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 1ve6_1_A DATA FIRST_RESID 8 DATA SEQUENCE EFSRIVRDVE RLIAVEKYSL QGVVDGDKLL VVGFSEGSVN AYLYDGGETV DATA SEQUENCE KLNREPINSV LDPHYGVGRV ILVRDVSKGA EQHALFKVNT SRPGEEQRLE DATA SEQUENCE AVKPMRILSG VDTGEAVVFT GATEDRVALY ALDGGGLREL ARLPGFGFVS DATA SEQUENCE DIRGDLIAGL GFFGGGRVSL FTSNLSSGGL RVFDSGEGSF SSASISPGMK DATA SEQUENCE VTAGLETARE ARLVTVDPRD GSVEDLELPS KDFSSYRPTA ITWLGYLPDG DATA SEQUENCE RLAVVARREG RSAVFIDGER VEAPQGNHGR VVLWRGKLVT SHTSLSTPPR DATA SEQUENCE IVSLPSGEPL LEGGLPEDLR RSIAGSRLVW VESFDGSRVP TYVLESGRAP DATA SEQUENCE TPGPTVVLVH GGPFAEDSDS WDTFAASLAA AGFHVVMPNY RGSTGYGEEW DATA SEQUENCE RLKIIGDPcG GELEDVSAAA RWARESGLAS ELYIMGYSYG GYMTLcALTM DATA SEQUENCE KPGLFKAGVA GASVVDWEEM YELSDAAFRN FIEQLTGGSR EIMRSRSPIN DATA SEQUENCE HVDRIKEPLA LIHPQNDSRT PLKPLLRLMG ELLARGKTFE AHIIPDAGHA DATA SEQUENCE INTMEDAVKI LLPAVFFLAT QRER 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.481 176.600 -0.199 0.000 1.382 8 E CA 0.000 56.013 56.400 -0.645 0.000 0.976 8 E CB 0.000 29.599 29.700 -0.168 0.000 0.812 9 F N 3.081 122.923 119.950 -0.180 0.000 2.259 9 F HA -0.171 4.356 4.527 -0.000 0.000 0.429 9 F C 1.726 177.577 175.800 0.085 0.000 0.880 9 F CA 1.359 59.351 58.000 -0.014 0.000 1.107 9 F CB -0.033 38.988 39.000 0.034 0.000 0.851 9 F HN 0.223 nan 8.300 nan 0.000 0.536 10 S N 2.506 118.311 115.700 0.174 0.000 2.489 10 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 10 S C 1.955 176.664 174.600 0.181 0.000 0.995 10 S CA 0.585 58.880 58.200 0.159 0.000 0.934 10 S CB -0.248 62.994 63.200 0.071 0.000 0.771 10 S HN 0.754 nan 8.310 nan 0.000 0.522 11 R N 1.293 121.931 120.500 0.231 0.000 2.062 11 R HA 0.122 4.462 4.340 -0.000 0.000 0.229 11 R C 2.126 178.541 176.300 0.190 0.000 1.128 11 R CA 1.287 57.509 56.100 0.202 0.000 0.960 11 R CB -0.419 30.032 30.300 0.252 0.000 0.855 11 R HN 0.421 nan 8.270 nan 0.000 0.432 12 I N 0.485 121.210 120.570 0.258 0.000 2.127 12 I HA -0.306 3.864 4.170 -0.000 0.000 0.241 12 I C 2.220 178.427 176.117 0.150 0.000 1.075 12 I CA 1.327 62.753 61.300 0.210 0.000 1.334 12 I CB -0.204 38.001 38.000 0.341 0.000 1.040 12 I HN 0.064 nan 8.210 nan 0.000 0.405 13 V N 1.675 121.711 119.914 0.204 0.000 2.287 13 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 13 V C 2.569 178.694 176.094 0.051 0.000 1.053 13 V CA 2.554 64.909 62.300 0.092 0.000 1.027 13 V CB -1.126 30.792 31.823 0.158 0.000 0.646 13 V HN 0.533 nan 8.190 nan 0.000 0.447 14 R N 0.687 121.231 120.500 0.074 0.000 2.081 14 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 14 R C 1.837 178.158 176.300 0.035 0.000 1.131 14 R CA 2.021 58.149 56.100 0.046 0.000 0.960 14 R CB -0.822 29.509 30.300 0.052 0.000 0.856 14 R HN 0.389 nan 8.270 nan 0.000 0.436 15 D N 0.733 121.162 120.400 0.047 0.000 2.097 15 D HA -0.084 4.555 4.640 -0.000 0.000 0.197 15 D C 2.125 178.439 176.300 0.023 0.000 0.984 15 D CA 1.254 55.279 54.000 0.042 0.000 0.826 15 D CB -0.179 40.653 40.800 0.053 0.000 0.973 15 D HN 0.081 nan 8.370 nan 0.000 0.460 16 V N 1.248 121.163 119.914 0.001 0.000 2.287 16 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 16 V C 2.345 178.415 176.094 -0.039 0.000 1.053 16 V CA 1.672 63.948 62.300 -0.040 0.000 1.027 16 V CB -0.382 31.385 31.823 -0.094 0.000 0.646 16 V HN 0.205 nan 8.190 nan 0.000 0.447 17 E N -0.247 119.934 120.200 -0.033 0.000 2.051 17 E HA -0.237 4.113 4.350 -0.000 0.000 0.192 17 E C 2.483 179.067 176.600 -0.026 0.000 0.991 17 E CA 1.359 57.737 56.400 -0.035 0.000 0.799 17 E CB -0.170 29.514 29.700 -0.027 0.000 0.748 17 E HN 0.532 nan 8.360 nan 0.000 0.449 18 R N 0.360 120.855 120.500 -0.008 0.000 2.096 18 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 18 R C 2.465 178.771 176.300 0.009 0.000 1.127 18 R CA 0.901 56.998 56.100 -0.004 0.000 0.968 18 R CB -0.259 30.047 30.300 0.010 0.000 0.861 18 R HN 0.176 nan 8.270 nan 0.000 0.440 19 L N 0.192 121.441 121.223 0.043 0.000 2.093 19 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 19 L C 2.278 179.208 176.870 0.100 0.000 1.085 19 L CA 1.168 56.077 54.840 0.115 0.000 0.755 19 L CB -0.252 41.900 42.059 0.154 0.000 0.904 19 L HN 0.189 nan 8.230 nan 0.000 0.435 20 I N -0.332 120.262 120.570 0.040 0.000 2.353 20 I HA -0.209 3.960 4.170 -0.000 0.000 0.248 20 I C 2.684 178.792 176.117 -0.015 0.000 1.119 20 I CA 0.941 62.271 61.300 0.050 0.000 1.417 20 I CB -0.329 37.675 38.000 0.007 0.000 1.078 20 I HN 0.164 nan 8.210 nan 0.000 0.421 21 A N 0.462 123.239 122.820 -0.072 0.000 2.070 21 A HA -0.026 4.293 4.320 -0.000 0.000 0.220 21 A C 1.294 178.790 177.584 -0.146 0.000 1.159 21 A CA 0.458 52.412 52.037 -0.138 0.000 0.656 21 A CB -0.720 18.218 19.000 -0.103 0.000 0.800 21 A HN 0.163 nan 8.150 nan 0.000 0.453 22 V N 1.774 121.622 119.914 -0.109 0.000 2.617 22 V HA -0.035 4.085 4.120 -0.000 0.000 0.304 22 V C 0.468 176.451 176.094 -0.185 0.000 1.040 22 V CA 0.035 62.246 62.300 -0.149 0.000 1.149 22 V CB 0.090 31.794 31.823 -0.200 0.000 0.914 22 V HN 0.557 nan 8.190 nan 0.000 0.487 23 E N 4.248 124.328 120.200 -0.200 0.000 2.392 23 E HA 0.286 4.636 4.350 -0.000 0.000 0.264 23 E C -0.454 175.925 176.600 -0.368 0.000 1.024 23 E CA -0.040 56.181 56.400 -0.298 0.000 0.903 23 E CB 0.642 30.196 29.700 -0.244 0.000 0.963 23 E HN 0.558 nan 8.360 nan 0.000 0.432 24 K N 2.517 122.619 120.400 -0.496 0.000 2.443 24 K HA 0.380 4.700 4.320 -0.000 0.000 0.252 24 K C -1.459 174.794 176.600 -0.577 0.000 0.933 24 K CA -0.640 55.413 56.287 -0.390 0.000 0.792 24 K CB 1.391 33.794 32.500 -0.163 0.000 1.185 24 K HN 0.362 nan 8.250 nan 0.000 0.425 25 Y N 0.124 120.376 120.300 -0.080 0.000 2.485 25 Y HA 0.411 4.961 4.550 -0.000 0.000 0.345 25 Y C 0.199 176.051 175.900 -0.080 0.000 0.998 25 Y CA -0.863 57.193 58.100 -0.074 0.000 1.059 25 Y CB 2.385 40.768 38.460 -0.128 0.000 1.234 25 Y HN 0.579 nan 8.280 nan 0.000 0.461 26 S N 2.040 117.797 115.700 0.095 0.000 2.526 26 S HA 0.651 5.121 4.470 -0.000 0.000 0.293 26 S C -1.539 173.057 174.600 -0.007 0.000 1.092 26 S CA -0.830 57.377 58.200 0.013 0.000 0.980 26 S CB 1.752 64.946 63.200 -0.010 0.000 1.048 26 S HN 0.588 nan 8.310 nan 0.000 0.483 27 L N 2.678 123.859 121.223 -0.069 0.000 2.276 27 L HA 0.507 4.847 4.340 -0.000 0.000 0.286 27 L C 0.741 177.543 176.870 -0.113 0.000 1.061 27 L CA 0.253 55.026 54.840 -0.111 0.000 0.807 27 L CB 0.872 42.835 42.059 -0.160 0.000 1.177 27 L HN 0.806 nan 8.230 nan 0.000 0.429 28 Q N 3.888 123.635 119.800 -0.089 0.000 2.423 28 Q HA 0.494 4.834 4.340 -0.000 0.000 0.231 28 Q C 0.639 176.584 176.000 -0.091 0.000 0.894 28 Q CA 0.687 56.450 55.803 -0.068 0.000 0.938 28 Q CB 1.082 29.805 28.738 -0.026 0.000 1.079 28 Q HN 0.916 nan 8.270 nan 0.000 0.552 29 G N -0.546 108.176 108.800 -0.130 0.000 2.351 29 G HA2 0.252 4.212 3.960 -0.000 0.000 0.279 29 G HA3 0.252 4.212 3.960 -0.000 0.000 0.279 29 G C -1.790 172.988 174.900 -0.203 0.000 1.297 29 G CA -0.524 44.454 45.100 -0.203 0.000 0.886 29 G HN -0.102 nan 8.290 nan 0.000 0.493 30 V N 0.153 119.898 119.914 -0.282 0.000 2.487 30 V HA 0.775 4.895 4.120 -0.000 0.000 0.298 30 V C -0.044 176.033 176.094 -0.029 0.000 1.028 30 V CA -0.468 61.768 62.300 -0.107 0.000 0.860 30 V CB 1.116 32.931 31.823 -0.012 0.000 0.991 30 V HN 0.806 nan 8.190 nan 0.000 0.427 31 V N 2.341 122.280 119.914 0.041 0.000 3.105 31 V HA 0.555 4.675 4.120 -0.000 0.000 0.311 31 V C 0.086 176.235 176.094 0.091 0.000 1.287 31 V CA -0.649 61.689 62.300 0.064 0.000 1.066 31 V CB 1.966 33.814 31.823 0.041 0.000 1.105 31 V HN 0.932 nan 8.190 nan 0.000 0.462 32 D N 0.422 120.871 120.400 0.081 0.000 2.686 32 D HA -0.076 4.564 4.640 -0.000 0.000 0.235 32 D C 0.846 177.202 176.300 0.094 0.000 1.160 32 D CA 2.245 56.292 54.000 0.078 0.000 0.645 32 D CB -1.000 39.841 40.800 0.069 0.000 1.039 32 D HN 1.542 nan 8.370 nan 0.000 0.423 33 G N 0.474 109.337 108.800 0.105 0.000 4.951 33 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.295 33 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.295 33 G C 0.207 175.199 174.900 0.152 0.000 1.540 33 G CA 0.311 45.478 45.100 0.112 0.000 1.044 33 G HN 0.569 nan 8.290 nan 0.000 0.731 34 D N 1.748 122.250 120.400 0.169 0.000 2.879 34 D HA 0.401 5.041 4.640 -0.000 0.000 0.351 34 D C -0.255 176.293 176.300 0.413 0.000 1.239 34 D CA -0.038 54.115 54.000 0.254 0.000 0.771 34 D CB -0.029 40.856 40.800 0.142 0.000 1.176 34 D HN 0.497 nan 8.370 nan 0.000 0.496 35 K N 0.506 121.095 120.400 0.316 0.000 2.316 35 K HA 0.482 4.802 4.320 -0.000 0.000 0.251 35 K C -0.050 176.593 176.600 0.072 0.000 0.934 35 K CA -0.873 55.576 56.287 0.270 0.000 0.802 35 K CB 2.693 35.283 32.500 0.150 0.000 1.171 35 K HN 0.021 nan 8.250 nan 0.000 0.426 36 L N 3.063 124.187 121.223 -0.164 0.000 2.380 36 L HA 0.189 4.528 4.340 -0.000 0.000 0.273 36 L C -0.294 176.519 176.870 -0.095 0.000 1.138 36 L CA -0.619 54.063 54.840 -0.264 0.000 0.832 36 L CB 0.287 42.050 42.059 -0.493 0.000 1.124 36 L HN 0.345 nan 8.230 nan 0.000 0.454 37 L N 6.098 127.272 121.223 -0.081 0.000 2.287 37 L HA 0.595 4.934 4.340 -0.000 0.000 0.287 37 L C -0.362 176.492 176.870 -0.026 0.000 1.022 37 L CA -0.257 54.569 54.840 -0.023 0.000 0.814 37 L CB 1.526 43.573 42.059 -0.019 0.000 1.217 37 L HN 0.353 nan 8.230 nan 0.000 0.420 38 V N 3.320 123.258 119.914 0.039 0.000 2.962 38 V HA 0.767 4.886 4.120 -0.000 0.000 0.313 38 V C -0.956 175.242 176.094 0.173 0.000 1.099 38 V CA -0.743 61.600 62.300 0.072 0.000 0.971 38 V CB 1.957 33.810 31.823 0.049 0.000 1.028 38 V HN 0.448 nan 8.190 nan 0.000 0.430 39 V N 2.743 122.750 119.914 0.155 0.000 2.417 39 V HA 0.875 4.995 4.120 -0.000 0.000 0.291 39 V C 0.761 176.986 176.094 0.219 0.000 1.024 39 V CA 0.489 62.884 62.300 0.157 0.000 0.861 39 V CB 1.367 33.228 31.823 0.064 0.000 0.985 39 V HN 1.347 nan 8.190 nan 0.000 0.436 40 G N 3.020 112.006 108.800 0.310 0.000 2.542 40 G HA2 0.573 4.533 3.960 -0.000 0.000 0.311 40 G HA3 0.573 4.533 3.960 -0.000 0.000 0.311 40 G C -1.433 173.541 174.900 0.124 0.000 1.298 40 G CA -0.503 44.663 45.100 0.110 0.000 0.973 40 G HN 0.435 nan 8.290 nan 0.000 0.487 41 F N 2.969 122.777 119.950 -0.237 0.000 2.377 41 F HA 0.681 5.208 4.527 -0.000 0.000 0.360 41 F C 0.288 175.960 175.800 -0.212 0.000 1.147 41 F CA -1.043 56.858 58.000 -0.166 0.000 1.170 41 F CB 0.788 39.683 39.000 -0.175 0.000 1.339 41 F HN 0.409 nan 8.300 nan 0.000 0.552 42 S N 3.570 119.151 115.700 -0.199 0.000 2.570 42 S HA 0.420 4.890 4.470 -0.000 0.000 0.270 42 S C -0.535 173.982 174.600 -0.138 0.000 1.149 42 S CA -0.496 57.578 58.200 -0.210 0.000 0.837 42 S CB 1.087 64.212 63.200 -0.126 0.000 1.124 42 S HN 0.591 nan 8.310 nan 0.000 0.465 43 E N 0.975 121.093 120.200 -0.136 0.000 2.440 43 E HA -0.215 4.135 4.350 -0.000 0.000 0.246 43 E C 0.778 177.300 176.600 -0.130 0.000 1.165 43 E CA 1.087 57.434 56.400 -0.088 0.000 0.726 43 E CB -1.716 27.987 29.700 0.005 0.000 1.271 43 E HN 1.589 nan 8.360 nan 0.000 0.397 44 G N -1.199 107.457 108.800 -0.240 0.000 2.195 44 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.246 44 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.246 44 G C 0.250 174.998 174.900 -0.252 0.000 0.984 44 G CA 0.544 45.498 45.100 -0.244 0.000 0.633 44 G HN 1.295 nan 8.290 nan 0.000 0.525 45 S N -2.484 113.070 115.700 -0.243 0.000 2.683 45 S HA 0.637 5.107 4.470 -0.000 0.000 0.269 45 S C -0.807 173.863 174.600 0.117 0.000 1.165 45 S CA -0.209 57.969 58.200 -0.037 0.000 0.840 45 S CB 1.834 65.040 63.200 0.009 0.000 1.169 45 S HN 1.240 nan 8.310 nan 0.000 0.490 46 V N 2.800 122.859 119.914 0.241 0.000 2.408 46 V HA 0.485 4.604 4.120 -0.000 0.000 0.267 46 V C -0.330 175.795 176.094 0.052 0.000 1.047 46 V CA -0.239 62.183 62.300 0.203 0.000 0.937 46 V CB -0.003 31.901 31.823 0.136 0.000 0.999 46 V HN 0.737 nan 8.190 nan 0.000 0.472 47 N N 2.645 121.358 118.700 0.022 0.000 2.509 47 N HA 0.779 5.519 4.740 -0.000 0.000 0.280 47 N C -0.684 174.669 175.510 -0.262 0.000 1.306 47 N CA -0.509 52.426 53.050 -0.192 0.000 0.782 47 N CB 2.455 40.717 38.487 -0.375 0.000 1.493 47 N HN 0.642 nan 8.380 nan 0.000 0.498 48 A N 0.722 123.293 122.820 -0.415 0.000 2.330 48 A HA 0.753 5.073 4.320 -0.000 0.000 0.327 48 A C -1.579 175.753 177.584 -0.420 0.000 1.155 48 A CA -0.351 51.535 52.037 -0.251 0.000 0.803 48 A CB 0.385 19.310 19.000 -0.125 0.000 1.208 48 A HN 0.596 nan 8.150 nan 0.000 0.477 49 Y N 0.442 120.764 120.300 0.037 0.000 2.576 49 Y HA 0.618 5.168 4.550 -0.000 0.000 0.346 49 Y C -0.220 175.696 175.900 0.027 0.000 1.018 49 Y CA -0.861 57.263 58.100 0.039 0.000 1.050 49 Y CB 1.858 40.358 38.460 0.067 0.000 1.280 49 Y HN 0.534 nan 8.280 nan 0.000 0.474 50 L N 1.905 123.252 121.223 0.207 0.000 2.325 50 L HA 0.460 4.800 4.340 -0.000 0.000 0.278 50 L C -1.435 175.516 176.870 0.134 0.000 1.023 50 L CA -0.970 53.941 54.840 0.120 0.000 0.811 50 L CB 1.667 43.774 42.059 0.080 0.000 1.249 50 L HN 0.635 nan 8.230 nan 0.000 0.431 51 Y N 1.881 122.135 120.300 -0.077 0.000 2.361 51 Y HA 0.319 4.869 4.550 -0.000 0.000 0.337 51 Y C -0.734 175.109 175.900 -0.095 0.000 0.965 51 Y CA -0.621 57.397 58.100 -0.136 0.000 1.091 51 Y CB 1.725 40.015 38.460 -0.285 0.000 1.182 51 Y HN 0.534 nan 8.280 nan 0.000 0.450 52 D N 3.633 123.707 120.400 -0.543 0.000 2.908 52 D HA 0.318 4.958 4.640 -0.000 0.000 0.361 52 D C 0.861 177.042 176.300 -0.199 0.000 1.416 52 D CA 0.741 54.670 54.000 -0.118 0.000 0.796 52 D CB 0.034 40.864 40.800 0.051 0.000 1.185 52 D HN 0.955 nan 8.370 nan 0.000 0.451 53 G N -1.011 107.318 108.800 -0.785 0.000 2.213 53 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.226 53 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.226 53 G C 0.807 175.539 174.900 -0.279 0.000 0.992 53 G CA 0.122 45.048 45.100 -0.291 0.000 0.632 53 G HN 0.728 nan 8.290 nan 0.000 0.511 54 G N 0.142 108.696 108.800 -0.410 0.000 3.193 54 G HA2 0.558 4.518 3.960 -0.000 0.000 0.186 54 G HA3 0.558 4.518 3.960 -0.000 0.000 0.186 54 G C 0.056 174.896 174.900 -0.100 0.000 1.536 54 G CA 0.515 45.526 45.100 -0.148 0.000 0.943 54 G HN 0.973 nan 8.290 nan 0.000 0.781 55 E N 0.447 120.602 120.200 -0.074 0.000 2.383 55 E HA 0.450 4.799 4.350 -0.000 0.000 0.264 55 E C -0.836 175.751 176.600 -0.023 0.000 1.050 55 E CA -0.134 56.249 56.400 -0.028 0.000 0.896 55 E CB 1.121 30.812 29.700 -0.015 0.000 0.982 55 E HN 0.078 nan 8.360 nan 0.000 0.424 56 T N 1.520 116.085 114.554 0.018 0.000 2.882 56 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 56 T C -0.859 173.913 174.700 0.120 0.000 0.992 56 T CA -0.623 61.511 62.100 0.057 0.000 1.076 56 T CB 0.910 69.740 68.868 -0.065 0.000 0.961 56 T HN 0.335 nan 8.240 nan 0.000 0.490 57 V N 5.660 125.682 119.914 0.180 0.000 2.378 57 V HA 0.409 4.529 4.120 -0.000 0.000 0.288 57 V C 0.222 176.450 176.094 0.225 0.000 1.016 57 V CA -0.964 61.438 62.300 0.169 0.000 0.840 57 V CB 1.538 33.413 31.823 0.087 0.000 0.994 57 V HN 0.779 nan 8.190 nan 0.000 0.431 58 K N 3.567 124.080 120.400 0.187 0.000 2.379 58 K HA 0.332 4.652 4.320 -0.000 0.000 0.284 58 K C 0.503 177.055 176.600 -0.081 0.000 1.044 58 K CA -0.171 56.088 56.287 -0.046 0.000 0.974 58 K CB 0.762 33.225 32.500 -0.061 0.000 0.962 58 K HN 0.623 nan 8.250 nan 0.000 0.474 59 L N 2.994 124.127 121.223 -0.150 0.000 2.253 59 L HA -0.015 4.325 4.340 -0.000 0.000 0.205 59 L C 1.021 177.832 176.870 -0.098 0.000 1.078 59 L CA 0.041 54.829 54.840 -0.087 0.000 0.805 59 L CB -0.262 41.756 42.059 -0.068 0.000 0.963 59 L HN 0.723 nan 8.230 nan 0.000 0.459 60 N N -0.481 118.128 118.700 -0.153 0.000 2.458 60 N HA 0.185 4.925 4.740 -0.000 0.000 0.271 60 N C 0.260 175.688 175.510 -0.137 0.000 1.210 60 N CA -0.515 52.448 53.050 -0.146 0.000 0.978 60 N CB 1.489 39.872 38.487 -0.174 0.000 1.206 60 N HN -0.037 nan 8.380 nan 0.000 0.536 61 R N 0.371 120.788 120.500 -0.139 0.000 1.906 61 R HA 0.144 4.484 4.340 -0.000 0.000 0.186 61 R C 0.232 176.460 176.300 -0.120 0.000 1.615 61 R CA 0.194 56.226 56.100 -0.114 0.000 1.265 61 R CB -0.474 29.762 30.300 -0.106 0.000 0.976 61 R HN 0.698 nan 8.270 nan 0.000 0.487 62 E N 1.494 121.609 120.200 -0.142 0.000 2.391 62 E HA 0.138 4.488 4.350 -0.000 0.000 0.255 62 E C -2.286 174.238 176.600 -0.126 0.000 1.187 62 E CA -1.684 54.643 56.400 -0.122 0.000 0.941 62 E CB -0.055 29.567 29.700 -0.130 0.000 1.010 62 E HN 0.090 nan 8.360 nan 0.000 0.458 63 P HA -0.027 nan 4.420 nan 0.000 0.269 63 P C -0.587 176.668 177.300 -0.074 0.000 1.217 63 P CA 0.524 63.587 63.100 -0.061 0.000 0.783 63 P CB 0.374 32.063 31.700 -0.017 0.000 0.898 64 I N -1.855 118.684 120.570 -0.051 0.000 3.457 64 I HA 0.494 4.664 4.170 -0.000 0.000 0.307 64 I C 0.254 176.371 176.117 0.001 0.000 1.138 64 I CA -0.862 60.413 61.300 -0.042 0.000 0.974 64 I CB 1.926 39.887 38.000 -0.065 0.000 1.324 64 I HN 0.052 nan 8.210 nan 0.000 0.485 65 N N 0.002 118.703 118.700 0.003 0.000 2.516 65 N HA 0.161 4.901 4.740 -0.000 0.000 0.197 65 N C 0.070 175.569 175.510 -0.018 0.000 1.064 65 N CA 0.922 53.975 53.050 0.006 0.000 0.866 65 N CB 0.902 39.398 38.487 0.016 0.000 1.255 65 N HN 0.840 nan 8.380 nan 0.000 0.447 66 S N -0.730 114.951 115.700 -0.031 0.000 2.669 66 S HA 0.515 4.985 4.470 -0.000 0.000 0.266 66 S C -1.173 173.417 174.600 -0.016 0.000 1.149 66 S CA -0.782 57.406 58.200 -0.020 0.000 0.842 66 S CB 1.210 64.398 63.200 -0.019 0.000 1.160 66 S HN -0.009 nan 8.310 nan 0.000 0.487 67 V N -1.023 118.891 119.914 0.000 0.000 3.040 67 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 67 V C -0.579 175.532 176.094 0.028 0.000 1.115 67 V CA -1.230 61.076 62.300 0.009 0.000 0.998 67 V CB 1.214 33.042 31.823 0.010 0.000 1.042 67 V HN 1.012 nan 8.190 nan 0.000 0.433 68 L N 1.280 122.525 121.223 0.037 0.000 2.418 68 L HA 0.433 4.773 4.340 -0.000 0.000 0.265 68 L C -0.185 176.731 176.870 0.076 0.000 1.143 68 L CA -0.473 54.407 54.840 0.067 0.000 0.809 68 L CB 0.513 42.613 42.059 0.067 0.000 1.124 68 L HN 0.669 nan 8.230 nan 0.000 0.456 69 D N 3.284 123.748 120.400 0.106 0.000 2.382 69 D HA 0.136 4.776 4.640 -0.000 0.000 0.259 69 D C -2.125 174.248 176.300 0.122 0.000 1.224 69 D CA -0.891 53.176 54.000 0.113 0.000 0.894 69 D CB 0.354 41.250 40.800 0.160 0.000 1.127 69 D HN 0.232 nan 8.370 nan 0.000 0.487 70 P HA 0.138 nan 4.420 nan 0.000 0.281 70 P C -0.286 177.128 177.300 0.191 0.000 1.249 70 P CA -0.409 62.757 63.100 0.109 0.000 0.810 70 P CB 1.226 32.961 31.700 0.059 0.000 1.008 71 H N 0.577 119.691 119.070 0.074 0.000 2.690 71 H HA 0.077 4.633 4.556 -0.000 0.000 0.365 71 H C 0.044 175.445 175.328 0.121 0.000 1.142 71 H CA -0.321 55.799 56.048 0.120 0.000 1.417 71 H CB 0.250 30.090 29.762 0.131 0.000 1.446 71 H HN 0.397 nan 8.280 nan 0.000 0.599 72 Y N 0.650 121.029 120.300 0.131 0.000 2.865 72 Y HA -0.133 4.417 4.550 -0.000 0.000 0.338 72 Y C 1.570 177.540 175.900 0.116 0.000 1.269 72 Y CA 1.643 59.808 58.100 0.109 0.000 1.585 72 Y CB 0.059 38.563 38.460 0.072 0.000 1.224 72 Y HN 1.036 nan 8.280 nan 0.000 0.554 73 G N 1.675 110.607 108.800 0.220 0.000 2.184 73 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.264 73 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.264 73 G C 0.122 175.103 174.900 0.135 0.000 0.975 73 G CA 0.050 45.256 45.100 0.178 0.000 0.642 73 G HN 1.068 nan 8.290 nan 0.000 0.536 74 V N -1.174 118.820 119.914 0.133 0.000 3.032 74 V HA 0.546 4.666 4.120 -0.000 0.000 0.307 74 V C 1.529 177.671 176.094 0.081 0.000 1.097 74 V CA 0.771 63.135 62.300 0.106 0.000 1.191 74 V CB 1.188 33.072 31.823 0.103 0.000 0.964 74 V HN 1.213 nan 8.190 nan 0.000 0.494 75 G N 3.991 112.831 108.800 0.068 0.000 3.379 75 G HA2 0.425 4.385 3.960 -0.000 0.000 0.253 75 G HA3 0.425 4.385 3.960 -0.000 0.000 0.253 75 G C 0.433 175.361 174.900 0.047 0.000 1.262 75 G CA -0.061 45.073 45.100 0.056 0.000 0.959 75 G HN 1.151 nan 8.290 nan 0.000 0.524 76 R N -2.454 118.074 120.500 0.047 0.000 2.716 76 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 76 R C -2.268 174.055 176.300 0.038 0.000 1.028 76 R CA -0.759 55.364 56.100 0.039 0.000 0.883 76 R CB 1.299 31.621 30.300 0.036 0.000 1.250 76 R HN -0.116 nan 8.270 nan 0.000 0.465 77 V N 1.913 121.847 119.914 0.033 0.000 2.789 77 V HA 0.500 4.620 4.120 -0.000 0.000 0.311 77 V C -0.684 175.429 176.094 0.032 0.000 1.073 77 V CA -0.977 61.341 62.300 0.029 0.000 0.921 77 V CB 2.207 34.042 31.823 0.019 0.000 1.009 77 V HN 0.574 nan 8.190 nan 0.000 0.426 78 I N 5.200 125.788 120.570 0.030 0.000 2.328 78 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 78 I C -0.130 176.007 176.117 0.034 0.000 1.012 78 I CA -0.253 61.065 61.300 0.030 0.000 1.195 78 I CB 1.259 39.266 38.000 0.012 0.000 1.350 78 I HN 0.386 nan 8.210 nan 0.000 0.464 79 L N 6.280 127.544 121.223 0.067 0.000 2.371 79 L HA 0.475 4.814 4.340 -0.000 0.000 0.272 79 L C -0.039 176.891 176.870 0.099 0.000 1.124 79 L CA -0.753 54.125 54.840 0.063 0.000 0.816 79 L CB 1.343 43.431 42.059 0.049 0.000 1.129 79 L HN 0.199 nan 8.230 nan 0.000 0.448 80 V N 3.667 123.604 119.914 0.038 0.000 2.357 80 V HA 0.489 4.609 4.120 -0.000 0.000 0.284 80 V C -0.066 176.060 176.094 0.053 0.000 1.018 80 V CA -0.541 61.768 62.300 0.014 0.000 0.841 80 V CB 1.466 33.217 31.823 -0.120 0.000 0.991 80 V HN 0.727 nan 8.190 nan 0.000 0.437 81 R N 2.996 123.608 120.500 0.186 0.000 2.575 81 R HA 0.350 4.690 4.340 -0.000 0.000 0.293 81 R C -1.096 175.378 176.300 0.291 0.000 0.983 81 R CA -0.685 55.517 56.100 0.170 0.000 0.887 81 R CB 1.738 32.041 30.300 0.004 0.000 1.184 81 R HN 0.728 nan 8.270 nan 0.000 0.445 82 D N 3.888 124.453 120.400 0.275 0.000 2.371 82 D HA 0.033 4.672 4.640 -0.000 0.000 0.256 82 D C 0.618 176.982 176.300 0.106 0.000 1.193 82 D CA 0.065 54.183 54.000 0.196 0.000 0.881 82 D CB 1.441 42.323 40.800 0.137 0.000 1.143 82 D HN 0.394 nan 8.370 nan 0.000 0.473 83 V N 1.718 121.683 119.914 0.084 0.000 3.099 83 V HA 0.216 4.336 4.120 -0.000 0.000 0.356 83 V C 0.736 176.848 176.094 0.031 0.000 1.364 83 V CA 0.184 62.529 62.300 0.076 0.000 1.229 83 V CB -0.459 31.433 31.823 0.114 0.000 1.227 83 V HN 0.478 nan 8.190 nan 0.000 0.493 84 S N -0.921 114.783 115.700 0.007 0.000 2.809 84 S HA 0.360 4.829 4.470 -0.000 0.000 0.248 84 S C 0.436 175.036 174.600 -0.000 0.000 1.071 84 S CA -0.444 57.752 58.200 -0.006 0.000 1.059 84 S CB -0.278 62.903 63.200 -0.031 0.000 0.923 84 S HN 0.559 nan 8.310 nan 0.000 0.516 85 K N 0.748 121.155 120.400 0.011 0.000 3.035 85 K HA -0.220 4.100 4.320 -0.000 0.000 0.262 85 K C 0.989 177.599 176.600 0.017 0.000 1.024 85 K CA 0.627 56.923 56.287 0.015 0.000 0.748 85 K CB -1.949 30.558 32.500 0.013 0.000 1.247 85 K HN 1.179 nan 8.250 nan 0.000 0.482 86 G N -1.750 107.061 108.800 0.018 0.000 2.218 86 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.216 86 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.216 86 G C 0.683 175.590 174.900 0.013 0.000 0.994 86 G CA 0.236 45.352 45.100 0.026 0.000 0.637 86 G HN 0.646 nan 8.290 nan 0.000 0.505 87 A N 0.565 123.377 122.820 -0.014 0.000 2.235 87 A HA 0.501 4.820 4.320 -0.000 0.000 0.208 87 A C 1.231 178.769 177.584 -0.077 0.000 1.172 87 A CA 1.727 53.744 52.037 -0.033 0.000 0.786 87 A CB -0.526 18.453 19.000 -0.034 0.000 0.804 87 A HN 1.272 nan 8.150 nan 0.000 0.479 88 E N -0.706 119.419 120.200 -0.124 0.000 2.513 88 E HA -0.162 4.188 4.350 -0.000 0.000 0.257 88 E C -0.862 175.385 176.600 -0.590 0.000 1.098 88 E CA 0.414 56.604 56.400 -0.351 0.000 0.752 88 E CB -1.224 28.414 29.700 -0.104 0.000 1.324 88 E HN 0.626 nan 8.360 nan 0.000 0.403 89 Q N 1.099 120.680 119.800 -0.365 0.000 2.390 89 Q HA 0.224 4.563 4.340 -0.000 0.000 0.249 89 Q C -0.000 175.851 176.000 -0.248 0.000 0.996 89 Q CA 0.101 55.759 55.803 -0.241 0.000 0.899 89 Q CB 0.665 29.343 28.738 -0.100 0.000 1.216 89 Q HN 0.273 nan 8.270 nan 0.000 0.465 90 H N 0.282 119.376 119.070 0.041 0.000 2.496 90 H HA 0.713 5.268 4.556 -0.000 0.000 0.342 90 H C -0.447 174.886 175.328 0.009 0.000 1.170 90 H CA -0.579 55.496 56.048 0.046 0.000 1.274 90 H CB 1.521 31.309 29.762 0.044 0.000 1.538 90 H HN 0.601 nan 8.280 nan 0.000 0.542 91 A N 1.935 124.868 122.820 0.187 0.000 2.423 91 A HA 0.600 4.920 4.320 -0.000 0.000 0.304 91 A C -0.708 176.862 177.584 -0.023 0.000 1.104 91 A CA -0.773 51.259 52.037 -0.008 0.000 0.757 91 A CB 1.208 20.169 19.000 -0.064 0.000 1.313 91 A HN 0.551 nan 8.150 nan 0.000 0.423 92 L N 0.801 121.852 121.223 -0.286 0.000 2.309 92 L HA 0.634 4.974 4.340 -0.000 0.000 0.282 92 L C -1.451 175.186 176.870 -0.388 0.000 1.036 92 L CA -0.247 54.469 54.840 -0.205 0.000 0.806 92 L CB 1.217 43.108 42.059 -0.279 0.000 1.220 92 L HN 0.636 nan 8.230 nan 0.000 0.429 93 F N 1.608 121.520 119.950 -0.063 0.000 2.539 93 F HA 0.397 4.924 4.527 -0.000 0.000 0.318 93 F C -0.076 175.701 175.800 -0.038 0.000 1.135 93 F CA -0.980 56.994 58.000 -0.043 0.000 0.915 93 F CB 1.773 40.753 39.000 -0.034 0.000 1.176 93 F HN 0.331 nan 8.300 nan 0.000 0.440 94 K N 1.720 122.189 120.400 0.115 0.000 2.110 94 K HA 0.881 5.201 4.320 -0.000 0.000 0.263 94 K C -1.496 175.147 176.600 0.072 0.000 0.975 94 K CA -0.773 55.556 56.287 0.070 0.000 0.895 94 K CB 2.164 34.683 32.500 0.032 0.000 1.060 94 K HN 0.413 nan 8.250 nan 0.000 0.448 95 V N 2.431 122.375 119.914 0.050 0.000 2.525 95 V HA 0.128 4.247 4.120 -0.000 0.000 0.299 95 V C -0.772 175.340 176.094 0.030 0.000 1.034 95 V CA -1.104 61.218 62.300 0.036 0.000 0.863 95 V CB 1.383 33.218 31.823 0.020 0.000 0.999 95 V HN 0.924 nan 8.190 nan 0.000 0.423 96 N N 3.203 121.920 118.700 0.029 0.000 2.452 96 N HA 0.008 4.747 4.740 -0.000 0.000 0.266 96 N C 1.435 176.961 175.510 0.027 0.000 1.175 96 N CA 0.672 53.739 53.050 0.029 0.000 0.945 96 N CB 1.675 40.178 38.487 0.027 0.000 1.063 96 N HN 0.841 nan 8.380 nan 0.000 0.472 97 T N 0.168 114.740 114.554 0.031 0.000 3.025 97 T HA -0.077 4.273 4.350 -0.000 0.000 0.270 97 T C 1.343 176.061 174.700 0.031 0.000 1.126 97 T CA 0.964 63.084 62.100 0.032 0.000 1.105 97 T CB -0.150 68.742 68.868 0.040 0.000 0.884 97 T HN 0.348 nan 8.240 nan 0.000 0.522 98 S N 0.840 116.557 115.700 0.029 0.000 2.528 98 S HA 0.233 4.703 4.470 -0.000 0.000 0.219 98 S C 0.949 175.562 174.600 0.022 0.000 0.985 98 S CA -0.146 58.069 58.200 0.026 0.000 0.914 98 S CB 0.052 63.268 63.200 0.026 0.000 0.776 98 S HN 0.489 nan 8.310 nan 0.000 0.526 99 R N 1.382 121.894 120.500 0.020 0.000 2.653 99 R HA 0.259 4.598 4.340 -0.000 0.000 0.269 99 R C -3.120 173.188 176.300 0.013 0.000 1.603 99 R CA -1.621 54.489 56.100 0.016 0.000 1.671 99 R CB 1.150 31.460 30.300 0.016 0.000 1.300 99 R HN 0.120 nan 8.270 nan 0.000 0.668 100 P HA -0.026 nan 4.420 nan 0.000 0.266 100 P C 0.876 178.173 177.300 -0.004 0.000 1.193 100 P CA 1.060 64.162 63.100 0.004 0.000 0.770 100 P CB 0.776 32.482 31.700 0.010 0.000 0.836 101 G N 1.030 109.819 108.800 -0.018 0.000 2.234 101 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.260 101 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.260 101 G C -0.065 174.826 174.900 -0.015 0.000 0.987 101 G CA -0.140 44.945 45.100 -0.024 0.000 0.625 101 G HN 0.575 nan 8.290 nan 0.000 0.532 102 E N 1.176 121.376 120.200 -0.001 0.000 2.113 102 E HA 0.497 4.847 4.350 -0.000 0.000 0.273 102 E C -0.262 176.353 176.600 0.026 0.000 0.924 102 E CA -0.329 56.078 56.400 0.011 0.000 0.764 102 E CB 0.927 30.637 29.700 0.016 0.000 1.104 102 E HN 0.567 nan 8.360 nan 0.000 0.406 103 E N 2.541 122.766 120.200 0.042 0.000 2.207 103 E HA 0.279 4.629 4.350 -0.000 0.000 0.270 103 E C -0.765 175.913 176.600 0.130 0.000 0.927 103 E CA -0.757 55.701 56.400 0.096 0.000 0.799 103 E CB 2.167 31.929 29.700 0.103 0.000 1.172 103 E HN 0.279 nan 8.360 nan 0.000 0.404 104 Q N 2.555 122.439 119.800 0.139 0.000 2.290 104 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 104 Q C -1.084 174.937 176.000 0.034 0.000 1.016 104 Q CA -0.757 55.096 55.803 0.084 0.000 0.754 104 Q CB 1.669 30.428 28.738 0.035 0.000 1.247 104 Q HN 0.424 nan 8.270 nan 0.000 0.451 105 R N 3.731 124.197 120.500 -0.057 0.000 2.543 105 R HA 0.200 4.539 4.340 -0.000 0.000 0.277 105 R C -0.634 175.499 176.300 -0.278 0.000 1.074 105 R CA -0.073 55.781 56.100 -0.411 0.000 1.076 105 R CB 0.466 30.478 30.300 -0.480 0.000 0.993 105 R HN 0.626 nan 8.270 nan 0.000 0.459 106 L N 5.601 126.626 121.223 -0.331 0.000 2.375 106 L HA 0.122 4.462 4.340 -0.000 0.000 0.276 106 L C 0.891 177.642 176.870 -0.199 0.000 1.162 106 L CA -0.289 54.431 54.840 -0.200 0.000 0.991 106 L CB 0.857 42.807 42.059 -0.181 0.000 1.315 106 L HN 0.729 nan 8.230 nan 0.000 0.431 107 E N 1.967 122.078 120.200 -0.150 0.000 2.333 107 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 107 E C 1.947 178.496 176.600 -0.085 0.000 1.007 107 E CA 1.041 57.369 56.400 -0.119 0.000 0.845 107 E CB 0.254 29.905 29.700 -0.081 0.000 0.766 107 E HN 0.755 nan 8.360 nan 0.000 0.507 108 A N 0.982 123.762 122.820 -0.066 0.000 2.119 108 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 108 A C 1.288 178.846 177.584 -0.044 0.000 1.153 108 A CA 0.337 52.352 52.037 -0.036 0.000 0.692 108 A CB 0.196 19.192 19.000 -0.008 0.000 0.799 108 A HN 0.029 nan 8.150 nan 0.000 0.458 109 V N 2.616 122.480 119.914 -0.083 0.000 2.304 109 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 109 V C 0.365 176.388 176.094 -0.118 0.000 1.036 109 V CA -0.952 61.286 62.300 -0.103 0.000 0.840 109 V CB 0.577 32.299 31.823 -0.167 0.000 1.036 109 V HN 0.612 nan 8.190 nan 0.000 0.466 110 K N 5.086 125.433 120.400 -0.088 0.000 2.319 110 K HA 0.327 4.647 4.320 -0.000 0.000 0.265 110 K C -2.607 173.951 176.600 -0.069 0.000 1.000 110 K CA -1.338 54.907 56.287 -0.070 0.000 0.943 110 K CB 0.020 32.493 32.500 -0.045 0.000 0.950 110 K HN 0.276 nan 8.250 nan 0.000 0.485 111 P HA -0.058 nan 4.420 nan 0.000 0.264 111 P C -0.738 176.548 177.300 -0.024 0.000 1.183 111 P CA 0.449 63.528 63.100 -0.035 0.000 0.763 111 P CB 0.422 32.107 31.700 -0.026 0.000 0.807 112 M N 0.032 119.630 119.600 -0.004 0.000 2.833 112 M HA 0.444 4.923 4.480 -0.000 0.000 0.270 112 M C -1.001 175.341 176.300 0.069 0.000 1.209 112 M CA -1.190 54.125 55.300 0.026 0.000 0.826 112 M CB 2.195 34.823 32.600 0.046 0.000 1.657 112 M HN -0.088 nan 8.290 nan 0.000 0.492 113 R N 2.050 122.609 120.500 0.097 0.000 2.291 113 R HA 0.363 4.703 4.340 -0.000 0.000 0.333 113 R C -1.004 175.490 176.300 0.324 0.000 1.082 113 R CA -0.362 55.855 56.100 0.196 0.000 0.948 113 R CB 0.191 30.594 30.300 0.172 0.000 1.009 113 R HN 0.635 nan 8.270 nan 0.000 0.460 114 I N 7.271 128.154 120.570 0.523 0.000 2.452 114 I HA -0.044 4.126 4.170 -0.000 0.000 0.287 114 I C 1.206 177.475 176.117 0.253 0.000 1.079 114 I CA 0.195 61.672 61.300 0.295 0.000 1.387 114 I CB 1.210 39.270 38.000 0.099 0.000 1.404 114 I HN 0.787 nan 8.210 nan 0.000 0.522 115 L N 4.899 126.279 121.223 0.261 0.000 2.408 115 L HA 0.083 4.423 4.340 -0.000 0.000 0.215 115 L C 0.733 177.816 176.870 0.355 0.000 1.081 115 L CA 0.400 55.405 54.840 0.276 0.000 0.840 115 L CB -0.017 42.105 42.059 0.104 0.000 1.002 115 L HN 0.821 nan 8.230 nan 0.000 0.468 116 S N -1.549 114.343 115.700 0.321 0.000 2.627 116 S HA 0.730 5.200 4.470 -0.000 0.000 0.268 116 S C -0.748 174.045 174.600 0.321 0.000 1.130 116 S CA -0.175 58.233 58.200 0.345 0.000 0.819 116 S CB 1.599 65.081 63.200 0.471 0.000 1.100 116 S HN 0.143 nan 8.310 nan 0.000 0.465 117 G N -0.461 108.506 108.800 0.278 0.000 2.519 117 G HA2 0.567 4.527 3.960 -0.000 0.000 0.292 117 G HA3 0.567 4.527 3.960 -0.000 0.000 0.292 117 G C -2.084 172.944 174.900 0.213 0.000 1.507 117 G CA -0.174 45.094 45.100 0.281 0.000 0.806 117 G HN 1.366 nan 8.290 nan 0.000 0.523 118 V N 0.337 120.372 119.914 0.202 0.000 2.925 118 V HA 0.704 4.824 4.120 -0.000 0.000 0.311 118 V C -1.403 174.751 176.094 0.099 0.000 1.104 118 V CA -0.643 61.749 62.300 0.153 0.000 0.954 118 V CB 2.327 34.247 31.823 0.161 0.000 1.022 118 V HN 0.868 nan 8.190 nan 0.000 0.427 119 D N 1.276 121.707 120.400 0.051 0.000 2.481 119 D HA 0.358 4.998 4.640 -0.000 0.000 0.246 119 D C 0.919 177.140 176.300 -0.131 0.000 1.109 119 D CA 0.137 54.136 54.000 -0.002 0.000 0.845 119 D CB 2.140 42.960 40.800 0.033 0.000 1.160 119 D HN 0.663 nan 8.370 nan 0.000 0.534 120 T N 0.718 115.120 114.554 -0.254 0.000 3.088 120 T HA 0.286 4.636 4.350 -0.000 0.000 0.259 120 T C 1.506 176.134 174.700 -0.119 0.000 1.122 120 T CA 0.833 62.648 62.100 -0.475 0.000 1.095 120 T CB 0.115 68.749 68.868 -0.390 0.000 0.930 120 T HN 0.680 nan 8.240 nan 0.000 0.508 121 G N 0.908 109.685 108.800 -0.039 0.000 2.259 121 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 121 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 121 G C 0.772 175.682 174.900 0.017 0.000 1.001 121 G CA 0.318 45.429 45.100 0.018 0.000 0.627 121 G HN 0.540 nan 8.290 nan 0.000 0.501 122 E N -0.155 120.047 120.200 0.004 0.000 2.453 122 E HA 0.576 4.926 4.350 -0.000 0.000 0.211 122 E C 0.662 177.272 176.600 0.017 0.000 0.897 122 E CA 0.628 57.038 56.400 0.015 0.000 1.063 122 E CB 1.146 30.857 29.700 0.019 0.000 1.080 122 E HN 0.866 nan 8.360 nan 0.000 0.512 123 A N 0.811 123.635 122.820 0.006 0.000 2.520 123 A HA 0.551 4.871 4.320 -0.000 0.000 0.298 123 A C -1.169 176.441 177.584 0.043 0.000 1.051 123 A CA -0.547 51.508 52.037 0.030 0.000 0.690 123 A CB 1.702 20.720 19.000 0.029 0.000 1.281 123 A HN -0.031 nan 8.150 nan 0.000 0.402 124 V N 2.022 121.997 119.914 0.102 0.000 2.370 124 V HA 0.519 4.639 4.120 -0.000 0.000 0.283 124 V C -0.425 175.833 176.094 0.273 0.000 1.023 124 V CA -0.478 61.921 62.300 0.165 0.000 0.857 124 V CB 1.284 33.205 31.823 0.163 0.000 0.985 124 V HN 0.659 nan 8.190 nan 0.000 0.443 125 V N 6.809 126.876 119.914 0.255 0.000 2.448 125 V HA 0.700 4.820 4.120 -0.000 0.000 0.295 125 V C -0.482 175.819 176.094 0.344 0.000 1.025 125 V CA -0.492 61.940 62.300 0.220 0.000 0.859 125 V CB 1.184 33.085 31.823 0.129 0.000 0.988 125 V HN 0.823 nan 8.190 nan 0.000 0.431 126 F N 1.485 121.540 119.950 0.176 0.000 2.662 126 F HA 0.889 5.415 4.527 -0.000 0.000 0.312 126 F C -0.243 175.705 175.800 0.247 0.000 1.113 126 F CA -0.879 57.236 58.000 0.192 0.000 0.951 126 F CB 1.789 40.878 39.000 0.148 0.000 1.344 126 F HN 0.410 nan 8.300 nan 0.000 0.462 127 T N -0.813 113.966 114.554 0.375 0.000 2.855 127 T HA 0.876 5.226 4.350 -0.000 0.000 0.281 127 T C -0.364 174.555 174.700 0.364 0.000 1.007 127 T CA -0.425 61.821 62.100 0.244 0.000 1.009 127 T CB 1.367 70.319 68.868 0.139 0.000 0.983 127 T HN 1.350 nan 8.240 nan 0.000 0.455 128 G N 0.044 109.055 108.800 0.351 0.000 2.690 128 G HA2 0.730 4.690 3.960 -0.000 0.000 0.293 128 G HA3 0.730 4.690 3.960 -0.000 0.000 0.293 128 G C -1.524 173.498 174.900 0.204 0.000 1.399 128 G CA -0.860 44.443 45.100 0.338 0.000 0.890 128 G HN 1.080 nan 8.290 nan 0.000 0.485 129 A N 0.512 123.405 122.820 0.122 0.000 2.343 129 A HA 0.910 5.229 4.320 -0.000 0.000 0.316 129 A C 0.369 177.984 177.584 0.051 0.000 1.104 129 A CA 0.021 52.076 52.037 0.029 0.000 0.768 129 A CB 1.292 20.243 19.000 -0.081 0.000 1.213 129 A HN 1.529 nan 8.150 nan 0.000 0.456 130 T N -1.511 113.065 114.554 0.037 0.000 2.804 130 T HA 0.447 4.797 4.350 -0.000 0.000 0.272 130 T C 0.842 175.543 174.700 0.002 0.000 0.986 130 T CA -0.148 61.969 62.100 0.029 0.000 0.999 130 T CB 1.021 69.916 68.868 0.045 0.000 1.307 130 T HN 0.494 nan 8.240 nan 0.000 0.586 131 E N 0.816 121.014 120.200 -0.003 0.000 2.153 131 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 131 E C 1.302 177.886 176.600 -0.028 0.000 0.988 131 E CA 1.805 58.194 56.400 -0.018 0.000 0.811 131 E CB -0.238 29.451 29.700 -0.018 0.000 0.746 131 E HN 0.827 nan 8.360 nan 0.000 0.466 132 D N -0.457 119.932 120.400 -0.019 0.000 2.379 132 D HA -0.029 4.611 4.640 -0.000 0.000 0.208 132 D C 0.774 177.052 176.300 -0.037 0.000 1.065 132 D CA -0.081 53.903 54.000 -0.026 0.000 0.848 132 D CB 0.373 41.162 40.800 -0.018 0.000 0.949 132 D HN 0.169 nan 8.370 nan 0.000 0.509 133 R N -1.498 118.980 120.500 -0.036 0.000 2.774 133 R HA 0.484 4.824 4.340 -0.000 0.000 0.279 133 R C -2.183 174.077 176.300 -0.065 0.000 1.022 133 R CA -0.904 55.160 56.100 -0.062 0.000 0.855 133 R CB 0.813 31.072 30.300 -0.069 0.000 1.279 133 R HN -0.162 nan 8.270 nan 0.000 0.485 134 V N 0.370 120.218 119.914 -0.111 0.000 2.495 134 V HA 0.885 5.005 4.120 -0.000 0.000 0.298 134 V C -0.331 175.664 176.094 -0.165 0.000 1.031 134 V CA -0.148 62.081 62.300 -0.120 0.000 0.871 134 V CB 1.164 32.887 31.823 -0.167 0.000 0.988 134 V HN 0.999 nan 8.190 nan 0.000 0.432 135 A N 3.949 126.669 122.820 -0.168 0.000 2.594 135 A HA 0.916 5.236 4.320 -0.000 0.000 0.291 135 A C -1.658 175.659 177.584 -0.447 0.000 1.105 135 A CA -0.657 51.139 52.037 -0.402 0.000 0.694 135 A CB 1.793 20.389 19.000 -0.673 0.000 1.291 135 A HN 0.862 nan 8.150 nan 0.000 0.410 136 L N 0.830 121.734 121.223 -0.532 0.000 2.282 136 L HA 0.771 5.111 4.340 -0.000 0.000 0.288 136 L C -1.599 174.912 176.870 -0.599 0.000 1.033 136 L CA -0.115 54.498 54.840 -0.378 0.000 0.807 136 L CB 0.507 42.435 42.059 -0.219 0.000 1.209 136 L HN 0.606 nan 8.230 nan 0.000 0.423 137 Y N 3.396 123.398 120.300 -0.496 0.000 2.562 137 Y HA 0.831 5.381 4.550 -0.000 0.000 0.343 137 Y C 0.001 175.618 175.900 -0.473 0.000 1.025 137 Y CA -0.730 57.012 58.100 -0.597 0.000 1.082 137 Y CB 2.164 39.974 38.460 -1.084 0.000 1.264 137 Y HN 0.708 nan 8.280 nan 0.000 0.478 138 A N 2.274 125.060 122.820 -0.057 0.000 2.359 138 A HA 0.716 5.036 4.320 -0.000 0.000 0.303 138 A C -2.173 175.474 177.584 0.105 0.000 1.066 138 A CA -0.572 51.483 52.037 0.029 0.000 0.730 138 A CB 1.144 20.158 19.000 0.024 0.000 1.211 138 A HN 0.637 nan 8.150 nan 0.000 0.439 139 L N 3.327 124.653 121.223 0.172 0.000 2.343 139 L HA 0.760 5.100 4.340 -0.000 0.000 0.278 139 L C -0.798 176.132 176.870 0.100 0.000 0.996 139 L CA -0.168 54.766 54.840 0.155 0.000 0.831 139 L CB 1.274 43.462 42.059 0.214 0.000 1.232 139 L HN 0.877 nan 8.230 nan 0.000 0.413 140 D N 2.365 122.806 120.400 0.068 0.000 2.801 140 D HA 0.423 5.062 4.640 -0.000 0.000 0.277 140 D C 1.031 177.353 176.300 0.037 0.000 1.125 140 D CA -0.066 53.963 54.000 0.048 0.000 1.102 140 D CB 0.267 41.091 40.800 0.040 0.000 1.400 140 D HN 0.406 nan 8.370 nan 0.000 0.601 141 G N -1.218 107.600 108.800 0.029 0.000 2.485 141 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.221 141 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.221 141 G C 1.175 176.088 174.900 0.022 0.000 1.115 141 G CA 0.827 45.941 45.100 0.023 0.000 0.751 141 G HN 0.634 nan 8.290 nan 0.000 0.567 142 G N -0.885 107.929 108.800 0.024 0.000 3.042 142 G HA2 0.492 4.452 3.960 -0.000 0.000 0.212 142 G HA3 0.492 4.452 3.960 -0.000 0.000 0.212 142 G C 0.741 175.655 174.900 0.024 0.000 1.166 142 G CA 0.547 45.660 45.100 0.021 0.000 0.767 142 G HN 1.282 nan 8.290 nan 0.000 0.546 143 G N -0.795 108.023 108.800 0.031 0.000 2.362 143 G HA2 0.150 4.110 3.960 -0.000 0.000 0.517 143 G HA3 0.150 4.110 3.960 -0.000 0.000 0.517 143 G C -1.155 173.777 174.900 0.053 0.000 1.256 143 G CA -0.433 44.688 45.100 0.035 0.000 1.027 143 G HN 0.778 nan 8.290 nan 0.000 0.491 144 L N 0.524 121.784 121.223 0.061 0.000 2.292 144 L HA 0.865 5.204 4.340 -0.000 0.000 0.284 144 L C 0.572 177.495 176.870 0.089 0.000 1.065 144 L CA -0.284 54.611 54.840 0.092 0.000 0.806 144 L CB 0.884 43.000 42.059 0.094 0.000 1.175 144 L HN 0.669 nan 8.230 nan 0.000 0.431 145 R N 3.442 124.000 120.500 0.097 0.000 2.628 145 R HA 0.358 4.698 4.340 -0.000 0.000 0.288 145 R C -1.175 175.159 176.300 0.058 0.000 0.980 145 R CA -0.748 55.389 56.100 0.063 0.000 0.891 145 R CB 1.906 32.221 30.300 0.024 0.000 1.188 145 R HN 0.624 nan 8.270 nan 0.000 0.450 146 E N 3.832 124.030 120.200 -0.004 0.000 2.130 146 E HA 0.101 4.451 4.350 -0.000 0.000 0.284 146 E C 0.440 176.920 176.600 -0.200 0.000 1.018 146 E CA -0.162 56.114 56.400 -0.206 0.000 0.817 146 E CB 0.787 30.357 29.700 -0.216 0.000 1.078 146 E HN 0.547 nan 8.360 nan 0.000 0.396 147 L N 3.082 124.162 121.223 -0.237 0.000 2.131 147 L HA 0.215 4.555 4.340 -0.000 0.000 0.206 147 L C 0.830 177.594 176.870 -0.176 0.000 1.087 147 L CA 0.580 55.327 54.840 -0.156 0.000 0.767 147 L CB -0.108 41.884 42.059 -0.111 0.000 0.917 147 L HN 0.519 nan 8.230 nan 0.000 0.441 148 A N -0.831 121.832 122.820 -0.262 0.000 2.597 148 A HA 0.518 4.838 4.320 -0.000 0.000 0.292 148 A C -1.179 176.210 177.584 -0.325 0.000 1.057 148 A CA -0.643 51.241 52.037 -0.254 0.000 0.674 148 A CB 1.374 20.238 19.000 -0.226 0.000 1.278 148 A HN -0.032 nan 8.150 nan 0.000 0.416 149 R N 1.405 121.735 120.500 -0.284 0.000 2.312 149 R HA 0.616 4.955 4.340 -0.000 0.000 0.311 149 R C -1.267 174.829 176.300 -0.338 0.000 1.004 149 R CA -0.394 55.536 56.100 -0.283 0.000 0.902 149 R CB 0.393 30.565 30.300 -0.215 0.000 1.073 149 R HN 0.702 nan 8.270 nan 0.000 0.457 150 L N 6.149 127.158 121.223 -0.357 0.000 2.344 150 L HA 0.405 4.745 4.340 -0.000 0.000 0.272 150 L C -1.463 175.141 176.870 -0.445 0.000 1.035 150 L CA -2.145 52.401 54.840 -0.490 0.000 0.807 150 L CB 1.616 43.462 42.059 -0.356 0.000 1.237 150 L HN 0.415 nan 8.230 nan 0.000 0.442 151 P HA 0.014 nan 4.420 nan 0.000 0.223 151 P C 0.396 177.650 177.300 -0.077 0.000 1.151 151 P CA 0.445 63.320 63.100 -0.374 0.000 0.787 151 P CB 0.403 31.813 31.700 -0.483 0.000 0.788 152 G N -2.536 106.318 108.800 0.090 0.000 2.494 152 G HA2 0.327 4.287 3.960 -0.000 0.000 0.308 152 G HA3 0.327 4.287 3.960 -0.000 0.000 0.308 152 G C -1.439 173.614 174.900 0.255 0.000 1.263 152 G CA -0.827 44.395 45.100 0.204 0.000 0.840 152 G HN -0.164 nan 8.290 nan 0.000 0.479 153 F N 1.103 121.168 119.950 0.191 0.000 2.623 153 F HA 0.373 4.900 4.527 -0.000 0.000 0.386 153 F C 1.304 177.159 175.800 0.091 0.000 1.068 153 F CA 1.878 59.898 58.000 0.033 0.000 1.265 153 F CB 0.631 39.681 39.000 0.083 0.000 1.026 153 F HN 0.573 nan 8.300 nan 0.000 0.568 154 G N 3.331 112.073 108.800 -0.098 0.000 2.667 154 G HA2 0.675 4.635 3.960 -0.000 0.000 0.298 154 G HA3 0.675 4.635 3.960 -0.000 0.000 0.298 154 G C -2.009 172.708 174.900 -0.305 0.000 1.377 154 G CA -0.691 44.448 45.100 0.065 0.000 0.964 154 G HN 0.341 nan 8.290 nan 0.000 0.493 155 F N 0.588 120.831 119.950 0.488 0.000 2.556 155 F HA 0.484 5.011 4.527 -0.000 0.000 0.314 155 F C 0.226 176.198 175.800 0.288 0.000 1.106 155 F CA -1.101 57.115 58.000 0.360 0.000 0.911 155 F CB 2.387 41.555 39.000 0.280 0.000 1.190 155 F HN 0.281 nan 8.300 nan 0.000 0.448 156 V N 2.315 122.475 119.914 0.410 0.000 2.508 156 V HA 0.145 4.265 4.120 -0.000 0.000 0.281 156 V C 0.360 176.563 176.094 0.182 0.000 1.041 156 V CA 0.366 62.818 62.300 0.253 0.000 1.016 156 V CB 1.034 33.011 31.823 0.257 0.000 0.984 156 V HN 1.002 nan 8.190 nan 0.000 0.478 157 S N 2.296 118.028 115.700 0.053 0.000 2.502 157 S HA 0.170 4.640 4.470 -0.000 0.000 0.228 157 S C 0.215 174.855 174.600 0.067 0.000 1.061 157 S CA 0.155 58.384 58.200 0.048 0.000 0.935 157 S CB 0.217 63.384 63.200 -0.054 0.000 0.809 157 S HN 0.939 nan 8.310 nan 0.000 0.510 158 D N -1.021 119.409 120.400 0.050 0.000 2.683 158 D HA 0.464 5.104 4.640 -0.000 0.000 0.246 158 D C -1.971 174.395 176.300 0.109 0.000 1.238 158 D CA -0.418 53.640 54.000 0.096 0.000 0.759 158 D CB 1.089 41.916 40.800 0.045 0.000 1.349 158 D HN -0.005 nan 8.370 nan 0.000 0.426 159 I N 1.602 122.291 120.570 0.197 0.000 2.569 159 I HA 0.491 4.660 4.170 -0.000 0.000 0.290 159 I C -0.759 175.492 176.117 0.222 0.000 1.088 159 I CA -0.750 60.662 61.300 0.186 0.000 1.047 159 I CB 2.290 40.394 38.000 0.173 0.000 1.237 159 I HN 0.205 nan 8.210 nan 0.000 0.421 160 R N 4.140 124.714 120.500 0.123 0.000 2.510 160 R HA 0.602 4.942 4.340 -0.000 0.000 0.294 160 R C 0.267 176.607 176.300 0.066 0.000 1.056 160 R CA 0.357 56.511 56.100 0.091 0.000 0.918 160 R CB 1.664 31.969 30.300 0.009 0.000 1.187 160 R HN 0.918 nan 8.270 nan 0.000 0.437 161 G N 3.256 112.105 108.800 0.082 0.000 2.561 161 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.289 161 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.289 161 G C 0.299 175.231 174.900 0.054 0.000 1.169 161 G CA 0.593 45.725 45.100 0.054 0.000 0.980 161 G HN 0.651 nan 8.290 nan 0.000 0.550 162 D N -0.301 120.122 120.400 0.038 0.000 2.339 162 D HA 0.328 4.968 4.640 -0.000 0.000 0.217 162 D C 0.841 177.166 176.300 0.042 0.000 1.050 162 D CA -0.100 53.923 54.000 0.038 0.000 0.856 162 D CB 0.065 40.883 40.800 0.029 0.000 0.922 162 D HN 0.384 nan 8.370 nan 0.000 0.518 163 L N 1.289 122.536 121.223 0.041 0.000 2.276 163 L HA 0.438 4.778 4.340 -0.000 0.000 0.286 163 L C -0.786 176.114 176.870 0.050 0.000 1.061 163 L CA -0.182 54.682 54.840 0.040 0.000 0.807 163 L CB 0.842 42.911 42.059 0.017 0.000 1.177 163 L HN -0.094 nan 8.230 nan 0.000 0.429 164 I N 5.288 125.895 120.570 0.061 0.000 2.406 164 I HA 0.645 4.815 4.170 -0.000 0.000 0.290 164 I C -0.205 175.926 176.117 0.023 0.000 0.999 164 I CA -0.556 60.785 61.300 0.068 0.000 1.124 164 I CB 1.704 39.773 38.000 0.115 0.000 1.289 164 I HN 0.772 nan 8.210 nan 0.000 0.441 165 A N 4.466 127.250 122.820 -0.060 0.000 2.350 165 A HA 0.982 5.301 4.320 -0.000 0.000 0.324 165 A C -0.227 177.117 177.584 -0.401 0.000 1.118 165 A CA -0.449 51.458 52.037 -0.216 0.000 0.783 165 A CB 1.682 20.572 19.000 -0.184 0.000 1.236 165 A HN 0.849 nan 8.150 nan 0.000 0.457 166 G N -0.304 107.970 108.800 -0.875 0.000 2.645 166 G HA2 0.590 4.550 3.960 -0.000 0.000 0.292 166 G HA3 0.590 4.550 3.960 -0.000 0.000 0.292 166 G C -1.756 172.630 174.900 -0.855 0.000 1.415 166 G CA -0.663 43.833 45.100 -1.005 0.000 0.785 166 G HN 0.747 nan 8.290 nan 0.000 0.483 167 L N -0.025 121.038 121.223 -0.267 0.000 2.365 167 L HA 0.787 5.126 4.340 -0.000 0.000 0.273 167 L C 0.354 177.344 176.870 0.201 0.000 1.000 167 L CA -0.796 54.029 54.840 -0.024 0.000 0.819 167 L CB 2.472 44.541 42.059 0.017 0.000 1.284 167 L HN 0.792 nan 8.230 nan 0.000 0.418 168 G N 1.055 109.732 108.800 -0.205 0.000 2.617 168 G HA2 0.613 4.572 3.960 -0.000 0.000 0.306 168 G HA3 0.613 4.572 3.960 -0.000 0.000 0.306 168 G C -1.339 173.087 174.900 -0.790 0.000 1.360 168 G CA -0.326 44.270 45.100 -0.840 0.000 0.983 168 G HN 0.315 nan 8.290 nan 0.000 0.496 169 F N 2.489 122.342 119.950 -0.162 0.000 2.467 169 F HA 0.336 4.863 4.527 -0.000 0.000 0.349 169 F C 0.732 176.724 175.800 0.321 0.000 1.182 169 F CA -0.582 57.503 58.000 0.142 0.000 1.279 169 F CB 0.186 39.394 39.000 0.347 0.000 1.626 169 F HN 0.481 nan 8.300 nan 0.000 0.596 170 F N 0.812 120.923 119.950 0.268 0.000 2.660 170 F HA 0.408 4.935 4.527 -0.000 0.000 0.302 170 F C 1.166 177.053 175.800 0.146 0.000 1.103 170 F CA -0.362 57.745 58.000 0.180 0.000 1.340 170 F CB 0.376 39.449 39.000 0.122 0.000 1.048 170 F HN 0.380 nan 8.300 nan 0.000 0.551 171 G N -1.017 107.984 108.800 0.335 0.000 2.308 171 G HA2 0.333 4.292 3.960 -0.000 0.000 0.288 171 G HA3 0.333 4.292 3.960 -0.000 0.000 0.288 171 G C 0.200 175.207 174.900 0.177 0.000 1.722 171 G CA -0.390 44.843 45.100 0.221 0.000 0.924 171 G HN 0.307 nan 8.290 nan 0.000 0.732 172 G N -0.347 108.537 108.800 0.140 0.000 2.269 172 G HA2 0.246 4.206 3.960 -0.000 0.000 0.277 172 G HA3 0.246 4.206 3.960 -0.000 0.000 0.277 172 G C 2.092 177.079 174.900 0.145 0.000 1.008 172 G CA 1.633 46.800 45.100 0.111 0.000 0.774 172 G HN 2.918 nan 8.290 nan 0.000 0.511 173 G N -1.586 107.359 108.800 0.242 0.000 2.205 173 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.261 173 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.261 173 G C 0.614 175.616 174.900 0.170 0.000 0.980 173 G CA 0.987 46.293 45.100 0.344 0.000 0.632 173 G HN 1.150 nan 8.290 nan 0.000 0.533 174 R N -0.071 120.485 120.500 0.094 0.000 2.531 174 R HA 0.550 4.889 4.340 -0.000 0.000 0.273 174 R C -0.333 175.885 176.300 -0.136 0.000 1.070 174 R CA -0.433 55.647 56.100 -0.033 0.000 1.112 174 R CB 1.565 31.861 30.300 -0.005 0.000 1.049 174 R HN 0.114 nan 8.270 nan 0.000 0.508 175 V N 1.983 121.731 119.914 -0.277 0.000 2.370 175 V HA 0.194 4.314 4.120 -0.000 0.000 0.283 175 V C 0.030 176.058 176.094 -0.110 0.000 1.023 175 V CA -0.483 61.560 62.300 -0.428 0.000 0.857 175 V CB 1.494 32.951 31.823 -0.609 0.000 0.985 175 V HN 0.782 nan 8.190 nan 0.000 0.443 176 S N 4.505 120.152 115.700 -0.089 0.000 2.687 176 S HA 0.744 5.214 4.470 -0.000 0.000 0.283 176 S C -0.466 174.207 174.600 0.120 0.000 1.170 176 S CA -0.531 57.763 58.200 0.157 0.000 1.008 176 S CB 1.849 65.162 63.200 0.189 0.000 1.026 176 S HN 0.554 nan 8.310 nan 0.000 0.541 177 L N 2.237 123.540 121.223 0.133 0.000 2.334 177 L HA 0.778 5.117 4.340 -0.000 0.000 0.275 177 L C -1.135 175.891 176.870 0.259 0.000 1.036 177 L CA -0.382 54.390 54.840 -0.113 0.000 0.807 177 L CB 0.686 42.350 42.059 -0.659 0.000 1.231 177 L HN 0.661 nan 8.230 nan 0.000 0.438 178 F N 0.808 120.855 119.950 0.162 0.000 2.613 178 F HA 0.893 5.420 4.527 -0.000 0.000 0.310 178 F C -0.702 175.232 175.800 0.224 0.000 1.085 178 F CA -0.472 57.698 58.000 0.283 0.000 0.945 178 F CB 1.275 40.467 39.000 0.319 0.000 1.298 178 F HN 0.588 nan 8.300 nan 0.000 0.455 179 T N -0.702 114.172 114.554 0.533 0.000 2.907 179 T HA 0.828 5.178 4.350 -0.000 0.000 0.290 179 T C -0.864 174.039 174.700 0.339 0.000 1.066 179 T CA -0.720 61.581 62.100 0.335 0.000 1.012 179 T CB 1.611 70.645 68.868 0.276 0.000 1.184 179 T HN 1.065 nan 8.240 nan 0.000 0.522 180 S N -0.207 115.629 115.700 0.225 0.000 2.672 180 S HA 0.542 5.012 4.470 -0.000 0.000 0.271 180 S C -1.993 172.667 174.600 0.100 0.000 1.171 180 S CA -0.895 57.397 58.200 0.152 0.000 0.817 180 S CB 1.314 64.609 63.200 0.157 0.000 1.150 180 S HN 0.774 nan 8.310 nan 0.000 0.478 181 N N 1.895 120.633 118.700 0.064 0.000 2.314 181 N HA 0.323 5.063 4.740 -0.000 0.000 0.294 181 N C 0.506 176.039 175.510 0.038 0.000 1.029 181 N CA -0.522 52.556 53.050 0.048 0.000 0.845 181 N CB 1.803 40.310 38.487 0.034 0.000 1.321 181 N HN 0.496 nan 8.380 nan 0.000 0.481 182 L N 3.439 124.686 121.223 0.040 0.000 2.042 182 L HA -0.189 4.150 4.340 -0.000 0.000 0.210 182 L C 2.218 179.102 176.870 0.023 0.000 1.076 182 L CA 2.039 56.900 54.840 0.034 0.000 0.749 182 L CB -0.695 41.387 42.059 0.037 0.000 0.893 182 L HN 0.696 nan 8.230 nan 0.000 0.432 183 S N -1.704 114.009 115.700 0.022 0.000 2.371 183 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 183 S C 1.781 176.387 174.600 0.010 0.000 1.029 183 S CA 0.936 59.146 58.200 0.016 0.000 0.978 183 S CB -0.810 62.400 63.200 0.016 0.000 0.833 183 S HN 0.617 nan 8.310 nan 0.000 0.466 184 S N 0.257 115.962 115.700 0.009 0.000 2.523 184 S HA 0.572 5.042 4.470 -0.000 0.000 0.217 184 S C 1.260 175.856 174.600 -0.007 0.000 0.996 184 S CA 0.188 58.389 58.200 0.001 0.000 0.921 184 S CB -0.378 62.824 63.200 0.003 0.000 0.829 184 S HN 1.359 nan 8.310 nan 0.000 0.495 185 G N 0.917 109.714 108.800 -0.005 0.000 2.562 185 G HA2 0.318 4.278 3.960 -0.000 0.000 0.250 185 G HA3 0.318 4.278 3.960 -0.000 0.000 0.250 185 G C 0.332 175.222 174.900 -0.016 0.000 1.269 185 G CA -0.327 44.761 45.100 -0.020 0.000 0.919 185 G HN 2.102 nan 8.290 nan 0.000 0.574 186 G N -2.640 106.136 108.800 -0.040 0.000 2.663 186 G HA2 0.490 4.449 3.960 -0.000 0.000 0.686 186 G HA3 0.490 4.449 3.960 -0.000 0.000 0.686 186 G C -0.953 173.927 174.900 -0.033 0.000 1.288 186 G CA 0.233 45.310 45.100 -0.038 0.000 0.836 186 G HN 2.290 nan 8.290 nan 0.000 0.584 187 L N -0.178 121.018 121.223 -0.044 0.000 2.464 187 L HA 0.965 5.305 4.340 -0.000 0.000 0.266 187 L C -0.488 176.361 176.870 -0.034 0.000 0.965 187 L CA -0.958 53.860 54.840 -0.036 0.000 0.833 187 L CB 2.145 44.127 42.059 -0.128 0.000 1.296 187 L HN 1.107 nan 8.230 nan 0.000 0.405 188 R N 3.782 124.293 120.500 0.018 0.000 2.483 188 R HA 0.749 5.089 4.340 -0.000 0.000 0.303 188 R C -2.130 174.085 176.300 -0.141 0.000 0.987 188 R CA -0.583 55.433 56.100 -0.140 0.000 0.881 188 R CB 1.541 31.746 30.300 -0.158 0.000 1.177 188 R HN 0.392 nan 8.270 nan 0.000 0.451 189 V N 5.800 125.587 119.914 -0.212 0.000 2.427 189 V HA 0.550 4.670 4.120 -0.000 0.000 0.286 189 V C -0.714 175.239 176.094 -0.236 0.000 1.034 189 V CA -0.433 61.867 62.300 0.001 0.000 0.893 189 V CB 1.151 33.060 31.823 0.144 0.000 0.982 189 V HN 0.581 nan 8.190 nan 0.000 0.452 190 F N 2.294 122.325 119.950 0.136 0.000 2.403 190 F HA 0.532 5.059 4.527 -0.000 0.000 0.355 190 F C 0.061 175.991 175.800 0.215 0.000 1.119 190 F CA -0.803 57.260 58.000 0.104 0.000 1.007 190 F CB 1.275 40.261 39.000 -0.024 0.000 1.194 190 F HN 0.384 nan 8.300 nan 0.000 0.443 191 D N 0.952 121.568 120.400 0.361 0.000 2.181 191 D HA 0.406 5.045 4.640 -0.000 0.000 0.248 191 D C -0.633 175.845 176.300 0.296 0.000 1.020 191 D CA -0.229 53.962 54.000 0.317 0.000 0.891 191 D CB 1.965 42.876 40.800 0.185 0.000 1.187 191 D HN 0.347 nan 8.370 nan 0.000 0.443 192 S N 0.181 115.979 115.700 0.165 0.000 2.472 192 S HA 0.566 5.035 4.470 -0.000 0.000 0.303 192 S C 1.084 175.671 174.600 -0.023 0.000 1.099 192 S CA -0.624 57.590 58.200 0.022 0.000 1.077 192 S CB 1.375 64.406 63.200 -0.281 0.000 1.031 192 S HN 0.453 nan 8.310 nan 0.000 0.487 193 G N 2.265 111.064 108.800 -0.002 0.000 2.920 193 G HA2 0.087 4.047 3.960 -0.000 0.000 0.208 193 G HA3 0.087 4.047 3.960 -0.000 0.000 0.208 193 G C 0.869 175.747 174.900 -0.035 0.000 1.159 193 G CA 0.030 45.126 45.100 -0.007 0.000 0.784 193 G HN 0.786 nan 8.290 nan 0.000 0.535 194 E N -0.760 119.398 120.200 -0.070 0.000 2.415 194 E HA 0.323 4.673 4.350 -0.000 0.000 0.197 194 E C 1.328 177.859 176.600 -0.114 0.000 1.007 194 E CA 0.368 56.719 56.400 -0.082 0.000 0.890 194 E CB 0.694 30.342 29.700 -0.087 0.000 0.891 194 E HN 0.390 nan 8.360 nan 0.000 0.496 195 G N 0.003 108.701 108.800 -0.170 0.000 2.452 195 G HA2 0.125 4.085 3.960 -0.000 0.000 0.224 195 G HA3 0.125 4.085 3.960 -0.000 0.000 0.224 195 G C -1.175 173.558 174.900 -0.278 0.000 1.208 195 G CA -0.608 44.378 45.100 -0.189 0.000 0.946 195 G HN 0.004 nan 8.290 nan 0.000 0.481 196 S N -0.574 114.944 115.700 -0.302 0.000 2.536 196 S HA 0.753 5.223 4.470 -0.000 0.000 0.298 196 S C -1.115 173.256 174.600 -0.382 0.000 1.083 196 S CA -0.393 57.613 58.200 -0.323 0.000 0.995 196 S CB 1.338 64.395 63.200 -0.238 0.000 1.058 196 S HN 0.416 nan 8.310 nan 0.000 0.488 197 F N 1.879 121.751 119.950 -0.129 0.000 2.399 197 F HA 0.287 4.813 4.527 -0.000 0.000 0.342 197 F C 1.683 177.397 175.800 -0.143 0.000 1.106 197 F CA -0.149 57.780 58.000 -0.119 0.000 1.196 197 F CB 1.252 40.183 39.000 -0.115 0.000 1.163 197 F HN 0.702 nan 8.300 nan 0.000 0.547 198 S N -0.663 115.074 115.700 0.061 0.000 2.604 198 S HA 0.323 4.793 4.470 -0.000 0.000 0.235 198 S C -0.109 174.494 174.600 0.005 0.000 1.043 198 S CA 0.251 58.452 58.200 0.002 0.000 0.997 198 S CB -0.083 63.116 63.200 -0.001 0.000 0.956 198 S HN 0.575 nan 8.310 nan 0.000 0.535 199 S N -0.082 115.617 115.700 -0.002 0.000 2.567 199 S HA 0.856 5.326 4.470 -0.000 0.000 0.270 199 S C -1.083 173.448 174.600 -0.114 0.000 1.152 199 S CA -0.479 57.681 58.200 -0.066 0.000 0.835 199 S CB 1.151 64.297 63.200 -0.091 0.000 1.115 199 S HN 1.381 nan 8.310 nan 0.000 0.459 200 A N 0.361 123.075 122.820 -0.178 0.000 2.594 200 A HA 0.908 5.228 4.320 -0.000 0.000 0.296 200 A C -0.823 176.644 177.584 -0.196 0.000 1.061 200 A CA -0.377 51.544 52.037 -0.194 0.000 0.689 200 A CB 1.369 20.242 19.000 -0.211 0.000 1.280 200 A HN 1.731 nan 8.150 nan 0.000 0.406 201 S N 0.942 116.549 115.700 -0.155 0.000 2.543 201 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 201 S C -1.065 173.565 174.600 0.049 0.000 1.148 201 S CA -0.515 57.647 58.200 -0.063 0.000 0.914 201 S CB 0.570 63.691 63.200 -0.132 0.000 1.096 201 S HN 0.714 nan 8.310 nan 0.000 0.471 202 I N 4.409 124.998 120.570 0.032 0.000 2.471 202 I HA 0.213 4.383 4.170 -0.000 0.000 0.286 202 I C 1.047 177.091 176.117 -0.122 0.000 1.079 202 I CA -0.149 61.134 61.300 -0.028 0.000 1.398 202 I CB 1.217 39.190 38.000 -0.046 0.000 1.403 202 I HN 0.719 nan 8.210 nan 0.000 0.530 203 S N 6.426 122.004 115.700 -0.204 0.000 2.645 203 S HA 0.331 4.801 4.470 -0.000 0.000 0.266 203 S C -1.864 172.488 174.600 -0.414 0.000 1.258 203 S CA -1.144 56.732 58.200 -0.540 0.000 0.990 203 S CB 1.096 64.133 63.200 -0.271 0.000 0.967 203 S HN 0.382 nan 8.310 nan 0.000 0.556 204 P HA 0.066 nan 4.420 nan 0.000 0.219 204 P C 1.322 178.519 177.300 -0.170 0.000 1.146 204 P CA 1.299 64.239 63.100 -0.268 0.000 0.808 204 P CB -0.384 31.171 31.700 -0.243 0.000 0.779 205 G N -1.409 107.293 108.800 -0.162 0.000 2.848 205 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.208 205 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.208 205 G C 0.550 175.395 174.900 -0.091 0.000 1.152 205 G CA -0.032 45.005 45.100 -0.104 0.000 0.789 205 G HN 0.009 nan 8.290 nan 0.000 0.531 206 M N -1.055 118.480 119.600 -0.108 0.000 2.537 206 M HA -0.133 4.347 4.480 -0.000 0.000 0.205 206 M C 0.130 176.381 176.300 -0.081 0.000 0.450 206 M CA 1.010 56.260 55.300 -0.084 0.000 0.553 206 M CB -2.279 30.288 32.600 -0.055 0.000 2.046 206 M HN 0.342 nan 8.290 nan 0.000 0.797 207 K N -0.799 119.543 120.400 -0.098 0.000 2.313 207 K HA 0.816 5.136 4.320 -0.000 0.000 0.235 207 K C -0.065 176.460 176.600 -0.125 0.000 1.035 207 K CA -0.923 55.299 56.287 -0.108 0.000 0.868 207 K CB 2.205 34.650 32.500 -0.092 0.000 1.232 207 K HN -0.018 nan 8.250 nan 0.000 0.459 208 V N 1.666 121.475 119.914 -0.176 0.000 2.347 208 V HA 0.203 4.323 4.120 -0.000 0.000 0.280 208 V C -0.382 175.618 176.094 -0.156 0.000 1.021 208 V CA -0.685 61.501 62.300 -0.190 0.000 0.847 208 V CB 1.297 32.930 31.823 -0.317 0.000 0.990 208 V HN 0.719 nan 8.190 nan 0.000 0.444 209 T N 4.907 119.413 114.554 -0.081 0.000 2.771 209 T HA 0.718 5.068 4.350 -0.000 0.000 0.291 209 T C 0.132 174.753 174.700 -0.131 0.000 0.954 209 T CA -0.068 61.987 62.100 -0.075 0.000 1.045 209 T CB 1.292 70.146 68.868 -0.023 0.000 0.917 209 T HN 0.981 nan 8.240 nan 0.000 0.484 210 A N 2.325 125.086 122.820 -0.099 0.000 2.556 210 A HA 0.864 5.184 4.320 -0.000 0.000 0.294 210 A C 0.030 177.632 177.584 0.030 0.000 1.091 210 A CA -0.863 51.142 52.037 -0.052 0.000 0.704 210 A CB 1.490 20.462 19.000 -0.046 0.000 1.300 210 A HN 0.933 nan 8.150 nan 0.000 0.406 211 G N -0.204 108.620 108.800 0.040 0.000 2.338 211 G HA2 0.560 4.520 3.960 -0.000 0.000 0.298 211 G HA3 0.560 4.520 3.960 -0.000 0.000 0.298 211 G C -1.046 173.903 174.900 0.081 0.000 1.140 211 G CA -0.207 44.921 45.100 0.047 0.000 0.860 211 G HN 1.044 nan 8.290 nan 0.000 0.470 212 L N 1.563 122.795 121.223 0.015 0.000 2.319 212 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 212 L C -0.198 176.603 176.870 -0.114 0.000 1.005 212 L CA -0.647 54.110 54.840 -0.139 0.000 0.828 212 L CB 1.494 43.435 42.059 -0.196 0.000 1.227 212 L HN 0.563 nan 8.230 nan 0.000 0.415 213 E N 3.572 123.686 120.200 -0.142 0.000 2.134 213 E HA 0.447 4.797 4.350 -0.000 0.000 0.278 213 E C -0.289 176.241 176.600 -0.116 0.000 0.959 213 E CA -0.412 55.931 56.400 -0.095 0.000 0.783 213 E CB 1.213 30.868 29.700 -0.074 0.000 1.095 213 E HN 0.745 nan 8.360 nan 0.000 0.399 214 T N -0.980 113.525 114.554 -0.082 0.000 2.876 214 T HA 0.526 4.875 4.350 -0.000 0.000 0.277 214 T C 1.216 175.896 174.700 -0.034 0.000 0.997 214 T CA -0.143 61.914 62.100 -0.071 0.000 0.966 214 T CB 1.326 70.155 68.868 -0.065 0.000 1.312 214 T HN 0.315 nan 8.240 nan 0.000 0.598 215 A N 0.469 123.278 122.820 -0.020 0.000 1.902 215 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 215 A C 2.301 179.890 177.584 0.008 0.000 1.181 215 A CA 0.925 52.968 52.037 0.011 0.000 0.623 215 A CB -0.687 18.320 19.000 0.012 0.000 0.818 215 A HN 0.781 nan 8.150 nan 0.000 0.443 216 R N -0.434 120.057 120.500 -0.015 0.000 1.371 216 R HA 0.258 4.598 4.340 -0.000 0.000 0.100 216 R C 0.694 176.971 176.300 -0.039 0.000 1.357 216 R CA -0.176 55.909 56.100 -0.026 0.000 1.953 216 R CB -0.626 29.653 30.300 -0.035 0.000 0.918 216 R HN 0.542 nan 8.270 nan 0.000 0.642 217 E N 0.178 120.346 120.200 -0.055 0.000 2.342 217 E HA 0.368 4.718 4.350 -0.000 0.000 0.257 217 E C -1.218 175.349 176.600 -0.056 0.000 1.150 217 E CA -0.435 55.923 56.400 -0.071 0.000 0.926 217 E CB 1.265 30.910 29.700 -0.092 0.000 1.074 217 E HN 0.458 nan 8.360 nan 0.000 0.449 218 A N 2.204 124.994 122.820 -0.050 0.000 2.312 218 A HA 0.622 4.942 4.320 -0.000 0.000 0.328 218 A C -0.634 176.964 177.584 0.024 0.000 1.158 218 A CA -0.596 51.435 52.037 -0.011 0.000 0.821 218 A CB 0.741 19.753 19.000 0.021 0.000 1.170 218 A HN 0.714 nan 8.150 nan 0.000 0.490 219 R N 1.029 121.564 120.500 0.058 0.000 2.764 219 R HA 0.699 5.039 4.340 -0.000 0.000 0.270 219 R C -1.869 174.506 176.300 0.125 0.000 1.014 219 R CA -0.894 55.280 56.100 0.124 0.000 0.904 219 R CB 0.918 31.254 30.300 0.059 0.000 1.236 219 R HN 0.477 nan 8.270 nan 0.000 0.466 220 L N 1.991 123.297 121.223 0.139 0.000 2.292 220 L HA 0.588 4.928 4.340 -0.000 0.000 0.284 220 L C 0.079 176.962 176.870 0.022 0.000 1.065 220 L CA -0.890 53.961 54.840 0.019 0.000 0.806 220 L CB 1.590 43.583 42.059 -0.111 0.000 1.175 220 L HN 0.589 nan 8.230 nan 0.000 0.431 221 V N -0.424 119.503 119.914 0.022 0.000 3.160 221 V HA 0.681 4.800 4.120 -0.000 0.000 0.310 221 V C -0.417 175.677 176.094 -0.000 0.000 1.181 221 V CA -0.523 61.797 62.300 0.033 0.000 1.047 221 V CB 2.202 34.079 31.823 0.090 0.000 1.068 221 V HN 0.634 nan 8.190 nan 0.000 0.441 222 T N 1.728 116.275 114.554 -0.011 0.000 2.791 222 T HA 0.652 5.002 4.350 -0.000 0.000 0.288 222 T C -0.593 174.062 174.700 -0.075 0.000 0.999 222 T CA -0.286 61.785 62.100 -0.048 0.000 0.952 222 T CB 1.236 70.083 68.868 -0.034 0.000 0.938 222 T HN 0.757 nan 8.240 nan 0.000 0.444 223 V N 3.611 123.428 119.914 -0.163 0.000 2.398 223 V HA 0.360 4.479 4.120 -0.000 0.000 0.286 223 V C 0.068 176.006 176.094 -0.260 0.000 1.026 223 V CA -0.921 61.228 62.300 -0.252 0.000 0.868 223 V CB 1.651 33.165 31.823 -0.516 0.000 0.982 223 V HN 0.784 nan 8.190 nan 0.000 0.443 224 D N 6.560 126.859 120.400 -0.167 0.000 2.347 224 D HA 0.297 4.937 4.640 -0.000 0.000 0.235 224 D C -1.742 174.503 176.300 -0.091 0.000 1.149 224 D CA -2.005 51.932 54.000 -0.105 0.000 0.850 224 D CB 2.370 43.152 40.800 -0.029 0.000 1.061 224 D HN 0.193 nan 8.370 nan 0.000 0.487 225 P HA -0.108 nan 4.420 nan 0.000 0.216 225 P C 1.293 178.739 177.300 0.245 0.000 1.150 225 P CA 0.701 63.855 63.100 0.091 0.000 0.837 225 P CB 0.381 32.112 31.700 0.052 0.000 0.786 226 R N 0.231 120.801 120.500 0.116 0.000 2.105 226 R HA -0.124 4.216 4.340 -0.000 0.000 0.239 226 R C 1.128 177.492 176.300 0.108 0.000 1.135 226 R CA 1.888 58.046 56.100 0.097 0.000 0.967 226 R CB -1.257 29.074 30.300 0.050 0.000 0.861 226 R HN 0.422 nan 8.270 nan 0.000 0.442 227 D N -3.829 116.647 120.400 0.126 0.000 2.510 227 D HA 0.127 4.767 4.640 -0.000 0.000 0.234 227 D C 1.016 177.422 176.300 0.176 0.000 1.178 227 D CA 0.631 54.701 54.000 0.116 0.000 0.816 227 D CB 0.043 40.885 40.800 0.070 0.000 1.143 227 D HN 0.177 nan 8.370 nan 0.000 0.526 228 G N 0.921 109.894 108.800 0.289 0.000 2.179 228 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 228 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 228 G C 0.451 175.463 174.900 0.187 0.000 0.977 228 G CA 0.499 45.834 45.100 0.392 0.000 0.641 228 G HN 0.924 nan 8.290 nan 0.000 0.533 229 S N -0.907 114.856 115.700 0.105 0.000 2.568 229 S HA 0.560 5.030 4.470 -0.000 0.000 0.282 229 S C 0.125 174.751 174.600 0.043 0.000 1.338 229 S CA 0.152 58.393 58.200 0.068 0.000 1.045 229 S CB 2.381 65.607 63.200 0.043 0.000 0.873 229 S HN 1.208 nan 8.310 nan 0.000 0.516 230 V N 2.980 122.925 119.914 0.051 0.000 2.709 230 V HA 0.668 4.788 4.120 -0.000 0.000 0.308 230 V C -0.360 175.755 176.094 0.036 0.000 1.062 230 V CA -0.737 61.590 62.300 0.046 0.000 0.901 230 V CB 1.506 33.389 31.823 0.099 0.000 1.003 230 V HN 1.107 nan 8.190 nan 0.000 0.425 231 E N 1.443 121.657 120.200 0.023 0.000 2.356 231 E HA 0.537 4.887 4.350 -0.000 0.000 0.275 231 E C -1.739 174.871 176.600 0.017 0.000 0.904 231 E CA -1.040 55.371 56.400 0.018 0.000 0.757 231 E CB 2.032 31.738 29.700 0.010 0.000 1.232 231 E HN 0.451 nan 8.360 nan 0.000 0.442 232 D N 1.300 121.710 120.400 0.017 0.000 2.423 232 D HA 0.111 4.751 4.640 -0.000 0.000 0.238 232 D C -0.528 175.778 176.300 0.010 0.000 1.142 232 D CA 0.109 54.120 54.000 0.018 0.000 0.884 232 D CB 0.801 41.612 40.800 0.018 0.000 1.199 232 D HN 0.334 nan 8.370 nan 0.000 0.438 233 L N 2.020 123.247 121.223 0.007 0.000 2.287 233 L HA 0.218 4.558 4.340 -0.000 0.000 0.287 233 L C -0.395 176.474 176.870 -0.001 0.000 1.022 233 L CA -0.597 54.238 54.840 -0.007 0.000 0.814 233 L CB 1.010 43.050 42.059 -0.032 0.000 1.217 233 L HN 0.170 nan 8.230 nan 0.000 0.420 234 E N 5.358 125.559 120.200 0.001 0.000 2.191 234 E HA 0.467 4.817 4.350 -0.000 0.000 0.278 234 E C -0.774 175.826 176.600 -0.001 0.000 0.972 234 E CA -0.495 55.911 56.400 0.010 0.000 0.804 234 E CB 2.581 32.288 29.700 0.013 0.000 1.110 234 E HN 0.565 nan 8.360 nan 0.000 0.394 235 L N 3.264 124.489 121.223 0.004 0.000 2.334 235 L HA 0.327 4.666 4.340 -0.000 0.000 0.270 235 L C -1.427 175.451 176.870 0.012 0.000 1.018 235 L CA -1.993 52.842 54.840 -0.009 0.000 0.811 235 L CB 0.971 43.009 42.059 -0.036 0.000 1.271 235 L HN 0.248 nan 8.230 nan 0.000 0.443 236 P HA -0.137 nan 4.420 nan 0.000 0.213 236 P C 0.289 177.608 177.300 0.030 0.000 1.170 236 P CA 0.975 64.087 63.100 0.019 0.000 0.902 236 P CB 0.192 31.902 31.700 0.018 0.000 0.789 237 S N -0.696 115.030 115.700 0.043 0.000 2.554 237 S HA 0.174 4.644 4.470 -0.000 0.000 0.278 237 S C 0.835 175.479 174.600 0.074 0.000 1.242 237 S CA -0.559 57.678 58.200 0.062 0.000 1.051 237 S CB 0.197 63.447 63.200 0.083 0.000 0.986 237 S HN -0.149 nan 8.310 nan 0.000 0.502 238 K N 2.888 123.330 120.400 0.070 0.000 2.387 238 K HA 0.135 4.455 4.320 -0.000 0.000 0.198 238 K C 0.540 177.186 176.600 0.077 0.000 1.022 238 K CA 0.059 56.385 56.287 0.064 0.000 1.128 238 K CB -0.208 32.317 32.500 0.042 0.000 0.853 238 K HN 0.583 nan 8.250 nan 0.000 0.523 239 D N 0.837 121.315 120.400 0.130 0.000 2.104 239 D HA -0.187 4.453 4.640 -0.000 0.000 0.194 239 D C 1.562 177.919 176.300 0.095 0.000 0.994 239 D CA 0.940 55.059 54.000 0.199 0.000 0.830 239 D CB -0.224 40.783 40.800 0.344 0.000 0.959 239 D HN 0.166 nan 8.370 nan 0.000 0.452 240 F N 2.064 121.829 119.950 -0.309 0.000 2.065 240 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 240 F C 2.534 178.115 175.800 -0.365 0.000 1.112 240 F CA 2.310 59.765 58.000 -0.909 0.000 1.212 240 F CB -0.519 37.990 39.000 -0.819 0.000 0.975 240 F HN -0.003 nan 8.300 nan 0.000 0.476 241 S N -0.417 115.145 115.700 -0.230 0.000 2.382 241 S HA -0.202 4.267 4.470 -0.000 0.000 0.228 241 S C 2.122 176.598 174.600 -0.208 0.000 1.027 241 S CA 1.186 59.237 58.200 -0.248 0.000 0.991 241 S CB -1.364 61.812 63.200 -0.040 0.000 0.823 241 S HN 0.557 nan 8.310 nan 0.000 0.469 242 S N -0.066 115.575 115.700 -0.098 0.000 2.522 242 S HA 0.002 4.471 4.470 -0.000 0.000 0.227 242 S C 1.540 176.130 174.600 -0.017 0.000 0.986 242 S CA 0.259 58.434 58.200 -0.043 0.000 0.929 242 S CB -0.853 62.355 63.200 0.014 0.000 0.769 242 S HN 0.636 nan 8.310 nan 0.000 0.529 243 Y N 2.726 122.908 120.300 -0.196 0.000 2.457 243 Y HA 0.229 4.779 4.550 -0.000 0.000 0.292 243 Y C 0.701 176.491 175.900 -0.183 0.000 1.125 243 Y CA 0.389 58.414 58.100 -0.125 0.000 1.254 243 Y CB -0.315 38.103 38.460 -0.070 0.000 1.012 243 Y HN 0.189 nan 8.280 nan 0.000 0.555 244 R N 0.463 120.781 120.500 -0.303 0.000 3.127 244 R HA -0.163 4.177 4.340 -0.000 0.000 0.247 244 R C -2.638 173.421 176.300 -0.403 0.000 0.896 244 R CA 0.307 56.208 56.100 -0.332 0.000 0.624 244 R CB -1.930 28.222 30.300 -0.247 0.000 1.154 244 R HN 0.341 nan 8.270 nan 0.000 0.474 245 P HA -0.058 nan 4.420 nan 0.000 0.269 245 P C 0.388 177.609 177.300 -0.132 0.000 1.215 245 P CA 0.171 63.171 63.100 -0.167 0.000 0.780 245 P CB 1.253 33.000 31.700 0.079 0.000 0.898 246 T N -0.809 113.688 114.554 -0.096 0.000 2.990 246 T HA 0.408 4.758 4.350 -0.000 0.000 0.250 246 T C 0.337 175.008 174.700 -0.049 0.000 1.041 246 T CA 0.348 62.395 62.100 -0.087 0.000 1.010 246 T CB -0.186 68.608 68.868 -0.124 0.000 1.003 246 T HN 0.647 nan 8.240 nan 0.000 0.499 247 A N 0.483 123.301 122.820 -0.003 0.000 2.572 247 A HA 0.745 5.065 4.320 -0.000 0.000 0.295 247 A C -1.585 176.062 177.584 0.105 0.000 1.072 247 A CA -0.733 51.319 52.037 0.025 0.000 0.691 247 A CB 1.204 20.197 19.000 -0.012 0.000 1.291 247 A HN 0.386 nan 8.150 nan 0.000 0.404 248 I N 1.902 122.534 120.570 0.103 0.000 2.411 248 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 248 I C 0.959 177.152 176.117 0.127 0.000 1.012 248 I CA -0.424 60.966 61.300 0.150 0.000 1.119 248 I CB 2.101 40.180 38.000 0.131 0.000 1.261 248 I HN 0.794 nan 8.210 nan 0.000 0.448 249 T N 4.251 118.909 114.554 0.173 0.000 2.701 249 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 249 T C -0.145 174.716 174.700 0.268 0.000 1.040 249 T CA 1.393 63.604 62.100 0.185 0.000 1.147 249 T CB 0.066 69.052 68.868 0.197 0.000 0.865 249 T HN 0.669 nan 8.240 nan 0.000 0.426 250 W N 0.623 121.944 121.300 0.036 0.000 3.153 250 W HA 0.471 5.130 4.660 -0.000 0.000 0.316 250 W C -2.618 173.895 176.519 -0.011 0.000 1.255 250 W CA -1.388 55.965 57.345 0.012 0.000 1.192 250 W CB 0.857 30.329 29.460 0.019 0.000 1.400 250 W HN 0.135 nan 8.180 nan 0.000 0.568 251 L N 2.441 122.984 121.223 -1.134 0.000 2.582 251 L HA 1.106 5.446 4.340 -0.000 0.000 0.257 251 L C -0.618 175.157 176.870 -1.825 0.000 0.974 251 L CA -0.466 53.648 54.840 -1.210 0.000 0.851 251 L CB 1.705 43.395 42.059 -0.616 0.000 1.424 251 L HN 0.955 nan 8.230 nan 0.000 0.412 252 G N -0.067 107.899 108.800 -1.390 0.000 2.616 252 G HA2 0.473 4.433 3.960 -0.000 0.000 0.294 252 G HA3 0.473 4.433 3.960 -0.000 0.000 0.294 252 G C -2.213 172.438 174.900 -0.417 0.000 1.489 252 G CA -0.698 43.926 45.100 -0.792 0.000 0.836 252 G HN 0.590 nan 8.290 nan 0.000 0.527 253 Y N 0.535 120.770 120.300 -0.108 0.000 2.319 253 Y HA 0.510 5.060 4.550 -0.000 0.000 0.328 253 Y C 1.263 177.172 175.900 0.016 0.000 1.133 253 Y CA -0.276 57.791 58.100 -0.054 0.000 1.265 253 Y CB 1.078 39.490 38.460 -0.080 0.000 1.218 253 Y HN 0.297 nan 8.280 nan 0.000 0.508 254 L N 5.125 126.422 121.223 0.124 0.000 2.439 254 L HA 0.254 4.594 4.340 -0.000 0.000 0.259 254 L C -1.441 175.346 176.870 -0.139 0.000 1.129 254 L CA -1.923 52.925 54.840 0.014 0.000 0.803 254 L CB 0.591 42.674 42.059 0.040 0.000 1.161 254 L HN 0.439 nan 8.230 nan 0.000 0.462 255 P HA -0.182 nan 4.420 nan 0.000 0.216 255 P C 0.490 177.693 177.300 -0.162 0.000 1.150 255 P CA 1.183 64.068 63.100 -0.360 0.000 0.843 255 P CB -0.022 31.382 31.700 -0.494 0.000 0.787 256 D N -2.127 118.207 120.400 -0.110 0.000 2.352 256 D HA 0.080 4.720 4.640 -0.000 0.000 0.232 256 D C 1.427 177.712 176.300 -0.026 0.000 1.055 256 D CA 0.729 54.696 54.000 -0.056 0.000 0.891 256 D CB -1.065 39.714 40.800 -0.036 0.000 0.897 256 D HN 0.242 nan 8.370 nan 0.000 0.529 257 G N -0.021 108.772 108.800 -0.011 0.000 2.225 257 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 257 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 257 G C 0.414 175.390 174.900 0.125 0.000 0.988 257 G CA -0.033 45.090 45.100 0.038 0.000 0.625 257 G HN 0.474 nan 8.290 nan 0.000 0.527 258 R N -0.225 120.321 120.500 0.076 0.000 2.643 258 R HA 0.466 4.806 4.340 -0.000 0.000 0.270 258 R C 0.026 176.346 176.300 0.035 0.000 1.061 258 R CA -0.478 55.658 56.100 0.060 0.000 1.107 258 R CB 0.779 31.096 30.300 0.029 0.000 0.999 258 R HN 0.252 nan 8.270 nan 0.000 0.460 259 L N 2.368 123.550 121.223 -0.068 0.000 2.260 259 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 259 L C -0.631 176.115 176.870 -0.208 0.000 1.057 259 L CA 0.040 54.687 54.840 -0.322 0.000 0.811 259 L CB 1.054 42.851 42.059 -0.437 0.000 1.184 259 L HN 0.712 nan 8.230 nan 0.000 0.429 260 A N 5.461 128.175 122.820 -0.177 0.000 2.274 260 A HA 0.736 5.056 4.320 -0.000 0.000 0.309 260 A C -0.925 176.629 177.584 -0.050 0.000 1.226 260 A CA -0.476 51.568 52.037 0.011 0.000 0.853 260 A CB 0.818 19.971 19.000 0.256 0.000 1.146 260 A HN 0.553 nan 8.150 nan 0.000 0.518 261 V N 3.225 123.165 119.914 0.043 0.000 2.588 261 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 261 V C -0.567 175.699 176.094 0.286 0.000 1.042 261 V CA -0.533 61.793 62.300 0.043 0.000 0.877 261 V CB 1.884 33.570 31.823 -0.229 0.000 0.996 261 V HN 0.635 nan 8.190 nan 0.000 0.425 262 V N 4.030 124.150 119.914 0.344 0.000 2.378 262 V HA 0.882 5.002 4.120 -0.000 0.000 0.288 262 V C 0.284 176.585 176.094 0.345 0.000 1.016 262 V CA -0.142 62.364 62.300 0.343 0.000 0.840 262 V CB 1.323 33.345 31.823 0.332 0.000 0.994 262 V HN 1.059 nan 8.190 nan 0.000 0.431 263 A N 6.021 129.087 122.820 0.409 0.000 2.437 263 A HA 1.094 5.414 4.320 -0.000 0.000 0.292 263 A C -0.434 177.399 177.584 0.415 0.000 1.173 263 A CA -0.859 51.430 52.037 0.421 0.000 0.785 263 A CB 2.143 21.494 19.000 0.584 0.000 1.351 263 A HN 0.938 nan 8.150 nan 0.000 0.431 264 R N -0.787 119.946 120.500 0.388 0.000 2.747 264 R HA 0.813 5.153 4.340 -0.000 0.000 0.272 264 R C -1.448 174.954 176.300 0.170 0.000 1.032 264 R CA -1.026 55.281 56.100 0.344 0.000 0.896 264 R CB 1.391 31.802 30.300 0.184 0.000 1.253 264 R HN 0.979 nan 8.270 nan 0.000 0.461 265 R N -0.160 120.398 120.500 0.096 0.000 2.604 265 R HA 0.279 4.619 4.340 -0.000 0.000 0.261 265 R C -1.149 175.154 176.300 0.006 0.000 1.080 265 R CA -1.020 55.046 56.100 -0.057 0.000 0.917 265 R CB 1.423 31.620 30.300 -0.172 0.000 1.252 265 R HN 0.857 nan 8.270 nan 0.000 0.456 266 E N 0.648 120.826 120.200 -0.036 0.000 2.328 266 E HA -0.296 4.054 4.350 -0.000 0.000 0.233 266 E C 0.558 177.307 176.600 0.248 0.000 1.219 266 E CA 0.994 57.502 56.400 0.181 0.000 0.717 266 E CB -1.389 28.470 29.700 0.266 0.000 1.210 266 E HN 1.181 nan 8.360 nan 0.000 0.381 267 G N -0.119 108.764 108.800 0.138 0.000 2.159 267 G HA2 -0.358 3.601 3.960 -0.000 0.000 0.256 267 G HA3 -0.358 3.601 3.960 -0.000 0.000 0.256 267 G C 0.179 175.135 174.900 0.092 0.000 0.977 267 G CA 0.614 45.810 45.100 0.159 0.000 0.652 267 G HN 0.312 nan 8.290 nan 0.000 0.531 268 R N -0.042 120.534 120.500 0.127 0.000 2.744 268 R HA 0.660 5.000 4.340 -0.000 0.000 0.279 268 R C 0.073 176.482 176.300 0.181 0.000 0.977 268 R CA 0.016 56.194 56.100 0.129 0.000 0.906 268 R CB 1.949 32.350 30.300 0.169 0.000 1.197 268 R HN 0.414 nan 8.270 nan 0.000 0.463 269 S N 0.588 116.391 115.700 0.171 0.000 2.704 269 S HA 0.909 5.379 4.470 -0.000 0.000 0.305 269 S C -0.707 174.057 174.600 0.272 0.000 1.107 269 S CA -0.797 57.556 58.200 0.254 0.000 0.993 269 S CB 2.208 65.547 63.200 0.232 0.000 1.110 269 S HN 0.685 nan 8.310 nan 0.000 0.534 270 A N 0.430 123.326 122.820 0.126 0.000 2.539 270 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 270 A C -1.197 176.187 177.584 -0.333 0.000 1.073 270 A CA -0.786 51.107 52.037 -0.240 0.000 0.700 270 A CB 1.540 20.134 19.000 -0.677 0.000 1.296 270 A HN 0.935 nan 8.150 nan 0.000 0.405 271 V N 1.390 120.945 119.914 -0.599 0.000 2.435 271 V HA 0.648 4.768 4.120 -0.000 0.000 0.290 271 V C -1.123 174.558 176.094 -0.688 0.000 1.030 271 V CA -0.148 61.891 62.300 -0.435 0.000 0.881 271 V CB 0.743 32.359 31.823 -0.345 0.000 0.983 271 V HN 0.665 nan 8.190 nan 0.000 0.445 272 F N 4.514 124.449 119.950 -0.024 0.000 2.551 272 F HA 0.656 5.183 4.527 -0.000 0.000 0.316 272 F C -0.259 175.520 175.800 -0.035 0.000 1.089 272 F CA -0.872 57.117 58.000 -0.018 0.000 0.915 272 F CB 1.926 40.946 39.000 0.033 0.000 1.186 272 F HN 0.146 nan 8.300 nan 0.000 0.456 273 I N 2.808 123.457 120.570 0.132 0.000 2.411 273 I HA 0.222 4.392 4.170 -0.000 0.000 0.284 273 I C -0.408 175.739 176.117 0.049 0.000 1.012 273 I CA -0.590 60.746 61.300 0.059 0.000 1.119 273 I CB 1.209 39.230 38.000 0.035 0.000 1.261 273 I HN 0.641 nan 8.210 nan 0.000 0.448 274 D N 5.419 125.819 120.400 0.001 0.000 2.751 274 D HA -0.194 4.446 4.640 -0.000 0.000 0.233 274 D C 1.302 177.612 176.300 0.017 0.000 1.149 274 D CA 1.651 55.644 54.000 -0.011 0.000 0.682 274 D CB -0.747 40.058 40.800 0.008 0.000 1.068 274 D HN 1.137 nan 8.370 nan 0.000 0.429 275 G N -0.259 108.562 108.800 0.035 0.000 2.199 275 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.254 275 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.254 275 G C 0.133 175.178 174.900 0.242 0.000 0.982 275 G CA 0.464 45.622 45.100 0.097 0.000 0.632 275 G HN 0.547 nan 8.290 nan 0.000 0.529 276 E N 0.450 120.780 120.200 0.216 0.000 2.227 276 E HA 0.548 4.898 4.350 -0.000 0.000 0.282 276 E C 0.624 177.357 176.600 0.221 0.000 1.015 276 E CA -0.994 55.528 56.400 0.203 0.000 0.823 276 E CB 0.594 30.352 29.700 0.096 0.000 1.081 276 E HN 0.249 nan 8.360 nan 0.000 0.396 277 R N 2.502 123.105 120.500 0.172 0.000 2.590 277 R HA 0.148 4.488 4.340 -0.000 0.000 0.274 277 R C -1.396 174.799 176.300 -0.175 0.000 1.061 277 R CA 0.066 56.070 56.100 -0.159 0.000 1.081 277 R CB 0.633 30.869 30.300 -0.108 0.000 0.984 277 R HN 0.224 nan 8.270 nan 0.000 0.448 278 V N 4.888 124.625 119.914 -0.296 0.000 2.444 278 V HA 0.234 4.354 4.120 -0.000 0.000 0.294 278 V C -0.172 175.779 176.094 -0.239 0.000 1.022 278 V CA -0.837 61.343 62.300 -0.201 0.000 0.850 278 V CB 1.590 33.311 31.823 -0.170 0.000 0.992 278 V HN 0.851 nan 8.190 nan 0.000 0.426 279 E N 2.789 122.889 120.200 -0.166 0.000 2.442 279 E HA 0.447 4.797 4.350 -0.000 0.000 0.262 279 E C 0.015 176.501 176.600 -0.189 0.000 1.004 279 E CA 0.300 56.607 56.400 -0.154 0.000 0.928 279 E CB 0.954 30.596 29.700 -0.096 0.000 0.937 279 E HN 0.863 nan 8.360 nan 0.000 0.446 280 A N 3.946 126.648 122.820 -0.197 0.000 2.604 280 A HA 0.508 4.828 4.320 -0.000 0.000 0.295 280 A C -2.663 174.850 177.584 -0.119 0.000 1.067 280 A CA -1.441 50.453 52.037 -0.238 0.000 0.683 280 A CB 1.047 19.715 19.000 -0.554 0.000 1.281 280 A HN 0.366 nan 8.150 nan 0.000 0.407 281 P HA 0.100 nan 4.420 nan 0.000 0.264 281 P C -0.344 176.924 177.300 -0.054 0.000 1.183 281 P CA 0.154 63.093 63.100 -0.268 0.000 0.763 281 P CB 0.370 31.590 31.700 -0.801 0.000 0.807 282 Q N 1.636 121.460 119.800 0.039 0.000 2.286 282 Q HA 0.324 4.664 4.340 -0.000 0.000 0.290 282 Q C 0.683 176.843 176.000 0.266 0.000 1.049 282 Q CA 1.108 57.003 55.803 0.152 0.000 0.923 282 Q CB -0.119 28.691 28.738 0.119 0.000 1.183 282 Q HN 0.766 nan 8.270 nan 0.000 0.383 283 G N 3.506 112.406 108.800 0.166 0.000 2.217 283 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.126 283 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.126 283 G C -1.266 173.544 174.900 -0.150 0.000 1.293 283 G CA -0.618 44.510 45.100 0.045 0.000 1.219 283 G HN 0.640 nan 8.290 nan 0.000 0.477 284 N N 0.639 119.139 118.700 -0.334 0.000 2.240 284 N HA 0.589 5.328 4.740 -0.000 0.000 0.302 284 N C -1.370 173.769 175.510 -0.620 0.000 1.106 284 N CA -0.531 52.279 53.050 -0.401 0.000 0.778 284 N CB 1.613 39.986 38.487 -0.189 0.000 1.431 284 N HN 0.567 nan 8.380 nan 0.000 0.479 285 H N -0.552 118.547 119.070 0.048 0.000 2.731 285 H HA 0.504 5.060 4.556 -0.000 0.000 0.368 285 H C 0.415 175.725 175.328 -0.030 0.000 1.168 285 H CA -0.626 55.434 56.048 0.020 0.000 1.181 285 H CB 1.924 31.697 29.762 0.019 0.000 1.743 285 H HN 0.666 nan 8.280 nan 0.000 0.547 286 G N 0.077 108.883 108.800 0.011 0.000 3.019 286 G HA2 0.262 4.222 3.960 -0.000 0.000 0.152 286 G HA3 0.262 4.222 3.960 -0.000 0.000 0.152 286 G C -0.050 174.647 174.900 -0.338 0.000 1.320 286 G CA -0.859 44.165 45.100 -0.127 0.000 1.013 286 G HN 0.630 nan 8.290 nan 0.000 0.593 287 R N -1.154 118.954 120.500 -0.653 0.000 2.738 287 R HA 0.413 4.753 4.340 -0.000 0.000 0.268 287 R C -1.169 174.639 176.300 -0.819 0.000 1.062 287 R CA -0.271 54.999 56.100 -1.383 0.000 1.158 287 R CB 0.660 30.125 30.300 -1.392 0.000 1.046 287 R HN 0.134 nan 8.270 nan 0.000 0.493 288 V N 2.777 122.162 119.914 -0.883 0.000 2.495 288 V HA 0.422 4.542 4.120 -0.000 0.000 0.298 288 V C -0.021 176.045 176.094 -0.045 0.000 1.031 288 V CA -0.700 61.457 62.300 -0.239 0.000 0.871 288 V CB 1.474 33.302 31.823 0.008 0.000 0.988 288 V HN 0.736 nan 8.190 nan 0.000 0.432 289 V N 3.347 123.283 119.914 0.036 0.000 3.001 289 V HA 0.681 4.801 4.120 -0.000 0.000 0.314 289 V C -0.983 175.266 176.094 0.259 0.000 1.099 289 V CA -0.955 61.466 62.300 0.201 0.000 0.989 289 V CB 2.284 34.163 31.823 0.093 0.000 1.040 289 V HN 0.658 nan 8.190 nan 0.000 0.434 290 L N 3.754 125.207 121.223 0.382 0.000 2.265 290 L HA 0.590 4.929 4.340 -0.000 0.000 0.289 290 L C -1.559 175.555 176.870 0.407 0.000 1.033 290 L CA -0.057 54.956 54.840 0.288 0.000 0.814 290 L CB 1.045 43.201 42.059 0.161 0.000 1.203 290 L HN 1.087 nan 8.230 nan 0.000 0.423 291 W N 7.297 128.670 121.300 0.123 0.000 2.499 291 W HA 0.471 5.131 4.660 -0.000 0.000 0.320 291 W C 0.287 176.850 176.519 0.075 0.000 1.010 291 W CA -0.806 56.606 57.345 0.111 0.000 1.267 291 W CB 0.596 30.111 29.460 0.092 0.000 1.316 291 W HN 0.738 nan 8.180 nan 0.000 0.431 292 R N 4.656 124.961 120.500 -0.325 0.000 3.336 292 R HA -0.186 4.154 4.340 -0.000 0.000 0.260 292 R C 1.201 177.383 176.300 -0.198 0.000 1.032 292 R CA 1.201 57.060 56.100 -0.401 0.000 0.693 292 R CB -1.612 28.213 30.300 -0.790 0.000 1.134 292 R HN 1.402 nan 8.270 nan 0.000 0.433 293 G N -0.595 108.159 108.800 -0.077 0.000 2.196 293 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.268 293 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.268 293 G C 0.141 175.037 174.900 -0.008 0.000 0.975 293 G CA 1.215 46.292 45.100 -0.038 0.000 0.648 293 G HN 0.429 nan 8.290 nan 0.000 0.538 294 K N -0.241 120.166 120.400 0.012 0.000 2.156 294 K HA 0.691 5.011 4.320 -0.000 0.000 0.250 294 K C 0.277 176.955 176.600 0.131 0.000 0.955 294 K CA -0.912 55.412 56.287 0.061 0.000 0.855 294 K CB 1.662 34.199 32.500 0.061 0.000 1.101 294 K HN 0.115 nan 8.250 nan 0.000 0.434 295 L N 2.497 123.777 121.223 0.094 0.000 2.305 295 L HA 0.349 4.688 4.340 -0.000 0.000 0.281 295 L C -0.505 176.417 176.870 0.088 0.000 1.085 295 L CA -0.726 54.167 54.840 0.088 0.000 0.813 295 L CB 0.975 43.056 42.059 0.036 0.000 1.157 295 L HN 0.260 nan 8.230 nan 0.000 0.436 296 V N 2.296 122.261 119.914 0.084 0.000 2.789 296 V HA 0.667 4.787 4.120 -0.000 0.000 0.311 296 V C -0.153 175.919 176.094 -0.036 0.000 1.073 296 V CA -0.383 61.936 62.300 0.032 0.000 0.921 296 V CB 2.343 34.193 31.823 0.046 0.000 1.009 296 V HN 0.852 nan 8.190 nan 0.000 0.426 297 T N 1.540 116.058 114.554 -0.060 0.000 2.754 297 T HA 0.596 4.946 4.350 -0.000 0.000 0.296 297 T C -0.644 174.029 174.700 -0.045 0.000 1.205 297 T CA 0.074 62.129 62.100 -0.075 0.000 1.009 297 T CB 1.980 70.817 68.868 -0.051 0.000 1.368 297 T HN 1.004 nan 8.240 nan 0.000 0.509 298 S N 0.922 116.604 115.700 -0.029 0.000 2.651 298 S HA 0.752 5.222 4.470 -0.000 0.000 0.291 298 S C -0.855 173.811 174.600 0.110 0.000 1.141 298 S CA -0.460 57.738 58.200 -0.003 0.000 1.027 298 S CB 1.283 64.453 63.200 -0.050 0.000 1.043 298 S HN 0.981 nan 8.310 nan 0.000 0.530 299 H N -0.572 118.489 119.070 -0.015 0.000 2.996 299 H HA 0.709 5.265 4.556 -0.000 0.000 0.368 299 H C -0.980 174.311 175.328 -0.062 0.000 1.185 299 H CA -0.093 55.939 56.048 -0.026 0.000 1.160 299 H CB 2.030 31.820 29.762 0.048 0.000 1.820 299 H HN 0.888 nan 8.280 nan 0.000 0.547 300 T N 2.354 116.319 114.554 -0.981 0.000 2.821 300 T HA 0.659 5.009 4.350 -0.000 0.000 0.306 300 T C -1.583 172.768 174.700 -0.582 0.000 1.313 300 T CA 0.060 61.760 62.100 -0.667 0.000 1.012 300 T CB 0.720 69.442 68.868 -0.242 0.000 1.298 300 T HN 1.100 nan 8.240 nan 0.000 0.502 301 S N 1.769 117.330 115.700 -0.233 0.000 2.611 301 S HA 0.452 4.922 4.470 -0.000 0.000 0.268 301 S C 0.795 175.439 174.600 0.072 0.000 1.156 301 S CA -0.895 57.264 58.200 -0.069 0.000 0.817 301 S CB 0.511 63.725 63.200 0.022 0.000 1.122 301 S HN 0.651 nan 8.310 nan 0.000 0.466 302 L N 1.428 122.677 121.223 0.044 0.000 2.263 302 L HA -0.069 4.271 4.340 -0.000 0.000 0.216 302 L C 2.210 179.204 176.870 0.206 0.000 1.111 302 L CA 1.706 56.578 54.840 0.054 0.000 0.773 302 L CB -0.470 41.589 42.059 0.001 0.000 0.906 302 L HN 0.923 nan 8.230 nan 0.000 0.439 303 S N -3.851 111.999 115.700 0.250 0.000 2.578 303 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 303 S C 0.533 175.297 174.600 0.273 0.000 0.994 303 S CA -0.490 57.902 58.200 0.320 0.000 0.956 303 S CB 0.417 63.731 63.200 0.191 0.000 0.870 303 S HN 0.117 nan 8.310 nan 0.000 0.494 304 T N 4.574 119.262 114.554 0.223 0.000 2.934 304 T HA 0.468 4.818 4.350 -0.000 0.000 0.328 304 T C -3.039 171.550 174.700 -0.185 0.000 1.068 304 T CA -1.359 60.731 62.100 -0.015 0.000 1.018 304 T CB 1.608 70.469 68.868 -0.011 0.000 1.009 304 T HN 0.019 nan 8.240 nan 0.000 0.471 305 P HA 0.151 nan 4.420 nan 0.000 0.267 305 P C -2.533 174.538 177.300 -0.382 0.000 1.200 305 P CA -1.123 61.432 63.100 -0.908 0.000 0.772 305 P CB -0.305 30.730 31.700 -1.109 0.000 0.855 306 P HA -0.060 nan 4.420 nan 0.000 0.257 306 P C -0.220 177.041 177.300 -0.066 0.000 1.162 306 P CA 0.929 63.947 63.100 -0.138 0.000 0.762 306 P CB 0.127 31.774 31.700 -0.089 0.000 0.753 307 R N 2.922 123.401 120.500 -0.036 0.000 2.855 307 R HA 0.707 5.046 4.340 -0.000 0.000 0.266 307 R C -1.106 175.180 176.300 -0.023 0.000 1.034 307 R CA -1.051 55.057 56.100 0.015 0.000 0.944 307 R CB 1.167 31.463 30.300 -0.006 0.000 1.219 307 R HN 0.068 nan 8.270 nan 0.000 0.474 308 I N 2.347 122.842 120.570 -0.126 0.000 2.377 308 I HA 0.428 4.598 4.170 -0.000 0.000 0.293 308 I C 0.247 176.270 176.117 -0.156 0.000 0.987 308 I CA -0.801 60.392 61.300 -0.177 0.000 1.185 308 I CB 1.272 39.060 38.000 -0.353 0.000 1.341 308 I HN 0.652 nan 8.210 nan 0.000 0.455 309 V N 2.454 122.315 119.914 -0.088 0.000 3.130 309 V HA 0.739 4.859 4.120 -0.000 0.000 0.310 309 V C -0.262 175.806 176.094 -0.043 0.000 1.158 309 V CA -0.769 61.493 62.300 -0.063 0.000 1.029 309 V CB 1.866 33.670 31.823 -0.030 0.000 1.057 309 V HN 0.747 nan 8.190 nan 0.000 0.436 310 S N 1.864 117.553 115.700 -0.018 0.000 2.554 310 S HA 0.779 5.249 4.470 -0.000 0.000 0.278 310 S C -0.634 173.956 174.600 -0.017 0.000 1.242 310 S CA -0.613 57.597 58.200 0.018 0.000 1.051 310 S CB 0.467 63.700 63.200 0.055 0.000 0.986 310 S HN 0.750 nan 8.310 nan 0.000 0.502 311 L N 5.026 126.238 121.223 -0.018 0.000 2.342 311 L HA 0.528 4.868 4.340 -0.000 0.000 0.271 311 L C -1.420 175.429 176.870 -0.034 0.000 1.008 311 L CA -2.025 52.783 54.840 -0.054 0.000 0.818 311 L CB 2.186 44.192 42.059 -0.088 0.000 1.296 311 L HN 0.589 nan 8.230 nan 0.000 0.427 312 P HA -0.014 nan 4.420 nan 0.000 0.251 312 P C 1.176 178.440 177.300 -0.061 0.000 1.223 312 P CA 0.340 63.399 63.100 -0.069 0.000 0.796 312 P CB 0.475 32.136 31.700 -0.065 0.000 1.068 313 S N 0.284 115.960 115.700 -0.041 0.000 2.383 313 S HA -0.025 4.445 4.470 -0.000 0.000 0.229 313 S C 1.914 176.486 174.600 -0.047 0.000 1.030 313 S CA 1.518 59.697 58.200 -0.035 0.000 1.002 313 S CB -1.707 61.482 63.200 -0.018 0.000 0.829 313 S HN 0.315 nan 8.310 nan 0.000 0.467 314 G N 0.605 109.370 108.800 -0.057 0.000 2.157 314 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.248 314 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.248 314 G C -0.228 174.640 174.900 -0.053 0.000 0.979 314 G CA 0.148 45.202 45.100 -0.077 0.000 0.650 314 G HN 0.550 nan 8.290 nan 0.000 0.529 315 E N 1.575 121.756 120.200 -0.031 0.000 2.384 315 E HA 0.266 4.616 4.350 -0.000 0.000 0.266 315 E C -2.042 174.540 176.600 -0.029 0.000 1.012 315 E CA -1.240 55.148 56.400 -0.020 0.000 0.901 315 E CB 1.043 30.743 29.700 -0.001 0.000 0.967 315 E HN 0.357 nan 8.360 nan 0.000 0.435 316 P HA 0.156 nan 4.420 nan 0.000 0.286 316 P C 0.330 177.563 177.300 -0.112 0.000 1.269 316 P CA -0.137 62.917 63.100 -0.076 0.000 0.787 316 P CB 1.022 32.683 31.700 -0.066 0.000 0.920 317 L N 2.053 123.146 121.223 -0.216 0.000 2.221 317 L HA 0.215 4.555 4.340 -0.000 0.000 0.202 317 L C 0.625 177.164 176.870 -0.552 0.000 1.074 317 L CA 0.788 55.417 54.840 -0.352 0.000 0.795 317 L CB -0.107 41.606 42.059 -0.576 0.000 0.960 317 L HN 0.291 nan 8.230 nan 0.000 0.458 318 L N 0.593 121.465 121.223 -0.586 0.000 2.441 318 L HA 0.448 4.788 4.340 -0.000 0.000 0.270 318 L C -0.813 175.775 176.870 -0.471 0.000 0.973 318 L CA -0.167 54.234 54.840 -0.732 0.000 0.842 318 L CB 1.613 42.943 42.059 -1.215 0.000 1.239 318 L HN 0.072 nan 8.230 nan 0.000 0.406 319 E N 2.454 122.502 120.200 -0.253 0.000 2.321 319 E HA 0.626 4.976 4.350 -0.000 0.000 0.281 319 E C -0.913 175.702 176.600 0.026 0.000 0.910 319 E CA -0.700 55.670 56.400 -0.051 0.000 0.770 319 E CB 1.757 31.413 29.700 -0.073 0.000 1.225 319 E HN 0.703 nan 8.360 nan 0.000 0.417 320 G N 2.102 110.935 108.800 0.055 0.000 2.339 320 G HA2 0.501 4.461 3.960 -0.000 0.000 0.287 320 G HA3 0.501 4.461 3.960 -0.000 0.000 0.287 320 G C 0.140 174.984 174.900 -0.092 0.000 1.163 320 G CA -0.203 44.882 45.100 -0.026 0.000 0.872 320 G HN 0.444 nan 8.290 nan 0.000 0.464 321 G N 1.647 110.402 108.800 -0.076 0.000 2.364 321 G HA2 0.410 4.370 3.960 -0.000 0.000 0.267 321 G HA3 0.410 4.370 3.960 -0.000 0.000 0.267 321 G C -0.030 174.813 174.900 -0.095 0.000 1.233 321 G CA -0.604 44.450 45.100 -0.076 0.000 0.885 321 G HN 0.595 nan 8.290 nan 0.000 0.490 322 L N 4.560 125.721 121.223 -0.103 0.000 2.281 322 L HA 0.286 4.626 4.340 -0.000 0.000 0.285 322 L C -1.789 175.066 176.870 -0.025 0.000 1.074 322 L CA -1.526 53.260 54.840 -0.090 0.000 0.817 322 L CB 1.614 43.611 42.059 -0.103 0.000 1.168 322 L HN 0.317 nan 8.230 nan 0.000 0.434 323 P HA -0.031 nan 4.420 nan 0.000 0.262 323 P C 0.366 177.681 177.300 0.026 0.000 1.182 323 P CA 0.118 63.223 63.100 0.009 0.000 0.761 323 P CB 0.696 32.405 31.700 0.014 0.000 0.795 324 E N 2.867 123.081 120.200 0.023 0.000 2.171 324 E HA -0.262 4.088 4.350 -0.000 0.000 0.197 324 E C 1.374 177.999 176.600 0.041 0.000 0.997 324 E CA 1.924 58.343 56.400 0.032 0.000 0.810 324 E CB -0.326 29.390 29.700 0.026 0.000 0.738 324 E HN 0.553 nan 8.360 nan 0.000 0.467 325 D N -0.200 120.223 120.400 0.038 0.000 2.144 325 D HA -0.194 4.446 4.640 -0.000 0.000 0.200 325 D C 2.040 178.373 176.300 0.056 0.000 0.978 325 D CA 0.869 54.895 54.000 0.043 0.000 0.833 325 D CB -0.453 40.369 40.800 0.037 0.000 0.961 325 D HN 0.334 nan 8.370 nan 0.000 0.470 326 L N 0.115 121.377 121.223 0.064 0.000 2.109 326 L HA 0.004 4.343 4.340 -0.000 0.000 0.207 326 L C 3.037 179.972 176.870 0.109 0.000 1.086 326 L CA 0.503 55.396 54.840 0.089 0.000 0.760 326 L CB -0.398 41.723 42.059 0.105 0.000 0.910 326 L HN -0.033 nan 8.230 nan 0.000 0.437 327 R N 0.384 120.944 120.500 0.101 0.000 2.091 327 R HA -0.213 4.127 4.340 -0.000 0.000 0.238 327 R C 2.371 178.728 176.300 0.095 0.000 1.136 327 R CA 1.507 57.673 56.100 0.111 0.000 0.959 327 R CB -0.039 30.312 30.300 0.084 0.000 0.856 327 R HN 0.077 nan 8.270 nan 0.000 0.437 328 R N 0.419 120.964 120.500 0.075 0.000 2.148 328 R HA -0.048 4.291 4.340 -0.000 0.000 0.227 328 R C 2.253 178.594 176.300 0.068 0.000 1.103 328 R CA 1.618 57.758 56.100 0.066 0.000 0.983 328 R CB -0.164 30.168 30.300 0.053 0.000 0.874 328 R HN 0.423 nan 8.270 nan 0.000 0.451 329 S N -0.540 115.203 115.700 0.071 0.000 2.442 329 S HA -0.093 4.377 4.470 -0.000 0.000 0.236 329 S C 0.648 175.295 174.600 0.078 0.000 1.007 329 S CA 0.579 58.819 58.200 0.066 0.000 0.965 329 S CB -0.259 62.980 63.200 0.064 0.000 0.773 329 S HN 0.086 nan 8.310 nan 0.000 0.504 330 I N 2.111 122.734 120.570 0.088 0.000 2.281 330 I HA 0.426 4.596 4.170 -0.000 0.000 0.293 330 I C 1.150 177.324 176.117 0.094 0.000 1.085 330 I CA -0.287 61.070 61.300 0.095 0.000 1.257 330 I CB 0.779 38.837 38.000 0.096 0.000 1.430 330 I HN 0.184 nan 8.210 nan 0.000 0.489 331 A N 4.414 127.294 122.820 0.099 0.000 2.016 331 A HA 0.554 4.874 4.320 -0.000 0.000 0.217 331 A C 1.157 178.792 177.584 0.084 0.000 1.162 331 A CA 1.140 53.230 52.037 0.088 0.000 0.662 331 A CB -0.280 18.775 19.000 0.091 0.000 0.812 331 A HN 0.741 nan 8.150 nan 0.000 0.450 332 G N -2.255 106.601 108.800 0.094 0.000 2.451 332 G HA2 0.520 4.480 3.960 -0.000 0.000 0.292 332 G HA3 0.520 4.480 3.960 -0.000 0.000 0.292 332 G C -1.007 173.953 174.900 0.100 0.000 1.427 332 G CA 0.217 45.370 45.100 0.089 0.000 0.792 332 G HN 1.077 nan 8.290 nan 0.000 0.498 333 S N -0.949 114.811 115.700 0.101 0.000 2.550 333 S HA 0.899 5.368 4.470 -0.000 0.000 0.270 333 S C -0.862 173.793 174.600 0.091 0.000 1.145 333 S CA -1.004 57.267 58.200 0.118 0.000 0.852 333 S CB 2.620 65.912 63.200 0.154 0.000 1.119 333 S HN 0.890 nan 8.310 nan 0.000 0.465 334 R N -0.218 120.314 120.500 0.055 0.000 2.739 334 R HA 0.631 4.970 4.340 -0.000 0.000 0.271 334 R C -2.047 174.105 176.300 -0.246 0.000 1.010 334 R CA -0.952 55.124 56.100 -0.041 0.000 0.897 334 R CB 1.729 32.024 30.300 -0.008 0.000 1.236 334 R HN 0.584 nan 8.270 nan 0.000 0.466 335 L N 2.524 123.522 121.223 -0.375 0.000 2.319 335 L HA 0.571 4.911 4.340 -0.000 0.000 0.281 335 L C -0.911 175.646 176.870 -0.520 0.000 1.005 335 L CA -0.527 53.884 54.840 -0.715 0.000 0.828 335 L CB 1.685 43.280 42.059 -0.774 0.000 1.227 335 L HN 0.498 nan 8.230 nan 0.000 0.415 336 V N 1.559 121.078 119.914 -0.658 0.000 2.960 336 V HA 0.697 4.817 4.120 -0.000 0.000 0.315 336 V C -1.425 174.223 176.094 -0.743 0.000 1.087 336 V CA -0.748 61.219 62.300 -0.555 0.000 0.982 336 V CB 1.890 33.294 31.823 -0.699 0.000 1.039 336 V HN 0.806 nan 8.190 nan 0.000 0.437 337 W N 1.939 123.013 121.300 -0.376 0.000 2.347 337 W HA 0.673 5.333 4.660 -0.000 0.000 0.321 337 W C -0.247 176.091 176.519 -0.302 0.000 0.971 337 W CA -0.668 56.484 57.345 -0.321 0.000 1.508 337 W CB 1.392 30.710 29.460 -0.237 0.000 1.299 337 W HN 0.521 nan 8.180 nan 0.000 0.399 338 V N 2.843 122.625 119.914 -0.220 0.000 2.655 338 V HA -0.054 4.066 4.120 -0.000 0.000 0.300 338 V C 0.506 176.623 176.094 0.039 0.000 1.044 338 V CA -0.095 62.126 62.300 -0.131 0.000 1.095 338 V CB 0.921 32.672 31.823 -0.120 0.000 0.952 338 V HN 0.393 nan 8.190 nan 0.000 0.485 339 E N 3.983 124.242 120.200 0.099 0.000 2.194 339 E HA 0.335 4.685 4.350 -0.000 0.000 0.284 339 E C -0.102 176.581 176.600 0.139 0.000 1.035 339 E CA 0.195 56.656 56.400 0.103 0.000 0.836 339 E CB 1.180 30.940 29.700 0.099 0.000 1.070 339 E HN 0.691 nan 8.360 nan 0.000 0.401 340 S N 3.370 119.158 115.700 0.148 0.000 2.730 340 S HA 0.241 4.711 4.470 -0.000 0.000 0.284 340 S C 0.890 175.606 174.600 0.192 0.000 1.153 340 S CA -0.440 57.901 58.200 0.235 0.000 0.995 340 S CB 0.135 63.535 63.200 0.334 0.000 1.058 340 S HN 0.620 nan 8.310 nan 0.000 0.552 341 F N 1.440 121.448 119.950 0.096 0.000 2.154 341 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 341 F C 1.508 177.350 175.800 0.070 0.000 1.087 341 F CA 1.732 59.775 58.000 0.072 0.000 1.274 341 F CB -0.385 38.651 39.000 0.061 0.000 1.009 341 F HN 0.551 nan 8.300 nan 0.000 0.485 342 D N -0.853 118.890 120.400 -1.094 0.000 2.368 342 D HA 0.219 4.859 4.640 -0.000 0.000 0.218 342 D C 1.763 177.872 176.300 -0.318 0.000 1.112 342 D CA 0.428 53.932 54.000 -0.826 0.000 0.834 342 D CB 0.067 40.201 40.800 -1.110 0.000 0.953 342 D HN 0.543 nan 8.370 nan 0.000 0.505 343 G N -0.118 108.577 108.800 -0.175 0.000 2.176 343 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 343 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 343 G C 0.376 175.253 174.900 -0.037 0.000 0.979 343 G CA 0.199 45.255 45.100 -0.073 0.000 0.641 343 G HN 0.414 nan 8.290 nan 0.000 0.530 344 S N 0.120 115.816 115.700 -0.007 0.000 2.579 344 S HA 0.533 5.003 4.470 -0.000 0.000 0.275 344 S C 0.646 175.255 174.600 0.014 0.000 1.345 344 S CA -0.095 58.136 58.200 0.051 0.000 1.031 344 S CB 0.990 64.371 63.200 0.303 0.000 0.892 344 S HN 0.485 nan 8.310 nan 0.000 0.529 345 R N 1.234 121.680 120.500 -0.091 0.000 2.255 345 R HA 0.410 4.749 4.340 -0.000 0.000 0.326 345 R C -1.274 174.956 176.300 -0.117 0.000 0.986 345 R CA -0.418 55.671 56.100 -0.019 0.000 0.847 345 R CB 1.077 31.388 30.300 0.018 0.000 1.111 345 R HN 0.341 nan 8.270 nan 0.000 0.452 346 V N 6.423 126.304 119.914 -0.056 0.000 2.334 346 V HA 0.200 4.319 4.120 -0.000 0.000 0.267 346 V C -1.840 174.014 176.094 -0.401 0.000 1.040 346 V CA -1.916 60.299 62.300 -0.141 0.000 0.866 346 V CB 0.895 32.768 31.823 0.084 0.000 1.019 346 V HN 0.667 nan 8.190 nan 0.000 0.468 347 P HA 0.143 nan 4.420 nan 0.000 0.266 347 P C -0.280 176.567 177.300 -0.754 0.000 1.215 347 P CA 0.269 62.564 63.100 -1.342 0.000 0.763 347 P CB 0.538 31.109 31.700 -1.882 0.000 0.806 348 T N 4.076 118.189 114.554 -0.734 0.000 2.879 348 T HA 0.319 4.669 4.350 -0.000 0.000 0.290 348 T C -0.656 173.780 174.700 -0.440 0.000 0.993 348 T CA -0.179 61.663 62.100 -0.429 0.000 0.975 348 T CB 0.482 69.102 68.868 -0.414 0.000 0.981 348 T HN 0.137 nan 8.240 nan 0.000 0.439 349 Y N 1.770 121.954 120.300 -0.194 0.000 2.308 349 Y HA 0.541 5.090 4.550 -0.000 0.000 0.329 349 Y C 0.192 176.055 175.900 -0.062 0.000 1.111 349 Y CA -0.381 57.645 58.100 -0.122 0.000 1.179 349 Y CB 1.086 39.509 38.460 -0.062 0.000 1.201 349 Y HN 0.316 nan 8.280 nan 0.000 0.483 350 V N 5.510 125.471 119.914 0.077 0.000 2.656 350 V HA 0.403 4.523 4.120 -0.000 0.000 0.307 350 V C -0.625 175.560 176.094 0.152 0.000 1.051 350 V CA -1.067 61.308 62.300 0.124 0.000 0.893 350 V CB 1.951 33.848 31.823 0.124 0.000 0.999 350 V HN 0.550 nan 8.190 nan 0.000 0.426 351 L N 3.760 125.083 121.223 0.166 0.000 2.319 351 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 351 L C -0.293 176.693 176.870 0.192 0.000 1.005 351 L CA -0.516 54.417 54.840 0.154 0.000 0.828 351 L CB 2.109 44.244 42.059 0.126 0.000 1.227 351 L HN 0.663 nan 8.230 nan 0.000 0.415 352 E N 1.758 122.058 120.200 0.166 0.000 2.200 352 E HA 0.185 4.535 4.350 -0.000 0.000 0.283 352 E C -0.354 176.418 176.600 0.285 0.000 1.015 352 E CA -0.099 56.429 56.400 0.214 0.000 0.819 352 E CB 1.661 31.398 29.700 0.061 0.000 1.081 352 E HN 0.403 nan 8.360 nan 0.000 0.397 353 S N 2.050 118.018 115.700 0.446 0.000 2.548 353 S HA 0.260 4.729 4.470 -0.000 0.000 0.277 353 S C 1.172 175.862 174.600 0.149 0.000 1.315 353 S CA -0.283 58.030 58.200 0.189 0.000 1.050 353 S CB 0.860 64.077 63.200 0.028 0.000 0.918 353 S HN 0.683 nan 8.310 nan 0.000 0.497 354 G N 3.552 112.408 108.800 0.094 0.000 2.920 354 G HA2 0.052 4.012 3.960 -0.000 0.000 0.208 354 G HA3 0.052 4.012 3.960 -0.000 0.000 0.208 354 G C 0.983 175.905 174.900 0.037 0.000 1.159 354 G CA -0.231 44.913 45.100 0.074 0.000 0.784 354 G HN 0.751 nan 8.290 nan 0.000 0.535 355 R N -0.165 120.337 120.500 0.004 0.000 2.546 355 R HA 0.524 4.863 4.340 -0.000 0.000 0.320 355 R C 0.108 176.344 176.300 -0.106 0.000 1.021 355 R CA 0.037 56.112 56.100 -0.041 0.000 1.088 355 R CB 0.851 31.124 30.300 -0.046 0.000 1.278 355 R HN 0.229 nan 8.270 nan 0.000 0.557 356 A N 1.600 124.355 122.820 -0.108 0.000 2.498 356 A HA 0.666 4.986 4.320 -0.000 0.000 0.298 356 A C -2.600 174.960 177.584 -0.040 0.000 1.075 356 A CA -1.552 50.370 52.037 -0.192 0.000 0.714 356 A CB 1.557 20.263 19.000 -0.490 0.000 1.299 356 A HN -0.099 nan 8.150 nan 0.000 0.407 357 P HA 0.556 nan 4.420 nan 0.000 0.282 357 P C -0.743 176.670 177.300 0.190 0.000 1.287 357 P CA -0.113 63.025 63.100 0.064 0.000 0.792 357 P CB 1.005 32.716 31.700 0.019 0.000 1.163 358 T N 1.268 115.900 114.554 0.129 0.000 2.890 358 T HA 0.379 4.729 4.350 -0.000 0.000 0.295 358 T C -2.235 172.487 174.700 0.037 0.000 0.993 358 T CA -0.874 61.289 62.100 0.104 0.000 0.979 358 T CB 0.771 69.656 68.868 0.029 0.000 0.967 358 T HN 0.413 nan 8.240 nan 0.000 0.441 359 P HA 0.570 nan 4.420 nan 0.000 0.271 359 P C -0.122 177.237 177.300 0.098 0.000 1.218 359 P CA -0.164 62.962 63.100 0.044 0.000 0.780 359 P CB 1.078 32.777 31.700 -0.001 0.000 0.901 360 G N 1.139 110.047 108.800 0.181 0.000 2.687 360 G HA2 0.519 4.479 3.960 -0.000 0.000 0.291 360 G HA3 0.519 4.479 3.960 -0.000 0.000 0.291 360 G C -3.303 171.658 174.900 0.101 0.000 1.420 360 G CA -1.442 43.718 45.100 0.101 0.000 0.796 360 G HN 0.214 nan 8.290 nan 0.000 0.485 361 P HA 0.252 nan 4.420 nan 0.000 0.260 361 P C -0.447 177.024 177.300 0.285 0.000 1.185 361 P CA 0.675 63.875 63.100 0.167 0.000 0.763 361 P CB 0.782 32.465 31.700 -0.029 0.000 0.776 362 T N 2.780 117.582 114.554 0.413 0.000 2.886 362 T HA 0.429 4.779 4.350 -0.000 0.000 0.292 362 T C -0.572 174.389 174.700 0.436 0.000 1.012 362 T CA -0.458 61.889 62.100 0.411 0.000 0.982 362 T CB 1.200 70.263 68.868 0.325 0.000 1.018 362 T HN -0.088 nan 8.240 nan 0.000 0.451 363 V N 3.118 123.242 119.914 0.351 0.000 2.417 363 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 363 V C -0.061 176.155 176.094 0.204 0.000 1.024 363 V CA -0.812 61.634 62.300 0.244 0.000 0.861 363 V CB 1.868 33.736 31.823 0.074 0.000 0.985 363 V HN 0.728 nan 8.190 nan 0.000 0.436 364 V N 6.442 126.466 119.914 0.183 0.000 2.356 364 V HA 0.232 4.352 4.120 -0.000 0.000 0.258 364 V C -0.057 176.068 176.094 0.052 0.000 1.065 364 V CA -0.187 62.213 62.300 0.167 0.000 0.935 364 V CB 1.017 32.992 31.823 0.253 0.000 1.061 364 V HN 0.637 nan 8.190 nan 0.000 0.484 365 L N 7.884 129.152 121.223 0.075 0.000 2.268 365 L HA 0.456 4.796 4.340 -0.000 0.000 0.289 365 L C -0.064 176.844 176.870 0.062 0.000 1.064 365 L CA 0.373 55.235 54.840 0.036 0.000 0.824 365 L CB 1.150 43.236 42.059 0.046 0.000 1.202 365 L HN 0.393 nan 8.230 nan 0.000 0.433 366 V N 5.701 125.636 119.914 0.035 0.000 2.461 366 V HA 0.208 4.328 4.120 -0.000 0.000 0.275 366 V C 0.636 176.820 176.094 0.150 0.000 1.047 366 V CA -0.615 61.740 62.300 0.091 0.000 0.955 366 V CB 0.403 32.231 31.823 0.008 0.000 0.988 366 V HN 0.851 nan 8.190 nan 0.000 0.471 367 H N 3.041 122.272 119.070 0.268 0.000 2.671 367 H HA 0.504 5.060 4.556 -0.000 0.000 0.372 367 H C 0.522 176.030 175.328 0.300 0.000 1.227 367 H CA -0.175 55.988 56.048 0.191 0.000 1.426 367 H CB 1.221 31.048 29.762 0.108 0.000 1.480 367 H HN 0.650 nan 8.280 nan 0.000 0.611 368 G N -0.936 108.140 108.800 0.459 0.000 2.531 368 G HA2 0.465 4.425 3.960 -0.000 0.000 0.253 368 G HA3 0.465 4.425 3.960 -0.000 0.000 0.253 368 G C 0.435 175.625 174.900 0.483 0.000 1.439 368 G CA -0.108 45.256 45.100 0.441 0.000 1.056 368 G HN 1.104 nan 8.290 nan 0.000 0.555 369 G N -0.585 108.412 108.800 0.327 0.000 2.591 369 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.226 369 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.226 369 G C -0.866 174.063 174.900 0.049 0.000 1.598 369 G CA 0.701 45.900 45.100 0.165 0.000 1.349 369 G HN 0.771 nan 8.290 nan 0.000 0.493 370 P HA 0.066 nan 4.420 nan 0.000 0.222 370 P C 0.741 178.106 177.300 0.109 0.000 1.147 370 P CA 0.686 63.654 63.100 -0.220 0.000 0.790 370 P CB -0.268 31.020 31.700 -0.687 0.000 0.780 371 F N 1.095 121.056 119.950 0.018 0.000 2.685 371 F HA 0.364 4.891 4.527 -0.000 0.000 0.349 371 F C 1.250 177.031 175.800 -0.031 0.000 1.294 371 F CA -0.818 57.186 58.000 0.007 0.000 1.201 371 F CB -0.219 38.785 39.000 0.007 0.000 1.615 371 F HN 0.057 nan 8.300 nan 0.000 0.674 372 A N 2.727 125.584 122.820 0.062 0.000 2.557 372 A HA 0.774 5.094 4.320 -0.000 0.000 0.292 372 A C -1.150 176.139 177.584 -0.491 0.000 1.139 372 A CA -0.831 51.110 52.037 -0.159 0.000 0.665 372 A CB 2.042 20.954 19.000 -0.147 0.000 1.285 372 A HN 0.529 nan 8.150 nan 0.000 0.433 373 E N 0.164 120.078 120.200 -0.476 0.000 2.412 373 E HA 0.507 4.857 4.350 -0.000 0.000 0.279 373 E C -1.942 174.504 176.600 -0.256 0.000 0.984 373 E CA -0.863 55.286 56.400 -0.418 0.000 0.788 373 E CB 1.751 31.422 29.700 -0.049 0.000 1.277 373 E HN 0.359 nan 8.360 nan 0.000 0.455 374 D N 1.760 122.119 120.400 -0.068 0.000 2.317 374 D HA 0.265 4.904 4.640 -0.000 0.000 0.234 374 D C -0.510 175.738 176.300 -0.087 0.000 1.112 374 D CA 0.086 54.076 54.000 -0.017 0.000 0.840 374 D CB 1.635 42.512 40.800 0.128 0.000 1.078 374 D HN 0.519 nan 8.370 nan 0.000 0.486 375 S N 1.041 116.568 115.700 -0.287 0.000 2.841 375 S HA 0.281 4.751 4.470 -0.000 0.000 0.318 375 S C -0.205 173.890 174.600 -0.842 0.000 1.127 375 S CA -0.899 57.005 58.200 -0.493 0.000 0.883 375 S CB 1.809 64.887 63.200 -0.203 0.000 1.271 375 S HN 0.174 nan 8.310 nan 0.000 0.567 376 D N 1.127 121.107 120.400 -0.699 0.000 2.608 376 D HA 0.459 5.098 4.640 -0.000 0.000 0.224 376 D C -0.830 175.330 176.300 -0.233 0.000 1.123 376 D CA 0.176 53.909 54.000 -0.445 0.000 1.030 376 D CB -0.869 39.853 40.800 -0.130 0.000 1.093 376 D HN 0.428 nan 8.370 nan 0.000 0.497 377 S N 1.754 117.320 115.700 -0.224 0.000 2.569 377 S HA 0.260 4.730 4.470 -0.000 0.000 0.280 377 S C -0.834 173.743 174.600 -0.039 0.000 1.111 377 S CA -0.973 57.156 58.200 -0.118 0.000 0.887 377 S CB 1.376 64.506 63.200 -0.116 0.000 1.095 377 S HN 0.403 nan 8.310 nan 0.000 0.476 378 W N 3.438 124.653 121.300 -0.143 0.000 2.257 378 W HA 0.141 4.801 4.660 -0.000 0.000 0.337 378 W C -0.973 175.508 176.519 -0.063 0.000 1.321 378 W CA 0.924 58.212 57.345 -0.096 0.000 1.267 378 W CB 0.364 29.764 29.460 -0.099 0.000 1.187 378 W HN 0.598 nan 8.180 nan 0.000 0.565 379 D N 4.640 124.528 120.400 -0.854 0.000 2.402 379 D HA 0.110 4.750 4.640 -0.000 0.000 0.252 379 D C 0.841 176.637 176.300 -0.839 0.000 1.294 379 D CA -0.285 53.384 54.000 -0.551 0.000 0.948 379 D CB 1.317 41.962 40.800 -0.258 0.000 1.202 379 D HN 0.305 nan 8.370 nan 0.000 0.561 380 T N 2.466 116.654 114.554 -0.609 0.000 2.759 380 T HA -0.137 4.213 4.350 -0.000 0.000 0.269 380 T C 1.686 176.168 174.700 -0.364 0.000 1.042 380 T CA 1.218 63.075 62.100 -0.405 0.000 1.140 380 T CB -0.216 68.551 68.868 -0.169 0.000 0.864 380 T HN 0.399 nan 8.240 nan 0.000 0.455 381 F N 1.724 121.522 119.950 -0.253 0.000 2.102 381 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 381 F C 2.728 178.425 175.800 -0.171 0.000 1.105 381 F CA 0.888 58.772 58.000 -0.192 0.000 1.239 381 F CB -0.967 37.930 39.000 -0.171 0.000 0.991 381 F HN 0.121 nan 8.300 nan 0.000 0.474 382 A N 0.220 123.038 122.820 -0.002 0.000 1.877 382 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 382 A C 2.411 179.926 177.584 -0.115 0.000 1.186 382 A CA 1.908 53.910 52.037 -0.058 0.000 0.620 382 A CB -1.400 17.537 19.000 -0.106 0.000 0.822 382 A HN 0.320 nan 8.150 nan 0.000 0.443 383 A N 0.257 122.904 122.820 -0.288 0.000 1.940 383 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 383 A C 2.518 180.058 177.584 -0.073 0.000 1.176 383 A CA 2.485 54.377 52.037 -0.242 0.000 0.631 383 A CB -0.955 17.753 19.000 -0.488 0.000 0.814 383 A HN 1.039 nan 8.150 nan 0.000 0.446 384 S N -0.071 115.585 115.700 -0.073 0.000 2.383 384 S HA -0.058 4.412 4.470 -0.000 0.000 0.227 384 S C 1.901 176.521 174.600 0.034 0.000 1.026 384 S CA 1.296 59.484 58.200 -0.019 0.000 0.981 384 S CB -0.710 62.454 63.200 -0.059 0.000 0.818 384 S HN 0.455 nan 8.310 nan 0.000 0.472 385 L N 1.491 122.738 121.223 0.040 0.000 2.046 385 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 385 L C 3.274 180.264 176.870 0.199 0.000 1.077 385 L CA 1.204 56.110 54.840 0.111 0.000 0.747 385 L CB -0.991 41.095 42.059 0.046 0.000 0.896 385 L HN 0.469 nan 8.230 nan 0.000 0.432 386 A N 0.291 123.181 122.820 0.116 0.000 1.883 386 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 386 A C 2.532 180.161 177.584 0.076 0.000 1.186 386 A CA 1.926 54.024 52.037 0.102 0.000 0.624 386 A CB -0.802 18.244 19.000 0.077 0.000 0.822 386 A HN 0.409 nan 8.150 nan 0.000 0.444 387 A N -0.502 122.358 122.820 0.068 0.000 1.972 387 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 387 A C 2.233 179.846 177.584 0.049 0.000 1.169 387 A CA 1.830 53.901 52.037 0.056 0.000 0.635 387 A CB -0.717 18.319 19.000 0.059 0.000 0.810 387 A HN 1.143 nan 8.150 nan 0.000 0.446 388 A N -1.793 121.082 122.820 0.092 0.000 2.251 388 A HA 0.430 4.750 4.320 -0.000 0.000 0.209 388 A C 1.576 179.137 177.584 -0.039 0.000 1.187 388 A CA 1.075 53.171 52.037 0.098 0.000 0.823 388 A CB -0.873 18.279 19.000 0.253 0.000 0.846 388 A HN 1.883 nan 8.150 nan 0.000 0.486 389 G N -1.796 106.954 108.800 -0.084 0.000 2.140 389 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.211 389 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.211 389 G C -0.283 174.284 174.900 -0.555 0.000 1.013 389 G CA 0.018 44.925 45.100 -0.321 0.000 0.705 389 G HN 0.353 nan 8.290 nan 0.000 0.508 390 F N 0.814 120.686 119.950 -0.129 0.000 2.540 390 F HA 0.606 5.132 4.527 -0.000 0.000 0.317 390 F C 0.694 176.443 175.800 -0.085 0.000 1.104 390 F CA -1.255 56.673 58.000 -0.121 0.000 0.913 390 F CB 1.283 40.269 39.000 -0.023 0.000 1.170 390 F HN 0.039 nan 8.300 nan 0.000 0.450 391 H N 1.441 120.656 119.070 0.243 0.000 2.615 391 H HA 0.526 5.081 4.556 -0.000 0.000 0.363 391 H C -0.533 174.925 175.328 0.218 0.000 1.148 391 H CA -0.254 55.906 56.048 0.188 0.000 1.401 391 H CB 1.497 31.352 29.762 0.156 0.000 1.461 391 H HN 0.276 nan 8.280 nan 0.000 0.588 392 V N 2.741 122.841 119.914 0.309 0.000 2.540 392 V HA 0.226 4.346 4.120 -0.000 0.000 0.302 392 V C -0.110 176.120 176.094 0.228 0.000 1.035 392 V CA -0.802 61.636 62.300 0.230 0.000 0.873 392 V CB 2.011 33.928 31.823 0.156 0.000 0.992 392 V HN 0.423 nan 8.190 nan 0.000 0.428 393 V N 5.994 126.045 119.914 0.229 0.000 2.378 393 V HA 0.496 4.616 4.120 -0.000 0.000 0.288 393 V C -0.189 176.010 176.094 0.175 0.000 1.016 393 V CA -0.332 62.106 62.300 0.230 0.000 0.840 393 V CB 1.510 33.524 31.823 0.318 0.000 0.994 393 V HN 0.890 nan 8.190 nan 0.000 0.431 394 M N 8.365 128.052 119.600 0.145 0.000 2.027 394 M HA 0.393 4.873 4.480 -0.000 0.000 0.329 394 M C -2.838 173.542 176.300 0.133 0.000 0.971 394 M CA -1.474 53.915 55.300 0.149 0.000 0.933 394 M CB 2.043 34.732 32.600 0.148 0.000 1.392 394 M HN 0.328 nan 8.290 nan 0.000 0.394 395 P HA 0.202 nan 4.420 nan 0.000 0.294 395 P C -1.113 176.282 177.300 0.158 0.000 1.294 395 P CA -0.465 62.704 63.100 0.114 0.000 0.827 395 P CB 0.984 32.774 31.700 0.151 0.000 0.992 396 N N 3.235 121.988 118.700 0.088 0.000 2.968 396 N HA 0.073 4.812 4.740 -0.000 0.000 0.271 396 N C 0.193 175.864 175.510 0.269 0.000 1.174 396 N CA -0.127 53.003 53.050 0.134 0.000 1.096 396 N CB -0.412 38.115 38.487 0.067 0.000 1.403 396 N HN 0.460 nan 8.380 nan 0.000 0.522 397 Y N 0.140 120.615 120.300 0.292 0.000 2.607 397 Y HA 0.028 4.577 4.550 -0.000 0.000 0.348 397 Y C 1.130 177.082 175.900 0.087 0.000 1.261 397 Y CA -1.249 56.997 58.100 0.243 0.000 1.480 397 Y CB 0.258 38.769 38.460 0.084 0.000 1.358 397 Y HN 0.266 nan 8.280 nan 0.000 0.630 398 R N 1.145 121.519 120.500 -0.209 0.000 2.537 398 R HA 0.356 4.696 4.340 -0.000 0.000 0.281 398 R C 0.753 176.854 176.300 -0.333 0.000 0.988 398 R CA 0.585 55.977 56.100 -1.180 0.000 1.077 398 R CB -0.391 29.172 30.300 -1.227 0.000 0.932 398 R HN 1.364 nan 8.270 nan 0.000 0.409 399 G N 1.795 110.399 108.800 -0.326 0.000 2.284 399 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.201 399 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.201 399 G C -0.124 174.887 174.900 0.186 0.000 0.998 399 G CA -0.027 45.120 45.100 0.078 0.000 0.651 399 G HN 0.644 nan 8.290 nan 0.000 0.489 400 S N 1.634 117.371 115.700 0.061 0.000 2.579 400 S HA 0.535 5.005 4.470 -0.000 0.000 0.275 400 S C 0.915 175.662 174.600 0.246 0.000 1.345 400 S CA 0.541 58.843 58.200 0.170 0.000 1.031 400 S CB 1.154 64.505 63.200 0.251 0.000 0.892 400 S HN 1.085 nan 8.310 nan 0.000 0.529 401 T N -1.165 113.487 114.554 0.164 0.000 2.824 401 T HA 0.635 4.985 4.350 -0.000 0.000 0.277 401 T C 1.268 176.059 174.700 0.152 0.000 0.975 401 T CA -0.120 62.052 62.100 0.120 0.000 0.966 401 T CB 0.832 69.731 68.868 0.051 0.000 1.054 401 T HN 1.198 nan 8.240 nan 0.000 0.533 402 G N -0.182 108.631 108.800 0.022 0.000 2.217 402 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.246 402 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.246 402 G C 0.151 174.706 174.900 -0.574 0.000 0.990 402 G CA 0.280 45.245 45.100 -0.225 0.000 0.627 402 G HN 0.790 nan 8.290 nan 0.000 0.522 403 Y N 1.020 121.395 120.300 0.124 0.000 2.698 403 Y HA 0.507 5.057 4.550 -0.000 0.000 0.261 403 Y C 1.226 177.197 175.900 0.118 0.000 1.104 403 Y CA 0.187 58.347 58.100 0.101 0.000 1.145 403 Y CB 0.940 39.417 38.460 0.028 0.000 1.191 403 Y HN 1.228 nan 8.280 nan 0.000 0.564 404 G N 0.436 109.314 108.800 0.129 0.000 2.662 404 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 404 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 404 G C 0.208 175.178 174.900 0.116 0.000 1.271 404 G CA -0.200 44.962 45.100 0.103 0.000 0.816 404 G HN 0.211 nan 8.290 nan 0.000 0.608 405 E N -0.174 120.053 120.200 0.045 0.000 2.077 405 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 405 E C 2.144 178.778 176.600 0.057 0.000 0.989 405 E CA 2.264 58.670 56.400 0.010 0.000 0.800 405 E CB -0.123 29.555 29.700 -0.035 0.000 0.746 405 E HN 0.662 nan 8.360 nan 0.000 0.452 406 E N -0.393 119.869 120.200 0.102 0.000 2.031 406 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 406 E C 1.886 178.613 176.600 0.212 0.000 0.994 406 E CA 1.258 57.738 56.400 0.134 0.000 0.800 406 E CB -0.506 29.279 29.700 0.141 0.000 0.752 406 E HN 0.551 nan 8.360 nan 0.000 0.447 407 W N 1.677 123.022 121.300 0.074 0.000 2.338 407 W HA -0.212 4.448 4.660 -0.000 0.000 0.304 407 W C 2.357 178.946 176.519 0.115 0.000 1.212 407 W CA 1.428 58.838 57.345 0.107 0.000 1.264 407 W CB -0.127 29.422 29.460 0.148 0.000 1.142 407 W HN 0.095 nan 8.180 nan 0.000 0.512 408 R N 0.427 121.003 120.500 0.126 0.000 2.075 408 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 408 R C 2.351 178.650 176.300 -0.002 0.000 1.126 408 R CA 1.592 57.697 56.100 0.007 0.000 0.963 408 R CB -0.710 29.555 30.300 -0.058 0.000 0.858 408 R HN 0.232 nan 8.270 nan 0.000 0.435 409 L N 0.559 121.780 121.223 -0.004 0.000 2.478 409 L HA -0.034 4.306 4.340 -0.000 0.000 0.223 409 L C 1.983 178.867 176.870 0.024 0.000 1.140 409 L CA 0.744 55.600 54.840 0.026 0.000 0.842 409 L CB -0.192 41.876 42.059 0.014 0.000 0.953 409 L HN 0.153 nan 8.230 nan 0.000 0.452 410 K N 0.479 120.863 120.400 -0.026 0.000 2.209 410 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 410 K C 2.022 178.606 176.600 -0.027 0.000 1.048 410 K CA 1.199 57.462 56.287 -0.040 0.000 0.940 410 K CB -0.083 32.345 32.500 -0.121 0.000 0.729 410 K HN 0.299 nan 8.250 nan 0.000 0.451 411 I N 1.239 121.798 120.570 -0.019 0.000 2.546 411 I HA -0.119 4.051 4.170 -0.000 0.000 0.255 411 I C 0.119 176.239 176.117 0.006 0.000 1.163 411 I CA 0.268 61.574 61.300 0.010 0.000 1.457 411 I CB 0.274 38.295 38.000 0.035 0.000 1.092 411 I HN -0.012 nan 8.210 nan 0.000 0.434 412 I N 2.605 123.191 120.570 0.026 0.000 2.742 412 I HA -0.037 4.133 4.170 -0.000 0.000 0.287 412 I C 1.551 177.653 176.117 -0.025 0.000 1.186 412 I CA 1.334 62.633 61.300 -0.002 0.000 1.417 412 I CB -0.919 37.107 38.000 0.043 0.000 1.377 412 I HN 0.528 nan 8.210 nan 0.000 0.556 413 G N 5.469 114.228 108.800 -0.069 0.000 2.179 413 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.260 413 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.260 413 G C 0.311 175.188 174.900 -0.038 0.000 0.977 413 G CA 0.404 45.467 45.100 -0.061 0.000 0.641 413 G HN 0.631 nan 8.290 nan 0.000 0.533 414 D N 0.370 120.755 120.400 -0.024 0.000 2.908 414 D HA 0.302 4.941 4.640 -0.000 0.000 0.361 414 D C -2.023 174.309 176.300 0.054 0.000 1.416 414 D CA -1.076 52.932 54.000 0.013 0.000 0.796 414 D CB 0.938 41.752 40.800 0.024 0.000 1.185 414 D HN 0.300 nan 8.370 nan 0.000 0.451 415 P HA 0.051 nan 4.420 nan 0.000 0.271 415 P C 0.218 177.675 177.300 0.261 0.000 1.216 415 P CA -0.007 63.246 63.100 0.255 0.000 0.776 415 P CB 1.174 33.019 31.700 0.242 0.000 0.881 416 c N 2.399 121.140 118.600 0.235 0.000 4.067 416 c HA -0.067 4.503 4.570 -0.000 0.000 0.305 416 c C 1.164 175.245 174.090 -0.014 0.000 1.305 416 c CA 0.991 57.328 56.329 0.015 0.000 2.111 416 c CB -2.212 40.305 42.510 0.012 0.000 1.339 416 c HN 0.898 nan 8.230 nan 0.000 0.668 417 G N 0.125 108.913 108.800 -0.020 0.000 3.495 417 G HA2 0.527 4.487 3.960 -0.000 0.000 0.178 417 G HA3 0.527 4.487 3.960 -0.000 0.000 0.178 417 G C 1.093 175.929 174.900 -0.107 0.000 1.262 417 G CA 0.691 45.757 45.100 -0.058 0.000 1.096 417 G HN 1.117 nan 8.290 nan 0.000 0.727 418 G N 0.949 109.720 108.800 -0.048 0.000 2.442 418 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.219 418 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.219 418 G C 1.482 176.399 174.900 0.028 0.000 1.141 418 G CA 2.044 47.141 45.100 -0.005 0.000 0.763 418 G HN 0.614 nan 8.290 nan 0.000 0.554 419 E N 0.499 120.713 120.200 0.023 0.000 2.106 419 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 419 E C 2.192 178.769 176.600 -0.038 0.000 0.984 419 E CA 0.657 57.081 56.400 0.040 0.000 0.806 419 E CB -0.749 28.975 29.700 0.040 0.000 0.750 419 E HN 0.388 nan 8.360 nan 0.000 0.458 420 L N 0.986 122.152 121.223 -0.095 0.000 2.083 420 L HA -0.102 4.238 4.340 -0.000 0.000 0.209 420 L C 1.854 178.682 176.870 -0.071 0.000 1.083 420 L CA 1.797 56.567 54.840 -0.118 0.000 0.752 420 L CB -0.331 41.636 42.059 -0.152 0.000 0.899 420 L HN -0.053 nan 8.230 nan 0.000 0.433 421 E N 0.091 120.217 120.200 -0.123 0.000 2.110 421 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 421 E C 1.871 178.526 176.600 0.092 0.000 0.988 421 E CA 1.353 57.671 56.400 -0.137 0.000 0.804 421 E CB -0.352 29.007 29.700 -0.568 0.000 0.745 421 E HN 0.605 nan 8.360 nan 0.000 0.458 422 D N 0.258 120.766 120.400 0.180 0.000 2.117 422 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 422 D C 2.157 178.588 176.300 0.218 0.000 0.982 422 D CA 0.632 54.796 54.000 0.274 0.000 0.828 422 D CB -0.237 40.788 40.800 0.376 0.000 0.967 422 D HN 0.018 nan 8.370 nan 0.000 0.464 423 V N 1.094 121.106 119.914 0.163 0.000 2.343 423 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 423 V C 2.488 178.703 176.094 0.202 0.000 1.051 423 V CA 1.715 64.117 62.300 0.169 0.000 1.036 423 V CB -0.501 31.366 31.823 0.074 0.000 0.654 423 V HN 0.141 nan 8.190 nan 0.000 0.451 424 S N 0.179 115.961 115.700 0.136 0.000 2.383 424 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 424 S C 2.177 176.830 174.600 0.089 0.000 1.026 424 S CA 1.279 59.526 58.200 0.079 0.000 0.981 424 S CB -0.420 62.782 63.200 0.003 0.000 0.818 424 S HN 0.654 nan 8.310 nan 0.000 0.472 425 A N 1.481 124.385 122.820 0.141 0.000 1.969 425 A HA 0.207 4.527 4.320 -0.000 0.000 0.218 425 A C 2.313 180.028 177.584 0.218 0.000 1.169 425 A CA 1.460 53.600 52.037 0.172 0.000 0.635 425 A CB -0.894 18.230 19.000 0.208 0.000 0.810 425 A HN 0.501 nan 8.150 nan 0.000 0.445 426 A N -0.183 122.773 122.820 0.227 0.000 1.969 426 A HA 0.212 4.532 4.320 -0.000 0.000 0.218 426 A C 2.413 180.200 177.584 0.339 0.000 1.169 426 A CA 1.817 54.024 52.037 0.284 0.000 0.635 426 A CB -0.764 18.374 19.000 0.231 0.000 0.810 426 A HN 0.926 nan 8.150 nan 0.000 0.445 427 A N -0.135 122.825 122.820 0.233 0.000 1.873 427 A HA -0.094 4.226 4.320 -0.000 0.000 0.215 427 A C 2.205 179.827 177.584 0.064 0.000 1.186 427 A CA 1.546 53.665 52.037 0.137 0.000 0.616 427 A CB -0.399 18.538 19.000 -0.106 0.000 0.823 427 A HN 0.475 nan 8.150 nan 0.000 0.442 428 R N -1.851 118.685 120.500 0.059 0.000 2.081 428 R HA -0.190 4.149 4.340 -0.000 0.000 0.235 428 R C 1.913 178.247 176.300 0.057 0.000 1.131 428 R CA 1.768 57.888 56.100 0.033 0.000 0.960 428 R CB -0.451 29.881 30.300 0.053 0.000 0.856 428 R HN 0.811 nan 8.270 nan 0.000 0.436 429 W N 0.944 122.258 121.300 0.023 0.000 2.358 429 W HA -0.144 4.516 4.660 -0.000 0.000 0.303 429 W C 2.040 178.573 176.519 0.024 0.000 1.208 429 W CA 1.563 58.924 57.345 0.027 0.000 1.274 429 W CB -0.347 29.136 29.460 0.038 0.000 1.138 429 W HN 0.098 nan 8.180 nan 0.000 0.515 430 A N 1.033 123.767 122.820 -0.144 0.000 1.908 430 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 430 A C 2.161 179.514 177.584 -0.384 0.000 1.181 430 A CA 1.766 53.580 52.037 -0.371 0.000 0.627 430 A CB -0.724 18.314 19.000 0.065 0.000 0.818 430 A HN 0.314 nan 8.150 nan 0.000 0.445 431 R N -0.369 119.998 120.500 -0.221 0.000 2.061 431 R HA -0.086 4.254 4.340 -0.000 0.000 0.230 431 R C 2.034 178.203 176.300 -0.218 0.000 1.140 431 R CA 1.622 57.616 56.100 -0.177 0.000 0.940 431 R CB -0.640 29.590 30.300 -0.116 0.000 0.839 431 R HN 0.718 nan 8.270 nan 0.000 0.429 432 E N 0.727 120.794 120.200 -0.222 0.000 2.204 432 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 432 E C 1.762 178.207 176.600 -0.257 0.000 0.990 432 E CA 1.454 57.741 56.400 -0.190 0.000 0.821 432 E CB -0.033 29.600 29.700 -0.113 0.000 0.750 432 E HN 0.327 nan 8.360 nan 0.000 0.477 433 S N -0.779 114.629 115.700 -0.487 0.000 2.562 433 S HA 0.124 4.594 4.470 -0.000 0.000 0.221 433 S C 1.643 176.050 174.600 -0.322 0.000 0.975 433 S CA 0.423 58.338 58.200 -0.475 0.000 0.918 433 S CB 0.433 63.062 63.200 -0.953 0.000 0.772 433 S HN 0.376 nan 8.310 nan 0.000 0.531 434 G N 0.616 109.243 108.800 -0.288 0.000 2.175 434 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 434 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 434 G C 0.443 175.236 174.900 -0.178 0.000 0.982 434 G CA 0.319 45.309 45.100 -0.183 0.000 0.641 434 G HN 0.575 nan 8.290 nan 0.000 0.527 435 L N 0.969 122.032 121.223 -0.266 0.000 2.095 435 L HA 0.726 5.066 4.340 -0.000 0.000 0.204 435 L C 1.779 178.614 176.870 -0.057 0.000 1.080 435 L CA 2.365 57.078 54.840 -0.211 0.000 0.759 435 L CB -0.296 41.595 42.059 -0.281 0.000 0.914 435 L HN 0.840 nan 8.230 nan 0.000 0.439 436 A N -1.422 121.361 122.820 -0.062 0.000 2.292 436 A HA 0.513 4.832 4.320 -0.000 0.000 0.319 436 A C 0.968 178.553 177.584 0.002 0.000 1.206 436 A CA 0.168 52.222 52.037 0.030 0.000 0.835 436 A CB 0.635 19.654 19.000 0.031 0.000 1.164 436 A HN 0.428 nan 8.150 nan 0.000 0.505 437 S N 1.035 116.755 115.700 0.033 0.000 2.497 437 S HA 0.201 4.671 4.470 -0.000 0.000 0.218 437 S C 0.313 174.904 174.600 -0.014 0.000 1.023 437 S CA 0.469 58.671 58.200 0.004 0.000 0.913 437 S CB -0.226 62.983 63.200 0.015 0.000 0.800 437 S HN 0.891 nan 8.310 nan 0.000 0.505 438 E N 0.164 120.361 120.200 -0.005 0.000 2.375 438 E HA 0.625 4.975 4.350 -0.000 0.000 0.280 438 E C -1.798 174.739 176.600 -0.105 0.000 0.972 438 E CA -1.039 55.309 56.400 -0.086 0.000 0.782 438 E CB 1.105 30.741 29.700 -0.107 0.000 1.229 438 E HN 0.163 nan 8.360 nan 0.000 0.439 439 L N 2.251 123.352 121.223 -0.204 0.000 2.346 439 L HA 0.591 4.931 4.340 -0.000 0.000 0.276 439 L C -1.243 175.545 176.870 -0.137 0.000 1.006 439 L CA -0.840 53.972 54.840 -0.046 0.000 0.817 439 L CB 1.169 43.272 42.059 0.074 0.000 1.272 439 L HN 0.599 nan 8.230 nan 0.000 0.421 440 Y N 2.552 123.040 120.300 0.314 0.000 2.570 440 Y HA 0.635 5.184 4.550 -0.000 0.000 0.345 440 Y C -0.399 175.433 175.900 -0.113 0.000 1.014 440 Y CA -0.744 57.446 58.100 0.150 0.000 1.063 440 Y CB 2.502 40.987 38.460 0.042 0.000 1.272 440 Y HN 0.359 nan 8.280 nan 0.000 0.477 441 I N 3.258 123.656 120.570 -0.286 0.000 2.509 441 I HA 0.619 4.789 4.170 -0.000 0.000 0.293 441 I C -1.447 174.508 176.117 -0.271 0.000 1.020 441 I CA -0.865 60.069 61.300 -0.609 0.000 1.088 441 I CB 1.500 38.658 38.000 -1.403 0.000 1.267 441 I HN 0.809 nan 8.210 nan 0.000 0.430 442 M N 6.629 126.108 119.600 -0.202 0.000 2.421 442 M HA 0.740 5.220 4.480 -0.000 0.000 0.287 442 M C -1.400 174.812 176.300 -0.146 0.000 1.183 442 M CA -0.277 54.933 55.300 -0.150 0.000 0.916 442 M CB 2.256 34.814 32.600 -0.069 0.000 1.701 442 M HN 0.722 nan 8.290 nan 0.000 0.470 443 G N 2.269 110.937 108.800 -0.220 0.000 2.579 443 G HA2 0.574 4.534 3.960 -0.000 0.000 0.292 443 G HA3 0.574 4.534 3.960 -0.000 0.000 0.292 443 G C -2.701 171.991 174.900 -0.347 0.000 1.484 443 G CA -0.448 44.554 45.100 -0.163 0.000 0.813 443 G HN 0.598 nan 8.290 nan 0.000 0.515 444 Y N 0.472 120.635 120.300 -0.228 0.000 2.485 444 Y HA 0.742 5.292 4.550 -0.000 0.000 0.345 444 Y C 1.164 177.033 175.900 -0.050 0.000 0.998 444 Y CA 0.528 58.512 58.100 -0.193 0.000 1.059 444 Y CB 2.219 40.479 38.460 -0.334 0.000 1.234 444 Y HN 1.162 nan 8.280 nan 0.000 0.461 445 S N 0.794 116.566 115.700 0.121 0.000 4.064 445 S HA -0.423 4.047 4.470 -0.000 0.000 0.625 445 S C 1.098 175.822 174.600 0.207 0.000 2.010 445 S CA 1.569 59.918 58.200 0.248 0.000 4.186 445 S CB -1.527 61.903 63.200 0.383 0.000 0.211 445 S HN 0.865 nan 8.310 nan 0.000 0.605 446 Y N 2.213 122.632 120.300 0.199 0.000 2.315 446 Y HA 0.017 4.567 4.550 -0.000 0.000 0.288 446 Y C 2.303 178.312 175.900 0.182 0.000 1.154 446 Y CA 2.474 60.719 58.100 0.243 0.000 1.229 446 Y CB -0.950 37.694 38.460 0.307 0.000 0.980 446 Y HN 0.544 nan 8.280 nan 0.000 0.540 447 G N -1.068 107.869 108.800 0.229 0.000 2.422 447 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.218 447 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.218 447 G C 1.891 176.740 174.900 -0.086 0.000 1.140 447 G CA 0.689 45.831 45.100 0.070 0.000 0.775 447 G HN 0.548 nan 8.290 nan 0.000 0.545 448 G N -0.264 108.477 108.800 -0.099 0.000 2.421 448 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 448 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 448 G C 1.592 176.398 174.900 -0.156 0.000 1.143 448 G CA 0.979 45.966 45.100 -0.188 0.000 0.784 448 G HN 0.398 nan 8.290 nan 0.000 0.541 449 Y N 1.003 121.127 120.300 -0.293 0.000 2.165 449 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 449 Y C 2.674 178.364 175.900 -0.350 0.000 1.155 449 Y CA 1.467 59.337 58.100 -0.384 0.000 1.164 449 Y CB -0.118 37.986 38.460 -0.594 0.000 0.978 449 Y HN 0.076 nan 8.280 nan 0.000 0.513 450 M N -0.467 118.874 119.600 -0.431 0.000 2.159 450 M HA -0.190 4.290 4.480 -0.000 0.000 0.263 450 M C 2.009 178.098 176.300 -0.352 0.000 1.063 450 M CA 1.875 56.901 55.300 -0.456 0.000 1.110 450 M CB -1.405 30.997 32.600 -0.330 0.000 1.374 450 M HN 0.267 nan 8.290 nan 0.000 0.411 451 T N 1.182 115.560 114.554 -0.294 0.000 2.708 451 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 451 T C 1.839 176.400 174.700 -0.231 0.000 1.037 451 T CA 1.016 62.956 62.100 -0.266 0.000 1.146 451 T CB -0.143 68.576 68.868 -0.248 0.000 0.865 451 T HN 0.114 nan 8.240 nan 0.000 0.435 452 L N 0.664 121.738 121.223 -0.248 0.000 2.046 452 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 452 L C 2.759 179.480 176.870 -0.248 0.000 1.077 452 L CA 1.148 55.858 54.840 -0.215 0.000 0.747 452 L CB -1.235 40.707 42.059 -0.196 0.000 0.896 452 L HN 0.383 nan 8.230 nan 0.000 0.432 453 c N -1.322 117.043 118.600 -0.392 0.000 2.429 453 c HA -0.134 4.435 4.570 -0.000 0.000 0.277 453 c C 2.959 176.912 174.090 -0.230 0.000 1.262 453 c CA 0.597 56.694 56.329 -0.387 0.000 1.733 453 c CB -1.100 41.052 42.510 -0.597 0.000 2.010 453 c HN 0.623 nan 8.230 nan 0.000 0.483 454 A N 0.172 122.889 122.820 -0.172 0.000 1.877 454 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 454 A C 2.104 179.696 177.584 0.014 0.000 1.186 454 A CA 1.361 53.386 52.037 -0.019 0.000 0.620 454 A CB -0.641 18.411 19.000 0.086 0.000 0.822 454 A HN 0.567 nan 8.150 nan 0.000 0.443 455 L N 0.138 121.350 121.223 -0.018 0.000 2.131 455 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 455 L C 2.838 179.696 176.870 -0.020 0.000 1.092 455 L CA 2.044 56.889 54.840 0.008 0.000 0.759 455 L CB -1.267 40.788 42.059 -0.005 0.000 0.903 455 L HN 0.700 nan 8.230 nan 0.000 0.435 456 T N -3.683 110.832 114.554 -0.065 0.000 2.939 456 T HA -0.026 4.324 4.350 -0.000 0.000 0.254 456 T C 1.737 176.375 174.700 -0.103 0.000 1.041 456 T CA 0.443 62.503 62.100 -0.066 0.000 1.142 456 T CB 0.031 68.856 68.868 -0.071 0.000 0.874 456 T HN 0.025 nan 8.240 nan 0.000 0.452 457 M N 0.119 119.632 119.600 -0.145 0.000 2.492 457 M HA 0.397 4.877 4.480 -0.000 0.000 0.255 457 M C 0.412 176.653 176.300 -0.099 0.000 1.139 457 M CA 0.728 55.933 55.300 -0.159 0.000 1.096 457 M CB -0.496 31.976 32.600 -0.213 0.000 1.360 457 M HN 0.123 nan 8.290 nan 0.000 0.480 458 K N 0.782 121.145 120.400 -0.062 0.000 3.271 458 K HA 0.264 4.584 4.320 -0.000 0.000 0.192 458 K C -2.480 174.108 176.600 -0.021 0.000 1.108 458 K CA -1.465 54.795 56.287 -0.045 0.000 0.902 458 K CB 0.526 33.002 32.500 -0.040 0.000 0.889 458 K HN 0.011 nan 8.250 nan 0.000 0.520 459 P HA -0.000 nan 4.420 nan 0.000 0.264 459 P C 0.728 178.019 177.300 -0.014 0.000 1.183 459 P CA 1.133 64.234 63.100 0.001 0.000 0.763 459 P CB 1.166 32.865 31.700 -0.001 0.000 0.807 460 G N 1.989 110.787 108.800 -0.004 0.000 2.268 460 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.240 460 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.240 460 G C 0.642 175.490 174.900 -0.086 0.000 1.010 460 G CA 0.279 45.360 45.100 -0.032 0.000 0.618 460 G HN 0.552 nan 8.290 nan 0.000 0.516 461 L N 0.279 121.421 121.223 -0.135 0.000 1.994 461 L HA 0.440 4.780 4.340 -0.000 0.000 0.208 461 L C 1.172 177.757 176.870 -0.475 0.000 1.071 461 L CA 1.685 56.319 54.840 -0.343 0.000 0.745 461 L CB -0.423 41.358 42.059 -0.463 0.000 0.892 461 L HN 0.266 nan 8.230 nan 0.000 0.431 462 F N -1.026 118.900 119.950 -0.040 0.000 2.483 462 F HA 0.302 4.829 4.527 -0.000 0.000 0.329 462 F C 1.504 177.262 175.800 -0.070 0.000 1.064 462 F CA -0.531 57.434 58.000 -0.058 0.000 0.986 462 F CB 0.953 39.945 39.000 -0.013 0.000 1.218 462 F HN -0.236 nan 8.300 nan 0.000 0.484 463 K N 0.931 121.355 120.400 0.040 0.000 2.228 463 K HA 0.420 4.739 4.320 -0.000 0.000 0.202 463 K C -0.184 176.499 176.600 0.137 0.000 1.051 463 K CA 0.863 57.133 56.287 -0.027 0.000 0.960 463 K CB 0.227 32.558 32.500 -0.282 0.000 0.743 463 K HN 0.729 nan 8.250 nan 0.000 0.458 464 A N -0.640 122.340 122.820 0.266 0.000 2.597 464 A HA 0.588 4.908 4.320 -0.000 0.000 0.292 464 A C -1.085 176.709 177.584 0.350 0.000 1.057 464 A CA -0.458 51.800 52.037 0.369 0.000 0.674 464 A CB 1.269 20.521 19.000 0.421 0.000 1.278 464 A HN 0.182 nan 8.150 nan 0.000 0.416 465 G N -0.601 108.378 108.800 0.298 0.000 2.571 465 G HA2 0.637 4.596 3.960 -0.000 0.000 0.304 465 G HA3 0.637 4.596 3.960 -0.000 0.000 0.304 465 G C -1.556 173.361 174.900 0.029 0.000 1.314 465 G CA -0.531 44.626 45.100 0.095 0.000 0.975 465 G HN 1.218 nan 8.290 nan 0.000 0.485 466 V N 0.821 120.688 119.914 -0.077 0.000 2.409 466 V HA 0.731 4.851 4.120 -0.000 0.000 0.291 466 V C 0.175 176.100 176.094 -0.282 0.000 1.020 466 V CA -0.692 61.493 62.300 -0.191 0.000 0.848 466 V CB 1.343 33.094 31.823 -0.120 0.000 0.990 466 V HN 1.140 nan 8.190 nan 0.000 0.430 467 A N 3.815 126.450 122.820 -0.308 0.000 2.310 467 A HA 0.839 5.159 4.320 -0.000 0.000 0.304 467 A C 0.172 177.513 177.584 -0.405 0.000 1.231 467 A CA -0.179 51.656 52.037 -0.337 0.000 0.799 467 A CB 1.060 19.928 19.000 -0.221 0.000 1.162 467 A HN 1.002 nan 8.150 nan 0.000 0.486 468 G N 0.867 109.238 108.800 -0.716 0.000 2.416 468 G HA2 0.650 4.610 3.960 -0.000 0.000 0.329 468 G HA3 0.650 4.610 3.960 -0.000 0.000 0.329 468 G C 0.654 175.342 174.900 -0.352 0.000 1.173 468 G CA 0.058 44.737 45.100 -0.701 0.000 0.929 468 G HN 2.282 nan 8.290 nan 0.000 0.475 469 A N 0.781 123.411 122.820 -0.318 0.000 2.462 469 A HA -0.020 4.300 4.320 -0.000 0.000 0.294 469 A C 1.197 178.723 177.584 -0.096 0.000 1.461 469 A CA 1.072 52.835 52.037 -0.457 0.000 0.765 469 A CB -2.034 16.801 19.000 -0.275 0.000 1.071 469 A HN 2.200 nan 8.150 nan 0.000 0.401 470 S N -1.393 114.308 115.700 0.002 0.000 2.693 470 S HA 0.738 5.208 4.470 -0.000 0.000 0.276 470 S C 0.051 174.649 174.600 -0.003 0.000 1.192 470 S CA -0.339 57.862 58.200 0.001 0.000 0.994 470 S CB 1.948 65.112 63.200 -0.060 0.000 1.012 470 S HN 1.130 nan 8.310 nan 0.000 0.550 471 V N 1.763 121.595 119.914 -0.137 0.000 2.394 471 V HA 0.397 4.517 4.120 -0.000 0.000 0.282 471 V C 0.582 176.516 176.094 -0.266 0.000 1.031 471 V CA -0.391 61.694 62.300 -0.359 0.000 0.881 471 V CB 1.300 32.579 31.823 -0.908 0.000 0.982 471 V HN 0.864 nan 8.190 nan 0.000 0.451 472 V N 2.875 122.628 119.914 -0.268 0.000 3.572 472 V HA 0.356 4.476 4.120 -0.000 0.000 0.260 472 V C -0.261 175.711 176.094 -0.203 0.000 1.324 472 V CA 0.616 62.806 62.300 -0.182 0.000 1.068 472 V CB 0.851 32.583 31.823 -0.151 0.000 0.837 472 V HN 0.965 nan 8.190 nan 0.000 0.450 473 D N -2.030 118.206 120.400 -0.274 0.000 2.616 473 D HA 0.188 4.828 4.640 -0.000 0.000 0.238 473 D C 0.100 176.300 176.300 -0.167 0.000 1.354 473 D CA -0.483 53.409 54.000 -0.180 0.000 0.970 473 D CB 0.739 41.492 40.800 -0.079 0.000 1.369 473 D HN 0.144 nan 8.370 nan 0.000 0.585 474 W N 2.202 123.517 121.300 0.025 0.000 2.374 474 W HA -0.031 4.629 4.660 -0.000 0.000 0.288 474 W C 1.871 178.439 176.519 0.083 0.000 1.218 474 W CA 0.377 57.745 57.345 0.039 0.000 1.245 474 W CB 0.184 29.652 29.460 0.014 0.000 1.126 474 W HN 0.505 nan 8.180 nan 0.000 0.545 475 E N 0.262 120.612 120.200 0.251 0.000 2.031 475 E HA -0.260 4.089 4.350 -0.000 0.000 0.193 475 E C 1.884 178.599 176.600 0.191 0.000 0.994 475 E CA 1.481 57.995 56.400 0.191 0.000 0.800 475 E CB -0.431 29.336 29.700 0.111 0.000 0.752 475 E HN 0.384 nan 8.360 nan 0.000 0.447 476 E N 0.778 121.045 120.200 0.111 0.000 2.106 476 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 476 E C 2.155 178.808 176.600 0.088 0.000 0.984 476 E CA 0.662 57.109 56.400 0.077 0.000 0.806 476 E CB -0.012 29.698 29.700 0.017 0.000 0.750 476 E HN 0.165 nan 8.360 nan 0.000 0.458 477 M N -0.177 119.479 119.600 0.095 0.000 2.080 477 M HA -0.243 4.237 4.480 -0.000 0.000 0.260 477 M C 2.117 178.522 176.300 0.174 0.000 1.068 477 M CA 1.742 57.098 55.300 0.093 0.000 1.109 477 M CB -0.328 32.323 32.600 0.085 0.000 1.342 477 M HN 0.245 nan 8.290 nan 0.000 0.405 478 Y N 1.280 121.675 120.300 0.158 0.000 2.114 478 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 478 Y C 2.000 177.964 175.900 0.105 0.000 1.165 478 Y CA 2.509 60.707 58.100 0.165 0.000 1.148 478 Y CB -0.416 38.142 38.460 0.163 0.000 0.972 478 Y HN 0.388 nan 8.280 nan 0.000 0.504 479 E N -0.859 119.437 120.200 0.160 0.000 2.333 479 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 479 E C 1.235 177.817 176.600 -0.029 0.000 1.007 479 E CA 0.629 57.055 56.400 0.044 0.000 0.845 479 E CB -0.067 29.694 29.700 0.103 0.000 0.766 479 E HN 0.314 nan 8.360 nan 0.000 0.507 480 L N 0.160 121.372 121.223 -0.018 0.000 2.607 480 L HA 0.146 4.486 4.340 -0.000 0.000 0.228 480 L C 0.349 177.188 176.870 -0.052 0.000 1.123 480 L CA 0.563 55.383 54.840 -0.034 0.000 0.890 480 L CB 0.384 42.427 42.059 -0.027 0.000 1.103 480 L HN -0.203 nan 8.230 nan 0.000 0.468 481 S N 0.027 115.685 115.700 -0.070 0.000 2.616 481 S HA 0.303 4.773 4.470 -0.000 0.000 0.277 481 S C -0.080 174.498 174.600 -0.038 0.000 1.234 481 S CA -0.822 57.360 58.200 -0.030 0.000 1.028 481 S CB 1.399 64.629 63.200 0.049 0.000 0.988 481 S HN 0.372 nan 8.310 nan 0.000 0.522 482 D N 0.941 121.366 120.400 0.042 0.000 2.414 482 D HA 0.390 5.029 4.640 -0.000 0.000 0.259 482 D C 1.211 177.499 176.300 -0.021 0.000 1.269 482 D CA -0.268 53.740 54.000 0.013 0.000 1.028 482 D CB 0.062 40.888 40.800 0.044 0.000 1.093 482 D HN 0.374 nan 8.370 nan 0.000 0.545 483 A N -0.105 122.679 122.820 -0.059 0.000 1.940 483 A HA -0.020 4.299 4.320 -0.000 0.000 0.219 483 A C 2.180 179.676 177.584 -0.147 0.000 1.176 483 A CA 2.645 54.628 52.037 -0.090 0.000 0.631 483 A CB -1.372 17.574 19.000 -0.089 0.000 0.814 483 A HN 0.692 nan 8.150 nan 0.000 0.446 484 A N -1.215 121.429 122.820 -0.293 0.000 1.855 484 A HA 0.057 4.376 4.320 -0.000 0.000 0.215 484 A C 1.953 179.235 177.584 -0.504 0.000 1.191 484 A CA 1.423 53.015 52.037 -0.742 0.000 0.613 484 A CB -0.730 17.405 19.000 -1.441 0.000 0.829 484 A HN 0.463 nan 8.150 nan 0.000 0.442 485 F N -0.088 119.809 119.950 -0.088 0.000 2.234 485 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 485 F C 2.581 178.532 175.800 0.251 0.000 1.087 485 F CA 1.222 59.332 58.000 0.184 0.000 1.340 485 F CB -0.126 38.929 39.000 0.091 0.000 1.031 485 F HN 0.100 nan 8.300 nan 0.000 0.500 486 R N 0.041 120.662 120.500 0.201 0.000 2.081 486 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 486 R C 2.145 178.652 176.300 0.345 0.000 1.131 486 R CA 1.410 57.592 56.100 0.136 0.000 0.960 486 R CB -0.733 29.443 30.300 -0.206 0.000 0.856 486 R HN 0.331 nan 8.270 nan 0.000 0.436 487 N N 0.685 119.516 118.700 0.219 0.000 2.188 487 N HA -0.187 4.553 4.740 -0.000 0.000 0.184 487 N C 1.739 177.421 175.510 0.287 0.000 1.018 487 N CA 1.012 54.193 53.050 0.219 0.000 0.858 487 N CB -0.039 38.535 38.487 0.145 0.000 0.989 487 N HN 0.119 nan 8.380 nan 0.000 0.426 488 F N 1.905 121.976 119.950 0.202 0.000 2.069 488 F HA -0.098 4.428 4.527 -0.000 0.000 0.298 488 F C 2.221 178.078 175.800 0.096 0.000 1.113 488 F CA 1.349 59.458 58.000 0.182 0.000 1.214 488 F CB -0.397 38.740 39.000 0.229 0.000 0.978 488 F HN -0.042 nan 8.300 nan 0.000 0.474 489 I N 0.500 121.279 120.570 0.350 0.000 2.286 489 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 489 I C 2.234 178.277 176.117 -0.124 0.000 1.115 489 I CA 1.741 63.081 61.300 0.066 0.000 1.392 489 I CB -0.673 37.585 38.000 0.431 0.000 1.065 489 I HN 0.287 nan 8.210 nan 0.000 0.418 490 E N 0.481 120.703 120.200 0.035 0.000 2.077 490 E HA -0.255 4.094 4.350 -0.000 0.000 0.193 490 E C 2.233 178.781 176.600 -0.086 0.000 0.989 490 E CA 1.071 57.452 56.400 -0.033 0.000 0.800 490 E CB -0.104 29.637 29.700 0.068 0.000 0.746 490 E HN 0.565 nan 8.360 nan 0.000 0.452 491 Q N 0.262 120.017 119.800 -0.074 0.000 2.046 491 Q HA -0.145 4.194 4.340 -0.000 0.000 0.200 491 Q C 2.356 178.241 176.000 -0.191 0.000 0.975 491 Q CA 0.822 56.581 55.803 -0.074 0.000 0.836 491 Q CB -0.124 28.621 28.738 0.011 0.000 0.896 491 Q HN 0.180 nan 8.270 nan 0.000 0.428 492 L N 0.858 121.838 121.223 -0.404 0.000 2.046 492 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 492 L C 2.230 178.869 176.870 -0.385 0.000 1.077 492 L CA 2.360 56.903 54.840 -0.495 0.000 0.747 492 L CB -0.710 40.829 42.059 -0.866 0.000 0.896 492 L HN 0.302 nan 8.230 nan 0.000 0.432 493 T N -3.954 110.360 114.554 -0.401 0.000 3.107 493 T HA 0.312 4.662 4.350 -0.000 0.000 0.249 493 T C 1.411 176.003 174.700 -0.181 0.000 1.096 493 T CA 0.274 62.183 62.100 -0.317 0.000 1.012 493 T CB -0.363 68.281 68.868 -0.373 0.000 0.977 493 T HN 0.638 nan 8.240 nan 0.000 0.527 494 G N 1.031 109.745 108.800 -0.144 0.000 2.168 494 G HA2 0.020 3.979 3.960 -0.000 0.000 0.257 494 G HA3 0.020 3.979 3.960 -0.000 0.000 0.257 494 G C 1.113 175.967 174.900 -0.077 0.000 0.997 494 G CA 0.382 45.432 45.100 -0.083 0.000 0.708 494 G HN 1.794 nan 8.290 nan 0.000 0.520 495 G N -1.543 107.193 108.800 -0.105 0.000 2.148 495 G HA2 0.019 3.978 3.960 -0.000 0.000 0.254 495 G HA3 0.019 3.978 3.960 -0.000 0.000 0.254 495 G C 0.505 175.344 174.900 -0.102 0.000 0.981 495 G CA 1.391 46.431 45.100 -0.101 0.000 0.670 495 G HN 2.229 nan 8.290 nan 0.000 0.528 496 S N -0.454 115.185 115.700 -0.101 0.000 2.452 496 S HA 0.540 5.009 4.470 -0.000 0.000 0.284 496 S C 1.618 176.170 174.600 -0.080 0.000 1.171 496 S CA -0.195 57.959 58.200 -0.076 0.000 1.064 496 S CB 1.001 64.169 63.200 -0.055 0.000 0.967 496 S HN 0.366 nan 8.310 nan 0.000 0.484 497 R N 2.972 123.433 120.500 -0.065 0.000 2.120 497 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 497 R C 1.698 177.988 176.300 -0.016 0.000 1.123 497 R CA 1.665 57.734 56.100 -0.051 0.000 0.975 497 R CB -0.078 30.198 30.300 -0.039 0.000 0.866 497 R HN 0.781 nan 8.270 nan 0.000 0.446 498 E N 0.282 120.475 120.200 -0.012 0.000 2.031 498 E HA -0.194 4.155 4.350 -0.000 0.000 0.193 498 E C 2.004 178.619 176.600 0.025 0.000 0.994 498 E CA 1.070 57.475 56.400 0.008 0.000 0.800 498 E CB -0.032 29.671 29.700 0.005 0.000 0.752 498 E HN 0.200 nan 8.360 nan 0.000 0.447 499 I N 0.850 121.423 120.570 0.005 0.000 2.179 499 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 499 I C 2.467 178.613 176.117 0.049 0.000 1.088 499 I CA 1.483 62.789 61.300 0.011 0.000 1.357 499 I CB -0.856 37.116 38.000 -0.047 0.000 1.051 499 I HN 0.244 nan 8.210 nan 0.000 0.409 500 M N -0.218 119.391 119.600 0.015 0.000 2.149 500 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 500 M C 2.467 178.897 176.300 0.217 0.000 1.064 500 M CA 1.864 57.229 55.300 0.108 0.000 1.102 500 M CB -0.342 32.281 32.600 0.039 0.000 1.369 500 M HN 0.187 nan 8.290 nan 0.000 0.408 501 R N -0.348 120.226 120.500 0.123 0.000 2.052 501 R HA -0.043 4.296 4.340 -0.000 0.000 0.226 501 R C 2.499 178.878 176.300 0.132 0.000 1.145 501 R CA 1.763 57.927 56.100 0.106 0.000 0.952 501 R CB -0.737 29.592 30.300 0.048 0.000 0.847 501 R HN 0.430 nan 8.270 nan 0.000 0.431 502 S N 1.091 116.868 115.700 0.128 0.000 2.400 502 S HA -0.075 4.394 4.470 -0.000 0.000 0.232 502 S C 1.619 176.396 174.600 0.294 0.000 1.025 502 S CA 0.858 59.167 58.200 0.181 0.000 0.993 502 S CB -0.094 63.186 63.200 0.134 0.000 0.808 502 S HN 0.137 nan 8.310 nan 0.000 0.478 503 R N 1.655 122.321 120.500 0.276 0.000 2.391 503 R HA 0.389 4.729 4.340 -0.000 0.000 0.249 503 R C -0.311 176.252 176.300 0.439 0.000 0.957 503 R CA -0.028 56.273 56.100 0.335 0.000 1.093 503 R CB -0.700 29.814 30.300 0.357 0.000 1.156 503 R HN 0.334 nan 8.270 nan 0.000 0.526 504 S N 1.741 117.645 115.700 0.341 0.000 2.433 504 S HA 0.278 4.748 4.470 -0.000 0.000 0.310 504 S C -1.789 172.925 174.600 0.189 0.000 1.097 504 S CA -1.263 57.063 58.200 0.210 0.000 1.103 504 S CB 2.178 65.446 63.200 0.114 0.000 0.992 504 S HN -0.072 nan 8.310 nan 0.000 0.469 505 P HA -0.100 nan 4.420 nan 0.000 0.217 505 P C 1.344 178.675 177.300 0.052 0.000 1.148 505 P CA 0.445 63.595 63.100 0.083 0.000 0.828 505 P CB 0.071 31.743 31.700 -0.048 0.000 0.783 506 I N -0.490 120.072 120.570 -0.012 0.000 2.657 506 I HA -0.214 3.956 4.170 -0.000 0.000 0.261 506 I C 0.822 176.897 176.117 -0.071 0.000 1.212 506 I CA 1.666 62.933 61.300 -0.055 0.000 1.453 506 I CB -0.754 37.204 38.000 -0.070 0.000 1.092 506 I HN -0.069 nan 8.210 nan 0.000 0.452 507 N N -1.479 117.163 118.700 -0.097 0.000 2.235 507 N HA 0.110 4.850 4.740 -0.000 0.000 0.209 507 N C 0.000 175.227 175.510 -0.473 0.000 1.122 507 N CA 0.153 53.045 53.050 -0.264 0.000 0.845 507 N CB 0.167 38.465 38.487 -0.315 0.000 1.004 507 N HN 0.434 nan 8.380 nan 0.000 0.499 508 H N -1.600 117.449 119.070 -0.036 0.000 2.777 508 H HA 0.194 4.750 4.556 -0.000 0.000 0.244 508 H C 1.060 176.361 175.328 -0.045 0.000 1.185 508 H CA -0.237 55.790 56.048 -0.035 0.000 0.945 508 H CB 0.469 30.210 29.762 -0.036 0.000 1.994 508 H HN -0.068 nan 8.280 nan 0.000 0.638 509 V N 0.343 120.269 119.914 0.020 0.000 2.392 509 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 509 V C 1.781 177.872 176.094 -0.004 0.000 1.059 509 V CA 2.030 64.322 62.300 -0.014 0.000 1.051 509 V CB -0.124 31.666 31.823 -0.056 0.000 0.658 509 V HN 0.567 nan 8.190 nan 0.000 0.455 510 D N 0.175 120.576 120.400 0.001 0.000 2.190 510 D HA -0.180 4.460 4.640 -0.000 0.000 0.200 510 D C 2.311 178.620 176.300 0.016 0.000 0.992 510 D CA 1.234 55.237 54.000 0.005 0.000 0.854 510 D CB -0.198 40.605 40.800 0.005 0.000 0.936 510 D HN 0.495 nan 8.370 nan 0.000 0.462 511 R N 0.037 120.554 120.500 0.028 0.000 2.236 511 R HA 0.140 4.480 4.340 -0.000 0.000 0.208 511 R C 0.958 177.267 176.300 0.014 0.000 1.036 511 R CA -0.026 56.088 56.100 0.022 0.000 1.001 511 R CB 0.254 30.571 30.300 0.028 0.000 0.896 511 R HN 0.193 nan 8.270 nan 0.000 0.464 512 I N 1.890 122.467 120.570 0.012 0.000 2.683 512 I HA -0.109 4.061 4.170 -0.000 0.000 0.286 512 I C 1.155 177.288 176.117 0.027 0.000 1.175 512 I CA 0.976 62.284 61.300 0.014 0.000 1.429 512 I CB 0.639 38.641 38.000 0.003 0.000 1.371 512 I HN 0.090 nan 8.210 nan 0.000 0.569 513 K N 3.584 124.006 120.400 0.037 0.000 2.529 513 K HA 0.188 4.508 4.320 -0.000 0.000 0.215 513 K C -0.163 176.475 176.600 0.064 0.000 1.286 513 K CA -0.136 56.177 56.287 0.044 0.000 0.997 513 K CB 0.756 33.275 32.500 0.031 0.000 1.063 513 K HN 0.477 nan 8.250 nan 0.000 0.590 514 E N 1.329 121.577 120.200 0.080 0.000 2.222 514 E HA 0.257 4.607 4.350 -0.000 0.000 0.272 514 E C -2.685 174.006 176.600 0.153 0.000 0.982 514 E CA -2.208 54.261 56.400 0.115 0.000 0.842 514 E CB 0.796 30.576 29.700 0.134 0.000 1.144 514 E HN -0.164 nan 8.360 nan 0.000 0.397 515 P HA 0.097 nan 4.420 nan 0.000 0.269 515 P C -1.204 176.304 177.300 0.346 0.000 1.209 515 P CA -0.188 63.090 63.100 0.297 0.000 0.776 515 P CB 0.421 32.333 31.700 0.353 0.000 0.876 516 L N 2.110 123.474 121.223 0.235 0.000 2.431 516 L HA 0.763 5.103 4.340 -0.000 0.000 0.266 516 L C -1.336 175.387 176.870 -0.244 0.000 0.978 516 L CA -0.771 54.085 54.840 0.028 0.000 0.822 516 L CB 1.835 43.907 42.059 0.021 0.000 1.310 516 L HN 0.388 nan 8.230 nan 0.000 0.409 517 A N 5.976 128.442 122.820 -0.590 0.000 2.273 517 A HA 0.737 5.057 4.320 -0.000 0.000 0.315 517 A C -1.196 176.216 177.584 -0.286 0.000 1.256 517 A CA -0.462 51.184 52.037 -0.652 0.000 0.851 517 A CB 0.410 18.652 19.000 -1.263 0.000 1.172 517 A HN 0.709 nan 8.150 nan 0.000 0.508 518 L N 3.473 124.622 121.223 -0.124 0.000 2.282 518 L HA 0.563 4.903 4.340 -0.000 0.000 0.288 518 L C -0.613 176.267 176.870 0.018 0.000 1.033 518 L CA -0.202 54.602 54.840 -0.060 0.000 0.807 518 L CB 1.283 43.330 42.059 -0.020 0.000 1.209 518 L HN 0.572 nan 8.230 nan 0.000 0.423 519 I N 2.366 122.942 120.570 0.010 0.000 2.466 519 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 519 I C -1.000 175.175 176.117 0.097 0.000 1.026 519 I CA -0.538 60.815 61.300 0.087 0.000 1.078 519 I CB 1.997 40.039 38.000 0.069 0.000 1.249 519 I HN 0.584 nan 8.210 nan 0.000 0.429 520 H N 5.906 125.001 119.070 0.043 0.000 3.026 520 H HA 0.372 4.928 4.556 -0.000 0.000 0.352 520 H C -2.816 172.537 175.328 0.041 0.000 1.090 520 H CA -1.263 54.803 56.048 0.029 0.000 1.268 520 H CB 3.030 32.791 29.762 -0.002 0.000 1.816 520 H HN 0.232 nan 8.280 nan 0.000 0.518 521 P HA 0.030 nan 4.420 nan 0.000 0.276 521 P C 0.196 177.589 177.300 0.156 0.000 1.235 521 P CA -0.234 62.909 63.100 0.071 0.000 0.772 521 P CB 0.990 32.696 31.700 0.010 0.000 0.871 522 Q N 2.780 122.646 119.800 0.110 0.000 2.170 522 Q HA -0.162 4.177 4.340 -0.000 0.000 0.203 522 Q C 0.367 176.412 176.000 0.075 0.000 0.976 522 Q CA 1.543 57.401 55.803 0.091 0.000 0.858 522 Q CB -0.483 28.287 28.738 0.053 0.000 0.907 522 Q HN 0.287 nan 8.270 nan 0.000 0.433 523 N N 1.304 120.041 118.700 0.062 0.000 2.279 523 N HA 0.057 4.797 4.740 -0.000 0.000 0.226 523 N C -0.886 174.649 175.510 0.041 0.000 1.126 523 N CA 0.008 53.081 53.050 0.040 0.000 0.846 523 N CB 0.260 38.761 38.487 0.023 0.000 1.050 523 N HN 0.286 nan 8.380 nan 0.000 0.502 524 D N 1.045 121.491 120.400 0.077 0.000 2.487 524 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 524 D C 0.830 177.128 176.300 -0.002 0.000 1.154 524 D CA 0.418 54.459 54.000 0.069 0.000 0.876 524 D CB 0.788 41.665 40.800 0.128 0.000 1.161 524 D HN 0.203 nan 8.370 nan 0.000 0.478 525 S N 3.246 118.904 115.700 -0.071 0.000 2.539 525 S HA 0.170 4.640 4.470 -0.000 0.000 0.221 525 S C 1.305 175.688 174.600 -0.361 0.000 0.987 525 S CA -0.412 57.701 58.200 -0.146 0.000 0.929 525 S CB 0.585 63.726 63.200 -0.097 0.000 0.832 525 S HN 0.428 nan 8.310 nan 0.000 0.492 526 R N 1.777 121.978 120.500 -0.498 0.000 2.072 526 R HA 0.132 4.472 4.340 -0.000 0.000 0.214 526 R C 0.247 176.134 176.300 -0.688 0.000 1.168 526 R CA 1.289 56.752 56.100 -1.063 0.000 1.020 526 R CB -0.490 29.157 30.300 -1.090 0.000 0.914 526 R HN 0.505 nan 8.270 nan 0.000 0.449 527 T N 1.612 115.943 114.554 -0.371 0.000 3.053 527 T HA 0.339 4.689 4.350 -0.000 0.000 0.363 527 T C -2.539 172.204 174.700 0.072 0.000 1.239 527 T CA -2.209 59.815 62.100 -0.126 0.000 1.071 527 T CB 1.483 70.336 68.868 -0.025 0.000 1.089 527 T HN -0.051 nan 8.240 nan 0.000 0.527 528 P HA 0.047 nan 4.420 nan 0.000 0.267 528 P C 0.815 178.079 177.300 -0.061 0.000 1.200 528 P CA -0.605 62.497 63.100 0.002 0.000 0.772 528 P CB 1.130 32.796 31.700 -0.057 0.000 0.855 529 L N 3.565 124.727 121.223 -0.102 0.000 2.109 529 L HA -0.077 4.262 4.340 -0.000 0.000 0.207 529 L C 2.592 179.313 176.870 -0.249 0.000 1.086 529 L CA 1.792 56.434 54.840 -0.331 0.000 0.760 529 L CB -1.026 40.947 42.059 -0.142 0.000 0.910 529 L HN 0.328 nan 8.230 nan 0.000 0.437 530 K N -0.184 120.132 120.400 -0.139 0.000 2.052 530 K HA -0.209 4.111 4.320 -0.000 0.000 0.215 530 K C -0.516 176.008 176.600 -0.126 0.000 1.053 530 K CA 2.377 58.598 56.287 -0.110 0.000 0.934 530 K CB -1.109 31.348 32.500 -0.071 0.000 0.717 530 K HN 0.304 nan 8.250 nan 0.000 0.450 531 P HA -0.149 nan 4.420 nan 0.000 0.218 531 P C 1.042 178.241 177.300 -0.169 0.000 1.149 531 P CA 0.827 63.848 63.100 -0.132 0.000 0.817 531 P CB 0.115 31.740 31.700 -0.125 0.000 0.785 532 L N -1.274 119.807 121.223 -0.237 0.000 2.141 532 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 532 L C 2.224 178.975 176.870 -0.199 0.000 1.094 532 L CA 1.623 56.310 54.840 -0.255 0.000 0.763 532 L CB -1.489 40.325 42.059 -0.407 0.000 0.908 532 L HN 0.080 nan 8.230 nan 0.000 0.437 533 L N -0.820 120.301 121.223 -0.169 0.000 2.083 533 L HA -0.214 4.125 4.340 -0.000 0.000 0.209 533 L C 2.723 179.526 176.870 -0.112 0.000 1.083 533 L CA 0.836 55.606 54.840 -0.117 0.000 0.752 533 L CB -0.500 41.506 42.059 -0.087 0.000 0.899 533 L HN 0.216 nan 8.230 nan 0.000 0.433 534 R N 0.783 121.214 120.500 -0.114 0.000 2.075 534 R HA -0.177 4.163 4.340 -0.000 0.000 0.232 534 R C 2.173 178.392 176.300 -0.135 0.000 1.126 534 R CA 1.313 57.351 56.100 -0.103 0.000 0.963 534 R CB -0.586 29.660 30.300 -0.090 0.000 0.858 534 R HN 0.196 nan 8.270 nan 0.000 0.435 535 L N 0.189 121.313 121.223 -0.165 0.000 2.042 535 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 535 L C 1.957 178.645 176.870 -0.303 0.000 1.076 535 L CA 1.907 56.622 54.840 -0.208 0.000 0.749 535 L CB -0.340 41.592 42.059 -0.212 0.000 0.893 535 L HN 0.320 nan 8.230 nan 0.000 0.432 536 M N -0.992 118.423 119.600 -0.309 0.000 2.159 536 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 536 M C 2.146 178.285 176.300 -0.268 0.000 1.063 536 M CA 1.608 56.651 55.300 -0.428 0.000 1.110 536 M CB -1.040 31.470 32.600 -0.150 0.000 1.374 536 M HN 0.480 nan 8.290 nan 0.000 0.411 537 G N 0.004 108.715 108.800 -0.147 0.000 2.408 537 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 537 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 537 G C 1.468 176.313 174.900 -0.093 0.000 1.150 537 G CA 0.573 45.624 45.100 -0.081 0.000 0.776 537 G HN 0.333 nan 8.290 nan 0.000 0.542 538 E N 0.504 120.625 120.200 -0.131 0.000 2.072 538 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 538 E C 2.727 179.251 176.600 -0.126 0.000 0.985 538 E CA 0.381 56.714 56.400 -0.113 0.000 0.801 538 E CB -0.381 29.248 29.700 -0.118 0.000 0.750 538 E HN 0.431 nan 8.360 nan 0.000 0.452 539 L N 0.531 121.612 121.223 -0.236 0.000 2.042 539 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 539 L C 2.582 179.423 176.870 -0.050 0.000 1.076 539 L CA 0.695 55.386 54.840 -0.248 0.000 0.749 539 L CB -0.520 41.113 42.059 -0.709 0.000 0.893 539 L HN 0.153 nan 8.230 nan 0.000 0.432 540 L N 0.414 121.633 121.223 -0.005 0.000 1.976 540 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 540 L C 2.627 179.535 176.870 0.064 0.000 1.071 540 L CA 2.171 57.098 54.840 0.144 0.000 0.746 540 L CB -0.935 41.215 42.059 0.151 0.000 0.890 540 L HN 0.130 nan 8.230 nan 0.000 0.432 541 A N -0.496 122.335 122.820 0.018 0.000 2.024 541 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 541 A C 2.243 179.832 177.584 0.008 0.000 1.164 541 A CA 1.752 53.794 52.037 0.008 0.000 0.643 541 A CB -0.585 18.409 19.000 -0.009 0.000 0.806 541 A HN 0.583 nan 8.150 nan 0.000 0.451 542 R N -1.383 119.119 120.500 0.004 0.000 2.388 542 R HA 0.271 4.611 4.340 -0.000 0.000 0.247 542 R C 1.094 177.409 176.300 0.026 0.000 0.931 542 R CA 0.443 56.547 56.100 0.006 0.000 1.082 542 R CB -0.031 30.264 30.300 -0.009 0.000 1.135 542 R HN 0.597 nan 8.270 nan 0.000 0.525 543 G N 1.864 110.691 108.800 0.045 0.000 2.179 543 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.257 543 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.257 543 G C -0.198 174.749 174.900 0.079 0.000 1.010 543 G CA 0.111 45.248 45.100 0.060 0.000 0.736 543 G HN 0.096 nan 8.290 nan 0.000 0.513 544 K N 0.723 121.182 120.400 0.098 0.000 2.218 544 K HA 0.404 4.724 4.320 -0.000 0.000 0.276 544 K C 0.639 177.370 176.600 0.218 0.000 1.022 544 K CA -0.186 56.173 56.287 0.120 0.000 0.946 544 K CB 0.765 33.308 32.500 0.071 0.000 1.000 544 K HN 0.121 nan 8.250 nan 0.000 0.468 545 T N 4.035 118.696 114.554 0.179 0.000 2.870 545 T HA 0.388 4.737 4.350 -0.000 0.000 0.300 545 T C -0.110 174.766 174.700 0.294 0.000 0.989 545 T CA 0.042 62.251 62.100 0.182 0.000 1.139 545 T CB -0.393 68.556 68.868 0.136 0.000 0.920 545 T HN 0.494 nan 8.240 nan 0.000 0.537 546 F N 0.810 120.776 119.950 0.027 0.000 2.744 546 F HA 0.649 5.176 4.527 -0.000 0.000 0.311 546 F C -1.241 174.538 175.800 -0.035 0.000 1.144 546 F CA -1.263 56.731 58.000 -0.009 0.000 0.938 546 F CB 1.368 40.341 39.000 -0.045 0.000 1.292 546 F HN 0.573 nan 8.300 nan 0.000 0.444 547 E N 2.518 122.656 120.200 -0.104 0.000 2.369 547 E HA 0.902 5.252 4.350 -0.000 0.000 0.270 547 E C -1.843 174.667 176.600 -0.149 0.000 0.909 547 E CA -1.488 54.754 56.400 -0.265 0.000 0.775 547 E CB 2.524 32.139 29.700 -0.140 0.000 1.270 547 E HN 1.301 nan 8.360 nan 0.000 0.445 548 A N 1.930 124.546 122.820 -0.340 0.000 2.520 548 A HA 0.543 4.863 4.320 -0.000 0.000 0.298 548 A C -1.616 175.628 177.584 -0.567 0.000 1.051 548 A CA -0.784 51.103 52.037 -0.251 0.000 0.690 548 A CB 1.495 20.512 19.000 0.028 0.000 1.281 548 A HN 0.681 nan 8.150 nan 0.000 0.402 549 H N 1.877 120.965 119.070 0.029 0.000 2.823 549 H HA 0.418 4.974 4.556 -0.000 0.000 0.332 549 H C -1.225 174.134 175.328 0.053 0.000 0.980 549 H CA -0.247 55.822 56.048 0.035 0.000 1.286 549 H CB 1.406 31.186 29.762 0.030 0.000 1.541 549 H HN 0.533 nan 8.280 nan 0.000 0.521 550 I N 4.446 125.090 120.570 0.124 0.000 2.354 550 I HA 0.158 4.328 4.170 -0.000 0.000 0.292 550 I C -0.166 176.012 176.117 0.101 0.000 0.989 550 I CA -0.878 60.488 61.300 0.110 0.000 1.188 550 I CB 1.258 39.299 38.000 0.068 0.000 1.342 550 I HN 0.277 nan 8.210 nan 0.000 0.457 551 I N 9.244 129.872 120.570 0.097 0.000 2.353 551 I HA 0.308 4.478 4.170 -0.000 0.000 0.293 551 I C -2.012 174.139 176.117 0.056 0.000 0.992 551 I CA -2.412 58.930 61.300 0.070 0.000 1.268 551 I CB 0.676 38.711 38.000 0.059 0.000 1.387 551 I HN 0.315 nan 8.210 nan 0.000 0.478 552 P HA 0.124 nan 4.420 nan 0.000 0.277 552 P C -0.648 176.670 177.300 0.030 0.000 1.240 552 P CA -0.119 63.002 63.100 0.035 0.000 0.798 552 P CB 0.629 32.346 31.700 0.030 0.000 0.979 553 D N -1.061 119.355 120.400 0.027 0.000 2.692 553 D HA -0.153 4.486 4.640 -0.000 0.000 0.233 553 D C -0.004 176.311 176.300 0.026 0.000 1.172 553 D CA 1.585 55.599 54.000 0.023 0.000 0.636 553 D CB -1.420 39.391 40.800 0.018 0.000 1.028 553 D HN 0.638 nan 8.370 nan 0.000 0.419 554 A N -1.006 121.833 122.820 0.031 0.000 2.587 554 A HA 0.879 5.199 4.320 -0.000 0.000 0.293 554 A C 0.463 178.069 177.584 0.037 0.000 1.087 554 A CA -0.011 52.045 52.037 0.032 0.000 0.692 554 A CB 2.138 21.155 19.000 0.027 0.000 1.291 554 A HN 0.293 nan 8.150 nan 0.000 0.407 555 G N -1.281 107.542 108.800 0.039 0.000 3.243 555 G HA2 0.441 4.401 3.960 -0.000 0.000 0.248 555 G HA3 0.441 4.401 3.960 -0.000 0.000 0.248 555 G C 0.320 175.254 174.900 0.058 0.000 1.267 555 G CA 0.114 45.246 45.100 0.054 0.000 0.906 555 G HN 0.847 nan 8.290 nan 0.000 0.592 556 H N -0.293 118.767 119.070 -0.017 0.000 2.387 556 H HA 0.245 4.801 4.556 -0.000 0.000 0.299 556 H C 1.778 177.114 175.328 0.014 0.000 1.090 556 H CA 1.581 57.619 56.048 -0.016 0.000 1.332 556 H CB 0.031 29.779 29.762 -0.024 0.000 1.386 556 H HN 0.464 nan 8.280 nan 0.000 0.516 557 A N 0.675 123.569 122.820 0.124 0.000 2.506 557 A HA 0.342 4.662 4.320 -0.000 0.000 0.320 557 A C -0.533 177.062 177.584 0.018 0.000 1.424 557 A CA -0.486 51.595 52.037 0.073 0.000 1.044 557 A CB -0.742 18.337 19.000 0.130 0.000 1.140 557 A HN 0.218 nan 8.150 nan 0.000 0.538 558 I N 2.868 123.413 120.570 -0.042 0.000 2.556 558 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 558 I C 1.155 177.239 176.117 -0.056 0.000 1.114 558 I CA 0.410 61.682 61.300 -0.048 0.000 1.418 558 I CB 0.600 38.548 38.000 -0.087 0.000 1.394 558 I HN 0.750 nan 8.210 nan 0.000 0.552 559 N N 2.763 121.480 118.700 0.029 0.000 2.184 559 N HA 0.065 4.805 4.740 -0.000 0.000 0.234 559 N C -0.376 175.283 175.510 0.249 0.000 1.282 559 N CA -0.241 52.864 53.050 0.093 0.000 0.877 559 N CB 0.480 39.005 38.487 0.063 0.000 1.184 559 N HN 0.586 nan 8.380 nan 0.000 0.510 560 T N -3.010 111.694 114.554 0.250 0.000 2.900 560 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 560 T C 1.132 175.964 174.700 0.220 0.000 1.044 560 T CA -0.737 61.478 62.100 0.191 0.000 0.995 560 T CB 1.720 70.627 68.868 0.065 0.000 1.072 560 T HN -0.109 nan 8.240 nan 0.000 0.473 561 M N 0.811 120.406 119.600 -0.008 0.000 2.159 561 M HA -0.050 4.430 4.480 -0.000 0.000 0.263 561 M C 2.194 178.491 176.300 -0.004 0.000 1.063 561 M CA 1.716 56.983 55.300 -0.055 0.000 1.110 561 M CB -0.449 31.972 32.600 -0.298 0.000 1.374 561 M HN 0.798 nan 8.290 nan 0.000 0.411 562 E N 0.423 120.610 120.200 -0.021 0.000 2.110 562 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 562 E C 1.526 178.122 176.600 -0.006 0.000 0.988 562 E CA 1.087 57.476 56.400 -0.019 0.000 0.804 562 E CB -0.020 29.668 29.700 -0.019 0.000 0.745 562 E HN 0.422 nan 8.360 nan 0.000 0.458 563 D N 0.137 120.547 120.400 0.017 0.000 2.178 563 D HA -0.102 4.538 4.640 -0.000 0.000 0.202 563 D C 1.792 178.088 176.300 -0.008 0.000 0.974 563 D CA 1.075 55.082 54.000 0.012 0.000 0.841 563 D CB -0.175 40.640 40.800 0.025 0.000 0.953 563 D HN 0.159 nan 8.370 nan 0.000 0.478 564 A N 0.441 123.267 122.820 0.009 0.000 1.902 564 A HA -0.128 4.191 4.320 -0.000 0.000 0.217 564 A C 2.490 180.015 177.584 -0.098 0.000 1.181 564 A CA 1.100 53.106 52.037 -0.051 0.000 0.623 564 A CB -0.674 18.340 19.000 0.023 0.000 0.818 564 A HN 0.143 nan 8.150 nan 0.000 0.443 565 V N 0.247 120.118 119.914 -0.071 0.000 2.343 565 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 565 V C 2.397 178.425 176.094 -0.110 0.000 1.051 565 V CA 2.375 64.614 62.300 -0.102 0.000 1.036 565 V CB -0.709 31.065 31.823 -0.083 0.000 0.654 565 V HN 0.562 nan 8.190 nan 0.000 0.451 566 K N 0.255 120.613 120.400 -0.070 0.000 2.152 566 K HA -0.137 4.182 4.320 -0.000 0.000 0.206 566 K C 1.972 178.544 176.600 -0.047 0.000 1.048 566 K CA 1.940 58.193 56.287 -0.056 0.000 0.933 566 K CB -0.321 32.169 32.500 -0.015 0.000 0.721 566 K HN 0.719 nan 8.250 nan 0.000 0.447 567 I N -2.365 118.186 120.570 -0.033 0.000 2.852 567 I HA -0.037 4.133 4.170 -0.000 0.000 0.264 567 I C 1.953 178.101 176.117 0.052 0.000 1.179 567 I CA 0.509 61.832 61.300 0.038 0.000 1.480 567 I CB -0.004 38.027 38.000 0.052 0.000 1.111 567 I HN -0.071 nan 8.210 nan 0.000 0.441 568 L N 0.616 121.791 121.223 -0.079 0.000 2.145 568 L HA 0.151 4.491 4.340 -0.000 0.000 0.201 568 L C 2.115 178.904 176.870 -0.135 0.000 1.075 568 L CA 1.323 56.103 54.840 -0.099 0.000 0.773 568 L CB -0.680 41.217 42.059 -0.271 0.000 0.936 568 L HN 0.257 nan 8.230 nan 0.000 0.451 569 L N 0.746 121.828 121.223 -0.235 0.000 2.021 569 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 569 L C -0.577 175.998 176.870 -0.492 0.000 1.074 569 L CA 2.309 56.888 54.840 -0.433 0.000 0.760 569 L CB -1.781 39.977 42.059 -0.502 0.000 0.889 569 L HN 0.182 nan 8.230 nan 0.000 0.433 570 P HA -0.150 nan 4.420 nan 0.000 0.218 570 P C 1.493 178.752 177.300 -0.068 0.000 1.148 570 P CA 1.908 64.813 63.100 -0.326 0.000 0.822 570 P CB -0.189 31.107 31.700 -0.672 0.000 0.784 571 A N -0.647 122.157 122.820 -0.027 0.000 1.873 571 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 571 A C 2.277 179.907 177.584 0.076 0.000 1.186 571 A CA 1.856 53.936 52.037 0.072 0.000 0.616 571 A CB -1.634 17.454 19.000 0.146 0.000 0.823 571 A HN 0.038 nan 8.150 nan 0.000 0.442 572 V N -0.930 118.985 119.914 0.001 0.000 2.427 572 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 572 V C 2.332 178.530 176.094 0.173 0.000 1.051 572 V CA 1.527 63.832 62.300 0.007 0.000 1.048 572 V CB -1.030 30.781 31.823 -0.019 0.000 0.666 572 V HN 0.481 nan 8.190 nan 0.000 0.456 573 F N -0.053 119.919 119.950 0.037 0.000 2.134 573 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 573 F C 2.274 178.126 175.800 0.086 0.000 1.097 573 F CA 1.107 59.143 58.000 0.061 0.000 1.264 573 F CB -1.258 37.782 39.000 0.067 0.000 1.001 573 F HN 0.239 nan 8.300 nan 0.000 0.479 574 F N 0.660 120.713 119.950 0.171 0.000 2.095 574 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 574 F C 2.113 177.906 175.800 -0.013 0.000 1.104 574 F CA 1.610 59.658 58.000 0.081 0.000 1.232 574 F CB -0.658 38.380 39.000 0.064 0.000 0.987 574 F HN -0.127 nan 8.300 nan 0.000 0.475 575 L N -0.124 121.022 121.223 -0.128 0.000 2.056 575 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 575 L C 2.824 179.574 176.870 -0.201 0.000 1.078 575 L CA 1.113 55.671 54.840 -0.470 0.000 0.749 575 L CB -1.311 40.291 42.059 -0.762 0.000 0.901 575 L HN 0.252 nan 8.230 nan 0.000 0.433 576 A N -0.301 122.543 122.820 0.039 0.000 1.908 576 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 576 A C 2.368 179.934 177.584 -0.030 0.000 1.181 576 A CA 2.383 54.470 52.037 0.084 0.000 0.627 576 A CB -0.898 18.117 19.000 0.026 0.000 0.818 576 A HN 0.388 nan 8.150 nan 0.000 0.445 577 T N -0.286 114.231 114.554 -0.061 0.000 2.777 577 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 577 T C 2.086 176.718 174.700 -0.113 0.000 1.040 577 T CA 1.437 63.494 62.100 -0.072 0.000 1.141 577 T CB -0.203 68.630 68.868 -0.058 0.000 0.868 577 T HN 0.418 nan 8.240 nan 0.000 0.444 578 Q N 0.771 120.428 119.800 -0.238 0.000 2.119 578 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 578 Q C 2.416 178.444 176.000 0.046 0.000 0.972 578 Q CA 0.948 56.658 55.803 -0.156 0.000 0.847 578 Q CB -0.350 28.226 28.738 -0.270 0.000 0.903 578 Q HN 0.439 nan 8.270 nan 0.000 0.433 579 R N 1.178 121.706 120.500 0.048 0.000 2.152 579 R HA -0.141 4.199 4.340 -0.000 0.000 0.232 579 R C 1.432 177.761 176.300 0.050 0.000 1.117 579 R CA 1.136 57.312 56.100 0.126 0.000 0.981 579 R CB 0.125 30.456 30.300 0.052 0.000 0.870 579 R HN 0.344 nan 8.270 nan 0.000 0.451 580 E N 0.139 120.349 120.200 0.015 0.000 2.268 580 E HA -0.065 4.285 4.350 -0.000 0.000 0.195 580 E C 0.059 176.673 176.600 0.022 0.000 0.995 580 E CA 0.463 56.872 56.400 0.015 0.000 0.836 580 E CB 0.098 29.808 29.700 0.016 0.000 0.763 580 E HN 0.227 nan 8.360 nan 0.000 0.491 581 R N 0.000 120.518 120.500 0.030 0.000 2.786 581 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 581 R CA 0.000 56.120 56.100 0.033 0.000 0.921 581 R CB 0.000 30.314 30.300 0.024 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535