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 3a6z_1_A DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGDVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKDSTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGISITRDIG DATA SEQUENCE SIVTKEPGFL WGXXXDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.580 174.900 -0.533 0.000 0.946 2 G CA 0.000 44.665 45.100 -0.725 0.000 0.502 3 V N 0.589 120.027 119.914 -0.794 0.000 2.380 3 V HA -0.142 3.979 4.120 0.001 0.000 0.251 3 V C 1.709 177.620 176.094 -0.304 0.000 1.063 3 V CA 1.924 63.887 62.300 -0.562 0.000 1.055 3 V CB -0.573 30.789 31.823 -0.768 0.000 0.657 3 V HN 0.656 nan 8.190 nan 0.000 0.455 4 Y N 0.220 120.536 120.300 0.026 0.000 2.532 4 Y HA 0.350 4.901 4.550 0.001 0.000 0.283 4 Y C 0.705 176.724 175.900 0.197 0.000 1.181 4 Y CA -1.619 56.538 58.100 0.096 0.000 1.256 4 Y CB -0.977 37.442 38.460 -0.068 0.000 1.112 4 Y HN 0.282 nan 8.280 nan 0.000 0.521 5 D N 0.550 121.106 120.400 0.260 0.000 2.548 5 D HA -0.110 4.530 4.640 0.001 0.000 0.231 5 D C -0.678 175.841 176.300 0.365 0.000 1.142 5 D CA 1.042 55.204 54.000 0.270 0.000 0.866 5 D CB 0.385 41.273 40.800 0.147 0.000 1.190 5 D HN 0.214 nan 8.370 nan 0.000 0.469 6 Y N 1.922 122.369 120.300 0.246 0.000 2.421 6 Y HA 0.221 4.772 4.550 0.001 0.000 0.339 6 Y C 0.651 176.715 175.900 0.274 0.000 0.996 6 Y CA -0.763 57.500 58.100 0.271 0.000 1.046 6 Y CB 0.878 39.535 38.460 0.327 0.000 1.226 6 Y HN 0.480 nan 8.280 nan 0.000 0.445 7 K N 2.255 122.428 120.400 -0.378 0.000 1.779 7 K HA -0.381 3.940 4.320 0.001 0.000 0.128 7 K C -0.195 176.248 176.600 -0.262 0.000 1.288 7 K CA 2.254 58.261 56.287 -0.468 0.000 0.398 7 K CB -0.927 31.099 32.500 -0.790 0.000 0.609 7 K HN 0.930 nan 8.250 nan 0.000 0.874 8 N N -0.205 118.264 118.700 -0.385 0.000 2.200 8 N HA 0.227 4.968 4.740 0.001 0.000 0.224 8 N C -0.802 174.609 175.510 -0.166 0.000 1.179 8 N CA -0.390 52.524 53.050 -0.226 0.000 0.877 8 N CB 0.236 38.590 38.487 -0.221 0.000 1.072 8 N HN 0.068 nan 8.380 nan 0.000 0.519 9 F N 1.668 121.624 119.950 0.010 0.000 2.563 9 F HA 0.220 4.748 4.527 0.001 0.000 0.363 9 F C 1.819 177.661 175.800 0.070 0.000 1.123 9 F CA -0.454 57.581 58.000 0.059 0.000 1.307 9 F CB 0.097 39.168 39.000 0.119 0.000 1.115 9 F HN -0.019 nan 8.300 nan 0.000 0.592 10 G N 1.232 110.191 108.800 0.264 0.000 2.486 10 G HA2 0.172 4.132 3.960 0.001 0.000 0.272 10 G HA3 0.172 4.132 3.960 0.001 0.000 0.272 10 G C 0.921 175.937 174.900 0.194 0.000 1.426 10 G CA -0.085 45.119 45.100 0.174 0.000 1.058 10 G HN 0.603 nan 8.290 nan 0.000 0.531 11 T N 0.753 115.403 114.554 0.160 0.000 2.622 11 T HA -0.135 4.216 4.350 0.001 0.000 0.266 11 T C 2.807 177.619 174.700 0.186 0.000 1.047 11 T CA 2.224 64.441 62.100 0.196 0.000 1.159 11 T CB -0.559 68.415 68.868 0.176 0.000 0.863 11 T HN 0.597 nan 8.240 nan 0.000 0.422 12 A N 1.634 124.531 122.820 0.129 0.000 1.902 12 A HA -0.138 4.182 4.320 0.001 0.000 0.217 12 A C 2.125 179.752 177.584 0.073 0.000 1.181 12 A CA 1.803 53.890 52.037 0.083 0.000 0.623 12 A CB -0.602 18.435 19.000 0.061 0.000 0.818 12 A HN 0.364 nan 8.150 nan 0.000 0.443 13 D N -0.380 120.076 120.400 0.093 0.000 2.123 13 D HA -0.042 4.599 4.640 0.001 0.000 0.200 13 D C 2.308 178.617 176.300 0.014 0.000 0.976 13 D CA 1.374 55.395 54.000 0.036 0.000 0.831 13 D CB -0.355 40.489 40.800 0.074 0.000 0.974 13 D HN 0.338 nan 8.370 nan 0.000 0.469 14 S N 0.640 116.429 115.700 0.148 0.000 2.365 14 S HA -0.177 4.294 4.470 0.001 0.000 0.225 14 S C 1.807 176.523 174.600 0.194 0.000 1.039 14 S CA 1.168 59.501 58.200 0.223 0.000 1.033 14 S CB -0.064 63.339 63.200 0.337 0.000 0.887 14 S HN 0.294 nan 8.310 nan 0.000 0.447 15 K N 1.201 121.689 120.400 0.146 0.000 2.057 15 K HA -0.005 4.315 4.320 0.001 0.000 0.207 15 K C 2.420 179.082 176.600 0.105 0.000 1.049 15 K CA 1.171 57.508 56.287 0.082 0.000 0.931 15 K CB -0.317 32.135 32.500 -0.080 0.000 0.714 15 K HN 0.340 nan 8.250 nan 0.000 0.440 16 A N 1.375 124.226 122.820 0.052 0.000 1.877 16 A HA -0.156 4.165 4.320 0.001 0.000 0.216 16 A C 2.073 179.677 177.584 0.033 0.000 1.186 16 A CA 1.109 53.164 52.037 0.030 0.000 0.620 16 A CB -0.521 18.475 19.000 -0.007 0.000 0.822 16 A HN 0.119 nan 8.150 nan 0.000 0.443 17 L N -1.447 119.774 121.223 -0.004 0.000 1.989 17 L HA -0.146 4.195 4.340 0.001 0.000 0.211 17 L C 2.269 179.126 176.870 -0.022 0.000 1.071 17 L CA 2.142 56.954 54.840 -0.047 0.000 0.749 17 L CB -1.251 40.738 42.059 -0.116 0.000 0.890 17 L HN 0.502 nan 8.230 nan 0.000 0.431 18 F N -0.181 119.715 119.950 -0.090 0.000 2.063 18 F HA -0.333 4.194 4.527 0.001 0.000 0.298 18 F C 2.608 178.370 175.800 -0.063 0.000 1.109 18 F CA 2.189 60.124 58.000 -0.109 0.000 1.212 18 F CB -0.378 38.545 39.000 -0.129 0.000 0.973 18 F HN 0.076 nan 8.300 nan 0.000 0.480 19 S N -0.054 115.717 115.700 0.118 0.000 2.382 19 S HA -0.196 4.275 4.470 0.001 0.000 0.228 19 S C 1.607 176.179 174.600 -0.047 0.000 1.027 19 S CA 1.280 59.508 58.200 0.046 0.000 0.991 19 S CB -0.457 62.807 63.200 0.106 0.000 0.823 19 S HN 0.460 nan 8.310 nan 0.000 0.469 20 D N 1.756 122.161 120.400 0.009 0.000 2.097 20 D HA -0.024 4.617 4.640 0.001 0.000 0.195 20 D C 2.217 178.411 176.300 -0.176 0.000 0.989 20 D CA 1.290 55.331 54.000 0.069 0.000 0.827 20 D CB -0.487 40.474 40.800 0.270 0.000 0.966 20 D HN 0.362 nan 8.370 nan 0.000 0.456 21 A N 0.792 123.473 122.820 -0.232 0.000 1.883 21 A HA -0.224 4.097 4.320 0.001 0.000 0.217 21 A C 2.161 179.605 177.584 -0.233 0.000 1.186 21 A CA 2.071 53.953 52.037 -0.259 0.000 0.624 21 A CB -0.584 18.254 19.000 -0.270 0.000 0.822 21 A HN 0.180 nan 8.150 nan 0.000 0.444 22 M N 0.193 119.573 119.600 -0.366 0.000 2.080 22 M HA -0.062 4.419 4.480 0.001 0.000 0.260 22 M C 2.180 178.280 176.300 -0.334 0.000 1.068 22 M CA 1.745 56.739 55.300 -0.510 0.000 1.109 22 M CB -0.768 31.506 32.600 -0.543 0.000 1.342 22 M HN 0.396 nan 8.290 nan 0.000 0.405 23 A N 0.387 123.068 122.820 -0.232 0.000 1.877 23 A HA -0.138 4.182 4.320 0.001 0.000 0.216 23 A C 2.167 179.623 177.584 -0.212 0.000 1.186 23 A CA 2.052 53.995 52.037 -0.158 0.000 0.620 23 A CB -1.396 17.576 19.000 -0.047 0.000 0.822 23 A HN 0.779 nan 8.150 nan 0.000 0.443 24 I N -3.421 116.938 120.570 -0.352 0.000 2.439 24 I HA -0.095 4.075 4.170 0.001 0.000 0.251 24 I C 2.059 178.015 176.117 -0.268 0.000 1.139 24 I CA 1.940 63.004 61.300 -0.394 0.000 1.438 24 I CB -0.953 36.617 38.000 -0.717 0.000 1.085 24 I HN 0.103 nan 8.210 nan 0.000 0.427 25 T N 2.294 116.688 114.554 -0.267 0.000 2.737 25 T HA -0.013 4.337 4.350 0.001 0.000 0.265 25 T C 2.025 176.586 174.700 -0.230 0.000 1.038 25 T CA 1.650 63.604 62.100 -0.244 0.000 1.144 25 T CB -0.340 68.385 68.868 -0.238 0.000 0.866 25 T HN 0.316 nan 8.240 nan 0.000 0.434 26 L N -0.177 120.926 121.223 -0.201 0.000 2.042 26 L HA -0.133 4.207 4.340 0.001 0.000 0.210 26 L C 2.414 179.220 176.870 -0.107 0.000 1.076 26 L CA 1.614 56.383 54.840 -0.118 0.000 0.749 26 L CB -0.612 41.380 42.059 -0.112 0.000 0.893 26 L HN 0.295 nan 8.230 nan 0.000 0.432 27 Y N 1.216 121.356 120.300 -0.266 0.000 2.207 27 Y HA -0.317 4.234 4.550 0.002 0.000 0.287 27 Y C 2.943 178.494 175.900 -0.582 0.000 1.156 27 Y CA 1.446 59.331 58.100 -0.358 0.000 1.182 27 Y CB -0.466 37.815 38.460 -0.299 0.000 0.979 27 Y HN 0.286 nan 8.280 nan 0.000 0.521 28 S N -1.229 114.120 115.700 -0.585 0.000 2.442 28 S HA -0.227 4.244 4.470 0.001 0.000 0.236 28 S C 1.609 175.890 174.600 -0.531 0.000 1.007 28 S CA 1.243 59.073 58.200 -0.617 0.000 0.965 28 S CB -1.046 61.872 63.200 -0.470 0.000 0.773 28 S HN 0.515 nan 8.310 nan 0.000 0.504 29 Y N 1.250 121.353 120.300 -0.329 0.000 2.523 29 Y HA 0.227 4.777 4.550 0.000 0.000 0.279 29 Y C 0.947 176.781 175.900 -0.110 0.000 1.139 29 Y CA 0.187 58.184 58.100 -0.171 0.000 1.296 29 Y CB -0.435 37.926 38.460 -0.165 0.000 1.045 29 Y HN 0.399 nan 8.280 nan 0.000 0.538 30 H N -0.143 118.874 119.070 -0.089 0.000 2.820 30 H HA -0.227 4.330 4.556 0.001 0.000 0.295 30 H C 0.108 175.433 175.328 -0.004 0.000 1.187 30 H CA 0.776 56.771 56.048 -0.089 0.000 1.144 30 H CB -1.717 27.968 29.762 -0.129 0.000 1.354 30 H HN 0.433 nan 8.280 nan 0.000 0.395 31 N N -1.064 117.668 118.700 0.053 0.000 2.747 31 N HA -0.198 4.543 4.740 0.001 0.000 0.249 31 N C 1.309 176.846 175.510 0.046 0.000 1.107 31 N CA 0.911 53.987 53.050 0.045 0.000 0.707 31 N CB -1.098 37.420 38.487 0.052 0.000 1.054 31 N HN 0.422 nan 8.380 nan 0.000 0.555 32 L N 1.497 122.749 121.223 0.048 0.000 2.131 32 L HA -0.093 4.247 4.340 0.001 0.000 0.210 32 L C 1.958 178.834 176.870 0.010 0.000 1.092 32 L CA 2.392 57.254 54.840 0.036 0.000 0.759 32 L CB -0.132 41.960 42.059 0.054 0.000 0.903 32 L HN 0.272 nan 8.230 nan 0.000 0.435 33 D N -1.934 118.440 120.400 -0.043 0.000 2.339 33 D HA -0.143 4.498 4.640 0.001 0.000 0.217 33 D C 1.503 177.855 176.300 0.086 0.000 1.050 33 D CA 0.178 54.175 54.000 -0.005 0.000 0.856 33 D CB -0.920 39.798 40.800 -0.136 0.000 0.922 33 D HN 0.532 nan 8.370 nan 0.000 0.518 34 N N 1.375 120.112 118.700 0.062 0.000 2.021 34 N HA -0.203 4.538 4.740 0.001 0.000 0.198 34 N C 2.005 177.583 175.510 0.113 0.000 1.041 34 N CA 2.250 55.348 53.050 0.080 0.000 0.862 34 N CB -0.489 38.035 38.487 0.060 0.000 1.048 34 N HN 0.279 nan 8.380 nan 0.000 0.427 35 G N 0.235 109.103 108.800 0.112 0.000 2.469 35 G HA2 -0.292 3.668 3.960 0.001 0.000 0.219 35 G HA3 -0.292 3.668 3.960 0.001 0.000 0.219 35 G C 1.388 176.377 174.900 0.147 0.000 1.150 35 G CA 0.729 45.900 45.100 0.118 0.000 0.763 35 G HN 0.470 nan 8.290 nan 0.000 0.561 36 F N 2.285 122.277 119.950 0.070 0.000 2.095 36 F HA -0.004 4.523 4.527 0.001 0.000 0.298 36 F C 2.848 178.726 175.800 0.131 0.000 1.104 36 F CA 1.672 59.730 58.000 0.096 0.000 1.232 36 F CB -0.195 38.840 39.000 0.058 0.000 0.987 36 F HN 0.236 nan 8.300 nan 0.000 0.475 37 A N 0.376 123.401 122.820 0.342 0.000 1.883 37 A HA -0.120 4.200 4.320 0.001 0.000 0.217 37 A C 2.378 180.077 177.584 0.191 0.000 1.186 37 A CA 1.959 54.167 52.037 0.284 0.000 0.624 37 A CB -1.595 17.527 19.000 0.204 0.000 0.822 37 A HN 0.530 nan 8.150 nan 0.000 0.444 38 A N -0.605 122.291 122.820 0.127 0.000 1.873 38 A HA 0.169 4.490 4.320 0.001 0.000 0.215 38 A C 2.439 180.067 177.584 0.074 0.000 1.186 38 A CA 1.884 53.979 52.037 0.096 0.000 0.616 38 A CB -1.419 17.627 19.000 0.077 0.000 0.823 38 A HN 0.730 nan 8.150 nan 0.000 0.442 39 G N -1.435 107.381 108.800 0.027 0.000 2.421 39 G HA2 -0.299 3.661 3.960 0.001 0.000 0.216 39 G HA3 -0.299 3.661 3.960 0.001 0.000 0.216 39 G C 1.570 176.459 174.900 -0.018 0.000 1.171 39 G CA 1.328 46.426 45.100 -0.002 0.000 0.775 39 G HN 0.624 nan 8.290 nan 0.000 0.543 40 Y N 1.118 121.258 120.300 -0.267 0.000 2.128 40 Y HA -0.215 4.336 4.550 0.001 0.000 0.284 40 Y C 2.940 178.823 175.900 -0.027 0.000 1.154 40 Y CA 2.429 60.409 58.100 -0.201 0.000 1.149 40 Y CB -0.315 37.960 38.460 -0.308 0.000 0.976 40 Y HN 0.286 nan 8.280 nan 0.000 0.505 41 Q N -0.702 119.098 119.800 0.000 0.000 2.124 41 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 41 Q C 2.063 178.010 176.000 -0.088 0.000 0.977 41 Q CA 2.246 58.000 55.803 -0.083 0.000 0.850 41 Q CB -0.499 28.289 28.738 0.083 0.000 0.901 41 Q HN 0.754 nan 8.270 nan 0.000 0.429 42 H N -1.267 117.746 119.070 -0.095 0.000 2.448 42 H HA 0.160 4.717 4.556 0.001 0.000 0.292 42 H C 0.851 176.129 175.328 -0.084 0.000 1.035 42 H CA 1.746 57.751 56.048 -0.071 0.000 1.349 42 H CB 0.275 30.016 29.762 -0.034 0.000 1.425 42 H HN 0.386 nan 8.280 nan 0.000 0.539 43 N N -0.839 117.801 118.700 -0.100 0.000 2.332 43 N HA 0.239 4.980 4.740 0.001 0.000 0.190 43 N C 0.587 176.044 175.510 -0.088 0.000 1.117 43 N CA 0.328 53.322 53.050 -0.093 0.000 0.883 43 N CB 1.495 39.991 38.487 0.015 0.000 1.089 43 N HN 0.462 nan 8.380 nan 0.000 0.480 44 G N 1.089 109.790 108.800 -0.165 0.000 2.553 44 G HA2 -0.306 3.655 3.960 0.001 0.000 0.242 44 G HA3 -0.306 3.655 3.960 0.001 0.000 0.242 44 G C -0.437 174.640 174.900 0.296 0.000 1.277 44 G CA 0.035 45.088 45.100 -0.078 0.000 0.910 44 G HN 0.246 nan 8.290 nan 0.000 0.576 45 F N 1.672 121.753 119.950 0.219 0.000 2.901 45 F HA 0.524 5.052 4.527 0.000 0.000 0.329 45 F C 1.348 177.487 175.800 0.565 0.000 1.185 45 F CA 1.080 59.315 58.000 0.390 0.000 1.114 45 F CB 0.391 39.654 39.000 0.439 0.000 1.199 45 F HN 0.866 nan 8.300 nan 0.000 0.513 46 G N -0.032 108.988 108.800 0.367 0.000 2.560 46 G HA2 0.099 4.060 3.960 0.001 0.000 0.212 46 G HA3 0.099 4.060 3.960 0.001 0.000 0.212 46 G C 0.849 175.786 174.900 0.061 0.000 2.038 46 G CA 0.374 45.596 45.100 0.204 0.000 0.728 46 G HN 0.056 nan 8.290 nan 0.000 0.784 47 L N 1.693 122.934 121.223 0.030 0.000 1.978 47 L HA 0.053 4.394 4.340 0.001 0.000 0.218 47 L C 2.587 179.469 176.870 0.020 0.000 1.075 47 L CA 2.677 57.521 54.840 0.006 0.000 0.767 47 L CB -0.951 41.110 42.059 0.003 0.000 0.890 47 L HN 0.332 nan 8.230 nan 0.000 0.434 48 G N -1.658 107.163 108.800 0.035 0.000 3.026 48 G HA2 -0.053 3.908 3.960 0.001 0.000 0.208 48 G HA3 -0.053 3.908 3.960 0.001 0.000 0.208 48 G C 1.389 176.319 174.900 0.050 0.000 1.169 48 G CA 0.405 45.524 45.100 0.033 0.000 0.788 48 G HN 0.377 nan 8.290 nan 0.000 0.533 49 L N 1.583 122.843 121.223 0.061 0.000 2.042 49 L HA 0.030 4.370 4.340 0.001 0.000 0.210 49 L C -0.004 176.888 176.870 0.036 0.000 1.076 49 L CA 1.982 56.846 54.840 0.041 0.000 0.749 49 L CB -0.937 41.093 42.059 -0.048 0.000 0.893 49 L HN 0.039 nan 8.230 nan 0.000 0.432 50 P HA -0.199 nan 4.420 nan 0.000 0.215 50 P C 1.588 178.914 177.300 0.044 0.000 1.157 50 P CA 2.255 65.378 63.100 0.037 0.000 0.874 50 P CB -0.266 31.451 31.700 0.029 0.000 0.790 51 A N -1.298 121.547 122.820 0.041 0.000 1.972 51 A HA -0.160 4.161 4.320 0.001 0.000 0.219 51 A C 2.273 179.882 177.584 0.042 0.000 1.169 51 A CA 2.183 54.248 52.037 0.046 0.000 0.635 51 A CB -1.849 17.183 19.000 0.053 0.000 0.810 51 A HN 0.153 nan 8.150 nan 0.000 0.446 52 T N 0.368 114.939 114.554 0.027 0.000 2.788 52 T HA -0.055 4.295 4.350 0.001 0.000 0.268 52 T C 1.728 176.414 174.700 -0.022 0.000 1.044 52 T CA 1.458 63.539 62.100 -0.033 0.000 1.139 52 T CB -0.330 68.509 68.868 -0.049 0.000 0.867 52 T HN 0.407 nan 8.240 nan 0.000 0.454 53 L N 0.396 121.650 121.223 0.051 0.000 2.109 53 L HA -0.011 4.330 4.340 0.001 0.000 0.207 53 L C 2.608 179.534 176.870 0.093 0.000 1.086 53 L CA 0.487 55.391 54.840 0.107 0.000 0.760 53 L CB -0.663 41.466 42.059 0.116 0.000 0.910 53 L HN 0.109 nan 8.230 nan 0.000 0.437 54 V N 0.168 120.126 119.914 0.072 0.000 2.282 54 V HA -0.341 3.779 4.120 0.001 0.000 0.249 54 V C 2.594 178.739 176.094 0.085 0.000 1.057 54 V CA 2.633 64.978 62.300 0.075 0.000 1.032 54 V CB -0.832 31.031 31.823 0.066 0.000 0.645 54 V HN 0.528 nan 8.190 nan 0.000 0.447 55 T N 0.135 114.733 114.554 0.073 0.000 2.821 55 T HA -0.102 4.249 4.350 0.001 0.000 0.267 55 T C 2.029 176.786 174.700 0.095 0.000 1.046 55 T CA 1.283 63.429 62.100 0.077 0.000 1.139 55 T CB -0.470 68.427 68.868 0.050 0.000 0.871 55 T HN 0.572 nan 8.240 nan 0.000 0.454 56 A N 1.127 124.015 122.820 0.114 0.000 1.986 56 A HA -0.017 4.303 4.320 0.001 0.000 0.220 56 A C 2.218 179.885 177.584 0.138 0.000 1.171 56 A CA 1.288 53.438 52.037 0.188 0.000 0.640 56 A CB -0.709 18.471 19.000 0.299 0.000 0.811 56 A HN 0.503 nan 8.150 nan 0.000 0.451 57 L N -2.141 119.147 121.223 0.109 0.000 2.221 57 L HA 0.174 4.514 4.340 0.001 0.000 0.202 57 L C 1.977 178.887 176.870 0.067 0.000 1.074 57 L CA 0.604 55.493 54.840 0.082 0.000 0.795 57 L CB -0.052 42.053 42.059 0.076 0.000 0.960 57 L HN 0.270 nan 8.230 nan 0.000 0.458 58 L N -1.382 119.890 121.223 0.082 0.000 2.817 58 L HA 0.351 4.692 4.340 0.001 0.000 0.248 58 L C 1.196 178.125 176.870 0.099 0.000 1.133 58 L CA 0.149 55.038 54.840 0.082 0.000 0.935 58 L CB 0.464 42.608 42.059 0.142 0.000 1.266 58 L HN 0.369 nan 8.230 nan 0.000 0.535 59 G N 0.536 109.396 108.800 0.101 0.000 2.574 59 G HA2 -0.156 3.804 3.960 0.001 0.000 0.282 59 G HA3 -0.156 3.804 3.960 0.001 0.000 0.282 59 G C 0.228 175.222 174.900 0.157 0.000 1.257 59 G CA -0.093 45.071 45.100 0.106 0.000 0.956 59 G HN 0.539 nan 8.290 nan 0.000 0.560 60 G N -3.682 105.223 108.800 0.174 0.000 2.793 60 G HA2 0.695 4.656 3.960 0.001 0.000 0.248 60 G HA3 0.695 4.656 3.960 0.001 0.000 0.248 60 G C 1.168 176.247 174.900 0.299 0.000 1.198 60 G CA 1.216 46.461 45.100 0.241 0.000 0.865 60 G HN 1.935 nan 8.290 nan 0.000 0.534 61 T N -1.635 113.039 114.554 0.200 0.000 2.881 61 T HA -0.054 4.296 4.350 0.001 0.000 0.270 61 T C 1.166 175.934 174.700 0.114 0.000 1.068 61 T CA 2.254 64.454 62.100 0.167 0.000 1.131 61 T CB -0.168 68.737 68.868 0.062 0.000 0.871 61 T HN 0.532 nan 8.240 nan 0.000 0.479 62 D N 0.598 121.048 120.400 0.084 0.000 2.513 62 D HA 0.226 4.867 4.640 0.001 0.000 0.222 62 D C 0.208 176.545 176.300 0.062 0.000 1.210 62 D CA -0.293 53.743 54.000 0.061 0.000 0.825 62 D CB 0.076 40.899 40.800 0.039 0.000 1.037 62 D HN 0.539 nan 8.370 nan 0.000 0.506 63 S N -1.378 114.366 115.700 0.074 0.000 2.565 63 S HA 0.494 4.965 4.470 0.001 0.000 0.269 63 S C -1.319 173.319 174.600 0.063 0.000 1.153 63 S CA -1.003 57.238 58.200 0.068 0.000 0.835 63 S CB 2.229 65.472 63.200 0.072 0.000 1.122 63 S HN 0.081 nan 8.310 nan 0.000 0.462 64 Q N 0.933 120.764 119.800 0.052 0.000 2.333 64 Q HA 0.607 4.948 4.340 0.001 0.000 0.268 64 Q C 0.337 176.367 176.000 0.050 0.000 1.007 64 Q CA -0.619 55.204 55.803 0.033 0.000 0.810 64 Q CB 1.411 30.160 28.738 0.017 0.000 1.264 64 Q HN 0.999 nan 8.270 nan 0.000 0.452 65 G N 1.230 110.061 108.800 0.051 0.000 2.582 65 G HA2 0.138 4.099 3.960 0.001 0.000 0.232 65 G HA3 0.138 4.099 3.960 0.001 0.000 0.232 65 G C 0.559 175.488 174.900 0.049 0.000 1.458 65 G CA -0.288 44.852 45.100 0.068 0.000 1.062 65 G HN 0.506 nan 8.290 nan 0.000 0.566 66 V N 0.230 120.177 119.914 0.054 0.000 2.548 66 V HA 0.041 4.162 4.120 0.001 0.000 0.249 66 V C 1.323 177.430 176.094 0.022 0.000 1.055 66 V CA 0.858 63.184 62.300 0.042 0.000 1.065 66 V CB -0.477 31.376 31.823 0.051 0.000 0.681 66 V HN 0.281 nan 8.190 nan 0.000 0.462 67 I N 3.068 123.645 120.570 0.011 0.000 2.452 67 I HA 0.180 4.350 4.170 0.001 0.000 0.287 67 I C -1.914 174.180 176.117 -0.037 0.000 1.079 67 I CA -1.467 59.827 61.300 -0.011 0.000 1.387 67 I CB 0.802 38.793 38.000 -0.014 0.000 1.404 67 I HN 0.172 nan 8.210 nan 0.000 0.522 68 P HA 0.200 nan 4.420 nan 0.000 0.278 68 P C 0.479 177.728 177.300 -0.085 0.000 1.266 68 P CA -0.159 62.911 63.100 -0.051 0.000 0.807 68 P CB 0.942 32.623 31.700 -0.033 0.000 1.094 69 G N 0.247 108.990 108.800 -0.096 0.000 2.225 69 G HA2 -0.248 3.713 3.960 0.001 0.000 0.267 69 G HA3 -0.248 3.713 3.960 0.001 0.000 0.267 69 G C -0.045 174.734 174.900 -0.203 0.000 1.024 69 G CA -0.094 44.934 45.100 -0.120 0.000 0.784 69 G HN 0.469 nan 8.290 nan 0.000 0.507 70 I N 0.476 120.867 120.570 -0.298 0.000 2.352 70 I HA 0.229 4.400 4.170 0.001 0.000 0.290 70 I C -0.574 175.189 176.117 -0.589 0.000 1.036 70 I CA -2.430 58.524 61.300 -0.576 0.000 1.336 70 I CB 1.628 39.184 38.000 -0.740 0.000 1.407 70 I HN -0.112 nan 8.210 nan 0.000 0.497 71 P HA -0.140 nan 4.420 nan 0.000 0.217 71 P C 1.045 178.290 177.300 -0.091 0.000 1.150 71 P CA 1.185 64.161 63.100 -0.207 0.000 0.832 71 P CB -0.033 31.637 31.700 -0.050 0.000 0.787 72 W N -0.485 120.820 121.300 0.008 0.000 3.077 72 W HA 0.159 4.820 4.660 0.002 0.000 0.245 72 W C 0.042 176.566 176.519 0.007 0.000 1.316 72 W CA -0.514 56.835 57.345 0.006 0.000 1.537 72 W CB -1.981 27.480 29.460 0.003 0.000 1.131 72 W HN -0.194 nan 8.180 nan 0.000 0.695 73 N N 3.334 121.966 118.700 -0.114 0.000 2.525 73 N HA 0.149 4.889 4.740 0.001 0.000 0.271 73 N C -2.073 173.440 175.510 0.006 0.000 1.194 73 N CA -1.570 51.462 53.050 -0.030 0.000 0.964 73 N CB 0.635 39.050 38.487 -0.120 0.000 1.126 73 N HN -0.232 nan 8.380 nan 0.000 0.452 74 P HA -0.019 nan 4.420 nan 0.000 0.272 74 P C -0.836 176.472 177.300 0.014 0.000 1.230 74 P CA -0.058 63.059 63.100 0.029 0.000 0.788 74 P CB 0.585 32.310 31.700 0.040 0.000 0.949 75 D N 0.754 121.164 120.400 0.017 0.000 2.498 75 D HA 0.011 4.652 4.640 0.001 0.000 0.229 75 D C 1.319 177.641 176.300 0.036 0.000 1.188 75 D CA 0.129 54.140 54.000 0.019 0.000 1.028 75 D CB -0.276 40.536 40.800 0.020 0.000 1.087 75 D HN 0.207 nan 8.370 nan 0.000 0.510 76 S N 1.914 117.637 115.700 0.038 0.000 2.447 76 S HA -0.148 4.322 4.470 0.001 0.000 0.233 76 S C 1.504 176.149 174.600 0.074 0.000 1.006 76 S CA 0.644 58.876 58.200 0.052 0.000 0.957 76 S CB -0.040 63.189 63.200 0.050 0.000 0.773 76 S HN 0.488 nan 8.310 nan 0.000 0.507 77 E N 1.420 121.668 120.200 0.080 0.000 2.046 77 E HA -0.071 4.279 4.350 0.001 0.000 0.190 77 E C 2.154 178.840 176.600 0.143 0.000 0.982 77 E CA 0.891 57.366 56.400 0.125 0.000 0.800 77 E CB -0.155 29.603 29.700 0.096 0.000 0.756 77 E HN 0.597 nan 8.360 nan 0.000 0.449 78 K N 1.230 121.688 120.400 0.098 0.000 2.097 78 K HA -0.144 4.176 4.320 0.001 0.000 0.206 78 K C 2.136 178.787 176.600 0.085 0.000 1.049 78 K CA 0.850 57.190 56.287 0.089 0.000 0.933 78 K CB -0.052 32.482 32.500 0.057 0.000 0.717 78 K HN 0.083 nan 8.250 nan 0.000 0.442 79 L N 0.508 121.775 121.223 0.073 0.000 2.083 79 L HA -0.164 4.176 4.340 0.001 0.000 0.209 79 L C 2.647 179.565 176.870 0.079 0.000 1.083 79 L CA 1.209 56.087 54.840 0.063 0.000 0.752 79 L CB -0.557 41.533 42.059 0.052 0.000 0.899 79 L HN 0.255 nan 8.230 nan 0.000 0.433 80 A N 0.008 122.896 122.820 0.113 0.000 1.898 80 A HA -0.194 4.127 4.320 0.001 0.000 0.216 80 A C 2.218 179.938 177.584 0.226 0.000 1.181 80 A CA 1.509 53.638 52.037 0.152 0.000 0.620 80 A CB -0.606 18.470 19.000 0.126 0.000 0.819 80 A HN 0.302 nan 8.150 nan 0.000 0.442 81 L N 0.243 121.613 121.223 0.246 0.000 1.994 81 L HA -0.168 4.172 4.340 0.001 0.000 0.208 81 L C 1.726 178.599 176.870 0.004 0.000 1.071 81 L CA 2.518 57.438 54.840 0.134 0.000 0.745 81 L CB -0.691 41.477 42.059 0.181 0.000 0.892 81 L HN 0.351 nan 8.230 nan 0.000 0.431 82 D N -0.016 120.406 120.400 0.036 0.000 2.133 82 D HA -0.232 4.409 4.640 0.001 0.000 0.195 82 D C 2.169 178.472 176.300 0.005 0.000 0.997 82 D CA 1.643 55.651 54.000 0.015 0.000 0.840 82 D CB -0.304 40.511 40.800 0.024 0.000 0.947 82 D HN 0.524 nan 8.370 nan 0.000 0.452 83 A N 0.635 123.465 122.820 0.017 0.000 1.877 83 A HA -0.141 4.179 4.320 0.001 0.000 0.216 83 A C 2.487 180.070 177.584 -0.002 0.000 1.186 83 A CA 1.411 53.456 52.037 0.014 0.000 0.620 83 A CB -0.915 18.101 19.000 0.026 0.000 0.822 83 A HN 0.189 nan 8.150 nan 0.000 0.443 84 V N -0.057 119.827 119.914 -0.050 0.000 2.427 84 V HA -0.240 3.880 4.120 0.001 0.000 0.248 84 V C 2.406 178.506 176.094 0.010 0.000 1.051 84 V CA 2.558 64.810 62.300 -0.079 0.000 1.048 84 V CB -0.534 31.060 31.823 -0.382 0.000 0.666 84 V HN 0.624 nan 8.190 nan 0.000 0.456 85 K N -0.064 120.308 120.400 -0.047 0.000 2.026 85 K HA -0.253 4.068 4.320 0.001 0.000 0.208 85 K C 2.208 178.798 176.600 -0.016 0.000 1.048 85 K CA 1.951 58.225 56.287 -0.021 0.000 0.929 85 K CB -0.297 32.184 32.500 -0.032 0.000 0.713 85 K HN 0.392 nan 8.250 nan 0.000 0.439 86 K N 0.908 121.303 120.400 -0.009 0.000 2.160 86 K HA -0.156 4.164 4.320 0.001 0.000 0.206 86 K C 1.792 178.388 176.600 -0.007 0.000 1.047 86 K CA 1.405 57.687 56.287 -0.009 0.000 0.930 86 K CB -0.067 32.433 32.500 -0.000 0.000 0.720 86 K HN 0.166 nan 8.250 nan 0.000 0.450 87 A N -0.306 122.532 122.820 0.029 0.000 2.167 87 A HA 0.196 4.516 4.320 0.001 0.000 0.214 87 A C 1.389 178.933 177.584 -0.067 0.000 1.151 87 A CA 0.882 52.959 52.037 0.066 0.000 0.735 87 A CB -0.218 18.908 19.000 0.211 0.000 0.802 87 A HN 0.577 nan 8.150 nan 0.000 0.467 88 G N -3.360 105.352 108.800 -0.147 0.000 2.159 88 G HA2 -0.183 3.778 3.960 0.001 0.000 0.170 88 G HA3 -0.183 3.778 3.960 0.001 0.000 0.170 88 G C -0.402 174.185 174.900 -0.522 0.000 1.007 88 G CA -0.272 44.611 45.100 -0.362 0.000 0.672 88 G HN 0.372 nan 8.290 nan 0.000 0.507 89 W N 0.506 121.761 121.300 -0.075 0.000 2.587 89 W HA 0.688 5.349 4.660 0.001 0.000 0.324 89 W C 0.036 176.502 176.519 -0.088 0.000 1.040 89 W CA -0.643 56.646 57.345 -0.093 0.000 1.222 89 W CB 2.128 31.491 29.460 -0.162 0.000 1.381 89 W HN 0.088 nan 8.180 nan 0.000 0.483 90 T N 3.791 118.486 114.554 0.235 0.000 2.879 90 T HA 0.340 4.690 4.350 0.001 0.000 0.290 90 T C -2.651 172.149 174.700 0.167 0.000 0.993 90 T CA -1.706 60.485 62.100 0.152 0.000 0.975 90 T CB 1.631 70.614 68.868 0.190 0.000 0.981 90 T HN -0.111 nan 8.240 nan 0.000 0.439 91 P HA 0.113 nan 4.420 nan 0.000 0.263 91 P C -0.527 176.862 177.300 0.148 0.000 1.175 91 P CA 0.037 63.213 63.100 0.127 0.000 0.761 91 P CB 0.287 32.069 31.700 0.137 0.000 0.794 92 I N 2.523 123.181 120.570 0.146 0.000 2.342 92 I HA 0.134 4.304 4.170 0.001 0.000 0.291 92 I C 1.252 177.446 176.117 0.130 0.000 1.010 92 I CA -0.410 60.942 61.300 0.087 0.000 1.308 92 I CB 1.004 38.963 38.000 -0.068 0.000 1.400 92 I HN 0.344 nan 8.210 nan 0.000 0.488 93 T N 2.635 117.232 114.554 0.071 0.000 2.860 93 T HA 0.269 4.619 4.350 0.001 0.000 0.299 93 T C 1.251 176.034 174.700 0.137 0.000 1.045 93 T CA -0.229 61.908 62.100 0.061 0.000 1.071 93 T CB 1.599 70.485 68.868 0.031 0.000 0.985 93 T HN 0.672 nan 8.240 nan 0.000 0.537 94 A N 1.474 124.369 122.820 0.126 0.000 1.978 94 A HA -0.047 4.274 4.320 0.001 0.000 0.220 94 A C 2.686 180.382 177.584 0.188 0.000 1.170 94 A CA 2.067 54.282 52.037 0.296 0.000 0.636 94 A CB -1.401 17.739 19.000 0.235 0.000 0.810 94 A HN 0.920 nan 8.150 nan 0.000 0.448 95 S N -0.617 115.142 115.700 0.097 0.000 2.356 95 S HA -0.241 4.229 4.470 0.001 0.000 0.223 95 S C 2.145 176.786 174.600 0.069 0.000 1.032 95 S CA 1.767 60.011 58.200 0.073 0.000 1.005 95 S CB -0.378 62.851 63.200 0.048 0.000 0.867 95 S HN 0.712 nan 8.310 nan 0.000 0.449 96 Q N 0.119 119.942 119.800 0.038 0.000 2.170 96 Q HA -0.006 4.334 4.340 0.001 0.000 0.203 96 Q C 2.037 178.003 176.000 -0.055 0.000 0.976 96 Q CA 1.324 57.139 55.803 0.020 0.000 0.858 96 Q CB -0.262 28.454 28.738 -0.036 0.000 0.907 96 Q HN 0.537 nan 8.270 nan 0.000 0.433 97 L N -0.909 120.235 121.223 -0.132 0.000 2.509 97 L HA 0.182 4.522 4.340 0.001 0.000 0.222 97 L C 1.093 178.022 176.870 0.097 0.000 1.123 97 L CA 0.270 55.055 54.840 -0.092 0.000 0.856 97 L CB -0.182 41.779 42.059 -0.164 0.000 0.985 97 L HN 0.308 nan 8.230 nan 0.000 0.456 98 G N 0.169 109.043 108.800 0.123 0.000 2.295 98 G HA2 -0.352 3.609 3.960 0.001 0.000 0.287 98 G HA3 -0.352 3.609 3.960 0.001 0.000 0.287 98 G C -0.225 174.783 174.900 0.179 0.000 1.055 98 G CA -0.083 45.096 45.100 0.131 0.000 0.922 98 G HN 0.333 nan 8.290 nan 0.000 0.503 99 Y N 1.387 121.737 120.300 0.083 0.000 2.326 99 Y HA 0.470 5.021 4.550 0.001 0.000 0.337 99 Y C 0.944 176.909 175.900 0.110 0.000 1.023 99 Y CA -1.042 57.126 58.100 0.114 0.000 1.143 99 Y CB 1.217 39.794 38.460 0.195 0.000 1.183 99 Y HN 0.225 nan 8.280 nan 0.000 0.485 100 D N 2.450 122.624 120.400 -0.377 0.000 2.358 100 D HA 0.188 4.829 4.640 0.001 0.000 0.224 100 D C 0.748 176.751 176.300 -0.495 0.000 1.123 100 D CA 0.063 53.872 54.000 -0.317 0.000 0.833 100 D CB -0.076 40.619 40.800 -0.174 0.000 0.946 100 D HN 0.637 nan 8.370 nan 0.000 0.505 101 G N -0.039 108.089 108.800 -1.119 0.000 2.568 101 G HA2 0.286 4.247 3.960 0.001 0.000 0.293 101 G HA3 0.286 4.247 3.960 0.001 0.000 0.293 101 G C -0.576 174.269 174.900 -0.092 0.000 1.347 101 G CA -0.890 43.817 45.100 -0.655 0.000 1.039 101 G HN 0.120 nan 8.290 nan 0.000 0.523 102 K N -0.151 120.341 120.400 0.153 0.000 2.249 102 K HA 0.427 4.747 4.320 0.001 0.000 0.280 102 K C -0.180 176.576 176.600 0.260 0.000 1.033 102 K CA -0.129 56.226 56.287 0.113 0.000 0.946 102 K CB 0.466 32.967 32.500 0.002 0.000 1.005 102 K HN 0.619 nan 8.250 nan 0.000 0.469 103 T N 0.103 114.694 114.554 0.063 0.000 2.916 103 T HA 0.348 4.699 4.350 0.001 0.000 0.292 103 T C -0.580 174.078 174.700 -0.070 0.000 1.064 103 T CA -1.048 61.065 62.100 0.022 0.000 1.011 103 T CB 1.543 70.284 68.868 -0.212 0.000 1.152 103 T HN 0.644 nan 8.240 nan 0.000 0.510 104 D N 0.103 120.529 120.400 0.044 0.000 2.549 104 D HA 0.549 5.190 4.640 0.001 0.000 0.270 104 D C 1.644 177.919 176.300 -0.041 0.000 1.181 104 D CA -0.537 53.447 54.000 -0.027 0.000 1.070 104 D CB 0.452 41.295 40.800 0.072 0.000 1.154 104 D HN 0.665 nan 8.370 nan 0.000 0.602 105 A N -0.351 122.443 122.820 -0.044 0.000 2.032 105 A HA -0.218 4.103 4.320 0.001 0.000 0.221 105 A C 1.996 179.559 177.584 -0.035 0.000 1.165 105 A CA 1.365 53.377 52.037 -0.042 0.000 0.645 105 A CB -0.691 18.287 19.000 -0.036 0.000 0.807 105 A HN 0.554 nan 8.150 nan 0.000 0.453 106 R N -1.723 118.752 120.500 -0.041 0.000 2.299 106 R HA 0.216 4.557 4.340 0.001 0.000 0.197 106 R C 1.368 177.665 176.300 -0.004 0.000 0.971 106 R CA 0.529 56.614 56.100 -0.025 0.000 1.030 106 R CB -0.090 30.141 30.300 -0.114 0.000 0.932 106 R HN 0.692 nan 8.270 nan 0.000 0.477 107 G N 0.755 109.514 108.800 -0.069 0.000 2.157 107 G HA2 -0.271 3.690 3.960 0.001 0.000 0.248 107 G HA3 -0.271 3.690 3.960 0.001 0.000 0.248 107 G C 0.200 174.930 174.900 -0.283 0.000 0.979 107 G CA 0.264 45.260 45.100 -0.173 0.000 0.650 107 G HN 0.304 nan 8.290 nan 0.000 0.529 108 T N 1.482 115.965 114.554 -0.118 0.000 2.853 108 T HA 0.446 4.796 4.350 0.001 0.000 0.298 108 T C 0.363 175.049 174.700 -0.024 0.000 0.978 108 T CA 0.298 62.359 62.100 -0.064 0.000 1.152 108 T CB 0.389 69.217 68.868 -0.066 0.000 0.914 108 T HN 0.222 nan 8.240 nan 0.000 0.539 109 F N 2.438 122.418 119.950 0.050 0.000 2.384 109 F HA 0.540 5.067 4.527 -0.000 0.000 0.338 109 F C 0.252 176.253 175.800 0.335 0.000 1.103 109 F CA -0.853 57.264 58.000 0.194 0.000 1.157 109 F CB 0.659 39.607 39.000 -0.087 0.000 1.167 109 F HN 0.454 nan 8.300 nan 0.000 0.529 110 F N 0.352 120.629 119.950 0.544 0.000 2.522 110 F HA 0.570 5.098 4.527 0.001 0.000 0.324 110 F C 0.785 176.792 175.800 0.344 0.000 1.077 110 F CA -1.036 57.225 58.000 0.435 0.000 0.944 110 F CB 1.603 40.740 39.000 0.228 0.000 1.175 110 F HN 0.563 nan 8.300 nan 0.000 0.468 111 G N 1.416 110.283 108.800 0.111 0.000 2.484 111 G HA2 0.081 4.041 3.960 0.001 0.000 0.235 111 G HA3 0.081 4.041 3.960 0.001 0.000 0.235 111 G C 0.285 175.122 174.900 -0.105 0.000 1.282 111 G CA -0.232 44.576 45.100 -0.487 0.000 0.857 111 G HN 0.882 nan 8.290 nan 0.000 0.571 112 E N 0.081 120.178 120.200 -0.172 0.000 2.400 112 E HA 0.057 4.407 4.350 0.001 0.000 0.195 112 E C 0.663 177.267 176.600 0.006 0.000 1.012 112 E CA 0.619 57.018 56.400 -0.002 0.000 0.875 112 E CB 0.315 30.035 29.700 0.033 0.000 0.859 112 E HN 0.378 nan 8.360 nan 0.000 0.498 113 K N 0.149 120.553 120.400 0.007 0.000 2.443 113 K HA 0.566 4.886 4.320 0.001 0.000 0.251 113 K C -0.889 175.803 176.600 0.154 0.000 0.972 113 K CA -0.911 55.417 56.287 0.068 0.000 0.833 113 K CB 2.011 34.533 32.500 0.036 0.000 1.317 113 K HN -0.076 nan 8.250 nan 0.000 0.441 114 A N 0.347 123.243 122.820 0.126 0.000 2.546 114 A HA 0.374 4.695 4.320 0.001 0.000 0.243 114 A C 1.143 178.809 177.584 0.138 0.000 1.063 114 A CA 1.377 53.478 52.037 0.106 0.000 0.757 114 A CB -0.900 18.145 19.000 0.074 0.000 0.991 114 A HN 0.962 nan 8.150 nan 0.000 0.503 115 G N 0.797 109.619 108.800 0.038 0.000 2.199 115 G HA2 -0.289 3.671 3.960 0.001 0.000 0.254 115 G HA3 -0.289 3.671 3.960 0.001 0.000 0.254 115 G C 0.223 174.903 174.900 -0.367 0.000 0.982 115 G CA 0.993 46.010 45.100 -0.138 0.000 0.632 115 G HN 1.030 nan 8.290 nan 0.000 0.529 116 Y N 0.275 120.578 120.300 0.006 0.000 2.717 116 Y HA 0.277 4.827 4.550 0.000 0.000 0.250 116 Y C 2.317 178.178 175.900 -0.064 0.000 1.149 116 Y CA 0.670 58.724 58.100 -0.077 0.000 1.211 116 Y CB 0.396 38.701 38.460 -0.258 0.000 1.289 116 Y HN 0.345 nan 8.280 nan 0.000 0.552 117 T N -3.911 110.713 114.554 0.116 0.000 3.055 117 T HA -0.117 4.233 4.350 0.001 0.000 0.265 117 T C 1.722 176.560 174.700 0.230 0.000 1.111 117 T CA 1.409 63.600 62.100 0.152 0.000 1.118 117 T CB -0.423 68.521 68.868 0.126 0.000 0.909 117 T HN 0.344 nan 8.240 nan 0.000 0.501 118 T N -0.459 114.202 114.554 0.178 0.000 3.129 118 T HA 0.574 4.924 4.350 0.001 0.000 0.251 118 T C 0.833 175.630 174.700 0.162 0.000 1.117 118 T CA -0.040 62.172 62.100 0.185 0.000 1.034 118 T CB -0.438 68.518 68.868 0.146 0.000 0.968 118 T HN 0.563 nan 8.240 nan 0.000 0.526 119 A N 1.123 124.044 122.820 0.168 0.000 2.462 119 A HA 0.598 4.919 4.320 0.001 0.000 0.243 119 A C -0.061 177.679 177.584 0.260 0.000 1.076 119 A CA -0.358 51.824 52.037 0.241 0.000 0.773 119 A CB 0.232 19.286 19.000 0.091 0.000 1.010 119 A HN 0.563 nan 8.150 nan 0.000 0.493 120 Q N -0.337 119.639 119.800 0.294 0.000 2.372 120 Q HA 0.673 5.014 4.340 0.001 0.000 0.273 120 Q C -1.052 174.960 176.000 0.020 0.000 1.078 120 Q CA -0.413 55.423 55.803 0.056 0.000 0.806 120 Q CB 2.592 31.173 28.738 -0.261 0.000 1.332 120 Q HN 0.762 nan 8.270 nan 0.000 0.435 121 V N 0.992 120.751 119.914 -0.258 0.000 3.087 121 V HA 0.587 4.708 4.120 0.001 0.000 0.306 121 V C -1.674 174.238 176.094 -0.304 0.000 1.187 121 V CA -0.560 61.422 62.300 -0.530 0.000 0.999 121 V CB 2.443 33.531 31.823 -1.225 0.000 1.049 121 V HN 0.732 nan 8.190 nan 0.000 0.431 122 E N 5.179 125.185 120.200 -0.324 0.000 2.187 122 E HA 0.520 4.870 4.350 0.001 0.000 0.268 122 E C -1.200 175.257 176.600 -0.238 0.000 0.896 122 E CA -0.532 55.807 56.400 -0.101 0.000 0.766 122 E CB 2.283 31.974 29.700 -0.015 0.000 1.142 122 E HN 0.496 nan 8.360 nan 0.000 0.408 123 I N 3.753 124.265 120.570 -0.096 0.000 2.378 123 I HA 0.429 4.600 4.170 0.001 0.000 0.291 123 I C -0.267 175.830 176.117 -0.033 0.000 0.992 123 I CA -0.697 60.466 61.300 -0.227 0.000 1.154 123 I CB 0.799 38.518 38.000 -0.467 0.000 1.315 123 I HN 0.341 nan 8.210 nan 0.000 0.448 124 L N 4.716 125.915 121.223 -0.040 0.000 2.409 124 L HA 0.806 5.147 4.340 0.001 0.000 0.262 124 L C 0.262 177.298 176.870 0.276 0.000 0.992 124 L CA -0.315 54.594 54.840 0.116 0.000 0.817 124 L CB 2.291 44.378 42.059 0.047 0.000 1.350 124 L HN 0.674 nan 8.230 nan 0.000 0.411 125 G N 0.437 109.412 108.800 0.290 0.000 2.453 125 G HA2 0.673 4.633 3.960 0.001 0.000 0.323 125 G HA3 0.673 4.633 3.960 0.001 0.000 0.323 125 G C -1.567 173.215 174.900 -0.197 0.000 1.198 125 G CA -0.512 44.601 45.100 0.021 0.000 0.959 125 G HN 0.479 nan 8.290 nan 0.000 0.482 126 K N 0.712 120.772 120.400 -0.567 0.000 2.323 126 K HA 0.567 4.887 4.320 0.001 0.000 0.259 126 K C -1.560 174.697 176.600 -0.573 0.000 0.947 126 K CA -0.644 55.239 56.287 -0.674 0.000 0.819 126 K CB 1.051 32.943 32.500 -1.012 0.000 1.109 126 K HN 0.502 nan 8.250 nan 0.000 0.429 127 Y N 1.947 122.137 120.300 -0.183 0.000 2.446 127 Y HA 0.190 4.740 4.550 0.001 0.000 0.345 127 Y C 0.343 176.166 175.900 -0.128 0.000 0.984 127 Y CA -0.912 57.122 58.100 -0.109 0.000 1.058 127 Y CB 1.374 39.789 38.460 -0.075 0.000 1.220 127 Y HN 0.753 nan 8.280 nan 0.000 0.455 128 D N 0.755 121.178 120.400 0.037 0.000 2.403 128 D HA 0.318 4.959 4.640 0.001 0.000 0.278 128 D C 1.115 177.383 176.300 -0.052 0.000 1.230 128 D CA -0.045 53.940 54.000 -0.025 0.000 1.062 128 D CB 0.137 40.926 40.800 -0.019 0.000 1.119 128 D HN 0.516 nan 8.370 nan 0.000 0.557 129 A N -0.991 121.788 122.820 -0.069 0.000 1.898 129 A HA -0.166 4.155 4.320 0.001 0.000 0.216 129 A C 1.998 179.510 177.584 -0.119 0.000 1.181 129 A CA 1.451 53.442 52.037 -0.077 0.000 0.620 129 A CB -0.938 18.028 19.000 -0.056 0.000 0.819 129 A HN 0.517 nan 8.150 nan 0.000 0.442 130 Q N -0.787 118.905 119.800 -0.179 0.000 2.482 130 Q HA 0.326 4.667 4.340 0.001 0.000 0.209 130 Q C 1.033 176.743 176.000 -0.484 0.000 0.961 130 Q CA 0.703 56.323 55.803 -0.305 0.000 0.945 130 Q CB -0.308 28.230 28.738 -0.334 0.000 1.012 130 Q HN 0.944 nan 8.270 nan 0.000 0.515 131 G N 0.328 108.938 108.800 -0.317 0.000 2.160 131 G HA2 -0.291 3.669 3.960 0.001 0.000 0.244 131 G HA3 -0.291 3.669 3.960 0.001 0.000 0.244 131 G C -0.641 174.222 174.900 -0.061 0.000 1.022 131 G CA -0.069 44.927 45.100 -0.174 0.000 0.741 131 G HN 0.570 nan 8.290 nan 0.000 0.508 132 H N -1.417 117.724 119.070 0.119 0.000 2.481 132 H HA 0.542 5.098 4.556 0.001 0.000 0.339 132 H C 0.533 175.936 175.328 0.126 0.000 1.131 132 H CA -1.039 55.077 56.048 0.113 0.000 1.301 132 H CB 1.536 31.316 29.762 0.030 0.000 1.476 132 H HN 0.215 nan 8.280 nan 0.000 0.529 133 L N 2.234 123.563 121.223 0.177 0.000 2.462 133 L HA 0.013 4.354 4.340 0.001 0.000 0.272 133 L C 1.177 177.976 176.870 -0.119 0.000 1.166 133 L CA 0.691 55.434 54.840 -0.162 0.000 0.880 133 L CB 0.531 42.477 42.059 -0.189 0.000 1.142 133 L HN 0.956 nan 8.230 nan 0.000 0.473 134 T N 0.492 114.932 114.554 -0.190 0.000 2.975 134 T HA 0.334 4.684 4.350 0.001 0.000 0.257 134 T C 0.393 175.023 174.700 -0.117 0.000 1.003 134 T CA 0.025 62.051 62.100 -0.123 0.000 0.932 134 T CB 0.009 68.806 68.868 -0.117 0.000 1.087 134 T HN 0.617 nan 8.240 nan 0.000 0.512 135 E N -0.209 119.904 120.200 -0.145 0.000 2.400 135 E HA 0.493 4.843 4.350 0.001 0.000 0.285 135 E C -1.941 174.695 176.600 0.061 0.000 1.005 135 E CA -0.717 55.661 56.400 -0.038 0.000 0.816 135 E CB 1.922 31.573 29.700 -0.081 0.000 1.220 135 E HN 0.322 nan 8.360 nan 0.000 0.426 136 I N 2.191 122.865 120.570 0.173 0.000 2.412 136 I HA 0.533 4.703 4.170 0.001 0.000 0.296 136 I C 0.411 176.623 176.117 0.159 0.000 0.987 136 I CA -0.636 60.790 61.300 0.209 0.000 1.180 136 I CB 1.950 40.039 38.000 0.149 0.000 1.340 136 I HN 0.530 nan 8.210 nan 0.000 0.455 137 G N 6.792 115.586 108.800 -0.010 0.000 2.416 137 G HA2 0.720 4.680 3.960 0.001 0.000 0.324 137 G HA3 0.720 4.680 3.960 0.001 0.000 0.324 137 G C -0.761 173.866 174.900 -0.455 0.000 1.194 137 G CA -0.379 44.404 45.100 -0.530 0.000 0.922 137 G HN 0.492 nan 8.290 nan 0.000 0.467 138 I N 2.249 122.516 120.570 -0.504 0.000 2.437 138 I HA 0.439 4.609 4.170 0.001 0.000 0.279 138 I C 0.210 175.907 176.117 -0.700 0.000 1.028 138 I CA -0.707 60.207 61.300 -0.643 0.000 1.142 138 I CB 1.850 39.429 38.000 -0.702 0.000 1.266 138 I HN 0.519 nan 8.210 nan 0.000 0.461 139 A N 6.985 129.407 122.820 -0.664 0.000 2.267 139 A HA 0.731 5.051 4.320 0.001 0.000 0.315 139 A C -0.898 176.358 177.584 -0.547 0.000 1.297 139 A CA -0.308 51.428 52.037 -0.502 0.000 0.865 139 A CB 0.221 18.999 19.000 -0.370 0.000 1.165 139 A HN 0.506 nan 8.150 nan 0.000 0.513 140 F N 1.658 121.470 119.950 -0.230 0.000 2.420 140 F HA 0.416 4.943 4.527 0.000 0.000 0.352 140 F C 1.132 176.817 175.800 -0.191 0.000 1.108 140 F CA -0.131 57.764 58.000 -0.174 0.000 1.162 140 F CB 1.098 40.069 39.000 -0.048 0.000 1.118 140 F HN 0.655 nan 8.300 nan 0.000 0.510 141 R N 2.039 122.509 120.500 -0.049 0.000 2.491 141 R HA 0.385 4.726 4.340 0.001 0.000 0.283 141 R C 0.692 176.931 176.300 -0.101 0.000 1.072 141 R CA -0.131 55.825 56.100 -0.241 0.000 1.048 141 R CB 0.388 30.568 30.300 -0.200 0.000 0.983 141 R HN 0.875 nan 8.270 nan 0.000 0.450 142 G N 1.849 110.522 108.800 -0.212 0.000 2.529 142 G HA2 -0.012 3.949 3.960 0.001 0.000 0.277 142 G HA3 -0.012 3.949 3.960 0.001 0.000 0.277 142 G C -0.608 174.452 174.900 0.265 0.000 1.383 142 G CA -0.559 44.645 45.100 0.172 0.000 1.050 142 G HN 0.637 nan 8.290 nan 0.000 0.526 143 T N 0.562 115.305 114.554 0.315 0.000 2.934 143 T HA 0.387 4.738 4.350 0.001 0.000 0.306 143 T C 0.419 175.291 174.700 0.288 0.000 1.042 143 T CA 1.300 63.560 62.100 0.266 0.000 1.145 143 T CB 0.018 69.041 68.868 0.258 0.000 0.982 143 T HN 1.953 nan 8.240 nan 0.000 0.544 144 S N 0.546 116.366 115.700 0.200 0.000 3.540 144 S HA 0.305 4.776 4.470 0.001 0.000 0.712 144 S C -0.426 174.257 174.600 0.140 0.000 0.823 144 S CA -0.728 57.573 58.200 0.168 0.000 1.177 144 S CB -0.975 62.340 63.200 0.192 0.000 0.798 144 S HN 1.455 nan 8.310 nan 0.000 0.328 145 G N -0.086 108.779 108.800 0.108 0.000 2.911 145 G HA2 0.833 4.794 3.960 0.001 0.000 0.299 145 G HA3 0.833 4.794 3.960 0.001 0.000 0.299 145 G C -3.476 171.464 174.900 0.067 0.000 1.283 145 G CA -1.227 43.917 45.100 0.073 0.000 0.805 145 G HN 0.741 nan 8.290 nan 0.000 0.548 146 P HA 0.135 nan 4.420 nan 0.000 0.265 146 P C 0.801 178.125 177.300 0.040 0.000 1.187 146 P CA 0.052 63.170 63.100 0.029 0.000 0.766 146 P CB 0.714 32.455 31.700 0.068 0.000 0.820 147 R N 1.957 122.470 120.500 0.021 0.000 2.133 147 R HA -0.242 4.098 4.340 0.001 0.000 0.247 147 R C 1.680 177.993 176.300 0.020 0.000 1.151 147 R CA 1.806 57.919 56.100 0.023 0.000 0.971 147 R CB -0.335 29.972 30.300 0.012 0.000 0.866 147 R HN 0.577 nan 8.270 nan 0.000 0.447 148 E N -0.291 119.919 120.200 0.017 0.000 2.171 148 E HA -0.169 4.182 4.350 0.001 0.000 0.197 148 E C 0.773 177.389 176.600 0.027 0.000 0.997 148 E CA 1.104 57.514 56.400 0.016 0.000 0.810 148 E CB -0.100 29.607 29.700 0.013 0.000 0.738 148 E HN 0.327 nan 8.360 nan 0.000 0.467 149 N N -0.314 118.414 118.700 0.046 0.000 2.588 149 N HA 0.061 4.802 4.740 0.001 0.000 0.298 149 N C 0.443 175.991 175.510 0.063 0.000 1.718 149 N CA -0.078 53.005 53.050 0.056 0.000 0.888 149 N CB 0.304 38.836 38.487 0.076 0.000 1.389 149 N HN -0.002 nan 8.380 nan 0.000 0.491 150 L N 0.911 122.164 121.223 0.051 0.000 1.994 150 L HA -0.060 4.281 4.340 0.001 0.000 0.208 150 L C 1.771 178.671 176.870 0.051 0.000 1.071 150 L CA 1.713 56.585 54.840 0.054 0.000 0.745 150 L CB -0.224 41.861 42.059 0.045 0.000 0.892 150 L HN 0.243 nan 8.230 nan 0.000 0.431 151 I N -0.961 119.632 120.570 0.039 0.000 2.163 151 I HA -0.233 3.938 4.170 0.001 0.000 0.240 151 I C 2.500 178.638 176.117 0.035 0.000 1.081 151 I CA 1.113 62.431 61.300 0.030 0.000 1.353 151 I CB -1.457 36.556 38.000 0.021 0.000 1.054 151 I HN 0.276 nan 8.210 nan 0.000 0.407 152 L N 1.103 122.349 121.223 0.039 0.000 2.012 152 L HA -0.236 4.105 4.340 0.001 0.000 0.210 152 L C 2.367 179.272 176.870 0.059 0.000 1.073 152 L CA 1.908 56.774 54.840 0.042 0.000 0.748 152 L CB -1.080 41.004 42.059 0.041 0.000 0.891 152 L HN 0.326 nan 8.230 nan 0.000 0.431 153 D N -1.483 118.962 120.400 0.076 0.000 2.117 153 D HA -0.159 4.482 4.640 0.001 0.000 0.197 153 D C 1.901 178.254 176.300 0.090 0.000 0.987 153 D CA 1.438 55.497 54.000 0.098 0.000 0.829 153 D CB 0.447 41.318 40.800 0.119 0.000 0.961 153 D HN 0.343 nan 8.370 nan 0.000 0.460 154 S N 0.240 115.985 115.700 0.076 0.000 2.382 154 S HA -0.114 4.357 4.470 0.001 0.000 0.228 154 S C 2.183 176.817 174.600 0.056 0.000 1.027 154 S CA 0.496 58.738 58.200 0.071 0.000 0.991 154 S CB -0.113 63.120 63.200 0.053 0.000 0.823 154 S HN 0.328 nan 8.310 nan 0.000 0.469 155 I N 1.598 122.194 120.570 0.043 0.000 2.179 155 I HA -0.160 4.010 4.170 0.001 0.000 0.242 155 I C 2.735 178.874 176.117 0.037 0.000 1.088 155 I CA 1.206 62.524 61.300 0.030 0.000 1.357 155 I CB -0.962 37.050 38.000 0.021 0.000 1.051 155 I HN 0.366 nan 8.210 nan 0.000 0.409 156 G N 0.650 109.480 108.800 0.050 0.000 2.491 156 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 156 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 156 G C 1.279 176.220 174.900 0.070 0.000 1.180 156 G CA 1.306 46.438 45.100 0.054 0.000 0.774 156 G HN 0.302 nan 8.290 nan 0.000 0.562 157 D N 0.164 120.621 120.400 0.096 0.000 2.123 157 D HA -0.106 4.534 4.640 0.001 0.000 0.196 157 D C 2.751 179.104 176.300 0.088 0.000 0.992 157 D CA 0.988 55.059 54.000 0.118 0.000 0.833 157 D CB -0.549 40.331 40.800 0.132 0.000 0.954 157 D HN 0.232 nan 8.370 nan 0.000 0.455 158 V N 1.013 120.967 119.914 0.066 0.000 2.407 158 V HA -0.205 3.916 4.120 0.001 0.000 0.248 158 V C 2.481 178.591 176.094 0.027 0.000 1.055 158 V CA 0.969 63.299 62.300 0.051 0.000 1.049 158 V CB -0.361 31.482 31.823 0.034 0.000 0.662 158 V HN 0.143 nan 8.190 nan 0.000 0.455 159 I N 0.586 121.164 120.570 0.012 0.000 2.226 159 I HA -0.266 3.904 4.170 0.001 0.000 0.245 159 I C 2.216 178.299 176.117 -0.056 0.000 1.100 159 I CA 2.026 63.312 61.300 -0.024 0.000 1.374 159 I CB -0.611 37.371 38.000 -0.030 0.000 1.057 159 I HN 0.386 nan 8.210 nan 0.000 0.413 160 N N 0.493 119.197 118.700 0.008 0.000 2.043 160 N HA -0.210 4.530 4.740 0.001 0.000 0.193 160 N C 1.441 176.968 175.510 0.028 0.000 1.037 160 N CA 1.477 54.583 53.050 0.093 0.000 0.851 160 N CB -0.130 38.506 38.487 0.248 0.000 1.027 160 N HN 0.309 nan 8.380 nan 0.000 0.422 161 D N 1.057 121.468 120.400 0.019 0.000 2.116 161 D HA -0.154 4.487 4.640 0.001 0.000 0.193 161 D C 2.010 178.284 176.300 -0.044 0.000 0.998 161 D CA 0.944 54.942 54.000 -0.003 0.000 0.836 161 D CB -0.390 40.437 40.800 0.046 0.000 0.951 161 D HN 0.288 nan 8.370 nan 0.000 0.449 162 L N 0.036 121.245 121.223 -0.024 0.000 2.141 162 L HA -0.132 4.209 4.340 0.001 0.000 0.209 162 L C 2.265 179.087 176.870 -0.080 0.000 1.094 162 L CA 0.198 55.057 54.840 0.031 0.000 0.763 162 L CB -0.131 41.988 42.059 0.100 0.000 0.908 162 L HN 0.056 nan 8.230 nan 0.000 0.437 163 L N -0.137 120.918 121.223 -0.280 0.000 2.141 163 L HA -0.077 4.264 4.340 0.001 0.000 0.209 163 L C 2.745 179.310 176.870 -0.509 0.000 1.094 163 L CA 1.776 56.261 54.840 -0.592 0.000 0.763 163 L CB -1.383 39.892 42.059 -1.306 0.000 0.908 163 L HN 0.160 nan 8.230 nan 0.000 0.437 164 A N -0.839 121.822 122.820 -0.265 0.000 1.978 164 A HA -0.116 4.205 4.320 0.001 0.000 0.220 164 A C 2.392 179.892 177.584 -0.141 0.000 1.170 164 A CA 1.835 53.861 52.037 -0.017 0.000 0.636 164 A CB -0.498 18.503 19.000 0.001 0.000 0.810 164 A HN 0.399 nan 8.150 nan 0.000 0.448 165 A N -2.340 120.281 122.820 -0.332 0.000 1.956 165 A HA 0.431 4.752 4.320 0.001 0.000 0.212 165 A C 1.281 178.426 177.584 -0.732 0.000 1.188 165 A CA 0.895 52.554 52.037 -0.629 0.000 0.675 165 A CB -0.055 18.297 19.000 -1.081 0.000 0.845 165 A HN 0.447 nan 8.150 nan 0.000 0.455 166 F N -1.181 118.683 119.950 -0.144 0.000 2.798 166 F HA 0.380 4.907 4.527 0.000 0.000 0.328 166 F C 1.350 177.071 175.800 -0.132 0.000 1.098 166 F CA -0.360 57.540 58.000 -0.166 0.000 1.172 166 F CB 0.105 38.969 39.000 -0.228 0.000 1.072 166 F HN 0.234 nan 8.300 nan 0.000 0.555 167 G N 0.039 108.821 108.800 -0.030 0.000 2.940 167 G HA2 0.472 4.432 3.960 0.001 0.000 0.164 167 G HA3 0.472 4.432 3.960 0.001 0.000 0.164 167 G C -2.328 172.596 174.900 0.039 0.000 1.326 167 G CA -1.154 43.919 45.100 -0.044 0.000 1.020 167 G HN -0.191 nan 8.290 nan 0.000 0.586 168 P HA 0.102 nan 4.420 nan 0.000 0.265 168 P C 0.596 177.975 177.300 0.132 0.000 1.187 168 P CA 0.016 63.196 63.100 0.132 0.000 0.766 168 P CB 0.967 32.784 31.700 0.195 0.000 0.820 169 K N 2.145 122.599 120.400 0.090 0.000 2.113 169 K HA -0.198 4.123 4.320 0.001 0.000 0.208 169 K C 0.491 177.139 176.600 0.080 0.000 1.047 169 K CA 1.796 58.126 56.287 0.071 0.000 0.928 169 K CB -0.201 32.328 32.500 0.049 0.000 0.716 169 K HN 0.292 nan 8.250 nan 0.000 0.446 170 D N -0.387 120.066 120.400 0.088 0.000 2.358 170 D HA -0.020 4.621 4.640 0.001 0.000 0.224 170 D C 0.713 177.077 176.300 0.107 0.000 1.123 170 D CA -0.054 53.989 54.000 0.072 0.000 0.833 170 D CB -0.069 40.752 40.800 0.035 0.000 0.946 170 D HN 0.293 nan 8.370 nan 0.000 0.505 171 Y N 2.171 122.503 120.300 0.053 0.000 2.081 171 Y HA -0.326 4.224 4.550 -0.001 0.000 0.280 171 Y C 2.288 178.260 175.900 0.121 0.000 1.163 171 Y CA 2.285 60.444 58.100 0.099 0.000 1.135 171 Y CB -0.064 38.448 38.460 0.086 0.000 0.970 171 Y HN 0.047 nan 8.280 nan 0.000 0.498 172 A N 0.335 123.294 122.820 0.232 0.000 1.877 172 A HA -0.257 4.064 4.320 0.001 0.000 0.216 172 A C 2.278 179.880 177.584 0.030 0.000 1.186 172 A CA 2.023 54.127 52.037 0.112 0.000 0.620 172 A CB -0.918 18.121 19.000 0.066 0.000 0.822 172 A HN 0.569 nan 8.150 nan 0.000 0.443 173 K N -0.352 120.059 120.400 0.018 0.000 2.089 173 K HA -0.216 4.104 4.320 0.001 0.000 0.210 173 K C 1.179 177.773 176.600 -0.010 0.000 1.048 173 K CA 1.923 58.208 56.287 -0.002 0.000 0.926 173 K CB -0.199 32.299 32.500 -0.004 0.000 0.714 173 K HN 0.483 nan 8.250 nan 0.000 0.448 174 N N -0.395 118.281 118.700 -0.040 0.000 2.353 174 N HA -0.087 4.654 4.740 0.001 0.000 0.185 174 N C 1.156 176.584 175.510 -0.136 0.000 1.098 174 N CA 0.278 53.275 53.050 -0.088 0.000 0.872 174 N CB -0.095 38.325 38.487 -0.112 0.000 0.970 174 N HN 0.271 nan 8.380 nan 0.000 0.467 175 Y N 2.196 122.352 120.300 -0.241 0.000 2.030 175 Y HA -0.330 4.220 4.550 0.000 0.000 0.272 175 Y C 2.154 177.945 175.900 -0.182 0.000 1.185 175 Y CA 1.789 59.767 58.100 -0.203 0.000 1.120 175 Y CB -0.424 37.976 38.460 -0.100 0.000 0.955 175 Y HN -0.173 nan 8.280 nan 0.000 0.495 176 V N 0.108 120.005 119.914 -0.027 0.000 2.515 176 V HA -0.229 3.892 4.120 0.001 0.000 0.250 176 V C 2.568 178.712 176.094 0.084 0.000 1.058 176 V CA 1.702 63.996 62.300 -0.010 0.000 1.064 176 V CB -1.471 30.354 31.823 0.004 0.000 0.675 176 V HN 0.681 nan 8.190 nan 0.000 0.461 177 G N -0.174 108.676 108.800 0.084 0.000 2.459 177 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 177 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 177 G C 1.470 176.280 174.900 -0.149 0.000 1.183 177 G CA 0.709 45.845 45.100 0.060 0.000 0.776 177 G HN 0.485 nan 8.290 nan 0.000 0.552 178 E N 0.823 120.765 120.200 -0.430 0.000 2.106 178 E HA -0.013 4.337 4.350 0.001 0.000 0.192 178 E C 2.839 178.939 176.600 -0.833 0.000 0.984 178 E CA 1.046 56.997 56.400 -0.748 0.000 0.806 178 E CB -0.432 28.440 29.700 -1.380 0.000 0.750 178 E HN 0.391 nan 8.360 nan 0.000 0.458 179 A N -0.070 122.225 122.820 -0.875 0.000 1.898 179 A HA 0.009 4.330 4.320 0.001 0.000 0.214 179 A C 1.090 178.199 177.584 -0.791 0.000 1.183 179 A CA 0.804 52.308 52.037 -0.888 0.000 0.622 179 A CB -0.073 18.263 19.000 -1.107 0.000 0.824 179 A HN 0.176 nan 8.150 nan 0.000 0.444 180 F N -1.127 118.785 119.950 -0.064 0.000 2.811 180 F HA 0.319 4.848 4.527 0.003 0.000 0.342 180 F C 1.812 177.675 175.800 0.105 0.000 1.203 180 F CA -0.424 57.587 58.000 0.018 0.000 1.173 180 F CB -0.044 38.948 39.000 -0.014 0.000 1.094 180 F HN 0.184 nan 8.300 nan 0.000 0.510 181 G N 0.748 109.727 108.800 0.299 0.000 2.476 181 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 181 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 181 G C 1.738 176.930 174.900 0.486 0.000 1.164 181 G CA 1.229 46.631 45.100 0.502 0.000 0.768 181 G HN 0.240 nan 8.290 nan 0.000 0.560 182 N N 0.348 119.236 118.700 0.313 0.000 2.058 182 N HA -0.089 4.652 4.740 0.001 0.000 0.191 182 N C 2.137 177.822 175.510 0.292 0.000 1.037 182 N CA 1.179 54.410 53.050 0.302 0.000 0.848 182 N CB -0.691 37.966 38.487 0.283 0.000 1.021 182 N HN 0.249 nan 8.380 nan 0.000 0.422 183 L N 1.690 123.066 121.223 0.255 0.000 2.051 183 L HA -0.120 4.220 4.340 0.001 0.000 0.214 183 L C 2.046 178.800 176.870 -0.194 0.000 1.076 183 L CA 1.436 56.170 54.840 -0.177 0.000 0.758 183 L CB -0.691 41.063 42.059 -0.508 0.000 0.890 183 L HN 0.162 nan 8.230 nan 0.000 0.433 184 L N -0.789 120.349 121.223 -0.141 0.000 2.141 184 L HA -0.160 4.181 4.340 0.001 0.000 0.209 184 L C 2.297 179.132 176.870 -0.059 0.000 1.094 184 L CA 0.840 55.489 54.840 -0.319 0.000 0.763 184 L CB -0.720 40.755 42.059 -0.974 0.000 0.908 184 L HN 0.389 nan 8.230 nan 0.000 0.437 185 N N 0.216 119.022 118.700 0.177 0.000 2.120 185 N HA -0.177 4.563 4.740 0.001 0.000 0.188 185 N C 1.391 176.958 175.510 0.094 0.000 1.024 185 N CA 1.370 54.558 53.050 0.230 0.000 0.852 185 N CB -0.229 38.422 38.487 0.273 0.000 1.003 185 N HN 0.297 nan 8.380 nan 0.000 0.424 186 D N 0.379 120.832 120.400 0.088 0.000 2.144 186 D HA -0.067 4.574 4.640 0.001 0.000 0.199 186 D C 2.097 178.409 176.300 0.021 0.000 0.984 186 D CA 0.418 54.459 54.000 0.068 0.000 0.834 186 D CB -0.261 40.608 40.800 0.114 0.000 0.955 186 D HN 0.017 nan 8.370 nan 0.000 0.465 187 V N 0.685 120.572 119.914 -0.044 0.000 2.295 187 V HA -0.211 3.910 4.120 0.001 0.000 0.246 187 V C 2.686 178.783 176.094 0.005 0.000 1.049 187 V CA 1.010 63.309 62.300 -0.002 0.000 1.024 187 V CB -0.509 31.280 31.823 -0.057 0.000 0.648 187 V HN 0.060 nan 8.190 nan 0.000 0.447 188 V N 0.356 120.185 119.914 -0.141 0.000 2.324 188 V HA -0.325 3.796 4.120 0.001 0.000 0.250 188 V C 2.680 178.481 176.094 -0.487 0.000 1.060 188 V CA 2.257 64.173 62.300 -0.640 0.000 1.042 188 V CB -1.087 30.363 31.823 -0.621 0.000 0.650 188 V HN 0.586 nan 8.190 nan 0.000 0.450 189 A N -1.022 121.689 122.820 -0.182 0.000 1.930 189 A HA -0.196 4.124 4.320 0.001 0.000 0.217 189 A C 2.078 179.650 177.584 -0.019 0.000 1.175 189 A CA 1.808 53.794 52.037 -0.087 0.000 0.627 189 A CB -0.610 18.395 19.000 0.008 0.000 0.815 189 A HN 0.544 nan 8.150 nan 0.000 0.443 190 F N 0.853 120.738 119.950 -0.108 0.000 2.206 190 F HA 0.073 4.601 4.527 0.002 0.000 0.298 190 F C 2.433 178.202 175.800 -0.052 0.000 1.090 190 F CA 0.888 58.856 58.000 -0.054 0.000 1.323 190 F CB -0.362 38.619 39.000 -0.032 0.000 1.028 190 F HN 0.237 nan 8.300 nan 0.000 0.492 191 A N 0.893 123.658 122.820 -0.093 0.000 1.873 191 A HA -0.154 4.166 4.320 0.001 0.000 0.215 191 A C 2.323 179.820 177.584 -0.144 0.000 1.186 191 A CA 1.563 53.531 52.037 -0.116 0.000 0.616 191 A CB -0.632 18.407 19.000 0.065 0.000 0.823 191 A HN 0.307 nan 8.150 nan 0.000 0.442 192 K N -0.163 120.137 120.400 -0.166 0.000 2.001 192 K HA -0.192 4.129 4.320 0.001 0.000 0.214 192 K C 2.237 178.768 176.600 -0.116 0.000 1.050 192 K CA 1.474 57.697 56.287 -0.107 0.000 0.934 192 K CB -0.767 31.653 32.500 -0.133 0.000 0.718 192 K HN 0.449 nan 8.250 nan 0.000 0.443 193 A N 1.882 124.612 122.820 -0.151 0.000 2.084 193 A HA -0.161 4.160 4.320 0.001 0.000 0.221 193 A C 1.528 178.989 177.584 -0.204 0.000 1.161 193 A CA 1.476 53.423 52.037 -0.151 0.000 0.653 193 A CB -0.331 18.595 19.000 -0.125 0.000 0.802 193 A HN 0.372 nan 8.150 nan 0.000 0.457 194 N N -1.369 117.162 118.700 -0.281 0.000 2.203 194 N HA 0.199 4.939 4.740 0.001 0.000 0.207 194 N C 0.884 176.306 175.510 -0.146 0.000 1.130 194 N CA 0.686 53.587 53.050 -0.248 0.000 0.861 194 N CB 0.636 38.898 38.487 -0.376 0.000 1.005 194 N HN 0.579 nan 8.380 nan 0.000 0.507 195 G N 1.219 109.956 108.800 -0.104 0.000 2.136 195 G HA2 -0.237 3.723 3.960 0.001 0.000 0.242 195 G HA3 -0.237 3.723 3.960 0.001 0.000 0.242 195 G C -0.350 174.535 174.900 -0.024 0.000 0.989 195 G CA -0.100 44.965 45.100 -0.058 0.000 0.682 195 G HN 0.125 nan 8.290 nan 0.000 0.522 196 L N 1.424 122.645 121.223 -0.004 0.000 2.322 196 L HA 0.783 5.123 4.340 0.001 0.000 0.279 196 L C 1.022 177.990 176.870 0.164 0.000 1.036 196 L CA 0.225 55.094 54.840 0.049 0.000 0.807 196 L CB 1.765 43.847 42.059 0.039 0.000 1.226 196 L HN 0.489 nan 8.230 nan 0.000 0.433 197 S N 0.458 116.198 115.700 0.066 0.000 2.753 197 S HA 0.592 5.063 4.470 0.001 0.000 0.302 197 S C 1.076 175.431 174.600 -0.408 0.000 1.104 197 S CA -0.075 58.055 58.200 -0.117 0.000 0.968 197 S CB 0.738 63.844 63.200 -0.157 0.000 1.278 197 S HN 0.655 nan 8.310 nan 0.000 0.549 198 G N 0.781 109.071 108.800 -0.849 0.000 2.422 198 G HA2 -0.169 3.792 3.960 0.001 0.000 0.218 198 G HA3 -0.169 3.792 3.960 0.001 0.000 0.218 198 G C 1.289 176.086 174.900 -0.170 0.000 1.140 198 G CA 0.904 45.618 45.100 -0.642 0.000 0.775 198 G HN 0.910 nan 8.290 nan 0.000 0.545 199 K N 0.317 120.649 120.400 -0.112 0.000 2.360 199 K HA -0.038 4.283 4.320 0.001 0.000 0.201 199 K C 0.648 177.274 176.600 0.043 0.000 1.046 199 K CA 1.505 57.804 56.287 0.020 0.000 0.945 199 K CB 0.078 32.602 32.500 0.039 0.000 0.750 199 K HN 0.107 nan 8.250 nan 0.000 0.464 200 D N 1.212 121.621 120.400 0.016 0.000 2.358 200 D HA 0.073 4.714 4.640 0.001 0.000 0.224 200 D C -0.582 175.759 176.300 0.068 0.000 1.123 200 D CA 0.043 54.066 54.000 0.039 0.000 0.833 200 D CB 0.710 41.528 40.800 0.030 0.000 0.946 200 D HN -0.005 nan 8.370 nan 0.000 0.505 201 V N 1.897 121.849 119.914 0.063 0.000 2.409 201 V HA 0.275 4.395 4.120 0.001 0.000 0.291 201 V C -0.353 175.707 176.094 -0.056 0.000 1.020 201 V CA -0.988 61.347 62.300 0.059 0.000 0.848 201 V CB 2.267 34.205 31.823 0.192 0.000 0.990 201 V HN -0.053 nan 8.190 nan 0.000 0.430 202 L N 7.020 128.186 121.223 -0.095 0.000 2.296 202 L HA 0.690 5.031 4.340 0.001 0.000 0.286 202 L C -0.430 176.250 176.870 -0.317 0.000 1.023 202 L CA 0.063 54.782 54.840 -0.201 0.000 0.812 202 L CB 1.693 43.662 42.059 -0.151 0.000 1.223 202 L HN 0.448 nan 8.230 nan 0.000 0.421 203 V N 4.756 124.443 119.914 -0.379 0.000 2.370 203 V HA 0.705 4.826 4.120 0.001 0.000 0.283 203 V C 0.196 176.181 176.094 -0.182 0.000 1.023 203 V CA -0.193 61.922 62.300 -0.308 0.000 0.857 203 V CB 0.832 32.490 31.823 -0.274 0.000 0.985 203 V HN 0.910 nan 8.190 nan 0.000 0.443 204 S N 2.382 117.979 115.700 -0.172 0.000 2.806 204 S HA 1.017 5.487 4.470 0.001 0.000 0.306 204 S C -0.226 174.381 174.600 0.010 0.000 1.167 204 S CA 0.130 58.276 58.200 -0.090 0.000 0.847 204 S CB 2.099 65.218 63.200 -0.135 0.000 1.216 204 S HN 1.514 nan 8.310 nan 0.000 0.532 205 G N 0.466 109.304 108.800 0.064 0.000 2.350 205 G HA2 0.294 4.254 3.960 0.001 0.000 0.304 205 G HA3 0.294 4.254 3.960 0.001 0.000 0.304 205 G C -2.102 172.891 174.900 0.155 0.000 1.421 205 G CA -0.747 44.397 45.100 0.073 0.000 0.934 205 G HN 0.811 nan 8.290 nan 0.000 0.632 206 H N 0.295 119.359 119.070 -0.009 0.000 2.637 206 H HA 0.733 5.289 4.556 0.001 0.000 0.363 206 H C 0.718 176.080 175.328 0.057 0.000 1.131 206 H CA 0.841 56.889 56.048 -0.001 0.000 1.183 206 H CB 1.970 31.729 29.762 -0.004 0.000 1.637 206 H HN 1.532 nan 8.280 nan 0.000 0.531 207 S N 2.118 117.623 115.700 -0.325 0.000 4.116 207 S HA -0.328 4.142 4.470 0.001 0.000 0.623 207 S C 1.493 176.099 174.600 0.009 0.000 1.933 207 S CA 1.278 59.452 58.200 -0.044 0.000 4.224 207 S CB -1.289 62.074 63.200 0.271 0.000 0.208 207 S HN 0.647 nan 8.310 nan 0.000 0.527 208 L N 2.719 123.982 121.223 0.066 0.000 2.129 208 L HA 0.124 4.465 4.340 0.001 0.000 0.212 208 L C 2.273 179.101 176.870 -0.071 0.000 1.087 208 L CA 3.123 57.940 54.840 -0.039 0.000 0.757 208 L CB -1.315 40.742 42.059 -0.004 0.000 0.896 208 L HN 0.707 nan 8.230 nan 0.000 0.434 209 G N -1.648 107.170 108.800 0.030 0.000 2.551 209 G HA2 -0.038 3.923 3.960 0.001 0.000 0.216 209 G HA3 -0.038 3.923 3.960 0.001 0.000 0.216 209 G C 1.466 176.392 174.900 0.043 0.000 1.137 209 G CA 0.365 45.512 45.100 0.079 0.000 0.798 209 G HN 0.573 nan 8.290 nan 0.000 0.536 210 G N 0.929 109.731 108.800 0.003 0.000 2.408 210 G HA2 -0.134 3.826 3.960 0.001 0.000 0.217 210 G HA3 -0.134 3.826 3.960 0.001 0.000 0.217 210 G C 1.688 176.553 174.900 -0.058 0.000 1.150 210 G CA 0.713 45.802 45.100 -0.019 0.000 0.776 210 G HN 0.414 nan 8.290 nan 0.000 0.542 211 L N 0.625 121.788 121.223 -0.101 0.000 2.017 211 L HA 0.001 4.342 4.340 0.001 0.000 0.208 211 L C 3.180 179.938 176.870 -0.187 0.000 1.073 211 L CA 1.721 56.472 54.840 -0.148 0.000 0.745 211 L CB -0.277 41.655 42.059 -0.211 0.000 0.894 211 L HN 0.267 nan 8.230 nan 0.000 0.432 212 A N -0.631 122.033 122.820 -0.260 0.000 1.883 212 A HA -0.194 4.126 4.320 0.001 0.000 0.217 212 A C 2.204 179.488 177.584 -0.501 0.000 1.186 212 A CA 2.031 53.799 52.037 -0.448 0.000 0.624 212 A CB -1.114 17.457 19.000 -0.716 0.000 0.822 212 A HN 0.339 nan 8.150 nan 0.000 0.444 213 V N 1.202 120.984 119.914 -0.222 0.000 2.282 213 V HA -0.339 3.782 4.120 0.001 0.000 0.249 213 V C 2.270 178.364 176.094 0.000 0.000 1.057 213 V CA 2.316 64.638 62.300 0.037 0.000 1.032 213 V CB -0.944 30.944 31.823 0.110 0.000 0.645 213 V HN 0.614 nan 8.190 nan 0.000 0.447 214 N N -0.469 118.192 118.700 -0.066 0.000 2.270 214 N HA -0.124 4.616 4.740 0.001 0.000 0.181 214 N C 2.140 177.588 175.510 -0.103 0.000 1.016 214 N CA 1.437 54.432 53.050 -0.091 0.000 0.870 214 N CB -0.084 38.362 38.487 -0.069 0.000 0.979 214 N HN 0.495 nan 8.380 nan 0.000 0.431 215 S N 1.513 117.156 115.700 -0.094 0.000 2.353 215 S HA -0.112 4.358 4.470 0.001 0.000 0.222 215 S C 1.999 176.593 174.600 -0.009 0.000 1.035 215 S CA 0.893 59.063 58.200 -0.050 0.000 1.025 215 S CB -0.140 63.045 63.200 -0.026 0.000 0.902 215 S HN 0.225 nan 8.310 nan 0.000 0.440 216 M N 0.727 120.320 119.600 -0.011 0.000 2.149 216 M HA -0.085 4.395 4.480 0.001 0.000 0.261 216 M C 2.161 178.493 176.300 0.053 0.000 1.064 216 M CA 1.646 57.026 55.300 0.133 0.000 1.102 216 M CB -0.503 32.195 32.600 0.163 0.000 1.369 216 M HN 0.518 nan 8.290 nan 0.000 0.408 217 A N 0.276 122.923 122.820 -0.289 0.000 1.877 217 A HA -0.213 4.108 4.320 0.001 0.000 0.216 217 A C 1.670 179.129 177.584 -0.208 0.000 1.186 217 A CA 2.143 53.795 52.037 -0.641 0.000 0.620 217 A CB -0.970 17.506 19.000 -0.874 0.000 0.822 217 A HN 0.514 nan 8.150 nan 0.000 0.443 218 D N -0.029 120.301 120.400 -0.116 0.000 2.149 218 D HA -0.120 4.520 4.640 0.001 0.000 0.198 218 D C 1.789 178.089 176.300 0.000 0.000 0.990 218 D CA 1.150 55.121 54.000 -0.048 0.000 0.839 218 D CB -0.252 40.525 40.800 -0.037 0.000 0.948 218 D HN 0.474 nan 8.370 nan 0.000 0.460 219 L N 0.666 121.923 121.223 0.058 0.000 2.418 219 L HA -0.029 4.311 4.340 0.001 0.000 0.218 219 L C 2.340 179.306 176.870 0.160 0.000 1.125 219 L CA 0.460 55.341 54.840 0.069 0.000 0.835 219 L CB -0.238 41.882 42.059 0.101 0.000 0.953 219 L HN 0.001 nan 8.230 nan 0.000 0.454 220 S N -0.147 115.720 115.700 0.278 0.000 2.419 220 S HA -0.113 4.358 4.470 0.001 0.000 0.233 220 S C 2.031 176.802 174.600 0.284 0.000 1.016 220 S CA 0.979 59.436 58.200 0.429 0.000 0.974 220 S CB -0.754 62.715 63.200 0.447 0.000 0.786 220 S HN 0.426 nan 8.310 nan 0.000 0.492 221 G N 0.864 109.751 108.800 0.145 0.000 2.421 221 G HA2 0.263 4.224 3.960 0.001 0.000 0.217 221 G HA3 0.263 4.224 3.960 0.001 0.000 0.217 221 G C 1.225 176.162 174.900 0.061 0.000 1.143 221 G CA 0.557 45.711 45.100 0.090 0.000 0.784 221 G HN 0.658 nan 8.290 nan 0.000 0.541 222 G N -0.607 108.207 108.800 0.024 0.000 2.768 222 G HA2 0.287 4.248 3.960 0.001 0.000 0.201 222 G HA3 0.287 4.248 3.960 0.001 0.000 0.201 222 G C 0.637 175.482 174.900 -0.093 0.000 1.089 222 G CA -0.047 45.032 45.100 -0.035 0.000 0.787 222 G HN 0.226 nan 8.290 nan 0.000 0.547 223 K N -0.881 119.408 120.400 -0.185 0.000 2.132 223 K HA 0.451 4.771 4.320 0.001 0.000 0.241 223 K C 0.022 176.537 176.600 -0.143 0.000 1.000 223 K CA -1.023 54.974 56.287 -0.485 0.000 0.911 223 K CB 0.380 32.115 32.500 -1.275 0.000 1.093 223 K HN 0.246 nan 8.250 nan 0.000 0.460 224 W N 0.183 121.575 121.300 0.154 0.000 4.973 224 W HA -0.223 4.437 4.660 -0.000 0.000 0.350 224 W C 0.726 177.309 176.519 0.106 0.000 1.280 224 W CA 1.094 58.537 57.345 0.164 0.000 0.854 224 W CB -2.476 27.193 29.460 0.349 0.000 2.367 224 W HN 0.974 nan 8.180 nan 0.000 1.511 225 G N -1.096 107.798 108.800 0.157 0.000 2.179 225 G HA2 0.054 4.014 3.960 0.001 0.000 0.257 225 G HA3 0.054 4.014 3.960 0.001 0.000 0.257 225 G C 1.245 176.235 174.900 0.150 0.000 1.010 225 G CA 1.338 46.510 45.100 0.120 0.000 0.736 225 G HN 1.757 nan 8.290 nan 0.000 0.513 226 G N -1.560 107.354 108.800 0.190 0.000 2.168 226 G HA2 -0.276 3.685 3.960 0.001 0.000 0.263 226 G HA3 -0.276 3.685 3.960 0.001 0.000 0.263 226 G C 1.033 176.045 174.900 0.188 0.000 0.977 226 G CA 1.080 46.289 45.100 0.182 0.000 0.659 226 G HN 1.503 nan 8.290 nan 0.000 0.533 227 F N 0.483 120.443 119.950 0.017 0.000 2.161 227 F HA 0.131 4.659 4.527 0.001 0.000 0.300 227 F C 1.999 177.685 175.800 -0.189 0.000 1.089 227 F CA 2.100 59.991 58.000 -0.181 0.000 1.282 227 F CB -0.154 38.594 39.000 -0.421 0.000 1.010 227 F HN 0.162 nan 8.300 nan 0.000 0.485 228 F N -0.175 119.960 119.950 0.309 0.000 2.773 228 F HA 0.280 4.807 4.527 0.001 0.000 0.304 228 F C 2.119 178.065 175.800 0.243 0.000 1.129 228 F CA 0.356 58.490 58.000 0.223 0.000 1.378 228 F CB -1.271 37.925 39.000 0.326 0.000 1.095 228 F HN 0.033 nan 8.300 nan 0.000 0.565 229 A N -0.173 122.827 122.820 0.299 0.000 1.940 229 A HA -0.183 4.138 4.320 0.001 0.000 0.219 229 A C 1.597 179.320 177.584 0.231 0.000 1.176 229 A CA 1.972 54.154 52.037 0.242 0.000 0.631 229 A CB -0.433 18.647 19.000 0.133 0.000 0.814 229 A HN 0.224 nan 8.150 nan 0.000 0.446 230 D N -0.110 120.374 120.400 0.141 0.000 2.463 230 D HA 0.218 4.859 4.640 0.001 0.000 0.224 230 D C 0.028 176.418 176.300 0.150 0.000 1.174 230 D CA 0.052 54.124 54.000 0.119 0.000 0.829 230 D CB 0.343 41.156 40.800 0.022 0.000 0.993 230 D HN 0.236 nan 8.370 nan 0.000 0.497 231 S N 0.840 116.668 115.700 0.212 0.000 2.617 231 S HA 0.194 4.664 4.470 0.001 0.000 0.259 231 S C 0.525 175.150 174.600 0.041 0.000 1.301 231 S CA -0.373 57.864 58.200 0.063 0.000 0.984 231 S CB 0.766 63.939 63.200 -0.045 0.000 0.954 231 S HN 0.167 nan 8.310 nan 0.000 0.572 232 N N 1.051 119.669 118.700 -0.135 0.000 2.424 232 N HA 0.325 5.065 4.740 0.001 0.000 0.271 232 N C -1.742 173.572 175.510 -0.326 0.000 0.985 232 N CA -0.083 52.994 53.050 0.045 0.000 0.921 232 N CB 0.973 39.513 38.487 0.088 0.000 1.149 232 N HN 0.469 nan 8.380 nan 0.000 0.492 233 Y N 1.949 122.271 120.300 0.038 0.000 2.338 233 Y HA 0.505 5.055 4.550 0.000 0.000 0.328 233 Y C 0.091 175.852 175.900 -0.232 0.000 0.965 233 Y CA -0.587 57.482 58.100 -0.052 0.000 1.208 233 Y CB 1.288 39.782 38.460 0.056 0.000 1.132 233 Y HN 0.294 nan 8.280 nan 0.000 0.469 234 I N 3.411 123.857 120.570 -0.206 0.000 2.439 234 I HA 0.684 4.855 4.170 0.001 0.000 0.285 234 I C -0.512 175.366 176.117 -0.398 0.000 1.021 234 I CA -0.786 60.295 61.300 -0.364 0.000 1.091 234 I CB 1.521 39.220 38.000 -0.501 0.000 1.242 234 I HN 0.651 nan 8.210 nan 0.000 0.439 235 A N 6.210 128.805 122.820 -0.374 0.000 2.342 235 A HA 0.797 5.117 4.320 0.001 0.000 0.323 235 A C -1.559 175.759 177.584 -0.444 0.000 1.125 235 A CA -0.341 51.526 52.037 -0.283 0.000 0.785 235 A CB 0.724 19.676 19.000 -0.079 0.000 1.221 235 A HN 0.576 nan 8.150 nan 0.000 0.463 236 Y N 0.977 121.194 120.300 -0.139 0.000 2.335 236 Y HA 0.485 5.035 4.550 0.000 0.000 0.338 236 Y C 0.965 176.632 175.900 -0.388 0.000 0.977 236 Y CA 0.229 58.171 58.100 -0.264 0.000 1.114 236 Y CB 1.913 40.179 38.460 -0.324 0.000 1.182 236 Y HN 1.366 nan 8.280 nan 0.000 0.463 237 A N 1.866 124.564 122.820 -0.203 0.000 2.832 237 A HA -0.230 4.091 4.320 0.001 0.000 0.280 237 A C 0.632 178.251 177.584 0.058 0.000 1.464 237 A CA 0.855 52.830 52.037 -0.105 0.000 0.804 237 A CB -1.831 16.800 19.000 -0.614 0.000 1.020 237 A HN 0.612 nan 8.150 nan 0.000 0.563 238 S N 0.041 115.835 115.700 0.157 0.000 2.549 238 S HA 0.480 4.951 4.470 0.001 0.000 0.279 238 S C -0.298 174.324 174.600 0.036 0.000 1.321 238 S CA -0.755 57.478 58.200 0.055 0.000 1.054 238 S CB 0.721 63.940 63.200 0.031 0.000 0.899 238 S HN 0.377 nan 8.310 nan 0.000 0.497 239 P HA 0.047 nan 4.420 nan 0.000 0.225 239 P C 0.471 177.680 177.300 -0.152 0.000 1.156 239 P CA 0.688 63.708 63.100 -0.132 0.000 0.787 239 P CB -0.299 31.316 31.700 -0.142 0.000 0.802 240 T N -2.735 111.754 114.554 -0.109 0.000 2.950 240 T HA 0.646 4.997 4.350 0.001 0.000 0.288 240 T C -0.645 174.005 174.700 -0.083 0.000 1.035 240 T CA -0.703 61.336 62.100 -0.102 0.000 1.028 240 T CB 1.702 70.522 68.868 -0.080 0.000 1.109 240 T HN -0.195 nan 8.240 nan 0.000 0.514 241 Q N 0.884 120.637 119.800 -0.077 0.000 2.323 241 Q HA 0.607 4.948 4.340 0.001 0.000 0.271 241 Q C -0.245 175.725 176.000 -0.049 0.000 1.048 241 Q CA -0.707 55.063 55.803 -0.055 0.000 0.792 241 Q CB 1.953 30.658 28.738 -0.055 0.000 1.280 241 Q HN 0.847 nan 8.270 nan 0.000 0.441 242 S N 0.855 116.526 115.700 -0.048 0.000 2.576 242 S HA 0.066 4.536 4.470 0.001 0.000 0.272 242 S C 0.327 174.902 174.600 -0.041 0.000 1.352 242 S CA -0.067 58.100 58.200 -0.054 0.000 1.021 242 S CB 0.410 63.560 63.200 -0.082 0.000 0.887 242 S HN 0.603 nan 8.310 nan 0.000 0.542 243 S N 1.809 117.486 115.700 -0.039 0.000 2.607 243 S HA 0.064 4.535 4.470 0.001 0.000 0.224 243 S C 1.053 175.636 174.600 -0.028 0.000 0.969 243 S CA 0.483 58.666 58.200 -0.029 0.000 0.927 243 S CB -0.632 62.553 63.200 -0.025 0.000 0.772 243 S HN 0.969 nan 8.310 nan 0.000 0.533 244 T N 0.998 115.529 114.554 -0.038 0.000 2.810 244 T HA 0.299 4.649 4.350 0.001 0.000 0.277 244 T C 0.151 174.840 174.700 -0.019 0.000 0.973 244 T CA -0.464 61.616 62.100 -0.034 0.000 0.949 244 T CB 0.781 69.614 68.868 -0.058 0.000 1.075 244 T HN 0.140 nan 8.240 nan 0.000 0.537 245 D N -1.637 118.758 120.400 -0.008 0.000 2.427 245 D HA 0.169 4.810 4.640 0.001 0.000 0.224 245 D C 0.891 177.213 176.300 0.037 0.000 1.157 245 D CA -0.344 53.662 54.000 0.009 0.000 0.828 245 D CB -0.001 40.796 40.800 -0.005 0.000 0.974 245 D HN 0.618 nan 8.370 nan 0.000 0.498 246 K N -0.264 120.162 120.400 0.042 0.000 2.379 246 K HA 0.160 4.480 4.320 0.001 0.000 0.194 246 K C -0.025 176.756 176.600 0.302 0.000 1.031 246 K CA 0.192 56.552 56.287 0.122 0.000 1.037 246 K CB 1.206 33.705 32.500 -0.002 0.000 0.824 246 K HN 0.040 nan 8.250 nan 0.000 0.516 247 V N 2.226 122.262 119.914 0.205 0.000 2.495 247 V HA 0.237 4.357 4.120 0.001 0.000 0.298 247 V C -0.800 175.427 176.094 0.223 0.000 1.031 247 V CA -1.071 61.355 62.300 0.211 0.000 0.871 247 V CB 1.718 33.579 31.823 0.063 0.000 0.988 247 V HN 0.035 nan 8.190 nan 0.000 0.432 248 L N 4.732 126.060 121.223 0.174 0.000 2.257 248 L HA 0.521 4.861 4.340 0.001 0.000 0.290 248 L C -0.156 176.735 176.870 0.035 0.000 1.044 248 L CA 0.322 55.243 54.840 0.135 0.000 0.810 248 L CB 0.707 42.830 42.059 0.106 0.000 1.193 248 L HN 0.665 nan 8.230 nan 0.000 0.425 249 N N 3.843 122.613 118.700 0.116 0.000 2.546 249 N HA 0.448 5.188 4.740 0.001 0.000 0.238 249 N C -1.278 174.393 175.510 0.267 0.000 0.984 249 N CA -0.434 52.712 53.050 0.160 0.000 0.935 249 N CB 1.369 39.978 38.487 0.203 0.000 1.122 249 N HN 0.382 nan 8.380 nan 0.000 0.510 250 V N 1.361 121.305 119.914 0.050 0.000 2.472 250 V HA 0.889 5.010 4.120 0.001 0.000 0.290 250 V C 0.787 176.659 176.094 -0.371 0.000 1.037 250 V CA -0.493 61.806 62.300 -0.002 0.000 0.908 250 V CB 1.246 33.060 31.823 -0.014 0.000 0.985 250 V HN 0.726 nan 8.190 nan 0.000 0.454 251 G N 2.514 110.816 108.800 -0.831 0.000 2.506 251 G HA2 0.504 4.464 3.960 0.001 0.000 0.292 251 G HA3 0.504 4.464 3.960 0.001 0.000 0.292 251 G C -2.118 172.354 174.900 -0.713 0.000 1.425 251 G CA -0.668 43.739 45.100 -1.155 0.000 0.788 251 G HN 0.297 nan 8.290 nan 0.000 0.490 252 Y N 1.238 121.348 120.300 -0.315 0.000 2.316 252 Y HA 0.252 4.802 4.550 0.001 0.000 0.331 252 Y C 2.011 177.994 175.900 0.139 0.000 1.083 252 Y CA -0.163 57.862 58.100 -0.126 0.000 1.206 252 Y CB 1.629 39.953 38.460 -0.227 0.000 1.195 252 Y HN 0.842 nan 8.280 nan 0.000 0.497 253 E N 1.008 121.423 120.200 0.358 0.000 2.265 253 E HA -0.220 4.130 4.350 0.001 0.000 0.196 253 E C 0.567 177.338 176.600 0.285 0.000 0.996 253 E CA 1.458 58.082 56.400 0.373 0.000 0.832 253 E CB -0.113 29.756 29.700 0.281 0.000 0.756 253 E HN 0.710 nan 8.360 nan 0.000 0.491 254 N N 1.183 120.022 118.700 0.232 0.000 2.322 254 N HA -0.064 4.677 4.740 0.001 0.000 0.194 254 N C -0.371 175.375 175.510 0.393 0.000 1.126 254 N CA 0.134 53.350 53.050 0.276 0.000 0.845 254 N CB 0.048 38.660 38.487 0.209 0.000 0.976 254 N HN 0.076 nan 8.380 nan 0.000 0.475 255 D N 2.393 123.013 120.400 0.366 0.000 2.336 255 D HA 0.138 4.778 4.640 0.001 0.000 0.249 255 D C -1.485 174.989 176.300 0.290 0.000 1.213 255 D CA -2.175 52.006 54.000 0.301 0.000 0.870 255 D CB 1.645 42.709 40.800 0.440 0.000 1.076 255 D HN 0.049 nan 8.370 nan 0.000 0.483 256 P HA -0.089 nan 4.420 nan 0.000 0.233 256 P C 1.216 178.504 177.300 -0.019 0.000 1.167 256 P CA 0.237 63.290 63.100 -0.080 0.000 0.770 256 P CB 0.531 31.891 31.700 -0.567 0.000 0.837 257 V N -0.706 119.029 119.914 -0.299 0.000 2.649 257 V HA -0.051 4.070 4.120 0.001 0.000 0.248 257 V C 1.352 177.411 176.094 -0.059 0.000 1.054 257 V CA 0.489 62.544 62.300 -0.408 0.000 1.073 257 V CB -1.155 30.109 31.823 -0.932 0.000 0.699 257 V HN -0.004 nan 8.190 nan 0.000 0.463 258 F N 2.296 122.252 119.950 0.010 0.000 2.502 258 F HA 0.381 4.909 4.527 0.000 0.000 0.371 258 F C 1.224 177.084 175.800 0.100 0.000 1.083 258 F CA -0.803 57.244 58.000 0.079 0.000 1.174 258 F CB -0.496 38.620 39.000 0.193 0.000 1.096 258 F HN 0.140 nan 8.300 nan 0.000 0.545 259 R N 2.492 122.745 120.500 -0.411 0.000 3.878 259 R HA -0.247 4.094 4.340 0.001 0.000 0.330 259 R C 1.262 177.255 176.300 -0.513 0.000 1.186 259 R CA 0.561 56.380 56.100 -0.467 0.000 0.885 259 R CB -2.166 27.794 30.300 -0.567 0.000 1.377 259 R HN 0.716 nan 8.270 nan 0.000 0.523 260 A N 0.615 123.033 122.820 -0.670 0.000 1.948 260 A HA -0.048 4.272 4.320 0.001 0.000 0.220 260 A C 1.108 178.340 177.584 -0.587 0.000 1.177 260 A CA 1.152 52.581 52.037 -1.014 0.000 0.636 260 A CB -0.008 18.683 19.000 -0.516 0.000 0.815 260 A HN 0.286 nan 8.150 nan 0.000 0.449 261 L N -1.223 119.783 121.223 -0.362 0.000 2.334 261 L HA 0.498 4.838 4.340 0.001 0.000 0.270 261 L C -0.857 175.893 176.870 -0.201 0.000 1.018 261 L CA -0.799 53.898 54.840 -0.240 0.000 0.811 261 L CB 1.514 43.475 42.059 -0.164 0.000 1.271 261 L HN 0.145 nan 8.230 nan 0.000 0.443 262 D N -0.046 120.266 120.400 -0.146 0.000 2.469 262 D HA 0.284 4.925 4.640 0.001 0.000 0.251 262 D C 0.943 177.198 176.300 -0.075 0.000 1.173 262 D CA -0.373 53.560 54.000 -0.110 0.000 0.882 262 D CB 1.870 42.611 40.800 -0.097 0.000 1.129 262 D HN 0.573 nan 8.370 nan 0.000 0.549 263 G N 2.214 110.973 108.800 -0.068 0.000 2.499 263 G HA2 -0.210 3.750 3.960 0.001 0.000 0.221 263 G HA3 -0.210 3.750 3.960 0.001 0.000 0.221 263 G C 0.919 175.776 174.900 -0.072 0.000 1.109 263 G CA 1.165 46.220 45.100 -0.075 0.000 0.749 263 G HN 0.574 nan 8.290 nan 0.000 0.568 264 S N -1.235 114.432 115.700 -0.054 0.000 2.952 264 S HA 0.296 4.767 4.470 0.001 0.000 0.251 264 S C 0.176 174.749 174.600 -0.045 0.000 1.021 264 S CA -0.371 57.798 58.200 -0.052 0.000 1.067 264 S CB 0.544 63.726 63.200 -0.031 0.000 1.002 264 S HN 0.010 nan 8.310 nan 0.000 0.574 265 T N 2.933 117.461 114.554 -0.044 0.000 2.817 265 T HA 0.428 4.778 4.350 0.001 0.000 0.293 265 T C -0.679 174.006 174.700 -0.024 0.000 0.964 265 T CA -0.274 61.815 62.100 -0.017 0.000 1.085 265 T CB 0.384 69.245 68.868 -0.011 0.000 0.921 265 T HN 0.387 nan 8.240 nan 0.000 0.502 266 F N 4.284 124.150 119.950 -0.139 0.000 2.467 266 F HA 0.424 4.952 4.527 0.002 0.000 0.362 266 F C 0.912 176.686 175.800 -0.043 0.000 1.090 266 F CA -0.134 57.779 58.000 -0.145 0.000 1.202 266 F CB 0.434 39.294 39.000 -0.232 0.000 1.113 266 F HN 0.628 nan 8.300 nan 0.000 0.541 267 T N 1.477 115.688 114.554 -0.572 0.000 2.888 267 T HA 0.510 4.860 4.350 0.001 0.000 0.288 267 T C 1.020 175.462 174.700 -0.429 0.000 1.063 267 T CA -0.321 61.587 62.100 -0.319 0.000 1.010 267 T CB 1.164 69.930 68.868 -0.169 0.000 1.214 267 T HN 0.591 nan 8.240 nan 0.000 0.533 268 G N 0.306 109.007 108.800 -0.165 0.000 2.440 268 G HA2 -0.012 3.949 3.960 0.001 0.000 0.218 268 G HA3 -0.012 3.949 3.960 0.001 0.000 0.218 268 G C 1.783 176.618 174.900 -0.107 0.000 1.154 268 G CA 1.020 46.063 45.100 -0.095 0.000 0.767 268 G HN 1.250 nan 8.290 nan 0.000 0.552 269 A N 0.818 123.585 122.820 -0.087 0.000 1.997 269 A HA -0.087 4.233 4.320 0.001 0.000 0.221 269 A C 2.657 180.253 177.584 0.019 0.000 1.172 269 A CA 2.307 54.336 52.037 -0.014 0.000 0.645 269 A CB -0.693 18.320 19.000 0.021 0.000 0.813 269 A HN 0.324 nan 8.150 nan 0.000 0.454 270 S N -0.871 114.697 115.700 -0.220 0.000 2.392 270 S HA -0.177 4.293 4.470 0.001 0.000 0.232 270 S C 1.646 176.238 174.600 -0.014 0.000 1.041 270 S CA 1.788 59.807 58.200 -0.301 0.000 1.026 270 S CB -0.550 62.103 63.200 -0.912 0.000 0.845 270 S HN 1.088 nan 8.310 nan 0.000 0.465 271 V N -1.573 118.348 119.914 0.011 0.000 3.444 271 V HA 0.610 4.731 4.120 0.001 0.000 0.308 271 V C 0.707 176.881 176.094 0.134 0.000 1.371 271 V CA 0.349 62.730 62.300 0.135 0.000 1.141 271 V CB -0.174 31.765 31.823 0.193 0.000 1.037 271 V HN 0.306 nan 8.190 nan 0.000 0.433 272 G N -0.083 108.811 108.800 0.158 0.000 3.291 272 G HA2 0.528 4.488 3.960 0.001 0.000 0.173 272 G HA3 0.528 4.488 3.960 0.001 0.000 0.173 272 G C -0.764 174.265 174.900 0.214 0.000 1.099 272 G CA -0.355 44.847 45.100 0.171 0.000 0.794 272 G HN 0.114 nan 8.290 nan 0.000 0.651 273 V N 1.703 121.719 119.914 0.170 0.000 2.488 273 V HA 0.363 4.483 4.120 0.001 0.000 0.277 273 V C -0.583 175.471 176.094 -0.066 0.000 1.046 273 V CA -0.259 62.044 62.300 0.005 0.000 0.986 273 V CB 0.539 32.316 31.823 -0.076 0.000 0.989 273 V HN 0.776 nan 8.190 nan 0.000 0.475 274 H N 0.491 119.621 119.070 0.098 0.000 2.348 274 H HA 0.490 5.047 4.556 0.001 0.000 0.232 274 H C -0.312 175.013 175.328 -0.006 0.000 1.419 274 H CA -0.802 55.254 56.048 0.013 0.000 1.416 274 H CB 0.172 29.917 29.762 -0.029 0.000 1.510 274 H HN 0.493 nan 8.280 nan 0.000 0.507 275 D N 1.371 121.784 120.400 0.022 0.000 2.501 275 D HA 0.270 4.910 4.640 0.001 0.000 0.226 275 D C 0.629 176.949 176.300 0.033 0.000 1.198 275 D CA -0.267 53.749 54.000 0.026 0.000 0.830 275 D CB 0.019 40.814 40.800 -0.007 0.000 1.014 275 D HN 0.695 nan 8.370 nan 0.000 0.496 276 A N 1.064 123.898 122.820 0.024 0.000 2.520 276 A HA 0.370 4.691 4.320 0.001 0.000 0.235 276 A C -2.126 175.468 177.584 0.016 0.000 1.065 276 A CA -0.736 51.311 52.037 0.016 0.000 0.764 276 A CB -0.140 18.863 19.000 0.005 0.000 1.002 276 A HN 0.172 nan 8.150 nan 0.000 0.502 277 P HA 0.234 nan 4.420 nan 0.000 0.268 277 P C -0.761 176.546 177.300 0.011 0.000 1.204 277 P CA 0.349 63.467 63.100 0.030 0.000 0.768 277 P CB 0.400 32.121 31.700 0.034 0.000 0.842 278 K N 2.415 122.823 120.400 0.013 0.000 2.507 278 K HA 0.124 4.444 4.320 0.001 0.000 0.252 278 K C 0.784 177.398 176.600 0.023 0.000 0.943 278 K CA -0.612 55.675 56.287 -0.001 0.000 0.808 278 K CB 1.823 34.299 32.500 -0.041 0.000 1.142 278 K HN 0.290 nan 8.250 nan 0.000 0.426 279 E N 1.302 121.513 120.200 0.019 0.000 2.114 279 E HA -0.220 4.130 4.350 0.001 0.000 0.199 279 E C 1.467 178.098 176.600 0.052 0.000 1.008 279 E CA 2.327 58.744 56.400 0.029 0.000 0.810 279 E CB 0.138 29.848 29.700 0.017 0.000 0.739 279 E HN 0.657 nan 8.360 nan 0.000 0.456 280 S N -0.768 114.963 115.700 0.051 0.000 2.489 280 S HA 0.224 4.695 4.470 0.001 0.000 0.228 280 S C 0.823 175.498 174.600 0.125 0.000 0.995 280 S CA 0.325 58.573 58.200 0.081 0.000 0.934 280 S CB 0.169 63.405 63.200 0.059 0.000 0.771 280 S HN 0.288 nan 8.310 nan 0.000 0.522 281 A N 2.190 125.085 122.820 0.125 0.000 2.312 281 A HA 0.619 4.940 4.320 0.001 0.000 0.328 281 A C 0.382 178.108 177.584 0.237 0.000 1.158 281 A CA -0.378 51.790 52.037 0.219 0.000 0.821 281 A CB 0.574 19.660 19.000 0.144 0.000 1.170 281 A HN 0.502 nan 8.150 nan 0.000 0.490 282 T N -0.065 114.682 114.554 0.322 0.000 2.738 282 T HA 0.227 4.577 4.350 0.001 0.000 0.293 282 T C -0.258 174.634 174.700 0.320 0.000 0.913 282 T CA -0.271 61.983 62.100 0.256 0.000 1.103 282 T CB 0.451 69.460 68.868 0.234 0.000 0.880 282 T HN 0.475 nan 8.240 nan 0.000 0.526 283 D N 2.544 123.074 120.400 0.217 0.000 2.305 283 D HA 0.006 4.647 4.640 0.001 0.000 0.206 283 D C 0.693 177.126 176.300 0.221 0.000 0.974 283 D CA 0.525 54.656 54.000 0.218 0.000 0.871 283 D CB 0.221 41.106 40.800 0.142 0.000 0.947 283 D HN 0.604 nan 8.370 nan 0.000 0.516 284 N N 0.341 119.136 118.700 0.158 0.000 2.517 284 N HA 0.177 4.917 4.740 0.001 0.000 0.285 284 N C -0.455 175.075 175.510 0.034 0.000 1.528 284 N CA -0.076 53.024 53.050 0.083 0.000 0.892 284 N CB 1.596 40.087 38.487 0.007 0.000 1.356 284 N HN 0.134 nan 8.380 nan 0.000 0.495 285 I N 1.108 121.749 120.570 0.117 0.000 2.312 285 I HA 0.300 4.471 4.170 0.001 0.000 0.290 285 I C -0.021 176.217 176.117 0.201 0.000 1.008 285 I CA -0.816 60.563 61.300 0.132 0.000 1.226 285 I CB 1.617 39.687 38.000 0.116 0.000 1.371 285 I HN -0.336 nan 8.210 nan 0.000 0.468 286 V N 5.060 125.039 119.914 0.108 0.000 2.427 286 V HA 0.195 4.316 4.120 0.001 0.000 0.286 286 V C 0.390 176.354 176.094 -0.217 0.000 1.034 286 V CA -0.406 61.842 62.300 -0.087 0.000 0.893 286 V CB 1.824 33.540 31.823 -0.179 0.000 0.982 286 V HN 0.787 nan 8.190 nan 0.000 0.452 287 S N 5.402 120.737 115.700 -0.607 0.000 2.409 287 S HA 0.343 4.813 4.470 0.001 0.000 0.308 287 S C -0.437 173.878 174.600 -0.475 0.000 1.080 287 S CA -0.481 57.215 58.200 -0.839 0.000 1.081 287 S CB -0.406 61.911 63.200 -1.471 0.000 1.009 287 S HN 0.535 nan 8.310 nan 0.000 0.502 288 F N 7.228 126.977 119.950 -0.335 0.000 2.619 288 F HA 0.274 4.801 4.527 0.001 0.000 0.350 288 F C 0.501 176.304 175.800 0.005 0.000 1.259 288 F CA -0.556 57.361 58.000 -0.138 0.000 1.204 288 F CB -0.210 38.796 39.000 0.011 0.000 1.556 288 F HN 0.697 nan 8.300 nan 0.000 0.650 289 N N 1.042 119.718 118.700 -0.039 0.000 2.563 289 N HA 0.226 4.966 4.740 0.001 0.000 0.288 289 N C 0.327 175.903 175.510 0.110 0.000 1.246 289 N CA -0.722 52.376 53.050 0.081 0.000 0.946 289 N CB 0.359 38.791 38.487 -0.092 0.000 1.213 289 N HN 0.110 nan 8.380 nan 0.000 0.578 290 D N -1.772 118.785 120.400 0.261 0.000 2.219 290 D HA -0.161 4.479 4.640 0.001 0.000 0.205 290 D C 1.292 177.744 176.300 0.253 0.000 0.970 290 D CA 1.118 55.286 54.000 0.280 0.000 0.851 290 D CB -0.321 40.725 40.800 0.411 0.000 0.943 290 D HN 0.613 nan 8.370 nan 0.000 0.488 291 H N -0.468 118.626 119.070 0.040 0.000 2.276 291 H HA -0.173 4.384 4.556 0.001 0.000 0.301 291 H C 1.930 177.293 175.328 0.059 0.000 1.073 291 H CA 1.308 57.342 56.048 -0.023 0.000 1.311 291 H CB -0.514 29.069 29.762 -0.298 0.000 1.379 291 H HN 0.176 nan 8.280 nan 0.000 0.494 292 Y N 1.144 121.446 120.300 0.003 0.000 2.193 292 Y HA -0.257 4.293 4.550 0.001 0.000 0.285 292 Y C 2.635 178.343 175.900 -0.319 0.000 1.166 292 Y CA 2.126 60.140 58.100 -0.144 0.000 1.181 292 Y CB -0.516 37.774 38.460 -0.283 0.000 0.976 292 Y HN 0.321 nan 8.280 nan 0.000 0.520 293 A N -1.177 121.458 122.820 -0.309 0.000 2.067 293 A HA 0.046 4.366 4.320 0.001 0.000 0.217 293 A C 1.442 178.991 177.584 -0.058 0.000 1.156 293 A CA 0.695 52.550 52.037 -0.303 0.000 0.683 293 A CB -0.668 18.250 19.000 -0.137 0.000 0.808 293 A HN 0.296 nan 8.150 nan 0.000 0.455 294 S N -0.230 115.474 115.700 0.007 0.000 2.505 294 S HA 0.269 4.739 4.470 0.001 0.000 0.276 294 S C 1.248 175.865 174.600 0.028 0.000 1.274 294 S CA 0.167 58.428 58.200 0.101 0.000 1.053 294 S CB 0.590 63.990 63.200 0.333 0.000 0.919 294 S HN 0.433 nan 8.310 nan 0.000 0.490 295 T N 5.390 119.959 114.554 0.025 0.000 2.701 295 T HA -0.041 4.309 4.350 0.001 0.000 0.263 295 T C 2.182 176.881 174.700 -0.001 0.000 1.040 295 T CA 1.365 63.467 62.100 0.004 0.000 1.147 295 T CB -0.638 68.236 68.868 0.010 0.000 0.865 295 T HN 0.790 nan 8.240 nan 0.000 0.426 296 A N 0.803 123.606 122.820 -0.028 0.000 1.869 296 A HA -0.192 4.129 4.320 0.001 0.000 0.218 296 A C 2.112 179.652 177.584 -0.073 0.000 1.203 296 A CA 1.871 53.848 52.037 -0.100 0.000 0.638 296 A CB -1.410 17.463 19.000 -0.212 0.000 0.831 296 A HN 0.706 nan 8.150 nan 0.000 0.450 297 W N -0.254 121.014 121.300 -0.053 0.000 2.342 297 W HA -0.138 4.522 4.660 0.001 0.000 0.297 297 W C 1.709 178.183 176.519 -0.075 0.000 1.213 297 W CA 1.290 58.587 57.345 -0.080 0.000 1.251 297 W CB -0.234 29.058 29.460 -0.280 0.000 1.136 297 W HN 0.421 nan 8.180 nan 0.000 0.526 298 N N -0.125 118.650 118.700 0.126 0.000 2.383 298 N HA 0.051 4.791 4.740 0.001 0.000 0.192 298 N C 1.266 176.831 175.510 0.092 0.000 1.141 298 N CA 0.226 53.335 53.050 0.099 0.000 0.851 298 N CB -0.171 38.322 38.487 0.010 0.000 0.976 298 N HN 0.095 nan 8.380 nan 0.000 0.465 299 L N 0.089 121.359 121.223 0.078 0.000 2.465 299 L HA 0.042 4.383 4.340 0.001 0.000 0.224 299 L C 0.262 177.190 176.870 0.098 0.000 1.145 299 L CA 0.537 55.415 54.840 0.063 0.000 0.834 299 L CB -0.168 41.907 42.059 0.026 0.000 0.944 299 L HN 0.198 nan 8.230 nan 0.000 0.451 300 L N 0.709 122.026 121.223 0.157 0.000 2.343 300 L HA 0.341 4.681 4.340 0.001 0.000 0.275 300 L C -1.945 175.050 176.870 0.207 0.000 1.056 300 L CA -2.045 52.909 54.840 0.190 0.000 0.804 300 L CB 0.782 43.003 42.059 0.270 0.000 1.203 300 L HN -0.182 nan 8.230 nan 0.000 0.440 301 P HA -0.028 nan 4.420 nan 0.000 0.271 301 P C -0.671 176.770 177.300 0.235 0.000 1.220 301 P CA -0.140 63.072 63.100 0.187 0.000 0.768 301 P CB 0.383 32.169 31.700 0.143 0.000 0.848 302 F N 3.134 123.153 119.950 0.116 0.000 2.541 302 F HA 0.280 4.808 4.527 0.002 0.000 0.378 302 F C 0.479 176.331 175.800 0.086 0.000 1.068 302 F CA 1.232 59.297 58.000 0.109 0.000 1.199 302 F CB 0.291 39.333 39.000 0.070 0.000 1.091 302 F HN 0.335 nan 8.300 nan 0.000 0.555 303 S N 6.105 121.586 115.700 -0.364 0.000 2.556 303 S HA 0.217 4.687 4.470 0.001 0.000 0.280 303 S C 0.385 174.867 174.600 -0.195 0.000 1.141 303 S CA -0.842 57.247 58.200 -0.186 0.000 0.883 303 S CB 0.761 63.976 63.200 0.025 0.000 1.103 303 S HN 0.830 nan 8.310 nan 0.000 0.453 304 I N 4.119 124.646 120.570 -0.072 0.000 2.530 304 I HA -0.087 4.083 4.170 0.001 0.000 0.257 304 I C 1.252 177.564 176.117 0.325 0.000 1.179 304 I CA 1.367 62.719 61.300 0.086 0.000 1.440 304 I CB -0.017 38.030 38.000 0.078 0.000 1.087 304 I HN 0.753 nan 8.210 nan 0.000 0.440 305 L N -0.120 121.214 121.223 0.185 0.000 2.478 305 L HA -0.046 4.294 4.340 0.001 0.000 0.223 305 L C 1.037 177.981 176.870 0.122 0.000 1.140 305 L CA 0.430 55.365 54.840 0.159 0.000 0.842 305 L CB -0.711 41.428 42.059 0.132 0.000 0.953 305 L HN 0.308 nan 8.230 nan 0.000 0.452 306 N N 0.869 119.643 118.700 0.124 0.000 2.609 306 N HA 0.111 4.851 4.740 0.001 0.000 0.234 306 N C 1.136 176.727 175.510 0.135 0.000 1.001 306 N CA -0.395 52.724 53.050 0.115 0.000 0.926 306 N CB 0.771 39.325 38.487 0.112 0.000 1.130 306 N HN -0.033 nan 8.380 nan 0.000 0.510 307 I N 4.197 124.808 120.570 0.068 0.000 2.194 307 I HA -0.139 4.032 4.170 0.001 0.000 0.246 307 I C -0.708 175.447 176.117 0.064 0.000 1.093 307 I CA 0.955 62.226 61.300 -0.049 0.000 1.355 307 I CB -2.352 35.541 38.000 -0.179 0.000 1.046 307 I HN 0.522 nan 8.210 nan 0.000 0.413 308 P HA -0.175 nan 4.420 nan 0.000 0.217 308 P C 1.737 178.949 177.300 -0.148 0.000 1.148 308 P CA 2.219 65.340 63.100 0.036 0.000 0.834 308 P CB -0.333 31.261 31.700 -0.177 0.000 0.783 309 T N -5.739 108.680 114.554 -0.225 0.000 3.025 309 T HA -0.170 4.181 4.350 0.001 0.000 0.270 309 T C 1.268 175.834 174.700 -0.223 0.000 1.126 309 T CA 0.569 62.388 62.100 -0.469 0.000 1.105 309 T CB -1.150 67.499 68.868 -0.365 0.000 0.884 309 T HN 0.080 nan 8.240 nan 0.000 0.522 310 W N 0.924 122.064 121.300 -0.265 0.000 2.825 310 W HA 0.391 5.051 4.660 0.001 0.000 0.243 310 W C 1.934 178.324 176.519 -0.215 0.000 1.293 310 W CA -1.298 55.949 57.345 -0.164 0.000 1.403 310 W CB -0.670 28.725 29.460 -0.108 0.000 1.134 310 W HN 0.301 nan 8.180 nan 0.000 0.666 311 I N 0.306 120.755 120.570 -0.202 0.000 2.185 311 I HA -0.400 3.771 4.170 0.001 0.000 0.246 311 I C 1.884 177.802 176.117 -0.331 0.000 1.088 311 I CA 1.811 62.837 61.300 -0.456 0.000 1.347 311 I CB -0.166 37.308 38.000 -0.877 0.000 1.041 311 I HN -0.240 nan 8.210 nan 0.000 0.415 312 S N -0.829 114.727 115.700 -0.240 0.000 2.555 312 S HA -0.190 4.280 4.470 0.001 0.000 0.230 312 S C 1.585 176.254 174.600 0.115 0.000 0.978 312 S CA 0.896 59.005 58.200 -0.153 0.000 0.934 312 S CB -0.469 62.665 63.200 -0.111 0.000 0.766 312 S HN 0.646 nan 8.310 nan 0.000 0.533 313 H N 0.915 120.003 119.070 0.029 0.000 2.547 313 H HA 0.336 4.893 4.556 0.001 0.000 0.272 313 H C 0.346 175.857 175.328 0.305 0.000 0.971 313 H CA -0.012 56.156 56.048 0.200 0.000 1.245 313 H CB -0.073 29.653 29.762 -0.060 0.000 1.440 313 H HN 0.224 nan 8.280 nan 0.000 0.540 314 L N 2.837 124.075 121.223 0.025 0.000 2.490 314 L HA 0.073 4.413 4.340 0.001 0.000 0.274 314 L C -1.117 175.670 176.870 -0.137 0.000 1.201 314 L CA -1.205 53.526 54.840 -0.182 0.000 0.869 314 L CB 0.697 42.555 42.059 -0.336 0.000 1.123 314 L HN 0.242 nan 8.230 nan 0.000 0.484 315 P HA -0.075 nan 4.420 nan 0.000 0.222 315 P C 1.392 178.587 177.300 -0.175 0.000 1.153 315 P CA 0.897 63.691 63.100 -0.511 0.000 0.798 315 P CB 0.200 31.378 31.700 -0.870 0.000 0.796 316 T N 0.167 114.642 114.554 -0.132 0.000 2.746 316 T HA -0.068 4.283 4.350 0.001 0.000 0.267 316 T C 1.968 176.682 174.700 0.025 0.000 1.039 316 T CA 1.697 63.773 62.100 -0.040 0.000 1.142 316 T CB -0.678 68.189 68.868 -0.002 0.000 0.866 316 T HN 0.077 nan 8.240 nan 0.000 0.444 317 A N -0.192 122.652 122.820 0.040 0.000 2.015 317 A HA -0.010 4.311 4.320 0.001 0.000 0.219 317 A C 1.941 179.630 177.584 0.175 0.000 1.163 317 A CA 1.052 53.133 52.037 0.073 0.000 0.646 317 A CB -0.839 18.144 19.000 -0.029 0.000 0.806 317 A HN 0.554 nan 8.150 nan 0.000 0.448 318 Y N 0.113 120.474 120.300 0.102 0.000 2.097 318 Y HA -0.161 4.390 4.550 0.001 0.000 0.282 318 Y C 2.788 178.648 175.900 -0.066 0.000 1.152 318 Y CA 1.634 59.732 58.100 -0.003 0.000 1.136 318 Y CB -0.682 37.673 38.460 -0.175 0.000 0.975 318 Y HN 0.346 nan 8.280 nan 0.000 0.498 319 G N -1.092 107.733 108.800 0.041 0.000 2.402 319 G HA2 -0.305 3.655 3.960 0.001 0.000 0.216 319 G HA3 -0.305 3.655 3.960 0.001 0.000 0.216 319 G C 1.177 176.104 174.900 0.045 0.000 1.162 319 G CA 1.318 46.403 45.100 -0.025 0.000 0.777 319 G HN 0.450 nan 8.290 nan 0.000 0.539 320 D N -0.237 120.203 120.400 0.067 0.000 2.110 320 D HA 0.048 4.689 4.640 0.001 0.000 0.202 320 D C 2.625 178.994 176.300 0.115 0.000 0.975 320 D CA 1.419 55.469 54.000 0.083 0.000 0.839 320 D CB -0.461 40.389 40.800 0.082 0.000 0.996 320 D HN 0.176 nan 8.370 nan 0.000 0.464 321 G N 0.228 109.118 108.800 0.149 0.000 2.421 321 G HA2 -0.237 3.723 3.960 0.001 0.000 0.216 321 G HA3 -0.237 3.723 3.960 0.001 0.000 0.216 321 G C 1.636 176.654 174.900 0.196 0.000 1.171 321 G CA 0.774 45.990 45.100 0.194 0.000 0.775 321 G HN 0.238 nan 8.290 nan 0.000 0.543 322 M N 0.302 120.013 119.600 0.185 0.000 2.175 322 M HA -0.020 4.460 4.480 0.001 0.000 0.264 322 M C 2.400 178.849 176.300 0.248 0.000 1.063 322 M CA 1.298 56.741 55.300 0.239 0.000 1.119 322 M CB -0.475 32.310 32.600 0.309 0.000 1.377 322 M HN 0.251 nan 8.290 nan 0.000 0.415 323 N N 1.062 119.884 118.700 0.204 0.000 2.060 323 N HA -0.188 4.553 4.740 0.001 0.000 0.195 323 N C 1.602 177.176 175.510 0.107 0.000 1.028 323 N CA 1.754 54.895 53.050 0.151 0.000 0.861 323 N CB -0.065 38.483 38.487 0.102 0.000 1.029 323 N HN 0.231 nan 8.380 nan 0.000 0.428 324 R N -0.325 120.242 120.500 0.111 0.000 2.152 324 R HA 0.008 4.348 4.340 0.001 0.000 0.232 324 R C 2.108 178.472 176.300 0.107 0.000 1.117 324 R CA 0.946 57.104 56.100 0.098 0.000 0.981 324 R CB -0.238 30.125 30.300 0.105 0.000 0.870 324 R HN 0.405 nan 8.270 nan 0.000 0.451 325 I N 0.444 121.095 120.570 0.135 0.000 2.252 325 I HA -0.263 3.908 4.170 0.001 0.000 0.245 325 I C 2.148 178.326 176.117 0.101 0.000 1.102 325 I CA 0.924 62.307 61.300 0.138 0.000 1.385 325 I CB -0.172 37.917 38.000 0.149 0.000 1.064 325 I HN 0.109 nan 8.210 nan 0.000 0.414 326 I N 0.995 121.565 120.570 0.001 0.000 2.163 326 I HA -0.275 3.895 4.170 0.001 0.000 0.243 326 I C 2.267 178.264 176.117 -0.200 0.000 1.085 326 I CA 1.832 62.980 61.300 -0.254 0.000 1.347 326 I CB -1.028 36.902 38.000 -0.117 0.000 1.044 326 I HN 0.345 nan 8.210 nan 0.000 0.408 327 E N 0.229 120.397 120.200 -0.053 0.000 2.472 327 E HA -0.083 4.267 4.350 0.001 0.000 0.200 327 E C 1.022 177.617 176.600 -0.007 0.000 1.046 327 E CA 0.023 56.406 56.400 -0.028 0.000 0.871 327 E CB 0.003 29.705 29.700 0.004 0.000 0.806 327 E HN 0.228 nan 8.360 nan 0.000 0.533 328 S N 0.821 116.539 115.700 0.031 0.000 2.564 328 S HA 0.020 4.490 4.470 0.001 0.000 0.278 328 S C 1.146 175.758 174.600 0.021 0.000 1.333 328 S CA -0.552 57.677 58.200 0.050 0.000 1.048 328 S CB 0.789 64.070 63.200 0.135 0.000 0.900 328 S HN -0.023 nan 8.310 nan 0.000 0.505 329 K N 3.277 123.610 120.400 -0.112 0.000 2.280 329 K HA -0.062 4.259 4.320 0.001 0.000 0.202 329 K C 0.666 177.206 176.600 -0.100 0.000 1.047 329 K CA 1.189 57.373 56.287 -0.171 0.000 0.942 329 K CB -0.282 32.019 32.500 -0.331 0.000 0.739 329 K HN 0.696 nan 8.250 nan 0.000 0.457 330 F N -0.727 119.276 119.950 0.087 0.000 2.765 330 F HA 0.040 4.568 4.527 0.001 0.000 0.302 330 F C 1.937 177.671 175.800 -0.110 0.000 1.111 330 F CA -0.902 57.118 58.000 0.033 0.000 1.359 330 F CB -0.759 38.341 39.000 0.166 0.000 1.097 330 F HN 0.018 nan 8.300 nan 0.000 0.577 331 Y N 2.310 122.607 120.300 -0.005 0.000 2.114 331 Y HA -0.325 4.226 4.550 0.001 0.000 0.282 331 Y C 1.994 177.804 175.900 -0.150 0.000 1.165 331 Y CA 2.315 60.339 58.100 -0.126 0.000 1.148 331 Y CB -0.481 37.922 38.460 -0.094 0.000 0.972 331 Y HN 0.207 nan 8.280 nan 0.000 0.504 332 D N -0.424 119.937 120.400 -0.065 0.000 2.371 332 D HA -0.139 4.502 4.640 0.001 0.000 0.221 332 D C 1.631 177.837 176.300 -0.158 0.000 0.986 332 D CA 1.049 54.975 54.000 -0.124 0.000 0.899 332 D CB -0.847 39.978 40.800 0.042 0.000 0.902 332 D HN 0.491 nan 8.370 nan 0.000 0.530 333 L N 0.308 121.428 121.223 -0.171 0.000 2.313 333 L HA 0.078 4.418 4.340 0.001 0.000 0.214 333 L C 1.249 177.949 176.870 -0.283 0.000 1.119 333 L CA 0.646 55.401 54.840 -0.142 0.000 0.809 333 L CB -0.833 41.179 42.059 -0.078 0.000 0.933 333 L HN 0.126 nan 8.230 nan 0.000 0.449 334 T N -1.819 112.383 114.554 -0.587 0.000 2.899 334 T HA 0.512 4.863 4.350 0.001 0.000 0.284 334 T C 0.169 174.598 174.700 -0.453 0.000 1.004 334 T CA -0.473 61.202 62.100 -0.709 0.000 1.043 334 T CB 1.876 70.149 68.868 -0.992 0.000 1.013 334 T HN 0.216 nan 8.240 nan 0.000 0.518 335 S N 0.269 115.778 115.700 -0.318 0.000 2.720 335 S HA 0.454 4.924 4.470 0.001 0.000 0.287 335 S C 0.869 175.365 174.600 -0.174 0.000 1.168 335 S CA -1.136 56.938 58.200 -0.210 0.000 0.832 335 S CB 1.673 64.817 63.200 -0.094 0.000 1.166 335 S HN 0.816 nan 8.310 nan 0.000 0.493 336 K N 0.061 120.408 120.400 -0.088 0.000 2.113 336 K HA -0.145 4.176 4.320 0.001 0.000 0.208 336 K C 0.063 176.658 176.600 -0.008 0.000 1.047 336 K CA 2.082 58.350 56.287 -0.031 0.000 0.928 336 K CB -0.234 32.289 32.500 0.038 0.000 0.716 336 K HN 0.578 nan 8.250 nan 0.000 0.446 337 D N 0.155 120.556 120.400 0.002 0.000 2.424 337 D HA 0.084 4.724 4.640 0.001 0.000 0.220 337 D C -0.628 175.690 176.300 0.030 0.000 1.150 337 D CA 0.062 54.083 54.000 0.035 0.000 0.831 337 D CB 0.703 41.536 40.800 0.055 0.000 0.981 337 D HN -0.010 nan 8.370 nan 0.000 0.500 338 S N 0.689 116.384 115.700 -0.008 0.000 2.552 338 S HA 0.046 4.517 4.470 0.001 0.000 0.289 338 S C 0.597 175.229 174.600 0.054 0.000 1.304 338 S CA 0.192 58.419 58.200 0.046 0.000 1.063 338 S CB 0.619 63.771 63.200 -0.081 0.000 0.848 338 S HN 0.110 nan 8.310 nan 0.000 0.499 339 T N 4.847 119.460 114.554 0.097 0.000 2.769 339 T HA 0.314 4.665 4.350 0.001 0.000 0.293 339 T C 0.107 174.881 174.700 0.124 0.000 0.931 339 T CA 0.194 62.277 62.100 -0.028 0.000 1.139 339 T CB -0.530 68.261 68.868 -0.129 0.000 0.881 339 T HN 0.387 nan 8.240 nan 0.000 0.532 340 I N 4.549 125.157 120.570 0.062 0.000 2.499 340 I HA 0.393 4.563 4.170 0.001 0.000 0.288 340 I C -0.593 175.593 176.117 0.114 0.000 1.048 340 I CA -1.049 60.335 61.300 0.140 0.000 1.062 340 I CB 1.933 39.973 38.000 0.067 0.000 1.238 340 I HN 0.356 nan 8.210 nan 0.000 0.426 341 I N 6.841 127.500 120.570 0.148 0.000 2.330 341 I HA 0.354 4.525 4.170 0.001 0.000 0.289 341 I C -0.119 176.084 176.117 0.142 0.000 1.001 341 I CA -0.771 60.609 61.300 0.134 0.000 1.193 341 I CB 1.446 39.532 38.000 0.143 0.000 1.345 341 I HN 0.145 nan 8.210 nan 0.000 0.461 342 V N 5.717 125.709 119.914 0.131 0.000 2.347 342 V HA 0.438 4.558 4.120 0.001 0.000 0.280 342 V C 0.824 176.991 176.094 0.121 0.000 1.021 342 V CA -0.867 61.517 62.300 0.139 0.000 0.847 342 V CB 1.475 33.413 31.823 0.191 0.000 0.990 342 V HN 0.862 nan 8.190 nan 0.000 0.444 343 A N 4.544 127.432 122.820 0.112 0.000 2.505 343 A HA 0.297 4.617 4.320 0.001 0.000 0.271 343 A C 0.636 178.298 177.584 0.129 0.000 1.112 343 A CA 0.163 52.266 52.037 0.110 0.000 0.781 343 A CB -0.405 18.627 19.000 0.054 0.000 1.059 343 A HN 0.799 nan 8.150 nan 0.000 0.508 344 N N 2.408 121.212 118.700 0.173 0.000 2.517 344 N HA 0.214 4.955 4.740 0.001 0.000 0.285 344 N C -0.627 175.047 175.510 0.274 0.000 1.528 344 N CA -0.040 53.105 53.050 0.158 0.000 0.892 344 N CB 0.367 38.871 38.487 0.028 0.000 1.356 344 N HN 0.625 nan 8.380 nan 0.000 0.495 345 L N 0.798 122.175 121.223 0.257 0.000 2.453 345 L HA 0.289 4.630 4.340 0.001 0.000 0.261 345 L C 1.296 178.206 176.870 0.067 0.000 1.179 345 L CA -0.346 54.634 54.840 0.233 0.000 0.813 345 L CB 0.548 42.723 42.059 0.193 0.000 1.110 345 L HN 0.128 nan 8.230 nan 0.000 0.466 346 S N -0.482 115.094 115.700 -0.207 0.000 2.608 346 S HA 0.050 4.521 4.470 0.001 0.000 0.261 346 S C 0.540 175.028 174.600 -0.188 0.000 1.314 346 S CA -0.715 57.205 58.200 -0.466 0.000 0.992 346 S CB 0.812 63.600 63.200 -0.687 0.000 0.935 346 S HN 0.589 nan 8.310 nan 0.000 0.564 347 D N 2.170 122.469 120.400 -0.169 0.000 2.106 347 D HA -0.059 4.582 4.640 0.001 0.000 0.191 347 D C -0.578 175.654 176.300 -0.114 0.000 0.997 347 D CA 1.604 55.537 54.000 -0.111 0.000 0.834 347 D CB -1.833 38.908 40.800 -0.098 0.000 0.956 347 D HN 0.524 nan 8.370 nan 0.000 0.448 348 P HA 0.003 nan 4.420 nan 0.000 0.217 348 P C 1.154 178.418 177.300 -0.061 0.000 1.151 348 P CA 1.566 64.604 63.100 -0.102 0.000 0.828 348 P CB -0.044 31.589 31.700 -0.112 0.000 0.788 349 A N 0.312 123.104 122.820 -0.047 0.000 1.930 349 A HA -0.165 4.155 4.320 0.001 0.000 0.217 349 A C 2.480 180.066 177.584 0.003 0.000 1.175 349 A CA 1.320 53.365 52.037 0.014 0.000 0.627 349 A CB -1.225 17.818 19.000 0.071 0.000 0.815 349 A HN 0.022 nan 8.150 nan 0.000 0.443 350 R N -0.220 120.264 120.500 -0.027 0.000 2.105 350 R HA -0.146 4.195 4.340 0.001 0.000 0.239 350 R C 2.158 178.388 176.300 -0.118 0.000 1.135 350 R CA 1.381 57.448 56.100 -0.056 0.000 0.967 350 R CB -0.395 29.872 30.300 -0.055 0.000 0.861 350 R HN 0.443 nan 8.270 nan 0.000 0.442 351 A N 1.163 123.922 122.820 -0.102 0.000 2.076 351 A HA -0.176 4.145 4.320 0.001 0.000 0.220 351 A C 0.992 178.492 177.584 -0.140 0.000 1.160 351 A CA 1.772 53.738 52.037 -0.118 0.000 0.653 351 A CB -0.277 18.674 19.000 -0.083 0.000 0.801 351 A HN 0.741 nan 8.150 nan 0.000 0.455 352 N N -3.132 115.496 118.700 -0.120 0.000 2.110 352 N HA 0.081 4.822 4.740 0.001 0.000 0.230 352 N C -0.728 174.743 175.510 -0.064 0.000 1.353 352 N CA 0.284 53.276 53.050 -0.095 0.000 0.807 352 N CB -0.250 38.226 38.487 -0.018 0.000 1.244 352 N HN -0.036 nan 8.380 nan 0.000 0.504 353 T N 0.628 115.124 114.554 -0.096 0.000 2.812 353 T HA 0.333 4.683 4.350 0.001 0.000 0.282 353 T C -1.096 173.564 174.700 -0.067 0.000 0.990 353 T CA -0.323 61.807 62.100 0.049 0.000 0.960 353 T CB 0.896 69.883 68.868 0.200 0.000 0.948 353 T HN 0.127 nan 8.240 nan 0.000 0.438 354 W N 2.660 123.990 121.300 0.050 0.000 2.345 354 W HA 0.451 5.111 4.660 0.001 0.000 0.308 354 W C -0.075 176.299 176.519 -0.242 0.000 1.273 354 W CA -0.668 56.645 57.345 -0.054 0.000 1.243 354 W CB 0.454 29.906 29.460 -0.015 0.000 1.260 354 W HN 0.327 nan 8.180 nan 0.000 0.509 355 V N 5.469 125.223 119.914 -0.266 0.000 2.470 355 V HA 0.220 4.340 4.120 0.001 0.000 0.276 355 V C 0.217 176.045 176.094 -0.444 0.000 1.040 355 V CA -0.270 61.503 62.300 -0.878 0.000 1.008 355 V CB 0.171 31.668 31.823 -0.545 0.000 0.990 355 V HN 0.613 nan 8.190 nan 0.000 0.477 356 Q N 2.566 122.060 119.800 -0.510 0.000 2.578 356 Q HA 0.382 4.722 4.340 0.001 0.000 0.284 356 Q C -1.413 174.743 176.000 0.260 0.000 0.960 356 Q CA -0.965 54.843 55.803 0.009 0.000 0.809 356 Q CB 1.817 30.625 28.738 0.117 0.000 1.462 356 Q HN 0.457 nan 8.270 nan 0.000 0.392 357 D N 1.694 122.250 120.400 0.261 0.000 2.470 357 D HA 0.190 4.831 4.640 0.001 0.000 0.226 357 D C 0.498 177.011 176.300 0.354 0.000 1.196 357 D CA -0.101 54.116 54.000 0.361 0.000 0.979 357 D CB 0.219 41.199 40.800 0.299 0.000 1.059 357 D HN 0.619 nan 8.370 nan 0.000 0.515 358 L N 2.965 124.460 121.223 0.454 0.000 2.275 358 L HA -0.030 4.310 4.340 0.001 0.000 0.215 358 L C 1.329 178.288 176.870 0.148 0.000 1.119 358 L CA 0.326 55.305 54.840 0.233 0.000 0.790 358 L CB -0.697 41.398 42.059 0.061 0.000 0.919 358 L HN 0.559 nan 8.230 nan 0.000 0.443 359 N N -0.010 118.843 118.700 0.255 0.000 2.741 359 N HA -0.224 4.516 4.740 0.001 0.000 0.250 359 N C 0.347 175.839 175.510 -0.031 0.000 1.115 359 N CA 0.125 53.187 53.050 0.021 0.000 0.724 359 N CB -0.427 37.987 38.487 -0.120 0.000 1.090 359 N HN 0.257 nan 8.380 nan 0.000 0.558 360 R N 1.066 121.566 120.500 -0.000 0.000 2.537 360 R HA 0.052 4.393 4.340 0.001 0.000 0.280 360 R C 0.095 176.332 176.300 -0.106 0.000 1.058 360 R CA 0.039 56.052 56.100 -0.144 0.000 1.057 360 R CB 0.282 30.300 30.300 -0.469 0.000 0.973 360 R HN 0.297 nan 8.270 nan 0.000 0.438 361 N N 0.408 119.003 118.700 -0.175 0.000 2.696 361 N HA -0.239 4.501 4.740 0.001 0.000 0.256 361 N C -1.475 173.836 175.510 -0.331 0.000 1.031 361 N CA 1.414 54.272 53.050 -0.320 0.000 0.730 361 N CB -0.711 37.400 38.487 -0.626 0.000 0.894 361 N HN 0.698 nan 8.380 nan 0.000 0.544 362 A N -0.468 122.239 122.820 -0.188 0.000 2.599 362 A HA 0.493 4.813 4.320 0.001 0.000 0.294 362 A C -0.313 177.201 177.584 -0.116 0.000 1.055 362 A CA -0.863 51.098 52.037 -0.127 0.000 0.683 362 A CB 1.169 20.142 19.000 -0.045 0.000 1.278 362 A HN 0.144 nan 8.150 nan 0.000 0.412 363 E N 0.559 120.725 120.200 -0.057 0.000 2.425 363 E HA 0.257 4.607 4.350 0.001 0.000 0.258 363 E C -0.249 176.298 176.600 -0.089 0.000 1.151 363 E CA 0.097 56.473 56.400 -0.040 0.000 0.958 363 E CB 0.334 30.041 29.700 0.012 0.000 0.968 363 E HN 0.551 nan 8.360 nan 0.000 0.451 364 T N 1.867 116.389 114.554 -0.053 0.000 2.853 364 T HA 0.022 4.373 4.350 0.001 0.000 0.298 364 T C -0.173 174.541 174.700 0.024 0.000 0.978 364 T CA 0.133 62.195 62.100 -0.064 0.000 1.152 364 T CB -0.122 68.739 68.868 -0.012 0.000 0.914 364 T HN 0.272 nan 8.240 nan 0.000 0.539 365 H N 2.794 121.901 119.070 0.063 0.000 2.764 365 H HA 0.279 4.836 4.556 0.001 0.000 0.341 365 H C 0.563 175.930 175.328 0.066 0.000 1.072 365 H CA -0.517 55.575 56.048 0.074 0.000 1.444 365 H CB 0.687 30.504 29.762 0.091 0.000 1.458 365 H HN 0.264 nan 8.280 nan 0.000 0.572 366 K N 1.722 122.241 120.400 0.198 0.000 2.395 366 K HA 0.502 4.823 4.320 0.001 0.000 0.245 366 K C 0.461 177.130 176.600 0.115 0.000 1.017 366 K CA -0.310 56.055 56.287 0.129 0.000 0.852 366 K CB 2.350 34.909 32.500 0.099 0.000 1.311 366 K HN 0.918 nan 8.250 nan 0.000 0.452 367 G N 0.710 109.567 108.800 0.096 0.000 2.698 367 G HA2 -0.246 3.714 3.960 0.001 0.000 0.233 367 G HA3 -0.246 3.714 3.960 0.001 0.000 0.233 367 G C -0.460 174.482 174.900 0.069 0.000 1.352 367 G CA -0.381 44.775 45.100 0.093 0.000 0.879 367 G HN 0.496 nan 8.290 nan 0.000 0.567 368 S N -0.544 115.191 115.700 0.060 0.000 2.600 368 S HA 0.647 5.117 4.470 0.001 0.000 0.265 368 S C 0.399 174.927 174.600 -0.120 0.000 1.325 368 S CA 0.527 58.697 58.200 -0.050 0.000 1.002 368 S CB 1.356 64.550 63.200 -0.011 0.000 0.921 368 S HN 0.950 nan 8.310 nan 0.000 0.554 369 T N 2.177 116.585 114.554 -0.243 0.000 2.824 369 T HA 0.528 4.879 4.350 0.001 0.000 0.282 369 T C -0.986 173.532 174.700 -0.303 0.000 0.993 369 T CA -0.304 61.709 62.100 -0.146 0.000 0.967 369 T CB 0.294 69.143 68.868 -0.032 0.000 0.960 369 T HN 0.354 nan 8.240 nan 0.000 0.441 370 F N 2.822 122.815 119.950 0.073 0.000 2.411 370 F HA 0.571 5.098 4.527 0.001 0.000 0.352 370 F C 0.281 176.145 175.800 0.106 0.000 1.123 370 F CA -1.081 56.967 58.000 0.080 0.000 1.044 370 F CB 0.799 39.823 39.000 0.041 0.000 1.135 370 F HN 0.296 nan 8.300 nan 0.000 0.461 371 I N 5.192 125.925 120.570 0.271 0.000 2.362 371 I HA 0.336 4.507 4.170 0.001 0.000 0.289 371 I C -0.740 175.553 176.117 0.293 0.000 0.994 371 I CA -0.665 60.775 61.300 0.233 0.000 1.158 371 I CB 1.281 39.380 38.000 0.165 0.000 1.315 371 I HN 0.356 nan 8.210 nan 0.000 0.451 372 I N 5.614 126.328 120.570 0.241 0.000 2.328 372 I HA 0.359 4.529 4.170 0.001 0.000 0.287 372 I C 0.934 177.149 176.117 0.164 0.000 1.012 372 I CA -0.100 61.339 61.300 0.232 0.000 1.195 372 I CB 0.793 38.921 38.000 0.213 0.000 1.350 372 I HN 0.621 nan 8.210 nan 0.000 0.464 373 G N 4.781 113.676 108.800 0.157 0.000 2.553 373 G HA2 0.424 4.385 3.960 0.001 0.000 0.278 373 G HA3 0.424 4.385 3.960 0.001 0.000 0.278 373 G C 0.087 175.033 174.900 0.075 0.000 1.349 373 G CA -0.209 44.946 45.100 0.091 0.000 1.037 373 G HN 0.662 nan 8.290 nan 0.000 0.508 374 S N -1.868 113.857 115.700 0.042 0.000 2.718 374 S HA 0.359 4.830 4.470 0.001 0.000 0.300 374 S C 0.060 174.679 174.600 0.030 0.000 1.117 374 S CA -0.605 57.620 58.200 0.042 0.000 1.002 374 S CB 2.070 65.290 63.200 0.034 0.000 1.092 374 S HN 0.340 nan 8.310 nan 0.000 0.542 375 D N 0.920 121.339 120.400 0.032 0.000 2.352 375 D HA 0.251 4.892 4.640 0.001 0.000 0.232 375 D C 0.146 176.452 176.300 0.011 0.000 1.055 375 D CA 0.401 54.415 54.000 0.025 0.000 0.891 375 D CB 0.048 40.865 40.800 0.029 0.000 0.897 375 D HN 0.392 nan 8.370 nan 0.000 0.529 376 S N 0.124 115.824 115.700 0.000 0.000 2.766 376 S HA 0.308 4.778 4.470 0.001 0.000 0.307 376 S C 0.063 174.637 174.600 -0.044 0.000 1.121 376 S CA -0.875 57.315 58.200 -0.017 0.000 0.980 376 S CB 0.990 64.181 63.200 -0.015 0.000 1.159 376 S HN 0.028 nan 8.310 nan 0.000 0.546 377 N N 3.117 121.779 118.700 -0.062 0.000 2.438 377 N HA 0.187 4.927 4.740 0.001 0.000 0.267 377 N C -0.929 174.492 175.510 -0.149 0.000 1.222 377 N CA 0.396 53.385 53.050 -0.103 0.000 0.930 377 N CB -0.133 38.293 38.487 -0.101 0.000 1.083 377 N HN 0.445 nan 8.380 nan 0.000 0.476 378 D N 1.453 121.732 120.400 -0.201 0.000 2.350 378 D HA 0.403 5.044 4.640 0.001 0.000 0.238 378 D C 0.045 176.096 176.300 -0.414 0.000 0.989 378 D CA -0.442 53.402 54.000 -0.260 0.000 0.921 378 D CB 1.967 42.640 40.800 -0.212 0.000 1.297 378 D HN 0.189 nan 8.370 nan 0.000 0.490 379 L N 1.832 122.751 121.223 -0.507 0.000 2.294 379 L HA 0.491 4.831 4.340 0.001 0.000 0.283 379 L C -0.331 176.317 176.870 -0.371 0.000 1.015 379 L CA -0.509 53.842 54.840 -0.816 0.000 0.831 379 L CB 0.948 42.094 42.059 -1.522 0.000 1.217 379 L HN 0.141 nan 8.230 nan 0.000 0.420 380 I N 3.280 123.788 120.570 -0.104 0.000 2.406 380 I HA 0.301 4.471 4.170 0.001 0.000 0.290 380 I C -0.359 176.005 176.117 0.412 0.000 0.999 380 I CA -0.488 60.889 61.300 0.129 0.000 1.124 380 I CB 2.136 40.159 38.000 0.037 0.000 1.289 380 I HN 0.520 nan 8.210 nan 0.000 0.441 381 Q N 5.341 125.332 119.800 0.318 0.000 2.363 381 Q HA 0.557 4.898 4.340 0.001 0.000 0.265 381 Q C -0.414 175.650 176.000 0.108 0.000 1.032 381 Q CA -0.468 55.449 55.803 0.189 0.000 0.746 381 Q CB 1.761 30.556 28.738 0.095 0.000 1.237 381 Q HN 0.760 nan 8.270 nan 0.000 0.475 382 G N 1.754 110.609 108.800 0.091 0.000 2.572 382 G HA2 0.503 4.464 3.960 0.001 0.000 0.261 382 G HA3 0.503 4.464 3.960 0.001 0.000 0.261 382 G C 0.073 174.980 174.900 0.013 0.000 1.197 382 G CA -0.184 44.941 45.100 0.042 0.000 0.870 382 G HN 0.727 nan 8.290 nan 0.000 0.548 383 G N -1.161 107.643 108.800 0.007 0.000 2.525 383 G HA2 0.383 4.343 3.960 0.001 0.000 0.287 383 G HA3 0.383 4.343 3.960 0.001 0.000 0.287 383 G C 1.309 176.202 174.900 -0.012 0.000 1.350 383 G CA 0.579 45.685 45.100 0.010 0.000 1.039 383 G HN 1.061 nan 8.290 nan 0.000 0.513 384 S N -1.332 114.366 115.700 -0.003 0.000 2.522 384 S HA 0.182 4.652 4.470 0.001 0.000 0.227 384 S C 1.393 175.990 174.600 -0.005 0.000 0.986 384 S CA 0.529 58.723 58.200 -0.009 0.000 0.929 384 S CB -0.135 63.064 63.200 -0.001 0.000 0.769 384 S HN 0.848 nan 8.310 nan 0.000 0.529 385 G N 1.720 110.522 108.800 0.003 0.000 2.582 385 G HA2 0.388 4.348 3.960 0.001 0.000 0.232 385 G HA3 0.388 4.348 3.960 0.001 0.000 0.232 385 G C -0.525 174.360 174.900 -0.024 0.000 1.458 385 G CA -0.893 44.214 45.100 0.012 0.000 1.062 385 G HN 0.363 nan 8.290 nan 0.000 0.566 386 N N 1.137 119.813 118.700 -0.040 0.000 2.434 386 N HA 0.368 5.109 4.740 0.001 0.000 0.272 386 N C -1.439 173.881 175.510 -0.316 0.000 1.040 386 N CA -0.056 52.914 53.050 -0.134 0.000 0.956 386 N CB 1.716 40.156 38.487 -0.078 0.000 1.108 386 N HN 0.348 nan 8.380 nan 0.000 0.481 387 D N 0.626 120.750 120.400 -0.461 0.000 2.575 387 D HA 0.353 4.993 4.640 0.001 0.000 0.236 387 D C -1.001 174.773 176.300 -0.876 0.000 1.075 387 D CA -0.312 53.381 54.000 -0.512 0.000 0.860 387 D CB 1.268 41.924 40.800 -0.240 0.000 1.475 387 D HN 0.345 nan 8.370 nan 0.000 0.474 388 Y N 1.087 121.070 120.300 -0.527 0.000 2.376 388 Y HA 0.413 4.964 4.550 0.001 0.000 0.326 388 Y C -0.630 175.104 175.900 -0.277 0.000 0.970 388 Y CA -0.839 56.788 58.100 -0.788 0.000 1.248 388 Y CB 0.865 38.364 38.460 -1.602 0.000 1.117 388 Y HN 0.086 nan 8.280 nan 0.000 0.476 389 L N 3.532 124.861 121.223 0.176 0.000 2.287 389 L HA 0.553 4.893 4.340 0.001 0.000 0.287 389 L C -0.282 176.923 176.870 0.559 0.000 1.022 389 L CA -0.616 54.447 54.840 0.372 0.000 0.814 389 L CB 1.954 44.169 42.059 0.260 0.000 1.217 389 L HN 0.567 nan 8.230 nan 0.000 0.420 390 E N 1.606 122.146 120.200 0.567 0.000 2.185 390 E HA 0.329 4.679 4.350 0.001 0.000 0.261 390 E C 0.574 177.394 176.600 0.366 0.000 0.879 390 E CA -0.352 56.283 56.400 0.392 0.000 0.756 390 E CB 1.888 31.752 29.700 0.275 0.000 1.152 390 E HN 0.738 nan 8.360 nan 0.000 0.416 391 G N 3.884 112.939 108.800 0.426 0.000 2.421 391 G HA2 -0.110 3.851 3.960 0.001 0.000 0.217 391 G HA3 -0.110 3.851 3.960 0.001 0.000 0.217 391 G C 0.600 175.590 174.900 0.150 0.000 1.143 391 G CA 0.501 45.803 45.100 0.338 0.000 0.784 391 G HN 0.730 nan 8.290 nan 0.000 0.541 392 R N -0.753 119.821 120.500 0.122 0.000 3.860 392 R HA -0.187 4.154 4.340 0.001 0.000 0.460 392 R C 0.787 177.120 176.300 0.056 0.000 0.241 392 R CA 0.577 56.718 56.100 0.068 0.000 1.452 392 R CB -1.607 28.729 30.300 0.060 0.000 1.021 392 R HN 0.652 nan 8.270 nan 0.000 0.555 393 A N 0.383 123.225 122.820 0.037 0.000 2.296 393 A HA 0.580 4.901 4.320 0.001 0.000 0.264 393 A C 0.696 178.288 177.584 0.015 0.000 1.097 393 A CA 0.607 52.659 52.037 0.025 0.000 0.811 393 A CB 0.322 19.334 19.000 0.019 0.000 1.072 393 A HN 1.609 nan 8.150 nan 0.000 0.495 394 G N -0.007 108.797 108.800 0.007 0.000 2.663 394 G HA2 -0.068 3.892 3.960 0.001 0.000 0.686 394 G HA3 -0.068 3.892 3.960 0.001 0.000 0.686 394 G C -0.864 174.028 174.900 -0.014 0.000 1.288 394 G CA -0.479 44.615 45.100 -0.011 0.000 0.836 394 G HN 0.970 nan 8.290 nan 0.000 0.584 395 N N 2.057 120.739 118.700 -0.031 0.000 2.482 395 N HA 0.326 5.067 4.740 0.001 0.000 0.242 395 N C -0.584 174.876 175.510 -0.082 0.000 1.100 395 N CA -0.128 52.902 53.050 -0.033 0.000 0.946 395 N CB 0.796 39.266 38.487 -0.029 0.000 1.227 395 N HN 0.510 nan 8.380 nan 0.000 0.508 396 D N 0.736 121.080 120.400 -0.095 0.000 2.229 396 D HA 0.330 4.970 4.640 0.001 0.000 0.249 396 D C 0.045 176.171 176.300 -0.290 0.000 1.027 396 D CA 0.082 53.923 54.000 -0.266 0.000 0.923 396 D CB 1.510 42.082 40.800 -0.381 0.000 1.174 396 D HN 0.172 nan 8.370 nan 0.000 0.443 397 T N 1.375 115.678 114.554 -0.419 0.000 2.792 397 T HA 0.460 4.810 4.350 0.001 0.000 0.280 397 T C -0.402 174.138 174.700 -0.268 0.000 0.990 397 T CA -0.535 61.446 62.100 -0.198 0.000 0.960 397 T CB 0.407 69.223 68.868 -0.087 0.000 0.939 397 T HN 0.087 nan 8.240 nan 0.000 0.439 398 F N 1.913 121.987 119.950 0.207 0.000 2.450 398 F HA 0.661 5.189 4.527 0.001 0.000 0.332 398 F C 0.912 176.842 175.800 0.216 0.000 1.093 398 F CA -1.125 57.017 58.000 0.236 0.000 1.003 398 F CB 1.527 40.598 39.000 0.119 0.000 1.151 398 F HN 0.200 nan 8.300 nan 0.000 0.474 399 R N 0.792 121.494 120.500 0.337 0.000 2.854 399 R HA 0.621 4.961 4.340 0.001 0.000 0.271 399 R C -1.743 174.596 176.300 0.066 0.000 0.996 399 R CA -1.093 55.038 56.100 0.051 0.000 0.961 399 R CB 2.287 32.402 30.300 -0.309 0.000 1.182 399 R HN 0.721 nan 8.270 nan 0.000 0.479 400 D N -1.076 119.325 120.400 0.002 0.000 2.803 400 D HA 0.262 4.903 4.640 0.001 0.000 0.218 400 D C 0.075 176.360 176.300 -0.026 0.000 1.245 400 D CA -0.435 53.560 54.000 -0.008 0.000 0.821 400 D CB 1.651 42.444 40.800 -0.013 0.000 1.626 400 D HN 0.544 nan 8.370 nan 0.000 0.487 401 G N 1.172 109.954 108.800 -0.030 0.000 3.042 401 G HA2 0.538 4.498 3.960 0.001 0.000 0.212 401 G HA3 0.538 4.498 3.960 0.001 0.000 0.212 401 G C 0.721 175.605 174.900 -0.026 0.000 1.166 401 G CA 0.406 45.489 45.100 -0.028 0.000 0.767 401 G HN 0.837 nan 8.290 nan 0.000 0.546 402 G N -2.362 106.414 108.800 -0.040 0.000 2.357 402 G HA2 0.505 4.466 3.960 0.001 0.000 0.289 402 G HA3 0.505 4.466 3.960 0.001 0.000 0.289 402 G C 0.429 175.266 174.900 -0.105 0.000 1.302 402 G CA 0.277 45.338 45.100 -0.066 0.000 0.936 402 G HN 1.772 nan 8.290 nan 0.000 0.513 403 G N -1.225 107.486 108.800 -0.150 0.000 2.569 403 G HA2 0.119 4.080 3.960 0.001 0.000 0.259 403 G HA3 0.119 4.080 3.960 0.001 0.000 0.259 403 G C -0.348 174.328 174.900 -0.374 0.000 1.263 403 G CA 0.617 45.618 45.100 -0.165 0.000 0.928 403 G HN 1.749 nan 8.290 nan 0.000 0.572 404 Y N 1.871 122.117 120.300 -0.089 0.000 2.331 404 Y HA 0.612 5.163 4.550 0.001 0.000 0.334 404 Y C 0.515 176.282 175.900 -0.221 0.000 0.960 404 Y CA -0.834 57.204 58.100 -0.104 0.000 1.130 404 Y CB 1.963 40.385 38.460 -0.063 0.000 1.164 404 Y HN 0.591 nan 8.280 nan 0.000 0.458 405 N N 1.934 120.559 118.700 -0.125 0.000 2.242 405 N HA 0.564 5.304 4.740 0.001 0.000 0.292 405 N C -1.750 173.629 175.510 -0.218 0.000 1.125 405 N CA -0.719 52.161 53.050 -0.284 0.000 0.783 405 N CB 2.925 41.280 38.487 -0.221 0.000 1.558 405 N HN 0.219 nan 8.380 nan 0.000 0.472 406 V N 1.957 121.699 119.914 -0.287 0.000 2.448 406 V HA 0.551 4.671 4.120 0.001 0.000 0.295 406 V C -0.139 175.991 176.094 0.060 0.000 1.025 406 V CA -0.614 61.687 62.300 0.001 0.000 0.859 406 V CB 1.477 33.486 31.823 0.309 0.000 0.988 406 V HN 0.535 nan 8.190 nan 0.000 0.431 407 I N 6.077 126.632 120.570 -0.024 0.000 2.448 407 I HA 0.437 4.607 4.170 0.001 0.000 0.281 407 I C -0.872 175.111 176.117 -0.223 0.000 1.027 407 I CA -0.349 60.820 61.300 -0.219 0.000 1.111 407 I CB 1.659 39.390 38.000 -0.448 0.000 1.236 407 I HN 0.341 nan 8.210 nan 0.000 0.452 408 L N 5.450 126.593 121.223 -0.132 0.000 2.277 408 L HA 0.416 4.756 4.340 0.001 0.000 0.284 408 L C 1.482 178.318 176.870 -0.055 0.000 1.028 408 L CA -0.286 54.498 54.840 -0.093 0.000 0.835 408 L CB 1.638 43.637 42.059 -0.100 0.000 1.215 408 L HN 0.783 nan 8.230 nan 0.000 0.425 409 G N 2.138 110.914 108.800 -0.039 0.000 2.432 409 G HA2 0.170 4.130 3.960 0.001 0.000 0.219 409 G HA3 0.170 4.130 3.960 0.001 0.000 0.219 409 G C 0.882 175.888 174.900 0.176 0.000 1.135 409 G CA 0.664 45.862 45.100 0.164 0.000 0.767 409 G HN 0.920 nan 8.290 nan 0.000 0.550 410 G N -0.557 108.288 108.800 0.076 0.000 2.697 410 G HA2 0.248 4.208 3.960 0.001 0.000 0.240 410 G HA3 0.248 4.208 3.960 0.001 0.000 0.240 410 G C 0.528 175.455 174.900 0.045 0.000 1.346 410 G CA 0.199 45.330 45.100 0.052 0.000 0.887 410 G HN 1.466 nan 8.290 nan 0.000 0.569 411 A N -0.670 122.170 122.820 0.033 0.000 2.387 411 A HA 0.798 5.118 4.320 0.001 0.000 0.251 411 A C 1.998 179.601 177.584 0.031 0.000 1.113 411 A CA 2.241 54.293 52.037 0.025 0.000 0.794 411 A CB -0.418 18.592 19.000 0.017 0.000 1.069 411 A HN 3.063 nan 8.150 nan 0.000 0.506 412 G N -0.296 108.517 108.800 0.021 0.000 2.760 412 G HA2 -0.140 3.821 3.960 0.001 0.000 0.246 412 G HA3 -0.140 3.821 3.960 0.001 0.000 0.246 412 G C -0.559 174.356 174.900 0.025 0.000 1.359 412 G CA -0.169 44.943 45.100 0.019 0.000 0.861 412 G HN 1.037 nan 8.290 nan 0.000 0.541 413 N N 2.164 120.876 118.700 0.020 0.000 2.485 413 N HA 0.304 5.045 4.740 0.001 0.000 0.243 413 N C -0.364 175.170 175.510 0.040 0.000 0.987 413 N CA -0.374 52.691 53.050 0.025 0.000 0.940 413 N CB 0.601 39.096 38.487 0.013 0.000 1.122 413 N HN 0.517 nan 8.380 nan 0.000 0.509 414 N N 0.791 119.535 118.700 0.073 0.000 2.384 414 N HA 0.458 5.199 4.740 0.001 0.000 0.301 414 N C -0.477 175.117 175.510 0.140 0.000 1.133 414 N CA -0.121 53.008 53.050 0.131 0.000 0.853 414 N CB 1.915 40.544 38.487 0.237 0.000 1.241 414 N HN 0.206 nan 8.380 nan 0.000 0.502 415 T N 1.001 115.668 114.554 0.188 0.000 2.916 415 T HA 0.373 4.723 4.350 0.001 0.000 0.298 415 T C -0.920 173.943 174.700 0.271 0.000 1.031 415 T CA -0.481 61.718 62.100 0.165 0.000 0.993 415 T CB 1.623 70.554 68.868 0.104 0.000 1.045 415 T HN 0.253 nan 8.240 nan 0.000 0.454 416 L N 3.347 124.687 121.223 0.194 0.000 2.298 416 L HA 0.612 4.953 4.340 0.001 0.000 0.284 416 L C -0.869 176.064 176.870 0.106 0.000 1.013 416 L CA -0.461 54.487 54.840 0.181 0.000 0.824 416 L CB 1.189 43.293 42.059 0.074 0.000 1.221 416 L HN 0.490 nan 8.230 nan 0.000 0.418 417 D N 4.504 124.981 120.400 0.128 0.000 2.428 417 D HA 0.210 4.851 4.640 0.001 0.000 0.221 417 D C 0.775 177.086 176.300 0.018 0.000 1.123 417 D CA -0.063 53.986 54.000 0.083 0.000 0.869 417 D CB 0.788 41.662 40.800 0.123 0.000 1.032 417 D HN 0.645 nan 8.370 nan 0.000 0.506 418 L N 2.755 123.962 121.223 -0.027 0.000 2.478 418 L HA 0.008 4.348 4.340 0.001 0.000 0.223 418 L C 1.267 178.174 176.870 0.061 0.000 1.140 418 L CA 0.167 54.969 54.840 -0.064 0.000 0.842 418 L CB -0.358 41.502 42.059 -0.332 0.000 0.953 418 L HN 0.531 nan 8.230 nan 0.000 0.452 419 Q N -0.724 119.106 119.800 0.051 0.000 2.406 419 Q HA -0.232 4.108 4.340 0.001 0.000 0.236 419 Q C -0.309 175.743 176.000 0.087 0.000 0.799 419 Q CA 1.264 57.096 55.803 0.049 0.000 1.286 419 Q CB -1.059 27.679 28.738 -0.001 0.000 1.615 419 Q HN 0.526 nan 8.270 nan 0.000 0.621 420 K N -0.579 119.915 120.400 0.156 0.000 2.499 420 K HA 0.513 4.833 4.320 0.001 0.000 0.277 420 K C -0.633 176.090 176.600 0.204 0.000 1.025 420 K CA -0.548 55.842 56.287 0.171 0.000 0.900 420 K CB 1.769 34.396 32.500 0.213 0.000 1.494 420 K HN -0.011 nan 8.250 nan 0.000 0.442 421 S N 0.191 115.977 115.700 0.144 0.000 2.562 421 S HA 0.011 4.481 4.470 0.001 0.000 0.281 421 S C 1.142 175.888 174.600 0.244 0.000 1.333 421 S CA -0.406 57.876 58.200 0.137 0.000 1.052 421 S CB 1.074 64.309 63.200 0.058 0.000 0.884 421 S HN 0.464 nan 8.310 nan 0.000 0.506 422 V N 4.809 124.852 119.914 0.216 0.000 2.469 422 V HA -0.175 3.946 4.120 0.001 0.000 0.251 422 V C 1.699 177.972 176.094 0.298 0.000 1.064 422 V CA 2.602 65.064 62.300 0.270 0.000 1.066 422 V CB -1.051 30.802 31.823 0.051 0.000 0.667 422 V HN 0.950 nan 8.190 nan 0.000 0.461 423 N N -0.041 118.748 118.700 0.149 0.000 2.520 423 N HA -0.107 4.633 4.740 0.001 0.000 0.185 423 N C 1.474 176.991 175.510 0.012 0.000 1.068 423 N CA 1.352 54.450 53.050 0.081 0.000 0.911 423 N CB -0.147 38.359 38.487 0.032 0.000 0.961 423 N HN 0.701 nan 8.380 nan 0.000 0.446 424 T N -2.444 112.076 114.554 -0.056 0.000 3.129 424 T HA 0.163 4.513 4.350 0.001 0.000 0.251 424 T C 0.055 174.412 174.700 -0.571 0.000 1.117 424 T CA 0.081 61.993 62.100 -0.313 0.000 1.034 424 T CB -0.298 68.320 68.868 -0.416 0.000 0.968 424 T HN -0.088 nan 8.240 nan 0.000 0.526 425 F N 0.811 120.705 119.950 -0.093 0.000 2.611 425 F HA 0.653 5.180 4.527 0.001 0.000 0.324 425 F C -0.403 175.210 175.800 -0.311 0.000 1.061 425 F CA -1.492 56.338 58.000 -0.283 0.000 0.954 425 F CB 1.644 40.324 39.000 -0.534 0.000 1.301 425 F HN -0.092 nan 8.300 nan 0.000 0.482 426 D N 0.912 121.176 120.400 -0.226 0.000 2.350 426 D HA 0.460 5.100 4.640 0.001 0.000 0.245 426 D C -1.212 174.780 176.300 -0.513 0.000 1.036 426 D CA -0.139 53.748 54.000 -0.188 0.000 0.848 426 D CB 1.974 42.778 40.800 0.007 0.000 1.307 426 D HN 0.125 nan 8.370 nan 0.000 0.469 427 F N 0.688 120.624 119.950 -0.023 0.000 2.532 427 F HA 0.715 5.243 4.527 0.001 0.000 0.321 427 F C 0.429 176.056 175.800 -0.289 0.000 1.089 427 F CA -0.790 57.164 58.000 -0.076 0.000 0.926 427 F CB 1.970 41.035 39.000 0.109 0.000 1.168 427 F HN 0.304 nan 8.300 nan 0.000 0.459 428 A N 2.250 124.818 122.820 -0.420 0.000 2.566 428 A HA 0.777 5.098 4.320 0.001 0.000 0.292 428 A C -1.644 175.589 177.584 -0.585 0.000 1.112 428 A CA -0.683 50.948 52.037 -0.677 0.000 0.707 428 A CB 2.146 20.316 19.000 -1.383 0.000 1.302 428 A HN 0.669 nan 8.150 nan 0.000 0.409 429 N N 0.033 118.325 118.700 -0.680 0.000 2.369 429 N HA 0.233 4.974 4.740 0.001 0.000 0.287 429 N C -1.228 173.843 175.510 -0.732 0.000 1.067 429 N CA -0.127 52.525 53.050 -0.664 0.000 0.888 429 N CB 2.100 39.996 38.487 -0.986 0.000 1.616 429 N HN 0.654 nan 8.380 nan 0.000 0.482 430 D N 1.808 121.722 120.400 -0.810 0.000 2.339 430 D HA 0.187 4.827 4.640 0.001 0.000 0.217 430 D C 1.180 177.212 176.300 -0.446 0.000 1.050 430 D CA 0.765 54.064 54.000 -1.168 0.000 0.856 430 D CB -0.191 40.005 40.800 -1.006 0.000 0.922 430 D HN 0.845 nan 8.370 nan 0.000 0.518 431 G N -0.056 108.568 108.800 -0.293 0.000 2.179 431 G HA2 -0.223 3.738 3.960 0.001 0.000 0.260 431 G HA3 -0.223 3.738 3.960 0.001 0.000 0.260 431 G C 0.777 175.615 174.900 -0.104 0.000 0.977 431 G CA 0.256 45.271 45.100 -0.142 0.000 0.641 431 G HN 0.964 nan 8.290 nan 0.000 0.533 432 A N -0.367 122.376 122.820 -0.127 0.000 2.701 432 A HA 0.718 5.038 4.320 0.001 0.000 0.297 432 A C 1.985 179.519 177.584 -0.082 0.000 1.197 432 A CA 1.346 53.338 52.037 -0.075 0.000 0.963 432 A CB -0.394 18.579 19.000 -0.044 0.000 1.175 432 A HN 2.299 nan 8.150 nan 0.000 0.531 433 G N 0.019 108.755 108.800 -0.105 0.000 2.195 433 G HA2 -0.227 3.734 3.960 0.001 0.000 0.246 433 G HA3 -0.227 3.734 3.960 0.001 0.000 0.246 433 G C -0.149 174.659 174.900 -0.154 0.000 0.984 433 G CA 0.030 45.068 45.100 -0.104 0.000 0.633 433 G HN 0.526 nan 8.290 nan 0.000 0.525 434 N N 0.509 119.081 118.700 -0.214 0.000 2.422 434 N HA 0.498 5.239 4.740 0.001 0.000 0.266 434 N C -0.739 174.497 175.510 -0.456 0.000 1.007 434 N CA -0.273 52.553 53.050 -0.374 0.000 0.941 434 N CB 2.140 40.332 38.487 -0.493 0.000 1.115 434 N HN 0.291 nan 8.380 nan 0.000 0.492 435 L N 3.851 124.819 121.223 -0.425 0.000 2.265 435 L HA 0.381 4.722 4.340 0.001 0.000 0.289 435 L C -1.247 175.389 176.870 -0.391 0.000 1.033 435 L CA -0.613 54.030 54.840 -0.328 0.000 0.814 435 L CB 0.054 42.016 42.059 -0.161 0.000 1.203 435 L HN 0.354 nan 8.230 nan 0.000 0.423 436 Y N 4.333 124.525 120.300 -0.179 0.000 2.327 436 Y HA 0.533 5.083 4.550 0.001 0.000 0.336 436 Y C 0.055 175.853 175.900 -0.170 0.000 1.035 436 Y CA -0.785 57.244 58.100 -0.118 0.000 1.165 436 Y CB 1.306 39.718 38.460 -0.080 0.000 1.181 436 Y HN 0.257 nan 8.280 nan 0.000 0.494 437 V N 5.093 125.000 119.914 -0.011 0.000 2.357 437 V HA 0.423 4.543 4.120 0.001 0.000 0.284 437 V C -0.278 175.780 176.094 -0.060 0.000 1.018 437 V CA -1.007 61.182 62.300 -0.185 0.000 0.841 437 V CB 1.244 32.929 31.823 -0.231 0.000 0.991 437 V HN 0.702 nan 8.190 nan 0.000 0.437 438 R N 3.456 123.921 120.500 -0.058 0.000 2.295 438 R HA 0.475 4.816 4.340 0.001 0.000 0.324 438 R C -0.462 175.860 176.300 0.037 0.000 0.968 438 R CA -0.540 55.587 56.100 0.045 0.000 0.837 438 R CB 1.087 31.489 30.300 0.170 0.000 1.133 438 R HN 0.914 nan 8.270 nan 0.000 0.450 439 D N 3.367 123.777 120.400 0.016 0.000 2.432 439 D HA 0.151 4.791 4.640 0.001 0.000 0.258 439 D C 0.732 176.884 176.300 -0.246 0.000 1.146 439 D CA -0.406 53.514 54.000 -0.133 0.000 1.015 439 D CB 0.895 41.674 40.800 -0.035 0.000 1.107 439 D HN 0.424 nan 8.370 nan 0.000 0.529 440 A N 0.070 122.666 122.820 -0.373 0.000 2.178 440 A HA -0.149 4.171 4.320 0.001 0.000 0.218 440 A C 1.219 178.708 177.584 -0.157 0.000 1.157 440 A CA 0.850 52.735 52.037 -0.253 0.000 0.689 440 A CB -0.690 18.149 19.000 -0.268 0.000 0.787 440 A HN 0.539 nan 8.150 nan 0.000 0.465 441 N N -1.209 117.404 118.700 -0.146 0.000 2.236 441 N HA 0.210 4.951 4.740 0.001 0.000 0.196 441 N C 1.117 176.582 175.510 -0.076 0.000 1.114 441 N CA 0.942 53.934 53.050 -0.096 0.000 0.859 441 N CB 0.707 39.141 38.487 -0.087 0.000 0.982 441 N HN 0.575 nan 8.380 nan 0.000 0.493 442 G N -0.190 108.556 108.800 -0.090 0.000 2.195 442 G HA2 -0.215 3.746 3.960 0.001 0.000 0.246 442 G HA3 -0.215 3.746 3.960 0.001 0.000 0.246 442 G C 0.492 175.297 174.900 -0.159 0.000 0.984 442 G CA -0.096 44.972 45.100 -0.054 0.000 0.633 442 G HN 0.577 nan 8.290 nan 0.000 0.525 443 G N -0.001 108.584 108.800 -0.358 0.000 2.398 443 G HA2 0.512 4.472 3.960 0.001 0.000 0.246 443 G HA3 0.512 4.472 3.960 0.001 0.000 0.246 443 G C -0.035 174.580 174.900 -0.475 0.000 1.289 443 G CA -0.088 44.496 45.100 -0.860 0.000 0.869 443 G HN 0.681 nan 8.290 nan 0.000 0.543 444 I N 1.166 121.459 120.570 -0.462 0.000 2.433 444 I HA 0.230 4.401 4.170 0.001 0.000 0.292 444 I C 0.038 176.143 176.117 -0.019 0.000 1.001 444 I CA -0.450 60.832 61.300 -0.030 0.000 1.119 444 I CB 2.183 40.308 38.000 0.208 0.000 1.289 444 I HN 0.281 nan 8.210 nan 0.000 0.438 445 S N 6.749 122.443 115.700 -0.010 0.000 2.433 445 S HA 0.549 5.020 4.470 0.001 0.000 0.310 445 S C -0.169 174.411 174.600 -0.032 0.000 1.097 445 S CA -0.500 57.674 58.200 -0.044 0.000 1.103 445 S CB 0.723 63.864 63.200 -0.097 0.000 0.992 445 S HN 0.333 nan 8.310 nan 0.000 0.469 446 I N 3.955 124.495 120.570 -0.050 0.000 2.312 446 I HA 0.241 4.411 4.170 0.001 0.000 0.291 446 I C 0.754 176.753 176.117 -0.197 0.000 1.031 446 I CA -0.230 60.955 61.300 -0.191 0.000 1.293 446 I CB 0.766 38.694 38.000 -0.120 0.000 1.403 446 I HN 0.525 nan 8.210 nan 0.000 0.484 447 T N 4.178 118.572 114.554 -0.267 0.000 2.855 447 T HA 0.662 5.013 4.350 0.001 0.000 0.281 447 T C -0.262 174.316 174.700 -0.204 0.000 1.007 447 T CA -0.930 61.045 62.100 -0.208 0.000 1.009 447 T CB 1.810 70.569 68.868 -0.182 0.000 0.983 447 T HN 0.532 nan 8.240 nan 0.000 0.455 448 R N 1.465 121.874 120.500 -0.151 0.000 2.854 448 R HA 0.435 4.775 4.340 0.001 0.000 0.271 448 R C -0.605 175.647 176.300 -0.080 0.000 0.994 448 R CA -0.901 55.129 56.100 -0.116 0.000 0.945 448 R CB 1.189 31.434 30.300 -0.092 0.000 1.194 448 R HN 0.821 nan 8.270 nan 0.000 0.476 449 D N 0.945 121.312 120.400 -0.055 0.000 2.860 449 D HA -0.205 4.436 4.640 0.001 0.000 0.229 449 D C -0.460 175.842 176.300 0.004 0.000 1.169 449 D CA 1.257 55.245 54.000 -0.020 0.000 0.737 449 D CB -0.832 39.965 40.800 -0.005 0.000 1.080 449 D HN 0.394 nan 8.370 nan 0.000 0.424 450 I N 0.269 120.830 120.570 -0.014 0.000 2.354 450 I HA 0.300 4.470 4.170 0.001 0.000 0.286 450 I C 1.617 177.741 176.117 0.011 0.000 1.007 450 I CA -0.247 61.064 61.300 0.019 0.000 1.167 450 I CB 1.795 39.794 38.000 -0.001 0.000 1.320 450 I HN -0.035 nan 8.210 nan 0.000 0.458 451 G N 3.610 112.425 108.800 0.025 0.000 2.887 451 G HA2 0.109 4.069 3.960 0.001 0.000 0.211 451 G HA3 0.109 4.069 3.960 0.001 0.000 0.211 451 G C 0.347 175.255 174.900 0.013 0.000 1.152 451 G CA 0.119 45.226 45.100 0.012 0.000 0.769 451 G HN 0.510 nan 8.290 nan 0.000 0.541 452 S N 0.338 116.055 115.700 0.028 0.000 2.521 452 S HA 0.668 5.139 4.470 0.001 0.000 0.295 452 S C -1.186 173.440 174.600 0.042 0.000 1.098 452 S CA -0.510 57.709 58.200 0.033 0.000 0.999 452 S CB 2.165 65.387 63.200 0.037 0.000 1.034 452 S HN -0.012 nan 8.310 nan 0.000 0.483 453 I N 2.838 123.432 120.570 0.040 0.000 2.465 453 I HA 0.474 4.645 4.170 0.001 0.000 0.291 453 I C -0.464 175.717 176.117 0.106 0.000 1.014 453 I CA -0.902 60.408 61.300 0.016 0.000 1.093 453 I CB 1.521 39.444 38.000 -0.128 0.000 1.267 453 I HN 0.319 nan 8.210 nan 0.000 0.431 454 V N 5.326 125.292 119.914 0.085 0.000 2.483 454 V HA 0.709 4.829 4.120 0.001 0.000 0.295 454 V C 0.319 176.470 176.094 0.096 0.000 1.035 454 V CA -0.396 61.975 62.300 0.117 0.000 0.896 454 V CB 1.934 33.812 31.823 0.092 0.000 0.986 454 V HN 0.951 nan 8.190 nan 0.000 0.447 455 T N 1.427 116.072 114.554 0.151 0.000 2.901 455 T HA 0.608 4.959 4.350 0.001 0.000 0.293 455 T C -0.872 173.901 174.700 0.121 0.000 1.084 455 T CA -1.049 61.134 62.100 0.138 0.000 1.008 455 T CB 2.123 71.094 68.868 0.171 0.000 1.170 455 T HN 0.458 nan 8.240 nan 0.000 0.509 456 K N 1.760 122.222 120.400 0.103 0.000 2.293 456 K HA 0.333 4.653 4.320 0.001 0.000 0.267 456 K C -0.685 175.945 176.600 0.049 0.000 1.010 456 K CA -0.714 55.613 56.287 0.066 0.000 0.875 456 K CB 1.045 33.576 32.500 0.052 0.000 1.106 456 K HN 0.527 nan 8.250 nan 0.000 0.450 457 E N 4.812 125.027 120.200 0.025 0.000 2.261 457 E HA 0.107 4.458 4.350 0.001 0.000 0.239 457 E C -1.897 174.648 176.600 -0.092 0.000 0.991 457 E CA -2.194 54.199 56.400 -0.012 0.000 0.847 457 E CB 0.769 30.475 29.700 0.008 0.000 1.223 457 E HN 0.381 nan 8.360 nan 0.000 0.446 458 P HA -0.150 nan 4.420 nan 0.000 0.214 458 P C 1.053 178.007 177.300 -0.578 0.000 1.163 458 P CA 1.109 64.085 63.100 -0.207 0.000 0.883 458 P CB 0.252 31.893 31.700 -0.099 0.000 0.788 459 G N -2.620 105.816 108.800 -0.607 0.000 3.424 459 G HA2 0.070 4.030 3.960 0.001 0.000 0.263 459 G HA3 0.070 4.030 3.960 0.001 0.000 0.263 459 G C 0.435 174.993 174.900 -0.570 0.000 1.310 459 G CA -0.183 44.292 45.100 -1.042 0.000 1.089 459 G HN 0.132 nan 8.290 nan 0.000 0.534 460 F N -0.191 119.383 119.950 -0.628 0.000 2.581 460 F HA 0.374 4.902 4.527 0.001 0.000 0.278 460 F C 0.790 176.333 175.800 -0.428 0.000 1.000 460 F CA -0.218 57.531 58.000 -0.419 0.000 1.230 460 F CB 0.534 39.412 39.000 -0.204 0.000 1.008 460 F HN -0.015 nan 8.300 nan 0.000 0.695 461 L N -0.360 120.707 121.223 -0.261 0.000 2.321 461 L HA 0.286 4.627 4.340 0.001 0.000 0.272 461 L C -1.136 175.652 176.870 -0.137 0.000 1.050 461 L CA -0.694 54.045 54.840 -0.168 0.000 0.893 461 L CB -0.284 41.758 42.059 -0.027 0.000 1.272 461 L HN 0.128 nan 8.230 nan 0.000 0.435 462 W N 3.810 125.103 121.300 -0.011 0.000 1.524 462 W HA 0.426 5.087 4.660 0.001 0.000 0.483 462 W C 1.324 177.846 176.519 0.004 0.000 0.608 462 W CA 0.814 58.158 57.345 -0.001 0.000 2.568 462 W CB -0.525 28.924 29.460 -0.017 0.000 0.900 462 W HN 0.905 nan 8.180 nan 0.000 0.375 468 D N 0.611 121.031 120.400 0.033 0.000 2.304 468 D HA 0.351 4.991 4.640 0.001 0.000 0.250 468 D C 0.238 176.550 176.300 0.020 0.000 1.107 468 D CA -0.159 53.864 54.000 0.038 0.000 0.885 468 D CB 2.707 43.535 40.800 0.046 0.000 1.192 468 D HN -0.074 nan 8.370 nan 0.000 0.436 469 V N 2.154 122.077 119.914 0.016 0.000 2.531 469 V HA 0.239 4.360 4.120 0.001 0.000 0.301 469 V C 0.130 176.176 176.094 -0.080 0.000 1.034 469 V CA -0.623 61.638 62.300 -0.065 0.000 0.865 469 V CB 2.114 33.873 31.823 -0.106 0.000 0.995 469 V HN 0.499 nan 8.190 nan 0.000 0.424 470 T N 4.290 118.761 114.554 -0.138 0.000 2.743 470 T HA 0.482 4.832 4.350 0.001 0.000 0.292 470 T C -0.603 173.973 174.700 -0.207 0.000 0.972 470 T CA -0.286 61.766 62.100 -0.080 0.000 0.967 470 T CB 0.087 68.935 68.868 -0.032 0.000 0.926 470 T HN 0.682 nan 8.240 nan 0.000 0.459 471 H N 0.757 119.773 119.070 -0.091 0.000 2.467 471 H HA 0.489 5.045 4.556 0.001 0.000 0.326 471 H C 0.260 175.520 175.328 -0.113 0.000 1.094 471 H CA -0.531 55.438 56.048 -0.132 0.000 1.253 471 H CB 0.730 30.366 29.762 -0.212 0.000 1.439 471 H HN 0.417 nan 8.280 nan 0.000 0.479 472 S N 1.923 117.618 115.700 -0.008 0.000 2.565 472 S HA 0.202 4.672 4.470 0.001 0.000 0.276 472 S C 0.101 174.680 174.600 -0.035 0.000 1.326 472 S CA -0.860 57.327 58.200 -0.022 0.000 1.045 472 S CB 0.773 63.952 63.200 -0.036 0.000 0.918 472 S HN 0.345 nan 8.310 nan 0.000 0.505 473 V N 4.099 124.002 119.914 -0.019 0.000 2.368 473 V HA 0.446 4.566 4.120 0.001 0.000 0.266 473 V C 0.714 176.818 176.094 0.017 0.000 1.045 473 V CA -0.411 61.890 62.300 0.002 0.000 0.899 473 V CB 0.313 32.144 31.823 0.013 0.000 1.006 473 V HN 1.061 nan 8.190 nan 0.000 0.470 474 T N 1.750 116.318 114.554 0.023 0.000 2.916 474 T HA 0.673 5.024 4.350 0.001 0.000 0.292 474 T C 1.124 175.883 174.700 0.099 0.000 1.064 474 T CA -0.062 62.049 62.100 0.019 0.000 1.011 474 T CB 2.081 70.925 68.868 -0.039 0.000 1.152 474 T HN 0.569 nan 8.240 nan 0.000 0.510 475 A N 1.095 123.960 122.820 0.075 0.000 2.032 475 A HA -0.019 4.302 4.320 0.001 0.000 0.221 475 A C 2.242 179.892 177.584 0.109 0.000 1.165 475 A CA 2.098 54.204 52.037 0.115 0.000 0.645 475 A CB -1.233 17.797 19.000 0.050 0.000 0.807 475 A HN 1.280 nan 8.150 nan 0.000 0.453 476 S N -2.588 113.096 115.700 -0.026 0.000 2.556 476 S HA 0.509 4.980 4.470 0.001 0.000 0.216 476 S C 0.815 175.205 174.600 -0.350 0.000 0.970 476 S CA 0.561 58.692 58.200 -0.115 0.000 0.912 476 S CB 0.020 63.165 63.200 -0.090 0.000 0.790 476 S HN 1.757 nan 8.310 nan 0.000 0.504 477 G N 0.606 109.011 108.800 -0.659 0.000 2.362 477 G HA2 0.224 4.184 3.960 0.001 0.000 0.288 477 G HA3 0.224 4.184 3.960 0.001 0.000 0.288 477 G C -1.766 172.722 174.900 -0.687 0.000 1.305 477 G CA -1.146 43.311 45.100 -1.072 0.000 0.910 477 G HN 0.251 nan 8.290 nan 0.000 0.518 478 L N 0.608 121.495 121.223 -0.561 0.000 2.290 478 L HA 0.507 4.848 4.340 0.001 0.000 0.284 478 L C 0.351 177.106 176.870 -0.191 0.000 1.078 478 L CA -0.319 54.319 54.840 -0.336 0.000 0.815 478 L CB 1.232 42.989 42.059 -0.504 0.000 1.162 478 L HN 0.410 nan 8.230 nan 0.000 0.435 479 K N 2.640 122.968 120.400 -0.120 0.000 2.292 479 K HA 0.525 4.845 4.320 0.001 0.000 0.257 479 K C -1.129 175.394 176.600 -0.129 0.000 0.940 479 K CA -0.632 55.585 56.287 -0.116 0.000 0.811 479 K CB 2.611 35.045 32.500 -0.111 0.000 1.120 479 K HN 0.252 nan 8.250 nan 0.000 0.428 480 V N 3.478 123.288 119.914 -0.173 0.000 2.293 480 V HA 0.329 4.450 4.120 0.001 0.000 0.275 480 V C 0.952 176.963 176.094 -0.138 0.000 1.021 480 V CA -0.075 62.096 62.300 -0.215 0.000 0.815 480 V CB 0.074 31.694 31.823 -0.338 0.000 1.025 480 V HN 1.137 nan 8.190 nan 0.000 0.448 481 G N 5.433 114.171 108.800 -0.103 0.000 2.660 481 G HA2 -0.365 3.596 3.960 0.001 0.000 0.321 481 G HA3 -0.365 3.596 3.960 0.001 0.000 0.321 481 G C 1.201 176.057 174.900 -0.073 0.000 1.246 481 G CA 0.896 45.952 45.100 -0.073 0.000 1.000 481 G HN 1.197 nan 8.290 nan 0.000 0.550 482 S N 0.893 116.555 115.700 -0.064 0.000 2.527 482 S HA 0.140 4.610 4.470 0.001 0.000 0.222 482 S C 0.769 175.323 174.600 -0.075 0.000 0.985 482 S CA 0.687 58.851 58.200 -0.061 0.000 0.921 482 S CB -0.012 63.161 63.200 -0.045 0.000 0.772 482 S HN 0.647 nan 8.310 nan 0.000 0.529 483 N N 2.156 120.800 118.700 -0.093 0.000 2.488 483 N HA 0.357 5.098 4.740 0.001 0.000 0.274 483 N C -1.101 174.335 175.510 -0.124 0.000 1.111 483 N CA -0.065 52.918 53.050 -0.112 0.000 0.974 483 N CB 1.783 40.183 38.487 -0.145 0.000 1.089 483 N HN 0.051 nan 8.380 nan 0.000 0.465 484 V N 1.819 121.660 119.914 -0.121 0.000 2.448 484 V HA 0.271 4.391 4.120 0.001 0.000 0.295 484 V C 0.275 176.282 176.094 -0.144 0.000 1.025 484 V CA -0.735 61.479 62.300 -0.144 0.000 0.859 484 V CB 1.688 33.422 31.823 -0.148 0.000 0.988 484 V HN 0.544 nan 8.190 nan 0.000 0.431 485 T N 5.087 119.537 114.554 -0.172 0.000 2.727 485 T HA 0.285 4.636 4.350 0.001 0.000 0.298 485 T C 0.018 174.574 174.700 -0.241 0.000 0.942 485 T CA -0.146 61.851 62.100 -0.173 0.000 0.997 485 T CB 0.452 69.192 68.868 -0.214 0.000 0.917 485 T HN 0.669 nan 8.240 nan 0.000 0.487 486 Q N 2.116 121.822 119.800 -0.157 0.000 2.352 486 Q HA 0.190 4.531 4.340 0.001 0.000 0.260 486 Q C -0.403 175.547 176.000 -0.084 0.000 0.976 486 Q CA -0.408 55.291 55.803 -0.174 0.000 0.881 486 Q CB 0.529 29.215 28.738 -0.087 0.000 1.235 486 Q HN 0.548 nan 8.270 nan 0.000 0.419 487 Y N 0.904 121.186 120.300 -0.030 0.000 2.511 487 Y HA -0.062 4.488 4.550 0.001 0.000 0.347 487 Y C 0.373 176.247 175.900 -0.043 0.000 1.257 487 Y CA -0.279 57.802 58.100 -0.031 0.000 1.469 487 Y CB 0.174 38.600 38.460 -0.056 0.000 1.353 487 Y HN 0.570 nan 8.280 nan 0.000 0.617 488 D N 0.379 120.824 120.400 0.076 0.000 2.399 488 D HA 0.344 4.984 4.640 0.001 0.000 0.241 488 D C -0.388 175.939 176.300 0.045 0.000 1.133 488 D CA 0.190 54.199 54.000 0.015 0.000 0.890 488 D CB 0.540 41.322 40.800 -0.030 0.000 1.201 488 D HN 0.715 nan 8.370 nan 0.000 0.432 489 A N 2.095 124.957 122.820 0.069 0.000 2.583 489 A HA 0.245 4.565 4.320 0.001 0.000 0.249 489 A C -0.016 177.624 177.584 0.093 0.000 1.035 489 A CA 0.553 52.625 52.037 0.058 0.000 0.777 489 A CB -0.055 18.959 19.000 0.023 0.000 0.942 489 A HN 0.369 nan 8.150 nan 0.000 0.516 490 S N 0.582 116.341 115.700 0.099 0.000 2.570 490 S HA 0.632 5.102 4.470 0.001 0.000 0.286 490 S C -0.691 173.972 174.600 0.106 0.000 1.099 490 S CA -0.607 57.663 58.200 0.117 0.000 0.913 490 S CB 1.980 65.356 63.200 0.293 0.000 1.085 490 S HN 0.726 nan 8.310 nan 0.000 0.480 491 V N 2.539 122.484 119.914 0.052 0.000 2.378 491 V HA 0.415 4.536 4.120 0.001 0.000 0.288 491 V C -0.488 175.697 176.094 0.151 0.000 1.016 491 V CA -0.766 61.581 62.300 0.079 0.000 0.840 491 V CB 1.158 32.987 31.823 0.011 0.000 0.994 491 V HN 0.706 nan 8.190 nan 0.000 0.431 492 K N 3.235 123.751 120.400 0.193 0.000 2.227 492 K HA 0.620 4.940 4.320 0.001 0.000 0.280 492 K C 0.739 177.423 176.600 0.140 0.000 1.041 492 K CA -0.111 56.313 56.287 0.228 0.000 0.905 492 K CB 1.846 34.443 32.500 0.160 0.000 1.068 492 K HN 0.848 nan 8.250 nan 0.000 0.470 493 G N 1.079 109.968 108.800 0.147 0.000 2.582 493 G HA2 0.356 4.317 3.960 0.001 0.000 0.232 493 G HA3 0.356 4.317 3.960 0.001 0.000 0.232 493 G C -0.230 174.722 174.900 0.087 0.000 1.458 493 G CA -0.249 44.913 45.100 0.104 0.000 1.062 493 G HN 0.607 nan 8.290 nan 0.000 0.566 494 T N -3.968 110.632 114.554 0.077 0.000 2.831 494 T HA 0.324 4.674 4.350 0.001 0.000 0.287 494 T C 0.473 175.213 174.700 0.067 0.000 1.070 494 T CA -0.693 61.444 62.100 0.062 0.000 1.010 494 T CB 1.515 70.414 68.868 0.052 0.000 1.264 494 T HN 0.308 nan 8.240 nan 0.000 0.532 495 N N -0.423 118.310 118.700 0.056 0.000 2.461 495 N HA 0.230 4.971 4.740 0.001 0.000 0.188 495 N C 0.970 176.514 175.510 0.057 0.000 1.134 495 N CA -0.147 52.938 53.050 0.058 0.000 0.878 495 N CB 0.075 38.591 38.487 0.048 0.000 0.972 495 N HN 0.753 nan 8.380 nan 0.000 0.456 496 G N -0.021 108.812 108.800 0.055 0.000 2.557 496 G HA2 0.563 4.524 3.960 0.001 0.000 0.292 496 G HA3 0.563 4.524 3.960 0.001 0.000 0.292 496 G C -0.519 174.419 174.900 0.064 0.000 1.237 496 G CA -0.593 44.540 45.100 0.054 0.000 0.978 496 G HN 0.158 nan 8.290 nan 0.000 0.498 497 A N 0.386 123.244 122.820 0.063 0.000 2.409 497 A HA 0.512 4.833 4.320 0.001 0.000 0.267 497 A C -0.251 177.377 177.584 0.074 0.000 1.127 497 A CA -0.282 51.799 52.037 0.073 0.000 0.795 497 A CB 0.140 19.180 19.000 0.067 0.000 1.061 497 A HN 0.566 nan 8.150 nan 0.000 0.502 498 D N 1.605 122.057 120.400 0.086 0.000 2.457 498 D HA 0.454 5.094 4.640 0.001 0.000 0.240 498 D C -0.826 175.531 176.300 0.094 0.000 1.041 498 D CA -0.157 53.891 54.000 0.080 0.000 0.861 498 D CB 1.845 42.690 40.800 0.075 0.000 1.394 498 D HN 0.379 nan 8.370 nan 0.000 0.473 499 T N 1.447 116.043 114.554 0.070 0.000 2.758 499 T HA 0.482 4.832 4.350 0.001 0.000 0.285 499 T C 0.117 174.813 174.700 -0.007 0.000 0.981 499 T CA -0.542 61.583 62.100 0.041 0.000 0.965 499 T CB 0.617 69.507 68.868 0.037 0.000 0.927 499 T HN 0.093 nan 8.240 nan 0.000 0.448 500 L N 3.272 124.473 121.223 -0.036 0.000 2.362 500 L HA 0.625 4.965 4.340 0.001 0.000 0.275 500 L C -0.116 176.687 176.870 -0.113 0.000 0.998 500 L CA -0.949 53.858 54.840 -0.054 0.000 0.820 500 L CB 2.124 44.166 42.059 -0.028 0.000 1.270 500 L HN 0.442 nan 8.230 nan 0.000 0.415 501 K N 2.432 122.749 120.400 -0.139 0.000 2.426 501 K HA 0.726 5.047 4.320 0.001 0.000 0.254 501 K C -0.622 175.823 176.600 -0.258 0.000 0.936 501 K CA -0.413 55.763 56.287 -0.186 0.000 0.801 501 K CB 1.996 34.390 32.500 -0.178 0.000 1.139 501 K HN 0.690 nan 8.250 nan 0.000 0.424 502 A N 3.204 125.876 122.820 -0.246 0.000 2.386 502 A HA 0.278 4.598 4.320 0.001 0.000 0.248 502 A C -0.756 176.653 177.584 -0.290 0.000 1.082 502 A CA -0.134 51.757 52.037 -0.244 0.000 0.789 502 A CB -0.004 18.851 19.000 -0.243 0.000 1.025 502 A HN 0.867 nan 8.150 nan 0.000 0.490 503 H N 0.262 119.280 119.070 -0.087 0.000 2.508 503 H HA 0.445 5.002 4.556 0.001 0.000 0.358 503 H C 1.454 176.746 175.328 -0.061 0.000 1.212 503 H CA 0.385 56.398 56.048 -0.059 0.000 1.356 503 H CB 1.077 30.812 29.762 -0.045 0.000 1.525 503 H HN 0.724 nan 8.280 nan 0.000 0.578 504 A N 1.574 124.438 122.820 0.072 0.000 2.024 504 A HA -0.152 4.168 4.320 0.001 0.000 0.220 504 A C 2.398 179.989 177.584 0.012 0.000 1.164 504 A CA 1.784 53.834 52.037 0.022 0.000 0.643 504 A CB -1.196 17.815 19.000 0.018 0.000 0.806 504 A HN 0.856 nan 8.150 nan 0.000 0.451 505 G N -1.299 107.520 108.800 0.031 0.000 2.679 505 G HA2 0.408 4.369 3.960 0.001 0.000 0.212 505 G HA3 0.408 4.369 3.960 0.001 0.000 0.212 505 G C 0.895 175.786 174.900 -0.015 0.000 1.137 505 G CA 0.654 45.756 45.100 0.004 0.000 0.787 505 G HN 1.731 nan 8.290 nan 0.000 0.534 506 G N -0.601 108.182 108.800 -0.028 0.000 2.907 506 G HA2 0.065 4.026 3.960 0.001 0.000 0.686 506 G HA3 0.065 4.026 3.960 0.001 0.000 0.686 506 G C -1.371 173.487 174.900 -0.070 0.000 1.115 506 G CA -0.381 44.667 45.100 -0.087 0.000 0.760 506 G HN 0.220 nan 8.290 nan 0.000 0.620 507 D N 0.209 120.513 120.400 -0.160 0.000 2.645 507 D HA 0.468 5.108 4.640 0.001 0.000 0.228 507 D C -0.511 175.611 176.300 -0.296 0.000 1.148 507 D CA -0.374 53.555 54.000 -0.118 0.000 0.860 507 D CB 1.234 41.984 40.800 -0.084 0.000 1.548 507 D HN 0.363 nan 8.370 nan 0.000 0.460 508 W N 1.424 122.449 121.300 -0.459 0.000 2.304 508 W HA 0.369 5.029 4.660 0.001 0.000 0.313 508 W C 0.050 175.996 176.519 -0.957 0.000 1.323 508 W CA -0.218 56.666 57.345 -0.769 0.000 1.223 508 W CB 0.369 29.363 29.460 -0.776 0.000 1.237 508 W HN 0.024 nan 8.180 nan 0.000 0.535 509 L N 4.892 125.580 121.223 -0.892 0.000 2.319 509 L HA 0.442 4.783 4.340 0.001 0.000 0.281 509 L C -1.043 175.489 176.870 -0.563 0.000 1.005 509 L CA -0.871 53.587 54.840 -0.636 0.000 0.828 509 L CB 0.708 42.430 42.059 -0.562 0.000 1.227 509 L HN 0.177 nan 8.230 nan 0.000 0.415 510 F N 1.486 121.414 119.950 -0.037 0.000 2.359 510 F HA 0.344 4.871 4.527 0.001 0.000 0.370 510 F C 1.300 177.118 175.800 0.030 0.000 1.077 510 F CA -0.761 57.240 58.000 0.000 0.000 1.136 510 F CB 1.382 40.393 39.000 0.020 0.000 1.387 510 F HN 0.542 nan 8.300 nan 0.000 0.468 511 G N 2.814 111.737 108.800 0.204 0.000 2.422 511 G HA2 -0.063 3.897 3.960 0.001 0.000 0.218 511 G HA3 -0.063 3.897 3.960 0.001 0.000 0.218 511 G C 0.910 175.909 174.900 0.165 0.000 1.146 511 G CA 0.411 45.610 45.100 0.165 0.000 0.769 511 G HN 0.591 nan 8.290 nan 0.000 0.547 512 L N -1.187 120.147 121.223 0.184 0.000 7.603 512 L HA -0.196 4.144 4.340 0.001 0.000 0.092 512 L C -0.278 176.670 176.870 0.129 0.000 1.252 512 L CA 0.795 55.720 54.840 0.142 0.000 1.482 512 L CB -1.085 41.037 42.059 0.106 0.000 2.830 512 L HN 0.181 nan 8.230 nan 0.000 1.159 513 D N 0.508 120.970 120.400 0.105 0.000 2.361 513 D HA 0.478 5.119 4.640 0.001 0.000 0.239 513 D C 0.594 176.950 176.300 0.094 0.000 1.200 513 D CA 1.281 55.339 54.000 0.097 0.000 0.915 513 D CB 0.854 41.701 40.800 0.077 0.000 1.170 513 D HN 0.985 nan 8.370 nan 0.000 0.444 514 G N 0.681 109.536 108.800 0.090 0.000 2.662 514 G HA2 -0.173 3.787 3.960 0.001 0.000 0.686 514 G HA3 -0.173 3.787 3.960 0.001 0.000 0.686 514 G C -0.811 174.147 174.900 0.097 0.000 1.271 514 G CA -0.968 44.182 45.100 0.084 0.000 0.816 514 G HN 0.433 nan 8.290 nan 0.000 0.608 515 N N 2.029 120.781 118.700 0.087 0.000 2.415 515 N HA 0.372 5.113 4.740 0.001 0.000 0.246 515 N C -0.504 175.069 175.510 0.105 0.000 1.078 515 N CA -0.133 52.973 53.050 0.093 0.000 0.942 515 N CB 0.815 39.345 38.487 0.071 0.000 1.140 515 N HN 0.511 nan 8.380 nan 0.000 0.501 516 D N -0.071 120.408 120.400 0.131 0.000 2.217 516 D HA 0.092 4.732 4.640 0.001 0.000 0.248 516 D C -0.317 176.107 176.300 0.207 0.000 1.008 516 D CA -0.212 53.880 54.000 0.153 0.000 0.914 516 D CB 1.729 42.616 40.800 0.146 0.000 1.182 516 D HN 0.476 nan 8.370 nan 0.000 0.451 517 H N 1.420 120.540 119.070 0.084 0.000 2.638 517 H HA 0.313 4.870 4.556 0.001 0.000 0.303 517 H C -1.073 174.315 175.328 0.100 0.000 1.034 517 H CA -0.898 55.201 56.048 0.085 0.000 1.225 517 H CB 0.566 30.366 29.762 0.064 0.000 1.394 517 H HN -0.007 nan 8.280 nan 0.000 0.477 518 L N 7.222 128.583 121.223 0.231 0.000 2.265 518 L HA 0.310 4.651 4.340 0.001 0.000 0.289 518 L C -0.333 176.649 176.870 0.187 0.000 1.033 518 L CA -0.198 54.747 54.840 0.174 0.000 0.814 518 L CB 1.182 43.440 42.059 0.333 0.000 1.203 518 L HN 0.609 nan 8.230 nan 0.000 0.423 519 I N 3.308 123.878 120.570 -0.000 0.000 2.359 519 I HA 0.392 4.563 4.170 0.001 0.000 0.284 519 I C 1.037 177.182 176.117 0.046 0.000 1.018 519 I CA -0.453 60.845 61.300 -0.003 0.000 1.173 519 I CB 1.186 39.070 38.000 -0.193 0.000 1.326 519 I HN 0.664 nan 8.210 nan 0.000 0.462 520 G N 3.867 112.818 108.800 0.251 0.000 2.684 520 G HA2 0.517 4.477 3.960 0.001 0.000 0.255 520 G HA3 0.517 4.477 3.960 0.001 0.000 0.255 520 G C 0.184 175.097 174.900 0.021 0.000 1.219 520 G CA -0.033 45.146 45.100 0.131 0.000 0.901 520 G HN 0.689 nan 8.290 nan 0.000 0.548 521 G N -2.379 106.400 108.800 -0.035 0.000 3.175 521 G HA2 0.493 4.453 3.960 0.001 0.000 0.255 521 G HA3 0.493 4.453 3.960 0.001 0.000 0.255 521 G C 1.030 175.922 174.900 -0.013 0.000 1.352 521 G CA 0.330 45.411 45.100 -0.031 0.000 1.037 521 G HN 1.205 nan 8.290 nan 0.000 0.556 522 V N -1.549 118.356 119.914 -0.015 0.000 3.078 522 V HA 0.266 4.386 4.120 0.001 0.000 0.265 522 V C 1.361 177.439 176.094 -0.025 0.000 1.122 522 V CA 0.934 63.226 62.300 -0.013 0.000 1.141 522 V CB -1.276 30.541 31.823 -0.011 0.000 0.735 522 V HN 0.730 nan 8.190 nan 0.000 0.498 523 G N 0.474 109.251 108.800 -0.039 0.000 2.588 523 G HA2 0.317 4.277 3.960 0.001 0.000 0.281 523 G HA3 0.317 4.277 3.960 0.001 0.000 0.281 523 G C -0.476 174.374 174.900 -0.084 0.000 1.236 523 G CA -0.797 44.270 45.100 -0.055 0.000 0.969 523 G HN 0.378 nan 8.290 nan 0.000 0.504 524 N N 1.449 120.089 118.700 -0.100 0.000 2.401 524 N HA 0.221 4.961 4.740 0.001 0.000 0.255 524 N C -0.691 174.679 175.510 -0.234 0.000 1.110 524 N CA -0.020 52.946 53.050 -0.141 0.000 0.949 524 N CB 1.097 39.511 38.487 -0.121 0.000 1.110 524 N HN 0.357 nan 8.380 nan 0.000 0.490 525 D N 0.463 120.671 120.400 -0.319 0.000 2.268 525 D HA 0.380 5.021 4.640 0.001 0.000 0.249 525 D C -0.149 175.703 176.300 -0.746 0.000 1.008 525 D CA -0.423 53.235 54.000 -0.570 0.000 0.939 525 D CB 2.210 42.532 40.800 -0.797 0.000 1.170 525 D HN 0.007 nan 8.370 nan 0.000 0.468 526 V N 1.704 121.000 119.914 -1.030 0.000 2.378 526 V HA 0.305 4.426 4.120 0.001 0.000 0.288 526 V C -0.638 174.818 176.094 -1.064 0.000 1.016 526 V CA -0.735 60.861 62.300 -1.174 0.000 0.840 526 V CB 0.600 31.219 31.823 -2.007 0.000 0.994 526 V HN 0.342 nan 8.190 nan 0.000 0.431 527 F N 3.734 123.173 119.950 -0.852 0.000 2.385 527 F HA 0.543 5.070 4.527 0.001 0.000 0.360 527 F C 0.218 175.706 175.800 -0.520 0.000 1.122 527 F CA -0.681 56.942 58.000 -0.627 0.000 1.090 527 F CB 1.765 40.422 39.000 -0.572 0.000 1.150 527 F HN 0.211 nan 8.300 nan 0.000 0.472 528 V N 4.039 123.809 119.914 -0.239 0.000 2.266 528 V HA 0.235 4.356 4.120 0.001 0.000 0.271 528 V C 0.983 177.099 176.094 0.037 0.000 1.032 528 V CA -0.439 61.796 62.300 -0.109 0.000 0.806 528 V CB 0.645 32.503 31.823 0.058 0.000 1.052 528 V HN 1.036 nan 8.190 nan 0.000 0.449 529 G N 2.746 111.565 108.800 0.032 0.000 2.469 529 G HA2 0.249 4.209 3.960 0.001 0.000 0.219 529 G HA3 0.249 4.209 3.960 0.001 0.000 0.219 529 G C 0.922 175.927 174.900 0.175 0.000 1.150 529 G CA 1.093 46.277 45.100 0.140 0.000 0.763 529 G HN 1.484 nan 8.290 nan 0.000 0.561 530 G N -1.083 107.830 108.800 0.188 0.000 2.698 530 G HA2 0.341 4.302 3.960 0.001 0.000 0.225 530 G HA3 0.341 4.302 3.960 0.001 0.000 0.225 530 G C 0.304 175.345 174.900 0.235 0.000 1.345 530 G CA 0.041 45.267 45.100 0.210 0.000 0.871 530 G HN 1.521 nan 8.290 nan 0.000 0.540 531 A N -0.497 122.442 122.820 0.199 0.000 2.492 531 A HA 0.782 5.103 4.320 0.001 0.000 0.236 531 A C 1.858 179.539 177.584 0.160 0.000 1.078 531 A CA 2.322 54.464 52.037 0.176 0.000 0.773 531 A CB -0.331 18.747 19.000 0.131 0.000 1.023 531 A HN 3.024 nan 8.150 nan 0.000 0.504 532 G N 0.560 109.443 108.800 0.138 0.000 2.707 532 G HA2 -0.059 3.901 3.960 0.001 0.000 0.686 532 G HA3 -0.059 3.901 3.960 0.001 0.000 0.686 532 G C -0.766 174.219 174.900 0.142 0.000 1.315 532 G CA -0.339 44.833 45.100 0.120 0.000 0.832 532 G HN 1.088 nan 8.290 nan 0.000 0.573 533 N N 2.078 120.847 118.700 0.115 0.000 2.469 533 N HA 0.358 5.099 4.740 0.001 0.000 0.239 533 N C -0.676 174.908 175.510 0.123 0.000 1.053 533 N CA -0.203 52.918 53.050 0.118 0.000 0.937 533 N CB 0.881 39.414 38.487 0.077 0.000 1.163 533 N HN 0.522 nan 8.380 nan 0.000 0.509 534 D N 1.092 121.590 120.400 0.163 0.000 2.181 534 D HA 0.207 4.848 4.640 0.001 0.000 0.248 534 D C -0.127 176.259 176.300 0.144 0.000 1.020 534 D CA -0.503 53.596 54.000 0.164 0.000 0.891 534 D CB 2.309 43.229 40.800 0.200 0.000 1.187 534 D HN 0.154 nan 8.370 nan 0.000 0.443 535 L N 1.988 123.295 121.223 0.139 0.000 2.272 535 L HA 0.410 4.750 4.340 0.001 0.000 0.289 535 L C -0.965 176.033 176.870 0.214 0.000 1.032 535 L CA -0.151 54.760 54.840 0.119 0.000 0.810 535 L CB 0.865 42.927 42.059 0.006 0.000 1.205 535 L HN 0.313 nan 8.230 nan 0.000 0.422 536 M N 4.768 124.450 119.600 0.137 0.000 2.259 536 M HA 0.461 4.941 4.480 0.001 0.000 0.304 536 M C -0.851 175.450 176.300 0.001 0.000 1.019 536 M CA -0.329 55.030 55.300 0.098 0.000 0.922 536 M CB 2.019 34.635 32.600 0.026 0.000 1.600 536 M HN 0.495 nan 8.290 nan 0.000 0.433 537 E N 0.962 121.207 120.200 0.075 0.000 2.165 537 E HA 0.245 4.595 4.350 0.001 0.000 0.266 537 E C 0.231 176.911 176.600 0.135 0.000 0.889 537 E CA -0.351 56.103 56.400 0.091 0.000 0.756 537 E CB 2.161 31.952 29.700 0.152 0.000 1.131 537 E HN 0.722 nan 8.360 nan 0.000 0.411 538 S N 3.150 118.922 115.700 0.121 0.000 2.353 538 S HA -0.136 4.334 4.470 0.001 0.000 0.222 538 S C 1.701 176.434 174.600 0.222 0.000 1.035 538 S CA 1.958 60.293 58.200 0.226 0.000 1.025 538 S CB -0.458 62.864 63.200 0.203 0.000 0.902 538 S HN 0.988 nan 8.310 nan 0.000 0.440 539 G N -0.021 108.856 108.800 0.129 0.000 2.184 539 G HA2 0.083 4.044 3.960 0.001 0.000 0.264 539 G HA3 0.083 4.044 3.960 0.001 0.000 0.264 539 G C 1.362 176.291 174.900 0.048 0.000 0.975 539 G CA 0.596 45.743 45.100 0.079 0.000 0.642 539 G HN 1.904 nan 8.290 nan 0.000 0.536 540 G N -2.078 106.751 108.800 0.049 0.000 2.434 540 G HA2 0.553 4.514 3.960 0.001 0.000 0.671 540 G HA3 0.553 4.514 3.960 0.001 0.000 0.671 540 G C 1.043 175.944 174.900 0.002 0.000 1.280 540 G CA 0.925 46.035 45.100 0.015 0.000 0.975 540 G HN 2.605 nan 8.290 nan 0.000 0.510 541 G N -1.068 107.720 108.800 -0.020 0.000 2.697 541 G HA2 0.408 4.369 3.960 0.001 0.000 0.240 541 G HA3 0.408 4.369 3.960 0.001 0.000 0.240 541 G C 0.454 175.323 174.900 -0.052 0.000 1.346 541 G CA 1.078 46.155 45.100 -0.037 0.000 0.887 541 G HN 2.612 nan 8.290 nan 0.000 0.569 542 A N 0.507 123.286 122.820 -0.068 0.000 2.322 542 A HA 0.639 4.959 4.320 0.001 0.000 0.327 542 A C -0.353 177.169 177.584 -0.104 0.000 1.394 542 A CA -0.198 51.788 52.037 -0.085 0.000 0.921 542 A CB 0.580 19.532 19.000 -0.081 0.000 1.153 542 A HN 0.569 nan 8.150 nan 0.000 0.523 543 D N 1.347 121.693 120.400 -0.089 0.000 2.228 543 D HA 0.544 5.185 4.640 0.001 0.000 0.247 543 D C -0.272 175.921 176.300 -0.178 0.000 0.995 543 D CA 0.231 54.139 54.000 -0.154 0.000 0.903 543 D CB 1.850 42.595 40.800 -0.092 0.000 1.205 543 D HN 0.363 nan 8.370 nan 0.000 0.459 544 T N 1.319 115.668 114.554 -0.341 0.000 2.794 544 T HA 0.482 4.833 4.350 0.001 0.000 0.280 544 T C -0.390 174.013 174.700 -0.495 0.000 0.987 544 T CA -0.462 61.462 62.100 -0.295 0.000 0.993 544 T CB 0.339 68.997 68.868 -0.350 0.000 0.939 544 T HN 0.085 nan 8.240 nan 0.000 0.449 545 F N 2.985 122.828 119.950 -0.179 0.000 2.427 545 F HA 0.586 5.113 4.527 0.001 0.000 0.348 545 F C -0.242 175.112 175.800 -0.744 0.000 1.125 545 F CA -1.139 56.628 58.000 -0.389 0.000 0.989 545 F CB 1.303 40.141 39.000 -0.270 0.000 1.165 545 F HN 0.285 nan 8.300 nan 0.000 0.442 546 L N 4.991 125.746 121.223 -0.780 0.000 2.341 546 L HA 0.725 5.066 4.340 0.001 0.000 0.278 546 L C -1.744 174.541 176.870 -0.975 0.000 1.005 546 L CA -0.562 53.852 54.840 -0.710 0.000 0.818 546 L CB 0.762 42.619 42.059 -0.336 0.000 1.259 546 L HN 0.380 nan 8.230 nan 0.000 0.418 547 F N 4.956 124.634 119.950 -0.452 0.000 2.539 547 F HA 0.558 5.086 4.527 0.001 0.000 0.318 547 F C -0.036 175.610 175.800 -0.257 0.000 1.135 547 F CA -0.607 57.037 58.000 -0.592 0.000 0.915 547 F CB 1.698 39.844 39.000 -1.423 0.000 1.176 547 F HN 0.628 nan 8.300 nan 0.000 0.440 548 N N 1.870 120.678 118.700 0.179 0.000 2.367 548 N HA 0.562 5.302 4.740 0.001 0.000 0.278 548 N C -0.042 175.684 175.510 0.361 0.000 1.117 548 N CA 0.289 53.497 53.050 0.263 0.000 0.867 548 N CB 2.410 41.027 38.487 0.216 0.000 1.649 548 N HN 0.887 nan 8.380 nan 0.000 0.479 549 G N 1.603 110.600 108.800 0.329 0.000 2.552 549 G HA2 -0.122 3.839 3.960 0.001 0.000 0.265 549 G HA3 -0.122 3.839 3.960 0.001 0.000 0.265 549 G C -0.180 174.889 174.900 0.283 0.000 1.234 549 G CA 0.057 45.320 45.100 0.272 0.000 0.944 549 G HN 1.195 nan 8.290 nan 0.000 0.568 550 A N 0.104 123.034 122.820 0.183 0.000 3.015 550 A HA 0.628 4.949 4.320 0.001 0.000 0.293 550 A C 0.848 178.483 177.584 0.086 0.000 1.572 550 A CA 0.697 52.775 52.037 0.069 0.000 1.274 550 A CB -0.951 18.078 19.000 0.048 0.000 1.156 550 A HN 1.742 nan 8.150 nan 0.000 0.562 551 F N 0.614 120.663 119.950 0.166 0.000 2.748 551 F HA 0.453 4.980 4.527 0.001 0.000 0.299 551 F C 0.904 176.812 175.800 0.180 0.000 1.154 551 F CA 0.134 58.252 58.000 0.197 0.000 1.446 551 F CB -0.384 38.788 39.000 0.285 0.000 1.112 551 F HN 0.754 nan 8.300 nan 0.000 0.584 552 G N 0.961 109.677 108.800 -0.139 0.000 2.582 552 G HA2 -0.078 3.883 3.960 0.001 0.000 0.222 552 G HA3 -0.078 3.883 3.960 0.001 0.000 0.222 552 G C -1.321 173.564 174.900 -0.025 0.000 1.311 552 G CA -0.551 44.543 45.100 -0.011 0.000 0.915 552 G HN 0.372 nan 8.290 nan 0.000 0.528 553 Q N 1.321 121.158 119.800 0.062 0.000 2.465 553 Q HA 0.405 4.746 4.340 0.001 0.000 0.237 553 Q C -0.952 175.136 176.000 0.146 0.000 1.051 553 Q CA -0.470 55.386 55.803 0.087 0.000 0.874 553 Q CB 1.281 30.042 28.738 0.039 0.000 1.207 553 Q HN 0.569 nan 8.270 nan 0.000 0.508 554 D N 2.122 122.657 120.400 0.225 0.000 2.225 554 D HA 0.352 4.993 4.640 0.001 0.000 0.249 554 D C 0.053 176.416 176.300 0.104 0.000 1.052 554 D CA -0.377 53.749 54.000 0.210 0.000 0.909 554 D CB 1.532 42.542 40.800 0.350 0.000 1.186 554 D HN 0.196 nan 8.370 nan 0.000 0.431 555 R N 0.590 121.133 120.500 0.072 0.000 2.445 555 R HA 0.558 4.899 4.340 0.001 0.000 0.308 555 R C -0.885 175.398 176.300 -0.028 0.000 0.961 555 R CA -0.922 55.182 56.100 0.006 0.000 0.862 555 R CB 1.888 32.188 30.300 0.001 0.000 1.144 555 R HN 0.121 nan 8.270 nan 0.000 0.447 556 V N 3.900 123.742 119.914 -0.121 0.000 2.384 556 V HA 0.318 4.438 4.120 0.001 0.000 0.287 556 V C -0.092 175.902 176.094 -0.167 0.000 1.020 556 V CA -0.792 61.362 62.300 -0.243 0.000 0.850 556 V CB 1.827 33.316 31.823 -0.558 0.000 0.987 556 V HN 0.466 nan 8.190 nan 0.000 0.436 557 V N 3.642 123.497 119.914 -0.098 0.000 2.483 557 V HA 0.753 4.874 4.120 0.001 0.000 0.295 557 V C 1.063 177.163 176.094 0.009 0.000 1.035 557 V CA 0.543 62.828 62.300 -0.026 0.000 0.896 557 V CB 1.232 33.064 31.823 0.016 0.000 0.986 557 V HN 1.175 nan 8.190 nan 0.000 0.447 558 G N 3.992 112.812 108.800 0.034 0.000 2.147 558 G HA2 -0.289 3.671 3.960 0.001 0.000 0.244 558 G HA3 -0.289 3.671 3.960 0.001 0.000 0.244 558 G C -0.049 174.896 174.900 0.074 0.000 1.005 558 G CA 0.280 45.412 45.100 0.052 0.000 0.713 558 G HN 0.806 nan 8.290 nan 0.000 0.515 559 F N 2.917 122.810 119.950 -0.096 0.000 2.538 559 F HA 0.519 5.046 4.527 0.001 0.000 0.371 559 F C 1.084 176.852 175.800 -0.052 0.000 1.087 559 F CA 0.942 58.877 58.000 -0.108 0.000 1.250 559 F CB 0.791 39.649 39.000 -0.236 0.000 1.110 559 F HN 0.372 nan 8.300 nan 0.000 0.570 560 T N 1.044 115.244 114.554 -0.591 0.000 2.742 560 T HA 0.253 4.603 4.350 0.001 0.000 0.282 560 T C 0.885 175.255 174.700 -0.549 0.000 1.025 560 T CA -0.242 61.626 62.100 -0.386 0.000 1.020 560 T CB 1.192 69.945 68.868 -0.191 0.000 1.317 560 T HN 0.495 nan 8.240 nan 0.000 0.538 561 S N 1.463 117.013 115.700 -0.249 0.000 2.393 561 S HA -0.218 4.252 4.470 0.001 0.000 0.234 561 S C 1.662 176.148 174.600 -0.190 0.000 1.064 561 S CA 2.474 60.575 58.200 -0.165 0.000 1.088 561 S CB -0.957 62.186 63.200 -0.094 0.000 0.939 561 S HN 0.924 nan 8.310 nan 0.000 0.448 562 N N 0.694 119.275 118.700 -0.198 0.000 2.322 562 N HA 0.091 4.832 4.740 0.001 0.000 0.194 562 N C -0.680 174.722 175.510 -0.180 0.000 1.126 562 N CA 0.049 53.009 53.050 -0.150 0.000 0.845 562 N CB -0.211 38.213 38.487 -0.105 0.000 0.976 562 N HN 0.266 nan 8.380 nan 0.000 0.475 563 D N 0.530 120.731 120.400 -0.332 0.000 2.340 563 D HA 0.202 4.842 4.640 0.001 0.000 0.251 563 D C -0.508 175.740 176.300 -0.087 0.000 1.080 563 D CA -0.119 53.713 54.000 -0.280 0.000 0.971 563 D CB 1.620 42.101 40.800 -0.532 0.000 1.137 563 D HN 0.111 nan 8.370 nan 0.000 0.475 564 K N 1.050 121.528 120.400 0.130 0.000 2.397 564 K HA 0.446 4.766 4.320 0.001 0.000 0.253 564 K C -1.207 175.573 176.600 0.301 0.000 0.932 564 K CA -0.600 55.791 56.287 0.172 0.000 0.795 564 K CB 1.108 33.641 32.500 0.055 0.000 1.159 564 K HN 0.306 nan 8.250 nan 0.000 0.424 565 L N 3.737 125.114 121.223 0.257 0.000 2.309 565 L HA 0.549 4.890 4.340 0.001 0.000 0.282 565 L C -0.682 176.173 176.870 -0.025 0.000 1.036 565 L CA -1.274 53.656 54.840 0.150 0.000 0.806 565 L CB 1.832 43.975 42.059 0.140 0.000 1.220 565 L HN 0.292 nan 8.230 nan 0.000 0.429 566 V N 3.151 122.945 119.914 -0.200 0.000 2.443 566 V HA 0.408 4.528 4.120 0.001 0.000 0.293 566 V C -0.720 175.159 176.094 -0.358 0.000 1.021 566 V CA -0.363 61.789 62.300 -0.247 0.000 0.848 566 V CB 1.404 33.113 31.823 -0.191 0.000 0.998 566 V HN 0.392 nan 8.190 nan 0.000 0.424 567 F N 5.916 125.786 119.950 -0.134 0.000 2.426 567 F HA 0.768 5.296 4.527 0.001 0.000 0.348 567 F C -0.300 175.424 175.800 -0.127 0.000 1.124 567 F CA -0.733 57.133 58.000 -0.224 0.000 1.008 567 F CB 1.800 40.449 39.000 -0.585 0.000 1.139 567 F HN 0.309 nan 8.300 nan 0.000 0.452 568 L N 2.909 124.201 121.223 0.115 0.000 2.516 568 L HA 0.670 5.011 4.340 0.001 0.000 0.267 568 L C 0.066 177.103 176.870 0.279 0.000 0.957 568 L CA -0.400 54.552 54.840 0.186 0.000 0.860 568 L CB 1.720 43.864 42.059 0.142 0.000 1.265 568 L HN 0.726 nan 8.230 nan 0.000 0.403 569 G N 3.611 112.654 108.800 0.406 0.000 2.298 569 G HA2 -0.025 3.936 3.960 0.001 0.000 0.287 569 G HA3 -0.025 3.936 3.960 0.001 0.000 0.287 569 G C -0.227 174.818 174.900 0.243 0.000 1.075 569 G CA 0.497 45.791 45.100 0.323 0.000 0.960 569 G HN 1.452 nan 8.290 nan 0.000 0.502 570 V N -4.002 116.034 119.914 0.203 0.000 2.960 570 V HA 0.865 4.985 4.120 0.001 0.000 0.315 570 V C 0.271 176.481 176.094 0.194 0.000 1.087 570 V CA -1.574 60.861 62.300 0.225 0.000 0.982 570 V CB 2.000 33.941 31.823 0.198 0.000 1.039 570 V HN 0.265 nan 8.190 nan 0.000 0.437 571 Q N 1.188 121.118 119.800 0.217 0.000 2.373 571 Q HA 0.424 4.764 4.340 0.001 0.000 0.255 571 Q C 1.136 177.279 176.000 0.238 0.000 0.980 571 Q CA 1.011 56.919 55.803 0.175 0.000 0.882 571 Q CB 0.844 29.657 28.738 0.125 0.000 1.249 571 Q HN 1.890 nan 8.270 nan 0.000 0.438 572 G N 0.973 109.874 108.800 0.170 0.000 2.160 572 G HA2 -0.221 3.739 3.960 0.001 0.000 0.244 572 G HA3 -0.221 3.739 3.960 0.001 0.000 0.244 572 G C -0.176 174.899 174.900 0.291 0.000 1.022 572 G CA 0.082 45.296 45.100 0.190 0.000 0.741 572 G HN 0.382 nan 8.290 nan 0.000 0.508 573 V N 1.985 122.043 119.914 0.241 0.000 2.320 573 V HA 0.429 4.549 4.120 0.001 0.000 0.265 573 V C 1.144 177.348 176.094 0.183 0.000 1.048 573 V CA -0.534 61.921 62.300 0.258 0.000 0.865 573 V CB 0.979 32.936 31.823 0.222 0.000 1.043 573 V HN 0.364 nan 8.190 nan 0.000 0.474 574 L N 6.704 128.024 121.223 0.161 0.000 2.439 574 L HA 0.319 4.659 4.340 0.001 0.000 0.269 574 L C -2.006 174.930 176.870 0.110 0.000 1.179 574 L CA -1.755 53.143 54.840 0.097 0.000 0.828 574 L CB 0.530 42.619 42.059 0.050 0.000 1.106 574 L HN 0.360 nan 8.230 nan 0.000 0.467 575 P HA -0.074 nan 4.420 nan 0.000 0.258 575 P C -0.018 177.337 177.300 0.091 0.000 1.172 575 P CA 0.685 63.847 63.100 0.105 0.000 0.762 575 P CB 0.177 31.933 31.700 0.094 0.000 0.764 576 N N 0.771 119.530 118.700 0.099 0.000 2.850 576 N HA -0.175 4.565 4.740 0.001 0.000 0.249 576 N C -0.600 174.963 175.510 0.087 0.000 1.060 576 N CA 0.810 53.913 53.050 0.088 0.000 0.825 576 N CB -1.660 36.870 38.487 0.072 0.000 1.132 576 N HN 0.424 nan 8.380 nan 0.000 0.564 577 D N 1.123 121.589 120.400 0.111 0.000 2.533 577 D HA 0.049 4.690 4.640 0.001 0.000 0.236 577 D C 0.537 176.921 176.300 0.139 0.000 1.137 577 D CA 0.520 54.595 54.000 0.126 0.000 0.867 577 D CB 0.417 41.364 40.800 0.244 0.000 1.170 577 D HN 0.406 nan 8.370 nan 0.000 0.474 578 D N 0.590 121.046 120.400 0.093 0.000 2.487 578 D HA 0.106 4.747 4.640 0.001 0.000 0.262 578 D C 1.202 177.586 176.300 0.140 0.000 1.130 578 D CA -0.742 53.333 54.000 0.126 0.000 1.038 578 D CB -0.084 40.768 40.800 0.086 0.000 1.142 578 D HN 0.315 nan 8.370 nan 0.000 0.575 579 F N -0.062 119.942 119.950 0.089 0.000 2.161 579 F HA -0.028 4.500 4.527 0.001 0.000 0.300 579 F C 1.967 177.778 175.800 0.017 0.000 1.089 579 F CA 0.923 58.965 58.000 0.069 0.000 1.282 579 F CB -0.476 38.557 39.000 0.056 0.000 1.010 579 F HN 0.095 nan 8.300 nan 0.000 0.485 580 R N 1.167 121.090 120.500 -0.963 0.000 2.127 580 R HA -0.098 4.243 4.340 0.001 0.000 0.238 580 R C 2.461 178.537 176.300 -0.374 0.000 1.134 580 R CA 1.204 56.853 56.100 -0.752 0.000 0.975 580 R CB -0.967 28.905 30.300 -0.714 0.000 0.865 580 R HN 0.500 nan 8.270 nan 0.000 0.447 581 A N 0.436 123.078 122.820 -0.298 0.000 2.125 581 A HA -0.153 4.167 4.320 0.001 0.000 0.219 581 A C 0.921 178.167 177.584 -0.564 0.000 1.156 581 A CA 1.342 53.162 52.037 -0.361 0.000 0.671 581 A CB -0.303 18.497 19.000 -0.333 0.000 0.794 581 A HN 0.398 nan 8.150 nan 0.000 0.459 582 H N -2.068 116.820 119.070 -0.303 0.000 2.923 582 H HA 0.581 5.137 4.556 0.001 0.000 0.268 582 H C 0.315 175.445 175.328 -0.329 0.000 1.148 582 H CA 0.363 56.145 56.048 -0.444 0.000 1.146 582 H CB 0.623 29.867 29.762 -0.864 0.000 1.607 582 H HN 0.458 nan 8.280 nan 0.000 0.566 583 A N 0.848 123.588 122.820 -0.133 0.000 2.342 583 A HA 0.728 5.048 4.320 0.001 0.000 0.323 583 A C -0.233 177.305 177.584 -0.075 0.000 1.125 583 A CA -0.323 51.681 52.037 -0.055 0.000 0.785 583 A CB 1.040 20.095 19.000 0.091 0.000 1.221 583 A HN 0.264 nan 8.150 nan 0.000 0.463 584 S N 1.599 117.266 115.700 -0.056 0.000 2.671 584 S HA 0.793 5.264 4.470 0.001 0.000 0.277 584 S C -0.765 173.815 174.600 -0.034 0.000 1.165 584 S CA -0.874 57.295 58.200 -0.051 0.000 0.822 584 S CB 1.145 64.305 63.200 -0.067 0.000 1.150 584 S HN 0.543 nan 8.310 nan 0.000 0.479 585 M N 2.052 121.634 119.600 -0.031 0.000 2.209 585 M HA 0.482 4.963 4.480 0.001 0.000 0.355 585 M C -1.206 175.076 176.300 -0.030 0.000 1.171 585 M CA -0.569 54.715 55.300 -0.026 0.000 1.069 585 M CB 1.146 33.735 32.600 -0.018 0.000 1.622 585 M HN 0.597 nan 8.290 nan 0.000 0.459 586 V N 2.857 122.753 119.914 -0.029 0.000 2.380 586 V HA 0.661 4.782 4.120 0.001 0.000 0.286 586 V C 0.757 176.837 176.094 -0.023 0.000 1.015 586 V CA 0.010 62.293 62.300 -0.028 0.000 0.834 586 V CB 0.608 32.414 31.823 -0.030 0.000 1.009 586 V HN 1.163 nan 8.190 nan 0.000 0.428 587 G N 4.598 113.386 108.800 -0.020 0.000 2.531 587 G HA2 -0.256 3.704 3.960 0.001 0.000 0.274 587 G HA3 -0.256 3.704 3.960 0.001 0.000 0.274 587 G C 0.517 175.408 174.900 -0.015 0.000 1.159 587 G CA 0.515 45.605 45.100 -0.017 0.000 0.969 587 G HN 0.536 nan 8.290 nan 0.000 0.554 588 Q N 1.608 121.400 119.800 -0.014 0.000 2.360 588 Q HA 0.166 4.506 4.340 0.001 0.000 0.202 588 Q C -0.196 175.794 176.000 -0.016 0.000 0.915 588 Q CA 0.638 56.434 55.803 -0.012 0.000 0.943 588 Q CB 0.454 29.186 28.738 -0.009 0.000 1.064 588 Q HN 0.593 nan 8.270 nan 0.000 0.511 589 D N 0.676 121.062 120.400 -0.023 0.000 2.248 589 D HA 0.212 4.852 4.640 0.001 0.000 0.246 589 D C -0.411 175.866 176.300 -0.039 0.000 1.027 589 D CA -0.189 53.789 54.000 -0.035 0.000 0.853 589 D CB 1.750 42.527 40.800 -0.039 0.000 1.243 589 D HN -0.253 nan 8.370 nan 0.000 0.462 590 T N 1.035 115.557 114.554 -0.053 0.000 2.780 590 T HA 0.354 4.704 4.350 0.001 0.000 0.294 590 T C 0.213 174.873 174.700 -0.068 0.000 0.949 590 T CA -0.437 61.631 62.100 -0.053 0.000 1.074 590 T CB 0.770 69.602 68.868 -0.060 0.000 0.910 590 T HN 0.011 nan 8.240 nan 0.000 0.501 591 V N 5.186 125.069 119.914 -0.051 0.000 2.513 591 V HA 0.517 4.637 4.120 0.001 0.000 0.299 591 V C -0.324 175.738 176.094 -0.052 0.000 1.035 591 V CA -0.939 61.330 62.300 -0.050 0.000 0.889 591 V CB 1.504 33.301 31.823 -0.043 0.000 0.988 591 V HN 0.676 nan 8.190 nan 0.000 0.440 592 L N 5.009 126.207 121.223 -0.041 0.000 2.325 592 L HA 0.580 4.921 4.340 0.001 0.000 0.281 592 L C -0.024 176.791 176.870 -0.091 0.000 1.004 592 L CA -0.177 54.614 54.840 -0.083 0.000 0.823 592 L CB 1.434 43.482 42.059 -0.019 0.000 1.236 592 L HN 0.517 nan 8.230 nan 0.000 0.415 593 K N 3.351 123.562 120.400 -0.316 0.000 2.270 593 K HA 0.647 4.967 4.320 0.001 0.000 0.255 593 K C -1.502 174.760 176.600 -0.564 0.000 0.936 593 K CA -0.531 55.620 56.287 -0.226 0.000 0.809 593 K CB 2.029 34.439 32.500 -0.150 0.000 1.131 593 K HN 0.264 nan 8.250 nan 0.000 0.427 594 F N 1.333 121.285 119.950 0.004 0.000 2.771 594 F HA 0.252 4.779 4.527 0.001 0.000 0.365 594 F C 0.873 176.662 175.800 -0.018 0.000 1.169 594 F CA -0.303 57.693 58.000 -0.006 0.000 1.093 594 F CB 1.517 40.524 39.000 0.012 0.000 1.363 594 F HN 0.899 nan 8.300 nan 0.000 0.496 595 G N 2.103 110.963 108.800 0.101 0.000 2.583 595 G HA2 -0.279 3.682 3.960 0.001 0.000 0.292 595 G HA3 -0.279 3.682 3.960 0.001 0.000 0.292 595 G C 1.242 176.139 174.900 -0.005 0.000 1.203 595 G CA 0.125 45.251 45.100 0.043 0.000 0.987 595 G HN 1.148 nan 8.290 nan 0.000 0.554 596 G N 0.277 109.060 108.800 -0.029 0.000 3.088 596 G HA2 0.391 4.352 3.960 0.001 0.000 0.212 596 G HA3 0.391 4.352 3.960 0.001 0.000 0.212 596 G C 0.219 175.053 174.900 -0.110 0.000 1.173 596 G CA 1.089 46.156 45.100 -0.055 0.000 0.779 596 G HN 0.664 nan 8.290 nan 0.000 0.540 597 D N 0.247 120.539 120.400 -0.181 0.000 2.268 597 D HA 0.540 5.181 4.640 0.001 0.000 0.249 597 D C -0.057 176.135 176.300 -0.179 0.000 1.008 597 D CA 0.045 53.784 54.000 -0.435 0.000 0.939 597 D CB 1.947 42.047 40.800 -1.166 0.000 1.170 597 D HN 0.221 nan 8.370 nan 0.000 0.468 598 S N -0.859 114.813 115.700 -0.048 0.000 2.550 598 S HA 0.610 5.080 4.470 0.001 0.000 0.270 598 S C -1.279 173.516 174.600 0.325 0.000 1.145 598 S CA -0.807 57.509 58.200 0.194 0.000 0.852 598 S CB 1.402 64.635 63.200 0.055 0.000 1.119 598 S HN 0.147 nan 8.310 nan 0.000 0.465 599 V N 1.653 121.678 119.914 0.185 0.000 2.540 599 V HA 0.654 4.774 4.120 0.001 0.000 0.302 599 V C -0.419 175.651 176.094 -0.041 0.000 1.035 599 V CA -0.502 61.796 62.300 -0.002 0.000 0.873 599 V CB 1.870 33.526 31.823 -0.277 0.000 0.992 599 V HN 1.024 nan 8.190 nan 0.000 0.428 600 T N 6.136 120.655 114.554 -0.059 0.000 2.772 600 T HA 0.571 4.922 4.350 0.001 0.000 0.288 600 T C -0.273 174.344 174.700 -0.137 0.000 0.994 600 T CA -0.249 61.804 62.100 -0.078 0.000 0.951 600 T CB 0.660 69.502 68.868 -0.043 0.000 0.933 600 T HN 0.407 nan 8.240 nan 0.000 0.447 601 L N 3.882 124.998 121.223 -0.179 0.000 2.288 601 L HA 0.373 4.713 4.340 0.001 0.000 0.283 601 L C 0.135 176.926 176.870 -0.132 0.000 1.072 601 L CA -0.926 53.767 54.840 -0.245 0.000 0.862 601 L CB 0.575 42.391 42.059 -0.406 0.000 1.245 601 L HN 0.362 nan 8.230 nan 0.000 0.432 602 V N 3.418 123.275 119.914 -0.096 0.000 2.493 602 V HA 0.128 4.248 4.120 0.001 0.000 0.292 602 V C 1.394 177.471 176.094 -0.028 0.000 1.016 602 V CA 1.165 63.434 62.300 -0.051 0.000 1.097 602 V CB 0.442 32.242 31.823 -0.038 0.000 0.947 602 V HN 1.090 nan 8.190 nan 0.000 0.479 603 G N 3.910 112.697 108.800 -0.021 0.000 2.162 603 G HA2 -0.206 3.754 3.960 0.001 0.000 0.260 603 G HA3 -0.206 3.754 3.960 0.001 0.000 0.260 603 G C 0.056 174.959 174.900 0.004 0.000 0.976 603 G CA 0.074 45.171 45.100 -0.005 0.000 0.655 603 G HN 0.758 nan 8.290 nan 0.000 0.533 604 V N 1.298 121.208 119.914 -0.005 0.000 2.383 604 V HA 0.698 4.819 4.120 0.001 0.000 0.275 604 V C 0.919 177.014 176.094 0.002 0.000 1.036 604 V CA -0.253 62.055 62.300 0.013 0.000 0.889 604 V CB 1.293 33.116 31.823 0.000 0.000 0.985 604 V HN 1.010 nan 8.190 nan 0.000 0.459 605 A N 4.389 127.221 122.820 0.019 0.000 2.409 605 A HA 0.399 4.719 4.320 0.001 0.000 0.262 605 A C 1.039 178.643 177.584 0.033 0.000 1.113 605 A CA -0.338 51.711 52.037 0.020 0.000 0.790 605 A CB 0.297 19.311 19.000 0.023 0.000 1.046 605 A HN 0.923 nan 8.150 nan 0.000 0.496 606 L N 2.994 124.239 121.223 0.036 0.000 2.051 606 L HA -0.279 4.061 4.340 0.001 0.000 0.214 606 L C 2.246 179.181 176.870 0.107 0.000 1.076 606 L CA 2.778 57.662 54.840 0.074 0.000 0.758 606 L CB -0.754 41.340 42.059 0.060 0.000 0.890 606 L HN 0.927 nan 8.230 nan 0.000 0.433 607 N N -1.454 117.290 118.700 0.074 0.000 2.519 607 N HA -0.168 4.572 4.740 0.001 0.000 0.186 607 N C 1.432 176.987 175.510 0.075 0.000 1.062 607 N CA 1.062 54.157 53.050 0.076 0.000 0.910 607 N CB -0.384 38.132 38.487 0.049 0.000 0.958 607 N HN 0.592 nan 8.380 nan 0.000 0.445 608 S N 0.165 115.905 115.700 0.067 0.000 2.528 608 S HA 0.166 4.637 4.470 0.001 0.000 0.219 608 S C 0.907 175.543 174.600 0.059 0.000 0.985 608 S CA -0.517 57.719 58.200 0.060 0.000 0.914 608 S CB -0.182 63.052 63.200 0.057 0.000 0.776 608 S HN 0.176 nan 8.310 nan 0.000 0.526 609 L N 2.302 123.556 121.223 0.053 0.000 2.395 609 L HA 0.545 4.885 4.340 0.001 0.000 0.269 609 L C 0.352 177.181 176.870 -0.068 0.000 1.133 609 L CA -0.456 54.347 54.840 -0.061 0.000 0.812 609 L CB 1.394 43.312 42.059 -0.235 0.000 1.125 609 L HN 0.269 nan 8.230 nan 0.000 0.452 610 S N 0.937 116.531 115.700 -0.175 0.000 2.538 610 S HA 0.553 5.024 4.470 0.001 0.000 0.288 610 S C 0.548 175.059 174.600 -0.149 0.000 1.108 610 S CA -0.129 58.038 58.200 -0.056 0.000 0.971 610 S CB 1.940 65.141 63.200 0.002 0.000 1.041 610 S HN 0.694 nan 8.310 nan 0.000 0.483 611 A N 2.891 125.758 122.820 0.079 0.000 2.070 611 A HA -0.035 4.285 4.320 0.001 0.000 0.220 611 A C 1.551 179.172 177.584 0.063 0.000 1.159 611 A CA 2.042 54.169 52.037 0.149 0.000 0.656 611 A CB -1.021 18.162 19.000 0.305 0.000 0.800 611 A HN 0.938 nan 8.150 nan 0.000 0.453 612 D N -0.956 119.470 120.400 0.043 0.000 2.312 612 D HA 0.030 4.671 4.640 0.001 0.000 0.211 612 D C 1.669 177.979 176.300 0.017 0.000 0.964 612 D CA 1.172 55.193 54.000 0.035 0.000 0.877 612 D CB -0.145 40.677 40.800 0.036 0.000 0.924 612 D HN 0.353 nan 8.370 nan 0.000 0.515 613 G N -0.621 108.176 108.800 -0.006 0.000 3.088 613 G HA2 0.212 4.172 3.960 0.001 0.000 0.217 613 G HA3 0.212 4.172 3.960 0.001 0.000 0.217 613 G C 0.362 175.283 174.900 0.034 0.000 1.159 613 G CA -0.193 44.922 45.100 0.024 0.000 0.760 613 G HN 0.236 nan 8.290 nan 0.000 0.550 614 I N 1.566 122.123 120.570 -0.022 0.000 2.493 614 I HA 0.232 4.403 4.170 0.001 0.000 0.279 614 I C -0.866 175.290 176.117 0.064 0.000 1.045 614 I CA -0.718 60.593 61.300 0.018 0.000 1.106 614 I CB 2.253 40.184 38.000 -0.116 0.000 1.216 614 I HN -0.333 nan 8.210 nan 0.000 0.459 615 V N 6.664 126.582 119.914 0.007 0.000 2.385 615 V HA 0.335 4.456 4.120 0.001 0.000 0.269 615 V C 0.335 176.451 176.094 0.036 0.000 1.043 615 V CA -0.258 61.978 62.300 -0.107 0.000 0.906 615 V CB 1.272 32.763 31.823 -0.554 0.000 0.995 615 V HN 0.400 nan 8.190 nan 0.000 0.467 616 I N 4.879 125.496 120.570 0.078 0.000 2.355 616 I HA 0.740 4.911 4.170 0.001 0.000 0.288 616 I C 0.353 176.519 176.117 0.081 0.000 0.999 616 I CA -0.142 61.224 61.300 0.111 0.000 1.163 616 I CB 1.044 39.144 38.000 0.167 0.000 1.316 616 I HN 0.639 nan 8.210 nan 0.000 0.454 617 A N 0.000 122.871 122.820 0.084 0.000 2.254 617 A HA 0.000 4.321 4.320 0.001 0.000 0.244 617 A CA 0.000 52.105 52.037 0.114 0.000 0.836 617 A CB 0.000 19.034 19.000 0.057 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486