377 125.283 119.950 -0.072 0.000 2.509 472 F HA 0.128 4.573 4.527 -0.136 0.000 0.350 472 F C 0.931 176.704 175.800 -0.044 0.000 1.220 472 F CA -0.314 57.649 58.000 -0.062 0.000 1.151 472 F CB -0.369 38.622 39.000 -0.015 0.000 1.379 472 F HN 0.414 nan 8.300 nan 0.000 0.610 473 N N 3.612 122.316 118.700 0.008 0.000 2.719 473 N HA -0.016 4.643 4.740 -0.134 0.000 0.243 473 N C 0.594 176.119 175.510 0.024 0.000 1.104 473 N CA -0.072 53.015 53.050 0.062 0.000 0.981 473 N CB -0.048 38.510 38.487 0.117 0.000 1.290 473 N HN 0.443 nan 8.380 nan 0.000 0.513 474 N N 2.227 120.966 118.700 0.064 0.000 2.270 474 N HA 0.085 4.744 4.740 -0.134 0.000 0.198 474 N C 0.875 176.416 175.510 0.052 0.000 1.117 474 N CA 0.419 53.498 53.050 0.049 0.000 0.845 474 N CB -0.132 38.431 38.487 0.128 0.000 0.980 474 N HN 0.437 nan 8.380 nan 0.000 0.486 475 G N -1.492 107.350 108.800 0.069 0.000 2.147 475 G HA2 0.066 3.945 3.960 -0.134 0.000 0.244 475 G HA3 0.066 3.945 3.960 -0.134 0.000 0.244 475 G C 0.265 175.229 174.900 0.106 0.000 1.005 475 G CA 0.290 45.435 45.100 0.075 0.000 0.713 475 G HN 1.008 nan 8.290 nan 0.000 0.515 476 G N -1.482 107.385 108.800 0.111 0.000 2.315 476 G HA2 0.491 4.371 3.960 -0.134 0.000 0.294 476 G HA3 0.491 4.371 3.960 -0.134 0.000 0.294 476 G C -0.762 174.172 174.900 0.058 0.000 1.300 476 G CA -0.498 44.655 45.100 0.088 0.000 0.843 476 G HN 0.791 nan 8.290 nan 0.000 0.527 477 I N 1.865 122.428 120.570 -0.012 0.000 2.363 477 I HA 0.259 4.348 4.170 -0.134 0.000 0.292 477 I C 0.911 176.921 176.117 -0.179 0.000 1.075 477 I CA 0.212 61.392 61.300 -0.201 0.000 1.333 477 I CB -0.230 37.600 38.000 -0.284 0.000 1.415 477 I HN 0.722 nan 8.210 nan 0.000 0.502 478 Y N 3.265 123.616 120.300 0.084 0.000 2.802 478 Y HA -0.354 4.115 4.550 -0.135 0.000 0.485 478 Y C 0.808 176.776 175.900 0.112 0.000 1.190 478 Y CA 0.812 58.955 58.100 0.072 0.000 2.757 478 Y CB -1.217 37.270 38.460 0.045 0.000 0.919 478 Y HN 0.557 nan 8.280 nan 0.000 0.540 479 R N -0.937 119.724 120.500 0.269 0.000 2.764 479 R HA 0.649 4.908 4.340 -0.134 0.000 0.270 479 R C 0.656 177.046 176.300 0.151 0.000 1.014 479 R CA -0.174 56.047 56.100 0.203 0.000 0.904 479 R CB 1.626 32.033 30.300 0.179 0.000 1.236 479 R HN 0.194 nan 8.270 nan 0.000 0.466 480 G N 0.069 108.942 108.800 0.120 0.000 3.519 480 G HA2 -0.019 3.861 3.960 -0.134 0.000 0.269 480 G HA3 -0.019 3.861 3.960 -0.134 0.000 0.269 480 G C -0.066 174.887 174.900 0.089 0.000 1.028 480 G CA -0.207 44.953 45.100 0.100 0.000 0.809 480 G HN 0.655 nan 8.290 nan 0.000 0.521 481 D N 0.524 120.975 120.400 0.085 0.000 2.615 481 D HA 0.221 4.780 4.640 -0.134 0.000 0.236 481 D C 1.064 177.411 176.300 0.079 0.000 1.233 481 D CA -0.635 53.405 54.000 0.066 0.000 0.829 481 D CB 0.132 40.962 40.800 0.051 0.000 1.024 481 D HN 0.086 nan 8.370 nan 0.000 0.490 482 G N 0.081 108.938 108.800 0.096 0.000 2.569 482 G HA2 0.460 4.339 3.960 -0.134 0.000 0.249 482 G HA3 0.460 4.339 3.960 -0.134 0.000 0.249 482 G C 0.055 175.004 174.900 0.081 0.000 1.216 482 G CA -0.198 44.955 45.100 0.087 0.000 0.845 482 G HN 0.415 nan 8.290 nan 0.000 0.568 483 V N -1.008 118.945 119.914 0.065 0.000 2.789 483 V HA 0.545 4.584 4.120 -0.134 0.000 0.311 483 V C -0.758 175.364 176.094 0.046 0.000 1.073 483 V CA -1.383 60.951 62.300 0.057 0.000 0.921 483 V CB 2.037 33.889 31.823 0.048 0.000 1.009 483 V HN 0.619 nan 8.190 nan 0.000 0.426 484 D N 3.127 123.551 120.400 0.040 0.000 2.346 484 D HA 0.205 4.764 4.640 -0.134 0.000 0.260 484 D C 0.969 177.285 176.300 0.027 0.000 1.252 484 D CA 0.107 54.125 54.000 0.030 0.000 0.895 484 D CB 1.112 41.927 40.800 0.025 0.000 1.097 484 D HN 0.663 nan 8.370 nan 0.000 0.489 485 L N 2.966 124.203 121.223 0.025 0.000 2.551 485 L HA -0.112 4.147 4.340 -0.134 0.000 0.228 485 L C 2.216 179.096 176.870 0.018 0.000 1.153 485 L CA 0.696 55.549 54.840 0.022 0.000 0.851 485 L CB -0.357 41.715 42.059 0.021 0.000 0.959 485 L HN 0.398 nan 8.230 nan 0.000 0.451 486 S N -0.926 114.784 115.700 0.016 0.000 2.527 486 S HA 0.073 4.462 4.470 -0.134 0.000 0.222 486 S C 1.705 176.313 174.600 0.013 0.000 0.985 486 S CA 0.483 58.691 58.200 0.013 0.000 0.921 486 S CB 0.216 63.422 63.200 0.011 0.000 0.772 486 S HN 0.518 nan 8.310 nan 0.000 0.529 487 G N 0.799 109.609 108.800 0.016 0.000 2.179 487 G HA2 -0.264 3.615 3.960 -0.134 0.000 0.260 487 G HA3 -0.264 3.615 3.960 -0.134 0.000 0.260 487 G C 0.931 175.840 174.900 0.016 0.000 0.977 487 G CA 0.103 45.213 45.100 0.017 0.000 0.641 487 G HN 1.313 nan 8.290 nan 0.000 0.533 488 A N 0.109 122.937 122.820 0.014 0.000 2.209 488 A HA 0.498 4.737 4.320 -0.134 0.000 0.212 488 A C 2.735 180.328 177.584 0.014 0.000 1.158 488 A CA 1.974 54.018 52.037 0.012 0.000 0.742 488 A CB -0.630 18.375 19.000 0.009 0.000 0.790 488 A HN 2.502 nan 8.150 nan 0.000 0.472 489 G N -2.079 106.732 108.800 0.019 0.000 2.148 489 G HA2 0.051 3.931 3.960 -0.134 0.000 0.254 489 G HA3 0.051 3.931 3.960 -0.134 0.000 0.254 489 G C 0.452 175.362 174.900 0.018 0.000 0.981 489 G CA 0.497 45.611 45.100 0.024 0.000 0.670 489 G HN 1.571 nan 8.290 nan 0.000 0.528 490 A N 0.146 122.973 122.820 0.011 0.000 2.332 490 A HA 0.727 4.966 4.320 -0.134 0.000 0.258 490 A C -1.356 176.229 177.584 0.001 0.000 1.087 490 A CA -0.850 51.187 52.037 0.001 0.000 0.802 490 A CB 0.197 19.196 19.000 -0.001 0.000 1.042 490 A HN 0.187 nan 8.150 nan 0.000 0.489 491 P HA 0.072 nan 4.420 nan 0.000 0.264 491 P C 0.231 177.536 177.300 0.007 0.000 1.183 491 P CA 0.312 63.401 63.100 -0.019 0.000 0.763 491 P CB 0.523 32.194 31.700 -0.048 0.000 0.807 492 S N 4.132 119.849 115.700 0.029 0.000 2.596 492 S HA 0.184 4.573 4.470 -0.134 0.000 0.260 492 S C -1.501 173.116 174.600 0.029 0.000 1.336 492 S CA -0.712 57.510 58.200 0.036 0.000 0.993 492 S CB -0.097 63.135 63.200 0.054 0.000 0.923 492 S HN 0.246 nan 8.310 nan 0.000 0.567 493 P HA -0.012 nan 4.420 nan 0.000 0.222 493 P C 1.166 178.483 177.300 0.027 0.000 1.147 493 P CA 1.324 64.439 63.100 0.024 0.000 0.790 493 P CB -0.207 31.511 31.700 0.029 0.000 0.780 494 T N -6.006 108.576 114.554 0.046 0.000 3.060 494 T HA 0.101 4.371 4.350 -0.134 0.000 0.249 494 T C 0.490 175.218 174.700 0.047 0.000 1.079 494 T CA -0.224 61.903 62.100 0.045 0.000 1.013 494 T CB -0.340 68.584 68.868 0.093 0.000 0.975 494 T HN -0.091 nan 8.240 nan 0.000 0.518 495 D N 1.584 122.014 120.400 0.049 0.000 2.302 495 D HA 0.482 5.041 4.640 -0.134 0.000 0.248 495 D C 0.131 176.449 176.300 0.030 0.000 1.094 495 D CA -0.222 53.812 54.000 0.056 0.000 0.897 495 D CB 1.494 42.327 40.800 0.055 0.000 1.200 495 D HN 0.290 nan 8.370 nan 0.000 0.429 496 L N 0.938 122.190 121.223 0.049 0.000 2.347 496 L HA 0.369 4.628 4.340 -0.134 0.000 0.268 496 L C 0.191 177.060 176.870 -0.001 0.000 1.019 496 L CA -1.298 53.565 54.840 0.038 0.000 0.806 496 L CB 0.589 42.708 42.059 0.099 0.000 1.339 496 L HN 0.169 nan 8.230 nan 0.000 0.463 497 L N 0.514 121.724 121.223 -0.021 0.000 2.540 497 L HA 0.007 4.266 4.340 -0.134 0.000 0.276 497 L C -0.021 176.847 176.870 -0.003 0.000 1.212 497 L CA 0.612 55.408 54.840 -0.074 0.000 0.893 497 L CB -0.180 41.839 42.059 -0.067 0.000 1.138 497 L HN 0.297 nan 8.230 nan 0.000 0.491 498 H N 5.797 124.859 119.070 -0.014 0.000 3.004 498 H HA 0.064 4.539 4.556 -0.135 0.000 0.316 498 H C 0.037 175.367 175.328 0.004 0.000 1.014 498 H CA 0.274 56.297 56.048 -0.041 0.000 1.454 498 H CB 0.014 29.812 29.762 0.061 0.000 1.472 498 H HN 0.624 nan 8.280 nan 0.000 0.571 499 H N -0.454 118.691 119.070 0.125 0.000 2.770 499 H HA -0.173 4.302 4.556 -0.135 0.000 0.309 499 H C 0.320 175.643 175.328 -0.008 0.000 1.206 499 H CA 0.203 56.282 56.048 0.050 0.000 1.147 499 H CB -1.498 28.286 29.762 0.037 0.000 1.422 499 H HN 0.802 nan 8.280 nan 0.000 0.420 500 A N 1.289 124.098 122.820 -0.017 0.000 2.483 500 A HA 0.280 4.519 4.320 -0.134 0.000 0.238 500 A C 1.029 178.511 177.584 -0.170 0.000 1.070 500 A CA 0.044 51.965 52.037 -0.193 0.000 0.770 500 A CB 0.480 19.186 19.000 -0.490 0.000 1.008 500 A HN 0.329 nan 8.150 nan 0.000 0.497 501 R N 2.408 122.792 120.500 -0.193 0.000 2.790 501 R HA 0.174 4.433 4.340 -0.134 0.000 0.274 501 R C -0.548 175.694 176.300 -0.097 0.000 1.334 501 R CA -0.084 55.967 56.100 -0.082 0.000 1.543 501 R CB -0.081 30.197 30.300 -0.036 0.000 1.154 501 R HN 0.863 nan 8.270 nan 0.000 0.601 502 Y N 1.073 121.371 120.300 -0.002 0.000 2.333 502 Y HA -0.251 4.219 4.550 -0.134 0.000 0.290 502 Y C 2.138 178.021 175.900 -0.028 0.000 1.144 502 Y CA 1.671 59.759 58.100 -0.019 0.000 1.228 502 Y CB 0.090 38.478 38.460 -0.120 0.000 0.985 502 Y HN 0.467 nan 8.280 nan 0.000 0.542 503 D N 0.482 120.946 120.400 0.107 0.000 2.182 503 D HA -0.212 4.347 4.640 -0.134 0.000 0.201 503 D C 1.339 177.656 176.300 0.029 0.000 0.986 503 D CA 1.262 55.296 54.000 0.057 0.000 0.847 503 D CB -0.390 40.437 40.800 0.045 0.000 0.942 503 D HN 0.327 nan 8.370 nan 0.000 0.467 504 K N 0.167 120.574 120.400 0.012 0.000 2.362 504 K HA 0.047 4.286 4.320 -0.134 0.000 0.200 504 K C 2.400 178.992 176.600 -0.013 0.000 1.046 504 K CA 0.177 56.454 56.287 -0.017 0.000 0.952 504 K CB -0.038 32.442 32.500 -0.035 0.000 0.753 504 K HN 0.205 nan 8.250 nan 0.000 0.466 505 L N 0.362 121.611 121.223 0.043 0.000 2.079 505 L HA -0.202 4.057 4.340 -0.134 0.000 0.210 505 L C 2.347 179.239 176.870 0.037 0.000 1.081 505 L CA 0.848 55.731 54.840 0.072 0.000 0.752 505 L CB -0.425 41.777 42.059 0.239 0.000 0.896 505 L HN 0.256 nan 8.230 nan 0.000 0.433 506 M N -0.583 119.063 119.600 0.077 0.000 2.358 506 M HA -0.175 4.224 4.480 -0.134 0.000 0.264 506 M C 1.603 177.892 176.300 -0.018 0.000 1.064 506 M CA 1.310 56.666 55.300 0.093 0.000 1.093 506 M CB -1.033 31.619 32.600 0.085 0.000 1.401 506 M HN 0.225 nan 8.290 nan 0.000 0.440 507 D N 0.664 121.016 120.400 -0.080 0.000 2.144 507 D HA -0.087 4.473 4.640 -0.134 0.000 0.199 507 D C 1.961 178.142 176.300 -0.197 0.000 0.984 507 D CA 1.468 55.403 54.000 -0.109 0.000 0.834 507 D CB -0.198 40.544 40.800 -0.096 0.000 0.955 507 D HN 0.332 nan 8.370 nan 0.000 0.465 508 A N 0.019 122.605 122.820 -0.389 0.000 1.978 508 A HA -0.159 4.080 4.320 -0.134 0.000 0.220 508 A C 1.201 178.373 177.584 -0.687 0.000 1.170 508 A CA 1.127 52.743 52.037 -0.701 0.000 0.636 508 A CB -0.495 17.761 19.000 -1.239 0.000 0.810 508 A HN 0.220 nan 8.150 nan 0.000 0.448 509 F N -1.868 118.090 119.950 0.014 0.000 2.735 509 F HA 0.367 4.813 4.527 -0.135 0.000 0.308 509 F C 0.764 176.565 175.800 0.001 0.000 1.112 509 F CA -0.552 57.452 58.000 0.007 0.000 1.235 509 F CB -0.029 38.980 39.000 0.015 0.000 1.027 509 F HN 0.116 nan 8.300 nan 0.000 0.528 510 R N -0.124 120.425 120.500 0.081 0.000 3.651 510 R HA -0.157 4.103 4.340 -0.134 0.000 0.292 510 R C 0.815 177.153 176.300 0.063 0.000 1.161 510 R CA 0.445 56.575 56.100 0.050 0.000 0.787 510 R CB -2.066 28.262 30.300 0.046 0.000 1.249 510 R HN 0.484 nan 8.270 nan 0.000 0.476 511 G N -0.230 108.621 108.800 0.085 0.000 2.532 511 G HA2 0.568 4.448 3.960 -0.134 0.000 0.291 511 G HA3 0.568 4.448 3.960 -0.134 0.000 0.291 511 G C -0.215 174.699 174.900 0.023 0.000 1.349 511 G CA -0.467 44.679 45.100 0.076 0.000 1.038 511 G HN 0.020 nan 8.290 nan 0.000 0.518 512 V N -0.416 119.505 119.914 0.012 0.000 2.513 512 V HA 0.750 4.790 4.120 -0.134 0.000 0.299 512 V C 0.602 176.643 176.094 -0.089 0.000 1.035 512 V CA -0.204 62.054 62.300 -0.071 0.000 0.889 512 V CB 1.454 33.244 31.823 -0.055 0.000 0.988 512 V HN 1.021 nan 8.190 nan 0.000 0.440 513 G N 2.641 111.316 108.800 -0.208 0.000 2.566 513 G HA2 0.689 4.568 3.960 -0.134 0.000 0.311 513 G HA3 0.689 4.568 3.960 -0.134 0.000 0.311 513 G C -1.948 172.752 174.900 -0.333 0.000 1.322 513 G CA -0.350 44.658 45.100 -0.153 0.000 0.969 513 G HN 0.440 nan 8.290 nan 0.000 0.490 514 Y N 0.434 120.746 120.300 0.021 0.000 2.462 514 Y HA 0.480 4.950 4.550 -0.132 0.000 0.346 514 Y C 0.072 175.980 175.900 0.013 0.000 0.976 514 Y CA -1.038 57.075 58.100 0.021 0.000 1.044 514 Y CB 2.777 41.251 38.460 0.023 0.000 1.230 514 Y HN 0.569 nan 8.280 nan 0.000 0.455 515 N N 1.906 120.707 118.700 0.170 0.000 2.392 515 N HA 0.632 5.291 4.740 -0.134 0.000 0.283 515 N C -1.771 173.790 175.510 0.084 0.000 1.003 515 N CA -0.586 52.522 53.050 0.098 0.000 0.892 515 N CB 1.438 39.961 38.487 0.061 0.000 1.193 515 N HN 0.474 nan 8.380 nan 0.000 0.487 516 V N 1.024 120.960 119.914 0.038 0.000 2.709 516 V HA 0.686 4.726 4.120 -0.134 0.000 0.308 516 V C 0.452 176.529 176.094 -0.028 0.000 1.062 516 V CA -0.340 61.963 62.300 0.005 0.000 0.901 516 V CB 1.195 33.008 31.823 -0.018 0.000 1.003 516 V HN 0.813 nan 8.190 nan 0.000 0.425 517 T N -0.614 113.926 114.554 -0.023 0.000 3.004 517 T HA 0.331 4.600 4.350 -0.134 0.000 0.266 517 T C 0.632 175.310 174.700 -0.037 0.000 0.986 517 T CA 0.630 62.711 62.100 -0.031 0.000 0.902 517 T CB -0.017 68.844 68.868 -0.013 0.000 1.118 517 T HN 1.380 nan 8.240 nan 0.000 0.522 518 T N -0.901 113.633 114.554 -0.034 0.000 2.901 518 T HA 0.491 4.760 4.350 -0.134 0.000 0.293 518 T C 1.341 176.023 174.700 -0.029 0.000 1.084 518 T CA 0.132 62.216 62.100 -0.027 0.000 1.008 518 T CB 1.664 70.524 68.868 -0.014 0.000 1.170 518 T HN 0.068 nan 8.240 nan 0.000 0.509 519 T N -1.088 113.456 114.554 -0.017 0.000 2.788 519 T HA -0.100 4.170 4.350 -0.134 0.000 0.268 519 T C 1.238 175.938 174.700 0.000 0.000 1.044 519 T CA 1.383 63.478 62.100 -0.007 0.000 1.139 519 T CB -0.674 68.202 68.868 0.012 0.000 0.867 519 T HN 0.607 nan 8.240 nan 0.000 0.454 520 D N 1.566 121.967 120.400 0.002 0.000 2.097 520 D HA -0.065 4.495 4.640 -0.134 0.000 0.195 520 D C 2.274 178.583 176.300 0.015 0.000 0.989 520 D CA 1.221 55.225 54.000 0.007 0.000 0.827 520 D CB -0.294 40.505 40.800 -0.001 0.000 0.966 520 D HN 0.610 nan 8.370 nan 0.000 0.456 521 E N -0.068 120.134 120.200 0.003 0.000 2.077 521 E HA -0.168 4.101 4.350 -0.134 0.000 0.193 521 E C 2.043 178.640 176.600 -0.005 0.000 0.989 521 E CA 0.369 56.776 56.400 0.011 0.000 0.800 521 E CB -0.072 29.630 29.700 0.004 0.000 0.746 521 E HN 0.093 nan 8.360 nan 0.000 0.452 522 L N 1.422 122.628 121.223 -0.027 0.000 2.017 522 L HA -0.176 4.084 4.340 -0.134 0.000 0.208 522 L C 2.326 179.169 176.870 -0.045 0.000 1.073 522 L CA 1.800 56.610 54.840 -0.051 0.000 0.745 522 L CB -0.448 41.575 42.059 -0.060 0.000 0.894 522 L HN -0.064 nan 8.230 nan 0.000 0.432 523 R N -1.695 118.798 120.500 -0.012 0.000 2.083 523 R HA -0.274 3.985 4.340 -0.134 0.000 0.237 523 R C 2.472 178.757 176.300 -0.026 0.000 1.137 523 R CA 1.909 58.006 56.100 -0.005 0.000 0.951 523 R CB -0.471 29.840 30.300 0.019 0.000 0.851 523 R HN 0.639 nan 8.270 nan 0.000 0.434 524 H N -0.135 118.879 119.070 -0.093 0.000 2.293 524 H HA -0.020 4.456 4.556 -0.134 0.000 0.300 524 H C 1.750 176.941 175.328 -0.229 0.000 1.082 524 H CA 2.236 58.209 56.048 -0.124 0.000 1.308 524 H CB -0.266 29.432 29.762 -0.107 0.000 1.375 524 H HN 0.348 nan 8.280 nan 0.000 0.495 525 A N 0.460 123.044 122.820 -0.393 0.000 1.902 525 A HA -0.124 4.115 4.320 -0.134 0.000 0.217 525 A C 2.406 179.697 177.584 -0.488 0.000 1.181 525 A CA 1.672 53.257 52.037 -0.753 0.000 0.623 525 A CB -0.937 17.700 19.000 -0.605 0.000 0.818 525 A HN 0.480 nan 8.150 nan 0.000 0.443 526 L N -0.365 120.708 121.223 -0.249 0.000 2.056 526 L HA -0.075 4.184 4.340 -0.134 0.000 0.207 526 L C 2.475 179.271 176.870 -0.122 0.000 1.078 526 L CA 2.725 57.490 54.840 -0.125 0.000 0.749 526 L CB -1.072 40.958 42.059 -0.048 0.000 0.901 526 L HN 0.370 nan 8.230 nan 0.000 0.433 527 T N -1.044 113.417 114.554 -0.155 0.000 2.684 527 T HA -0.180 4.089 4.350 -0.134 0.000 0.267 527 T C 1.717 176.323 174.700 -0.156 0.000 1.036 527 T CA 2.044 64.067 62.100 -0.129 0.000 1.148 527 T CB -0.496 68.301 68.868 -0.118 0.000 0.863 527 T HN 0.426 nan 8.240 nan 0.000 0.436 528 T N 1.059 115.439 114.554 -0.291 0.000 2.777 528 T HA -0.015 4.255 4.350 -0.134 0.000 0.266 528 T C 2.251 176.904 174.700 -0.079 0.000 1.040 528 T CA 1.253 63.216 62.100 -0.228 0.000 1.141 528 T CB -0.876 67.758 68.868 -0.391 0.000 0.868 528 T HN 0.512 nan 8.240 nan 0.000 0.444 529 G N 1.545 110.300 108.800 -0.075 0.000 2.459 529 G HA2 -0.174 3.706 3.960 -0.134 0.000 0.217 529 G HA3 -0.174 3.706 3.960 -0.134 0.000 0.217 529 G C 1.523 176.442 174.900 0.032 0.000 1.183 529 G CA 0.750 45.873 45.100 0.038 0.000 0.776 529 G HN 0.491 nan 8.290 nan 0.000 0.552 530 I N 0.296 120.871 120.570 0.008 0.000 2.127 530 I HA -0.250 3.839 4.170 -0.134 0.000 0.241 530 I C 3.059 179.190 176.117 0.022 0.000 1.075 530 I CA 1.480 62.794 61.300 0.024 0.000 1.334 530 I CB -0.415 37.597 38.000 0.019 0.000 1.040 530 I HN 0.227 nan 8.210 nan 0.000 0.405 531 Q N 0.404 120.206 119.800 0.004 0.000 2.135 531 Q HA -0.205 4.055 4.340 -0.134 0.000 0.204 531 Q C 2.385 178.398 176.000 0.022 0.000 0.981 531 Q CA 2.063 57.871 55.803 0.009 0.000 0.856 531 Q CB -0.233 28.501 28.738 -0.006 0.000 0.902 531 Q HN 0.639 nan 8.270 nan 0.000 0.425 532 S N 0.195 115.913 115.700 0.029 0.000 2.447 532 S HA -0.117 4.272 4.470 -0.134 0.000 0.233 532 S C 0.826 175.454 174.600 0.046 0.000 1.006 532 S CA 0.572 58.797 58.200 0.043 0.000 0.957 532 S CB -0.125 63.112 63.200 0.063 0.000 0.773 532 S HN 0.348 nan 8.310 nan 0.000 0.507 533 R N 0.401 120.930 120.500 0.048 0.000 3.932 533 R HA -0.141 4.118 4.340 -0.134 0.000 0.318 533 R C -0.744 175.591 176.300 0.058 0.000 1.219 533 R CA 1.247 57.379 56.100 0.052 0.000 0.889 533 R CB -1.923 28.404 30.300 0.046 0.000 1.309 533 R HN 0.568 nan 8.270 nan 0.000 0.537 534 K N 1.082 121.520 120.400 0.064 0.000 2.143 534 K HA 0.285 4.525 4.320 -0.134 0.000 0.272 534 K C -2.391 174.256 176.600 0.078 0.000 1.001 534 K CA -2.075 54.252 56.287 0.067 0.000 0.915 534 K CB 0.872 33.411 32.500 0.065 0.000 1.047 534 K HN -0.247 nan 8.250 nan 0.000 0.458 535 P HA -0.044 nan 4.420 nan 0.000 0.260 535 P C -1.090 176.268 177.300 0.097 0.000 1.185 535 P CA 0.519 63.674 63.100 0.091 0.000 0.763 535 P CB 0.453 32.208 31.700 0.090 0.000 0.776 536 T N 4.360 118.979 114.554 0.109 0.000 2.916 536 T HA 0.546 4.815 4.350 -0.134 0.000 0.298 536 T C -0.227 174.541 174.700 0.113 0.000 1.031 536 T CA -0.382 61.789 62.100 0.119 0.000 0.993 536 T CB 0.935 69.900 68.868 0.162 0.000 1.045 536 T HN 0.128 nan 8.240 nan 0.000 0.454 537 I N 3.080 123.710 120.570 0.100 0.000 2.378 537 I HA 0.486 4.576 4.170 -0.134 0.000 0.291 537 I C -0.588 175.590 176.117 0.102 0.000 0.992 537 I CA -0.868 60.470 61.300 0.063 0.000 1.154 537 I CB 1.537 39.550 38.000 0.023 0.000 1.315 537 I HN 0.469 nan 8.210 nan 0.000 0.448 538 I N 6.212 126.832 120.570 0.082 0.000 2.330 538 I HA 0.222 4.311 4.170 -0.134 0.000 0.289 538 I C 0.083 176.216 176.117 0.027 0.000 1.001 538 I CA -0.403 60.954 61.300 0.096 0.000 1.193 538 I CB 1.035 39.078 38.000 0.072 0.000 1.345 538 I HN 0.566 nan 8.210 nan 0.000 0.461 539 N N 7.040 125.767 118.700 0.046 0.000 2.420 539 N HA 0.214 4.874 4.740 -0.134 0.000 0.249 539 N C -1.134 174.365 175.510 -0.018 0.000 1.033 539 N CA -0.271 52.799 53.050 0.032 0.000 0.944 539 N CB 1.297 39.838 38.487 0.089 0.000 1.113 539 N HN 0.271 nan 8.380 nan 0.000 0.502 540 V N 4.273 124.125 119.914 -0.103 0.000 2.350 540 V HA 0.177 4.216 4.120 -0.134 0.000 0.276 540 V C 0.449 176.429 176.094 -0.190 0.000 1.028 540 V CA -0.860 61.308 62.300 -0.221 0.000 0.860 540 V CB 1.362 32.871 31.823 -0.524 0.000 0.990 540 V HN 0.336 nan 8.190 nan 0.000 0.453 541 V N 6.823 126.666 119.914 -0.117 0.000 2.415 541 V HA 0.222 4.261 4.120 -0.134 0.000 0.267 541 V C 0.246 176.260 176.094 -0.134 0.000 1.042 541 V CA 0.106 62.366 62.300 -0.066 0.000 1.000 541 V CB 0.255 32.090 31.823 0.019 0.000 1.015 541 V HN 0.537 nan 8.190 nan 0.000 0.478 542 I N 3.434 123.911 120.570 -0.156 0.000 2.412 542 I HA 0.310 4.399 4.170 -0.134 0.000 0.296 542 I C 0.410 176.469 176.117 -0.097 0.000 0.987 542 I CA -0.616 60.562 61.300 -0.203 0.000 1.180 542 I CB 1.603 39.402 38.000 -0.336 0.000 1.340 542 I HN 0.539 nan 8.210 nan 0.000 0.455 543 D N 8.716 129.078 120.400 -0.063 0.000 2.581 543 D HA -0.023 4.536 4.640 -0.134 0.000 0.238 543 D C -1.437 174.881 176.300 0.030 0.000 1.145 543 D CA -0.930 53.071 54.000 0.002 0.000 0.866 543 D CB 1.299 42.118 40.800 0.033 0.000 1.151 543 D HN 0.265 nan 8.370 nan 0.000 0.500 544 P HA -0.090 nan 4.420 nan 0.000 0.225 544 P C 0.538 177.894 177.300 0.094 0.000 1.148 544 P CA 0.721 63.852 63.100 0.052 0.000 0.779 544 P CB 0.241 31.946 31.700 0.008 0.000 0.780 545 A N -0.617 122.257 122.820 0.090 0.000 2.308 545 A HA 0.455 4.694 4.320 -0.134 0.000 0.217 545 A C 2.199 179.868 177.584 0.141 0.000 1.216 545 A CA 0.668 52.766 52.037 0.102 0.000 0.864 545 A CB -0.678 18.367 19.000 0.074 0.000 0.902 545 A HN 0.160 nan 8.150 nan 0.000 0.499 546 A N 0.340 123.270 122.820 0.184 0.000 1.930 546 A HA 0.334 4.573 4.320 -0.134 0.000 0.217 546 A C 1.630 179.413 177.584 0.332 0.000 1.175 546 A CA 1.121 53.317 52.037 0.266 0.000 0.627 546 A CB -0.990 18.184 19.000 0.290 0.000 0.815 546 A HN 0.692 nan 8.150 nan 0.000 0.443 547 G N -0.603 108.417 108.800 0.366 0.000 2.569 547 G HA2 0.427 4.306 3.960 -0.134 0.000 0.249 547 G HA3 0.427 4.306 3.960 -0.134 0.000 0.249 547 G C 0.193 175.164 174.900 0.118 0.000 1.216 547 G CA 0.475 45.712 45.100 0.229 0.000 0.845 547 G HN 0.630 nan 8.290 nan 0.000 0.568 548 T N -1.837 112.735 114.554 0.031 0.000 2.925 548 T HA 0.559 4.828 4.350 -0.134 0.000 0.285 548 T C -0.302 174.328 174.700 -0.116 0.000 1.021 548 T CA -0.786 61.305 62.100 -0.016 0.000 1.042 548 T CB 2.196 71.047 68.868 -0.028 0.000 1.037 548 T HN 0.546 nan 8.240 nan 0.000 0.481 549 E N 1.814 121.881 120.200 -0.223 0.000 2.146 549 E HA 0.428 4.698 4.350 -0.134 0.000 0.282 549 E C 0.222 176.504 176.600 -0.530 0.000 0.989 549 E CA -0.790 55.235 56.400 -0.625 0.000 0.799 549 E CB 0.860 30.305 29.700 -0.424 0.000 1.088 549 E HN 0.813 nan 8.360 nan 0.000 0.397 550 S N 0.000 115.291 115.700 -0.682 0.000 2.498 550 S HA 0.000 4.389 4.470 -0.134 0.000 0.327 550 S CA 0.000 58.002 58.200 -0.330 0.000 1.107 550 S CB 0.000 63.093 63.200 -0.178 0.000 0.593 550 S HN 0.000 nan 8.310 nan 0.000 0.517