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 3a70_1_C 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 WGLFKDDVTH 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 3.966 3.960 0.009 0.000 0.244 2 G C 0.000 174.599 174.900 -0.502 0.000 0.946 2 G CA 0.000 44.706 45.100 -0.656 0.000 0.502 3 V N 0.160 119.598 119.914 -0.794 0.000 2.594 3 V HA -0.050 4.075 4.120 0.009 0.000 0.253 3 V C 1.395 177.287 176.094 -0.337 0.000 1.069 3 V CA 1.739 63.686 62.300 -0.589 0.000 1.082 3 V CB -0.610 30.737 31.823 -0.793 0.000 0.680 3 V HN 0.636 nan 8.190 nan 0.000 0.469 4 Y N -0.014 120.307 120.300 0.036 0.000 2.607 4 Y HA 0.417 4.972 4.550 0.009 0.000 0.266 4 Y C 0.573 176.605 175.900 0.221 0.000 1.178 4 Y CA -1.875 56.294 58.100 0.115 0.000 1.226 4 Y CB -0.733 37.695 38.460 -0.055 0.000 1.144 4 Y HN 0.237 nan 8.280 nan 0.000 0.528 5 D N 0.880 121.447 120.400 0.279 0.000 2.571 5 D HA -0.123 4.522 4.640 0.009 0.000 0.231 5 D C -0.691 175.808 176.300 0.331 0.000 1.133 5 D CA 1.127 55.285 54.000 0.263 0.000 0.862 5 D CB 0.394 41.272 40.800 0.130 0.000 1.179 5 D HN 0.251 nan 8.370 nan 0.000 0.474 6 Y N 1.962 122.380 120.300 0.196 0.000 2.386 6 Y HA 0.203 4.758 4.550 0.009 0.000 0.334 6 Y C 0.700 176.603 175.900 0.004 0.000 1.002 6 Y CA -0.735 57.472 58.100 0.178 0.000 1.068 6 Y CB 0.888 39.537 38.460 0.315 0.000 1.203 6 Y HN 0.463 nan 8.280 nan 0.000 0.443 7 K N 2.110 122.131 120.400 -0.631 0.000 1.699 7 K HA -0.367 3.959 4.320 0.009 0.000 0.127 7 K C -0.127 176.212 176.600 -0.436 0.000 1.157 7 K CA 2.211 58.102 56.287 -0.660 0.000 0.341 7 K CB -0.978 30.928 32.500 -0.990 0.000 0.645 7 K HN 0.976 nan 8.250 nan 0.000 0.848 8 N N 0.247 118.604 118.700 -0.572 0.000 2.433 8 N HA 0.197 4.942 4.740 0.009 0.000 0.270 8 N C 0.303 175.675 175.510 -0.230 0.000 1.354 8 N CA -0.298 52.566 53.050 -0.310 0.000 0.889 8 N CB 0.331 38.683 38.487 -0.226 0.000 1.285 8 N HN 0.100 nan 8.380 nan 0.000 0.503 9 F N 1.997 121.972 119.950 0.042 0.000 2.407 9 F HA 0.208 4.740 4.527 0.009 0.000 0.299 9 F C 1.891 177.734 175.800 0.072 0.000 1.097 9 F CA 0.842 58.886 58.000 0.073 0.000 1.422 9 F CB -0.632 38.444 39.000 0.127 0.000 1.067 9 F HN 0.316 nan 8.300 nan 0.000 0.539 10 G N -0.165 108.752 108.800 0.195 0.000 2.760 10 G HA2 -0.250 3.715 3.960 0.009 0.000 0.246 10 G HA3 -0.250 3.715 3.960 0.009 0.000 0.246 10 G C 0.678 175.689 174.900 0.186 0.000 1.359 10 G CA -0.241 44.948 45.100 0.148 0.000 0.861 10 G HN 0.113 nan 8.290 nan 0.000 0.541 11 T N 0.824 115.471 114.554 0.155 0.000 2.643 11 T HA 0.072 4.428 4.350 0.009 0.000 0.264 11 T C 2.926 177.736 174.700 0.183 0.000 1.045 11 T CA 3.326 65.544 62.100 0.197 0.000 1.155 11 T CB -0.657 68.317 68.868 0.177 0.000 0.863 11 T HN 1.659 nan 8.240 nan 0.000 0.420 12 A N 1.919 124.813 122.820 0.124 0.000 1.898 12 A HA -0.114 4.212 4.320 0.009 0.000 0.216 12 A C 2.079 179.710 177.584 0.079 0.000 1.181 12 A CA 1.627 53.709 52.037 0.075 0.000 0.620 12 A CB -0.555 18.479 19.000 0.056 0.000 0.819 12 A HN 0.376 nan 8.150 nan 0.000 0.442 13 D N -0.281 120.190 120.400 0.117 0.000 2.234 13 D HA -0.018 4.627 4.640 0.009 0.000 0.205 13 D C 2.167 178.551 176.300 0.140 0.000 0.962 13 D CA 1.226 55.285 54.000 0.099 0.000 0.855 13 D CB -0.245 40.616 40.800 0.102 0.000 0.951 13 D HN 0.358 nan 8.370 nan 0.000 0.500 14 S N 0.890 116.744 115.700 0.256 0.000 2.368 14 S HA -0.121 4.354 4.470 0.009 0.000 0.225 14 S C 1.814 176.568 174.600 0.257 0.000 1.030 14 S CA 0.902 59.303 58.200 0.335 0.000 0.999 14 S CB 0.036 63.479 63.200 0.405 0.000 0.844 14 S HN 0.267 nan 8.310 nan 0.000 0.459 15 K N 1.707 122.203 120.400 0.160 0.000 2.009 15 K HA -0.078 4.248 4.320 0.009 0.000 0.210 15 K C 2.421 179.084 176.600 0.105 0.000 1.049 15 K CA 1.387 57.708 56.287 0.057 0.000 0.929 15 K CB -0.415 31.994 32.500 -0.152 0.000 0.714 15 K HN 0.336 nan 8.250 nan 0.000 0.440 16 A N 1.240 124.099 122.820 0.064 0.000 1.933 16 A HA -0.167 4.159 4.320 0.009 0.000 0.218 16 A C 2.136 179.760 177.584 0.066 0.000 1.175 16 A CA 1.255 53.321 52.037 0.048 0.000 0.628 16 A CB -0.563 18.439 19.000 0.003 0.000 0.814 16 A HN 0.246 nan 8.150 nan 0.000 0.444 17 L N -1.599 119.661 121.223 0.061 0.000 2.017 17 L HA -0.109 4.236 4.340 0.009 0.000 0.208 17 L C 2.246 179.157 176.870 0.069 0.000 1.073 17 L CA 2.300 57.160 54.840 0.033 0.000 0.745 17 L CB -0.644 41.416 42.059 0.001 0.000 0.894 17 L HN 0.459 nan 8.230 nan 0.000 0.432 18 F N -0.577 119.361 119.950 -0.020 0.000 2.126 18 F HA -0.248 4.285 4.527 0.009 0.000 0.299 18 F C 2.437 178.227 175.800 -0.016 0.000 1.096 18 F CA 1.858 59.831 58.000 -0.045 0.000 1.255 18 F CB -0.235 38.718 39.000 -0.078 0.000 0.997 18 F HN 0.086 nan 8.300 nan 0.000 0.479 19 S N 0.039 115.868 115.700 0.215 0.000 2.383 19 S HA -0.185 4.291 4.470 0.009 0.000 0.227 19 S C 1.582 176.201 174.600 0.031 0.000 1.026 19 S CA 1.250 59.518 58.200 0.114 0.000 0.981 19 S CB -0.416 62.860 63.200 0.126 0.000 0.818 19 S HN 0.448 nan 8.310 nan 0.000 0.472 20 D N 1.888 122.336 120.400 0.080 0.000 2.084 20 D HA -0.049 4.597 4.640 0.009 0.000 0.194 20 D C 2.236 178.503 176.300 -0.054 0.000 0.990 20 D CA 1.308 55.407 54.000 0.166 0.000 0.826 20 D CB -0.523 40.474 40.800 0.329 0.000 0.971 20 D HN 0.352 nan 8.370 nan 0.000 0.453 21 A N 0.878 123.619 122.820 -0.132 0.000 1.903 21 A HA -0.256 4.069 4.320 0.009 0.000 0.219 21 A C 2.183 179.678 177.584 -0.150 0.000 1.191 21 A CA 2.409 54.334 52.037 -0.186 0.000 0.638 21 A CB -0.628 18.234 19.000 -0.230 0.000 0.823 21 A HN 0.218 nan 8.150 nan 0.000 0.451 22 M N -0.086 119.344 119.600 -0.285 0.000 2.132 22 M HA 0.038 4.523 4.480 0.009 0.000 0.263 22 M C 2.168 178.310 176.300 -0.263 0.000 1.065 22 M CA 1.657 56.691 55.300 -0.444 0.000 1.122 22 M CB -0.678 31.609 32.600 -0.522 0.000 1.365 22 M HN 0.386 nan 8.290 nan 0.000 0.411 23 A N 0.599 123.320 122.820 -0.164 0.000 1.883 23 A HA -0.153 4.173 4.320 0.009 0.000 0.217 23 A C 2.166 179.664 177.584 -0.143 0.000 1.186 23 A CA 2.154 54.135 52.037 -0.094 0.000 0.624 23 A CB -1.407 17.608 19.000 0.026 0.000 0.822 23 A HN 0.785 nan 8.150 nan 0.000 0.444 24 I N -3.532 116.878 120.570 -0.267 0.000 2.500 24 I HA -0.086 4.090 4.170 0.009 0.000 0.252 24 I C 2.107 178.091 176.117 -0.222 0.000 1.142 24 I CA 1.895 62.998 61.300 -0.328 0.000 1.451 24 I CB -1.041 36.565 38.000 -0.656 0.000 1.093 24 I HN 0.105 nan 8.210 nan 0.000 0.430 25 T N 2.456 116.884 114.554 -0.211 0.000 2.652 25 T HA -0.112 4.244 4.350 0.009 0.000 0.267 25 T C 1.995 176.585 174.700 -0.183 0.000 1.039 25 T CA 2.072 64.062 62.100 -0.183 0.000 1.153 25 T CB -0.430 68.356 68.868 -0.137 0.000 0.863 25 T HN 0.335 nan 8.240 nan 0.000 0.428 26 L N -0.442 120.690 121.223 -0.152 0.000 2.046 26 L HA -0.108 4.238 4.340 0.009 0.000 0.208 26 L C 2.384 179.198 176.870 -0.095 0.000 1.077 26 L CA 1.544 56.331 54.840 -0.088 0.000 0.747 26 L CB -0.620 41.386 42.059 -0.089 0.000 0.896 26 L HN 0.288 nan 8.230 nan 0.000 0.432 27 Y N 1.306 121.465 120.300 -0.236 0.000 2.114 27 Y HA -0.362 4.193 4.550 0.009 0.000 0.282 27 Y C 2.975 178.556 175.900 -0.532 0.000 1.165 27 Y CA 1.665 59.561 58.100 -0.340 0.000 1.148 27 Y CB -0.502 37.781 38.460 -0.295 0.000 0.972 27 Y HN 0.297 nan 8.280 nan 0.000 0.504 28 S N -1.128 114.248 115.700 -0.539 0.000 2.420 28 S HA -0.268 4.208 4.470 0.009 0.000 0.237 28 S C 1.575 175.938 174.600 -0.395 0.000 1.023 28 S CA 1.520 59.402 58.200 -0.530 0.000 0.991 28 S CB -1.103 61.852 63.200 -0.408 0.000 0.792 28 S HN 0.542 nan 8.310 nan 0.000 0.488 29 Y N 1.465 121.600 120.300 -0.275 0.000 2.466 29 Y HA 0.266 4.822 4.550 0.010 0.000 0.272 29 Y C 0.796 176.648 175.900 -0.079 0.000 1.169 29 Y CA -0.277 57.744 58.100 -0.131 0.000 1.285 29 Y CB -0.551 37.822 38.460 -0.145 0.000 1.078 29 Y HN 0.396 nan 8.280 nan 0.000 0.523 30 H N 0.202 119.203 119.070 -0.114 0.000 2.655 30 H HA -0.242 4.320 4.556 0.009 0.000 0.313 30 H C 0.174 175.487 175.328 -0.024 0.000 1.141 30 H CA 0.760 56.735 56.048 -0.122 0.000 1.138 30 H CB -1.544 28.125 29.762 -0.154 0.000 1.446 30 H HN 0.416 nan 8.280 nan 0.000 0.415 31 N N -0.930 117.792 118.700 0.036 0.000 2.725 31 N HA -0.206 4.540 4.740 0.009 0.000 0.249 31 N C 1.342 176.871 175.510 0.032 0.000 1.103 31 N CA 0.914 53.983 53.050 0.030 0.000 0.707 31 N CB -1.015 37.496 38.487 0.040 0.000 1.043 31 N HN 0.451 nan 8.380 nan 0.000 0.553 32 L N 1.463 122.706 121.223 0.034 0.000 2.079 32 L HA -0.137 4.208 4.340 0.009 0.000 0.210 32 L C 1.856 178.722 176.870 -0.008 0.000 1.081 32 L CA 2.462 57.313 54.840 0.018 0.000 0.752 32 L CB -0.200 41.877 42.059 0.029 0.000 0.896 32 L HN 0.297 nan 8.230 nan 0.000 0.433 33 D N -1.992 118.369 120.400 -0.065 0.000 2.319 33 D HA -0.132 4.514 4.640 0.009 0.000 0.230 33 D C 1.455 177.792 176.300 0.062 0.000 1.094 33 D CA 0.143 54.127 54.000 -0.026 0.000 0.856 33 D CB -1.095 39.614 40.800 -0.152 0.000 0.915 33 D HN 0.539 nan 8.370 nan 0.000 0.517 34 N N 0.936 119.668 118.700 0.053 0.000 2.084 34 N HA -0.149 4.597 4.740 0.009 0.000 0.190 34 N C 1.910 177.484 175.510 0.107 0.000 1.030 34 N CA 1.609 54.702 53.050 0.071 0.000 0.849 34 N CB -0.269 38.250 38.487 0.053 0.000 1.012 34 N HN 0.286 nan 8.380 nan 0.000 0.423 35 G N 0.092 108.956 108.800 0.108 0.000 2.422 35 G HA2 -0.239 3.727 3.960 0.009 0.000 0.218 35 G HA3 -0.239 3.727 3.960 0.009 0.000 0.218 35 G C 1.361 176.351 174.900 0.150 0.000 1.146 35 G CA 0.250 45.417 45.100 0.111 0.000 0.769 35 G HN 0.405 nan 8.290 nan 0.000 0.547 36 F N 2.052 122.043 119.950 0.068 0.000 2.075 36 F HA 0.017 4.549 4.527 0.008 0.000 0.297 36 F C 2.928 178.807 175.800 0.132 0.000 1.113 36 F CA 1.499 59.556 58.000 0.096 0.000 1.218 36 F CB -0.049 38.989 39.000 0.063 0.000 0.984 36 F HN 0.241 nan 8.300 nan 0.000 0.472 37 A N 0.467 123.543 122.820 0.427 0.000 1.873 37 A HA -0.226 4.099 4.320 0.009 0.000 0.218 37 A C 2.347 180.103 177.584 0.287 0.000 1.193 37 A CA 2.191 54.428 52.037 0.334 0.000 0.629 37 A CB -1.655 17.456 19.000 0.185 0.000 0.826 37 A HN 0.524 nan 8.150 nan 0.000 0.447 38 A N -0.765 122.170 122.820 0.192 0.000 1.902 38 A HA 0.115 4.440 4.320 0.009 0.000 0.217 38 A C 2.435 180.103 177.584 0.139 0.000 1.181 38 A CA 2.035 54.160 52.037 0.147 0.000 0.623 38 A CB -1.409 17.652 19.000 0.102 0.000 0.818 38 A HN 0.797 nan 8.150 nan 0.000 0.443 39 G N -1.722 107.137 108.800 0.099 0.000 2.418 39 G HA2 -0.260 3.706 3.960 0.009 0.000 0.217 39 G HA3 -0.260 3.706 3.960 0.009 0.000 0.217 39 G C 1.547 176.491 174.900 0.073 0.000 1.158 39 G CA 1.237 46.368 45.100 0.051 0.000 0.771 39 G HN 0.613 nan 8.290 nan 0.000 0.545 40 Y N 1.065 121.334 120.300 -0.052 0.000 2.128 40 Y HA -0.195 4.359 4.550 0.008 0.000 0.284 40 Y C 2.956 178.915 175.900 0.099 0.000 1.154 40 Y CA 2.341 60.471 58.100 0.049 0.000 1.149 40 Y CB -0.297 38.267 38.460 0.173 0.000 0.976 40 Y HN 0.267 nan 8.280 nan 0.000 0.505 41 Q N -0.561 119.307 119.800 0.114 0.000 2.096 41 Q HA -0.239 4.106 4.340 0.009 0.000 0.204 41 Q C 2.177 178.165 176.000 -0.019 0.000 0.982 41 Q CA 2.338 58.147 55.803 0.010 0.000 0.850 41 Q CB -0.599 28.217 28.738 0.131 0.000 0.901 41 Q HN 0.723 nan 8.270 nan 0.000 0.422 42 H N -0.913 118.130 119.070 -0.044 0.000 2.333 42 H HA 0.071 4.633 4.556 0.011 0.000 0.302 42 H C 1.022 176.314 175.328 -0.060 0.000 1.075 42 H CA 2.131 58.155 56.048 -0.039 0.000 1.348 42 H CB 0.095 29.851 29.762 -0.009 0.000 1.393 42 H HN 0.388 nan 8.280 nan 0.000 0.509 43 N N -0.636 117.998 118.700 -0.111 0.000 2.368 43 N HA 0.224 4.969 4.740 0.009 0.000 0.178 43 N C 0.484 175.930 175.510 -0.107 0.000 1.076 43 N CA 0.430 53.399 53.050 -0.134 0.000 0.889 43 N CB 1.180 39.652 38.487 -0.025 0.000 1.040 43 N HN 0.524 nan 8.380 nan 0.000 0.463 44 G N 0.869 109.570 108.800 -0.166 0.000 2.693 44 G HA2 -0.303 3.663 3.960 0.009 0.000 0.226 44 G HA3 -0.303 3.663 3.960 0.009 0.000 0.226 44 G C -0.490 174.562 174.900 0.252 0.000 1.354 44 G CA -0.217 44.817 45.100 -0.111 0.000 0.873 44 G HN 0.229 nan 8.290 nan 0.000 0.562 45 F N 2.035 122.096 119.950 0.186 0.000 2.735 45 F HA 0.530 5.062 4.527 0.007 0.000 0.308 45 F C 1.416 177.505 175.800 0.481 0.000 1.112 45 F CA 0.961 59.175 58.000 0.356 0.000 1.235 45 F CB 0.374 39.630 39.000 0.427 0.000 1.027 45 F HN 0.806 nan 8.300 nan 0.000 0.528 46 G N -0.271 108.736 108.800 0.345 0.000 2.887 46 G HA2 0.107 4.073 3.960 0.009 0.000 0.210 46 G HA3 0.107 4.073 3.960 0.009 0.000 0.210 46 G C 0.723 175.675 174.900 0.086 0.000 1.964 46 G CA -0.031 45.209 45.100 0.233 0.000 0.738 46 G HN 0.002 nan 8.290 nan 0.000 0.790 47 L N 1.842 123.089 121.223 0.039 0.000 2.129 47 L HA 0.068 4.413 4.340 0.009 0.000 0.212 47 L C 2.749 179.626 176.870 0.011 0.000 1.087 47 L CA 2.038 56.882 54.840 0.007 0.000 0.757 47 L CB -0.857 41.200 42.059 -0.004 0.000 0.896 47 L HN 0.423 nan 8.230 nan 0.000 0.434 48 G N -2.016 106.800 108.800 0.026 0.000 2.813 48 G HA2 -0.115 3.851 3.960 0.009 0.000 0.209 48 G HA3 -0.115 3.851 3.960 0.009 0.000 0.209 48 G C 1.529 176.442 174.900 0.022 0.000 1.150 48 G CA 0.345 45.453 45.100 0.013 0.000 0.785 48 G HN 0.333 nan 8.290 nan 0.000 0.535 49 L N 1.695 122.932 121.223 0.023 0.000 1.990 49 L HA 0.003 4.348 4.340 0.009 0.000 0.213 49 L C 0.067 176.919 176.870 -0.030 0.000 1.072 49 L CA 2.168 56.990 54.840 -0.031 0.000 0.755 49 L CB -0.992 41.005 42.059 -0.104 0.000 0.889 49 L HN 0.045 nan 8.230 nan 0.000 0.432 50 P HA -0.205 nan 4.420 nan 0.000 0.215 50 P C 1.584 178.884 177.300 -0.001 0.000 1.157 50 P CA 2.284 65.382 63.100 -0.002 0.000 0.874 50 P CB -0.277 31.425 31.700 0.004 0.000 0.790 51 A N -1.176 121.647 122.820 0.004 0.000 1.902 51 A HA -0.191 4.134 4.320 0.009 0.000 0.217 51 A C 2.306 179.888 177.584 -0.004 0.000 1.181 51 A CA 2.423 54.469 52.037 0.015 0.000 0.623 51 A CB -1.908 17.111 19.000 0.033 0.000 0.818 51 A HN 0.152 nan 8.150 nan 0.000 0.443 52 T N 0.618 115.151 114.554 -0.034 0.000 2.684 52 T HA -0.135 4.220 4.350 0.009 0.000 0.267 52 T C 1.790 176.357 174.700 -0.222 0.000 1.036 52 T CA 1.616 63.639 62.100 -0.128 0.000 1.148 52 T CB -0.430 68.368 68.868 -0.116 0.000 0.863 52 T HN 0.395 nan 8.240 nan 0.000 0.436 53 L N 0.615 121.759 121.223 -0.130 0.000 2.083 53 L HA -0.082 4.263 4.340 0.009 0.000 0.209 53 L C 2.669 179.537 176.870 -0.002 0.000 1.083 53 L CA 0.861 55.671 54.840 -0.049 0.000 0.752 53 L CB -0.815 41.251 42.059 0.013 0.000 0.899 53 L HN 0.154 nan 8.230 nan 0.000 0.433 54 V N -0.137 119.780 119.914 0.006 0.000 2.287 54 V HA -0.305 3.820 4.120 0.009 0.000 0.248 54 V C 2.563 178.683 176.094 0.043 0.000 1.053 54 V CA 2.507 64.827 62.300 0.034 0.000 1.027 54 V CB -0.803 31.045 31.823 0.041 0.000 0.646 54 V HN 0.508 nan 8.190 nan 0.000 0.447 55 T N 0.141 114.709 114.554 0.024 0.000 2.904 55 T HA -0.066 4.289 4.350 0.009 0.000 0.267 55 T C 2.053 176.779 174.700 0.044 0.000 1.059 55 T CA 1.258 63.383 62.100 0.040 0.000 1.137 55 T CB -0.401 68.486 68.868 0.032 0.000 0.879 55 T HN 0.560 nan 8.240 nan 0.000 0.467 56 A N 1.239 124.069 122.820 0.017 0.000 1.940 56 A HA -0.013 4.312 4.320 0.009 0.000 0.219 56 A C 2.223 179.871 177.584 0.108 0.000 1.176 56 A CA 1.298 53.403 52.037 0.112 0.000 0.631 56 A CB -0.696 18.427 19.000 0.204 0.000 0.814 56 A HN 0.491 nan 8.150 nan 0.000 0.446 57 L N -1.802 119.467 121.223 0.076 0.000 2.168 57 L HA 0.129 4.475 4.340 0.009 0.000 0.203 57 L C 2.054 178.949 176.870 0.042 0.000 1.078 57 L CA 0.592 55.468 54.840 0.060 0.000 0.780 57 L CB -0.136 41.955 42.059 0.054 0.000 0.939 57 L HN 0.272 nan 8.230 nan 0.000 0.451 58 L N -1.152 120.102 121.223 0.052 0.000 2.664 58 L HA 0.319 4.664 4.340 0.009 0.000 0.233 58 L C 1.279 178.179 176.870 0.050 0.000 1.113 58 L CA 0.185 55.054 54.840 0.048 0.000 0.896 58 L CB 0.094 42.218 42.059 0.109 0.000 1.163 58 L HN 0.392 nan 8.230 nan 0.000 0.497 59 G N 0.501 109.339 108.800 0.063 0.000 2.574 59 G HA2 -0.149 3.816 3.960 0.009 0.000 0.282 59 G HA3 -0.149 3.816 3.960 0.009 0.000 0.282 59 G C 0.186 175.167 174.900 0.136 0.000 1.257 59 G CA -0.144 45.001 45.100 0.075 0.000 0.956 59 G HN 0.549 nan 8.290 nan 0.000 0.560 60 G N -3.796 105.097 108.800 0.156 0.000 2.753 60 G HA2 0.713 4.678 3.960 0.009 0.000 0.303 60 G HA3 0.713 4.678 3.960 0.009 0.000 0.303 60 G C 1.018 176.092 174.900 0.289 0.000 1.242 60 G CA 1.118 46.359 45.100 0.234 0.000 0.810 60 G HN 1.917 nan 8.290 nan 0.000 0.515 61 T N -1.948 112.743 114.554 0.227 0.000 2.995 61 T HA 0.008 4.364 4.350 0.009 0.000 0.269 61 T C 1.037 175.802 174.700 0.109 0.000 1.091 61 T CA 2.038 64.251 62.100 0.188 0.000 1.128 61 T CB -0.084 68.845 68.868 0.102 0.000 0.891 61 T HN 0.492 nan 8.240 nan 0.000 0.492 62 D N 0.936 121.382 120.400 0.077 0.000 2.479 62 D HA 0.211 4.857 4.640 0.009 0.000 0.218 62 D C 0.268 176.602 176.300 0.056 0.000 1.177 62 D CA -0.354 53.679 54.000 0.055 0.000 0.830 62 D CB 0.022 40.843 40.800 0.035 0.000 1.014 62 D HN 0.535 nan 8.370 nan 0.000 0.503 63 S N -1.372 114.368 115.700 0.065 0.000 2.607 63 S HA 0.519 4.995 4.470 0.009 0.000 0.273 63 S C -1.144 173.485 174.600 0.048 0.000 1.148 63 S CA -0.986 57.249 58.200 0.059 0.000 0.833 63 S CB 2.543 65.784 63.200 0.068 0.000 1.130 63 S HN 0.060 nan 8.310 nan 0.000 0.470 64 Q N 0.548 120.370 119.800 0.037 0.000 2.330 64 Q HA 0.606 4.951 4.340 0.009 0.000 0.269 64 Q C 0.235 176.254 176.000 0.031 0.000 1.022 64 Q CA -0.660 55.152 55.803 0.015 0.000 0.796 64 Q CB 1.510 30.248 28.738 0.001 0.000 1.271 64 Q HN 1.000 nan 8.270 nan 0.000 0.450 65 G N 1.075 109.890 108.800 0.025 0.000 2.574 65 G HA2 0.170 4.136 3.960 0.009 0.000 0.248 65 G HA3 0.170 4.136 3.960 0.009 0.000 0.248 65 G C 0.468 175.386 174.900 0.031 0.000 1.422 65 G CA -0.379 44.749 45.100 0.046 0.000 1.051 65 G HN 0.505 nan 8.290 nan 0.000 0.560 66 V N 0.019 119.957 119.914 0.039 0.000 2.809 66 V HA 0.092 4.218 4.120 0.009 0.000 0.256 66 V C 1.087 177.188 176.094 0.011 0.000 1.080 66 V CA 0.815 63.134 62.300 0.032 0.000 1.102 66 V CB -0.506 31.343 31.823 0.045 0.000 0.705 66 V HN 0.272 nan 8.190 nan 0.000 0.475 67 I N 3.139 123.707 120.570 -0.004 0.000 2.325 67 I HA 0.252 4.428 4.170 0.009 0.000 0.291 67 I C -1.973 174.113 176.117 -0.052 0.000 1.019 67 I CA -1.753 59.532 61.300 -0.025 0.000 1.302 67 I CB 1.258 39.240 38.000 -0.031 0.000 1.401 67 I HN 0.122 nan 8.210 nan 0.000 0.485 68 P HA 0.173 nan 4.420 nan 0.000 0.276 68 P C 0.490 177.736 177.300 -0.091 0.000 1.252 68 P CA -0.036 63.029 63.100 -0.059 0.000 0.802 68 P CB 0.993 32.670 31.700 -0.038 0.000 1.035 69 G N 0.619 109.357 108.800 -0.102 0.000 2.176 69 G HA2 -0.238 3.728 3.960 0.009 0.000 0.252 69 G HA3 -0.238 3.728 3.960 0.009 0.000 0.252 69 G C -0.047 174.740 174.900 -0.188 0.000 1.024 69 G CA -0.180 44.851 45.100 -0.114 0.000 0.755 69 G HN 0.483 nan 8.290 nan 0.000 0.507 70 I N 0.580 120.975 120.570 -0.292 0.000 2.312 70 I HA 0.214 4.390 4.170 0.009 0.000 0.291 70 I C -0.538 175.235 176.117 -0.574 0.000 1.031 70 I CA -2.427 58.536 61.300 -0.562 0.000 1.293 70 I CB 1.627 39.186 38.000 -0.735 0.000 1.403 70 I HN -0.110 nan 8.210 nan 0.000 0.484 71 P HA -0.174 nan 4.420 nan 0.000 0.216 71 P C 1.048 178.329 177.300 -0.032 0.000 1.150 71 P CA 1.458 64.480 63.100 -0.130 0.000 0.837 71 P CB -0.015 31.720 31.700 0.059 0.000 0.786 72 W N -0.777 120.528 121.300 0.008 0.000 3.047 72 W HA 0.185 4.850 4.660 0.009 0.000 0.250 72 W C -0.068 176.456 176.519 0.009 0.000 1.314 72 W CA -0.485 56.864 57.345 0.007 0.000 1.540 72 W CB -1.892 27.570 29.460 0.004 0.000 1.127 72 W HN -0.206 nan 8.180 nan 0.000 0.679 73 N N 3.703 122.285 118.700 -0.197 0.000 2.508 73 N HA 0.112 4.857 4.740 0.009 0.000 0.264 73 N C -2.055 173.448 175.510 -0.011 0.000 1.216 73 N CA -1.411 51.591 53.050 -0.080 0.000 0.943 73 N CB 0.394 38.791 38.487 -0.151 0.000 1.113 73 N HN -0.171 nan 8.380 nan 0.000 0.447 74 P HA -0.018 nan 4.420 nan 0.000 0.272 74 P C -0.824 176.482 177.300 0.009 0.000 1.230 74 P CA -0.115 62.999 63.100 0.023 0.000 0.788 74 P CB 0.579 32.300 31.700 0.036 0.000 0.949 75 D N 0.945 121.354 120.400 0.014 0.000 2.441 75 D HA -0.003 4.643 4.640 0.009 0.000 0.243 75 D C 1.289 177.608 176.300 0.032 0.000 1.257 75 D CA 0.190 54.200 54.000 0.016 0.000 1.027 75 D CB -0.147 40.664 40.800 0.019 0.000 1.084 75 D HN 0.225 nan 8.370 nan 0.000 0.514 76 S N 2.297 118.016 115.700 0.032 0.000 2.481 76 S HA -0.090 4.386 4.470 0.009 0.000 0.231 76 S C 1.399 176.038 174.600 0.065 0.000 0.996 76 S CA 0.413 58.639 58.200 0.045 0.000 0.942 76 S CB -0.056 63.168 63.200 0.040 0.000 0.768 76 S HN 0.497 nan 8.310 nan 0.000 0.520 77 E N 1.498 121.741 120.200 0.072 0.000 2.072 77 E HA -0.082 4.273 4.350 0.009 0.000 0.190 77 E C 2.099 178.781 176.600 0.136 0.000 0.982 77 E CA 0.834 57.304 56.400 0.116 0.000 0.803 77 E CB -0.162 29.594 29.700 0.094 0.000 0.755 77 E HN 0.583 nan 8.360 nan 0.000 0.453 78 K N 1.382 121.838 120.400 0.094 0.000 2.057 78 K HA -0.139 4.187 4.320 0.009 0.000 0.207 78 K C 2.208 178.859 176.600 0.084 0.000 1.049 78 K CA 0.797 57.137 56.287 0.088 0.000 0.931 78 K CB -0.066 32.468 32.500 0.057 0.000 0.714 78 K HN 0.085 nan 8.250 nan 0.000 0.440 79 L N 0.701 121.966 121.223 0.071 0.000 2.012 79 L HA -0.210 4.135 4.340 0.009 0.000 0.210 79 L C 2.708 179.625 176.870 0.078 0.000 1.073 79 L CA 1.428 56.306 54.840 0.063 0.000 0.748 79 L CB -0.659 41.430 42.059 0.051 0.000 0.891 79 L HN 0.275 nan 8.230 nan 0.000 0.431 80 A N -0.047 122.833 122.820 0.099 0.000 1.908 80 A HA -0.248 4.077 4.320 0.009 0.000 0.218 80 A C 2.218 179.934 177.584 0.220 0.000 1.181 80 A CA 1.971 54.089 52.037 0.135 0.000 0.627 80 A CB -0.722 18.331 19.000 0.088 0.000 0.818 80 A HN 0.344 nan 8.150 nan 0.000 0.445 81 L N 0.032 121.396 121.223 0.235 0.000 2.027 81 L HA -0.141 4.204 4.340 0.009 0.000 0.206 81 L C 1.690 178.582 176.870 0.036 0.000 1.074 81 L CA 2.550 57.496 54.840 0.176 0.000 0.745 81 L CB -0.725 41.457 42.059 0.205 0.000 0.898 81 L HN 0.330 nan 8.230 nan 0.000 0.433 82 D N 0.127 120.559 120.400 0.052 0.000 2.104 82 D HA -0.208 4.438 4.640 0.009 0.000 0.194 82 D C 2.211 178.522 176.300 0.018 0.000 0.994 82 D CA 1.673 55.690 54.000 0.027 0.000 0.830 82 D CB -0.330 40.489 40.800 0.033 0.000 0.959 82 D HN 0.512 nan 8.370 nan 0.000 0.452 83 A N 0.525 123.365 122.820 0.033 0.000 1.908 83 A HA -0.153 4.173 4.320 0.009 0.000 0.218 83 A C 2.459 180.055 177.584 0.020 0.000 1.181 83 A CA 1.430 53.485 52.037 0.029 0.000 0.627 83 A CB -0.843 18.181 19.000 0.040 0.000 0.818 83 A HN 0.203 nan 8.150 nan 0.000 0.445 84 V N -0.284 119.620 119.914 -0.017 0.000 2.548 84 V HA -0.183 3.942 4.120 0.009 0.000 0.249 84 V C 2.347 178.450 176.094 0.015 0.000 1.055 84 V CA 2.324 64.591 62.300 -0.054 0.000 1.065 84 V CB -0.478 31.131 31.823 -0.356 0.000 0.681 84 V HN 0.600 nan 8.190 nan 0.000 0.462 85 K N -0.145 120.237 120.400 -0.030 0.000 2.057 85 K HA -0.215 4.110 4.320 0.009 0.000 0.207 85 K C 2.259 178.856 176.600 -0.005 0.000 1.049 85 K CA 1.680 57.963 56.287 -0.008 0.000 0.931 85 K CB -0.247 32.242 32.500 -0.018 0.000 0.714 85 K HN 0.325 nan 8.250 nan 0.000 0.440 86 K N 0.844 121.244 120.400 0.001 0.000 2.152 86 K HA -0.119 4.206 4.320 0.009 0.000 0.206 86 K C 1.777 178.372 176.600 -0.008 0.000 1.048 86 K CA 1.256 57.541 56.287 -0.004 0.000 0.933 86 K CB -0.051 32.453 32.500 0.006 0.000 0.721 86 K HN 0.132 nan 8.250 nan 0.000 0.447 87 A N -0.186 122.649 122.820 0.025 0.000 2.239 87 A HA 0.129 4.454 4.320 0.009 0.000 0.209 87 A C 1.332 178.844 177.584 -0.120 0.000 1.171 87 A CA 1.089 53.151 52.037 0.041 0.000 0.768 87 A CB -0.332 18.780 19.000 0.186 0.000 0.790 87 A HN 0.579 nan 8.150 nan 0.000 0.478 88 G N -3.239 105.458 108.800 -0.171 0.000 2.184 88 G HA2 -0.228 3.737 3.960 0.009 0.000 0.206 88 G HA3 -0.228 3.737 3.960 0.009 0.000 0.206 88 G C -0.210 174.452 174.900 -0.398 0.000 0.995 88 G CA -0.153 44.733 45.100 -0.357 0.000 0.651 88 G HN 0.427 nan 8.290 nan 0.000 0.511 89 W N 0.898 122.153 121.300 -0.075 0.000 2.520 89 W HA 0.676 5.342 4.660 0.009 0.000 0.323 89 W C 0.058 176.523 176.519 -0.090 0.000 1.062 89 W CA -0.533 56.755 57.345 -0.094 0.000 1.215 89 W CB 1.918 31.281 29.460 -0.161 0.000 1.340 89 W HN 0.055 nan 8.180 nan 0.000 0.516 90 T N 3.765 118.467 114.554 0.248 0.000 2.879 90 T HA 0.317 4.673 4.350 0.009 0.000 0.290 90 T C -2.647 172.141 174.700 0.148 0.000 0.993 90 T CA -1.716 60.474 62.100 0.149 0.000 0.975 90 T CB 1.560 70.535 68.868 0.179 0.000 0.981 90 T HN -0.090 nan 8.240 nan 0.000 0.439 91 P HA 0.186 nan 4.420 nan 0.000 0.265 91 P C -0.437 176.937 177.300 0.123 0.000 1.193 91 P CA -0.233 62.916 63.100 0.082 0.000 0.765 91 P CB 0.286 32.046 31.700 0.100 0.000 0.823 92 I N 2.368 123.010 120.570 0.120 0.000 2.396 92 I HA 0.103 4.278 4.170 0.009 0.000 0.289 92 I C 1.352 177.556 176.117 0.144 0.000 1.056 92 I CA -0.363 60.978 61.300 0.069 0.000 1.365 92 I CB 0.545 38.468 38.000 -0.129 0.000 1.407 92 I HN 0.357 nan 8.210 nan 0.000 0.509 93 T N 2.728 117.334 114.554 0.087 0.000 2.856 93 T HA 0.209 4.564 4.350 0.009 0.000 0.306 93 T C 1.283 176.086 174.700 0.171 0.000 1.062 93 T CA -0.192 61.961 62.100 0.088 0.000 1.083 93 T CB 1.486 70.380 68.868 0.044 0.000 0.984 93 T HN 0.687 nan 8.240 nan 0.000 0.542 94 A N 1.645 124.574 122.820 0.181 0.000 1.978 94 A HA -0.036 4.290 4.320 0.009 0.000 0.220 94 A C 2.698 180.406 177.584 0.207 0.000 1.170 94 A CA 2.037 54.276 52.037 0.336 0.000 0.636 94 A CB -1.369 17.816 19.000 0.308 0.000 0.810 94 A HN 0.952 nan 8.150 nan 0.000 0.448 95 S N -0.550 115.221 115.700 0.118 0.000 2.348 95 S HA -0.243 4.233 4.470 0.009 0.000 0.221 95 S C 2.133 176.787 174.600 0.089 0.000 1.033 95 S CA 1.696 59.950 58.200 0.090 0.000 1.010 95 S CB -0.421 62.817 63.200 0.063 0.000 0.891 95 S HN 0.698 nan 8.310 nan 0.000 0.442 96 Q N 0.248 120.088 119.800 0.067 0.000 2.197 96 Q HA -0.075 4.270 4.340 0.009 0.000 0.207 96 Q C 2.071 178.088 176.000 0.027 0.000 0.984 96 Q CA 1.530 57.379 55.803 0.075 0.000 0.869 96 Q CB -0.344 28.405 28.738 0.019 0.000 0.906 96 Q HN 0.539 nan 8.270 nan 0.000 0.426 97 L N -0.761 120.417 121.223 -0.075 0.000 2.492 97 L HA 0.135 4.481 4.340 0.009 0.000 0.223 97 L C 1.153 178.091 176.870 0.114 0.000 1.132 97 L CA 0.221 55.031 54.840 -0.051 0.000 0.850 97 L CB -0.315 41.665 42.059 -0.131 0.000 0.966 97 L HN 0.343 nan 8.230 nan 0.000 0.454 98 G N 0.302 109.182 108.800 0.133 0.000 2.356 98 G HA2 -0.357 3.608 3.960 0.009 0.000 0.296 98 G HA3 -0.357 3.608 3.960 0.009 0.000 0.296 98 G C -0.092 174.912 174.900 0.174 0.000 1.022 98 G CA 0.124 45.304 45.100 0.132 0.000 0.961 98 G HN 0.371 nan 8.290 nan 0.000 0.510 99 Y N 1.367 121.714 120.300 0.077 0.000 2.336 99 Y HA 0.413 4.969 4.550 0.009 0.000 0.335 99 Y C 1.252 177.217 175.900 0.108 0.000 1.046 99 Y CA -0.793 57.371 58.100 0.106 0.000 1.198 99 Y CB 1.006 39.569 38.460 0.172 0.000 1.182 99 Y HN 0.250 nan 8.280 nan 0.000 0.502 100 D N 2.306 122.447 120.400 -0.433 0.000 2.349 100 D HA 0.123 4.768 4.640 0.009 0.000 0.214 100 D C 1.028 177.023 176.300 -0.508 0.000 1.063 100 D CA 0.294 54.083 54.000 -0.351 0.000 0.847 100 D CB -0.070 40.612 40.800 -0.196 0.000 0.933 100 D HN 0.677 nan 8.370 nan 0.000 0.513 101 G N 0.416 108.523 108.800 -1.156 0.000 2.504 101 G HA2 0.199 4.164 3.960 0.009 0.000 0.257 101 G HA3 0.199 4.164 3.960 0.009 0.000 0.257 101 G C -0.404 174.432 174.900 -0.107 0.000 1.451 101 G CA -0.671 44.072 45.100 -0.595 0.000 1.059 101 G HN 0.170 nan 8.290 nan 0.000 0.550 102 K N -0.266 120.246 120.400 0.187 0.000 2.159 102 K HA 0.524 4.849 4.320 0.009 0.000 0.266 102 K C -0.496 176.233 176.600 0.214 0.000 0.975 102 K CA -0.386 55.968 56.287 0.113 0.000 0.865 102 K CB 1.049 33.547 32.500 -0.004 0.000 1.087 102 K HN 0.629 nan 8.250 nan 0.000 0.446 103 T N -0.169 114.391 114.554 0.010 0.000 2.887 103 T HA 0.356 4.712 4.350 0.009 0.000 0.292 103 T C -0.551 174.062 174.700 -0.146 0.000 1.087 103 T CA -0.969 61.102 62.100 -0.048 0.000 1.009 103 T CB 1.496 70.202 68.868 -0.269 0.000 1.203 103 T HN 0.680 nan 8.240 nan 0.000 0.518 104 D N -0.028 120.353 120.400 -0.032 0.000 2.588 104 D HA 0.542 5.187 4.640 0.009 0.000 0.268 104 D C 1.547 177.813 176.300 -0.057 0.000 1.176 104 D CA -0.506 53.451 54.000 -0.072 0.000 1.080 104 D CB 0.518 41.340 40.800 0.037 0.000 1.186 104 D HN 0.675 nan 8.370 nan 0.000 0.619 105 A N -0.642 122.149 122.820 -0.048 0.000 2.125 105 A HA -0.120 4.205 4.320 0.009 0.000 0.219 105 A C 2.010 179.577 177.584 -0.028 0.000 1.156 105 A CA 0.961 52.973 52.037 -0.041 0.000 0.671 105 A CB -0.599 18.380 19.000 -0.035 0.000 0.794 105 A HN 0.523 nan 8.150 nan 0.000 0.459 106 R N -1.645 118.837 120.500 -0.030 0.000 2.276 106 R HA 0.208 4.554 4.340 0.009 0.000 0.196 106 R C 1.340 177.650 176.300 0.018 0.000 0.961 106 R CA 0.552 56.652 56.100 -0.000 0.000 1.024 106 R CB -0.023 30.233 30.300 -0.073 0.000 0.940 106 R HN 0.648 nan 8.270 nan 0.000 0.480 107 G N 0.886 109.650 108.800 -0.059 0.000 2.157 107 G HA2 -0.259 3.706 3.960 0.009 0.000 0.248 107 G HA3 -0.259 3.706 3.960 0.009 0.000 0.248 107 G C 0.194 174.913 174.900 -0.302 0.000 0.979 107 G CA 0.179 45.173 45.100 -0.177 0.000 0.650 107 G HN 0.293 nan 8.290 nan 0.000 0.529 108 T N 1.314 115.802 114.554 -0.110 0.000 2.916 108 T HA 0.449 4.805 4.350 0.009 0.000 0.303 108 T C 0.285 174.955 174.700 -0.050 0.000 1.025 108 T CA 0.354 62.423 62.100 -0.052 0.000 1.142 108 T CB 0.528 69.381 68.868 -0.026 0.000 0.947 108 T HN 0.218 nan 8.240 nan 0.000 0.544 109 F N 2.350 122.343 119.950 0.072 0.000 2.394 109 F HA 0.521 5.053 4.527 0.009 0.000 0.340 109 F C 0.230 176.252 175.800 0.369 0.000 1.105 109 F CA -0.895 57.218 58.000 0.189 0.000 1.124 109 F CB 0.588 39.497 39.000 -0.151 0.000 1.145 109 F HN 0.469 nan 8.300 nan 0.000 0.505 110 F N 0.535 120.767 119.950 0.470 0.000 2.507 110 F HA 0.600 5.132 4.527 0.010 0.000 0.327 110 F C 0.895 176.940 175.800 0.409 0.000 1.068 110 F CA -1.142 57.105 58.000 0.412 0.000 0.965 110 F CB 1.452 40.582 39.000 0.217 0.000 1.192 110 F HN 0.559 nan 8.300 nan 0.000 0.476 111 G N 0.954 109.906 108.800 0.253 0.000 2.544 111 G HA2 0.162 4.127 3.960 0.009 0.000 0.242 111 G HA3 0.162 4.127 3.960 0.009 0.000 0.242 111 G C 0.142 175.023 174.900 -0.032 0.000 1.247 111 G CA -0.235 44.674 45.100 -0.318 0.000 0.840 111 G HN 0.873 nan 8.290 nan 0.000 0.578 112 E N -0.095 120.028 120.200 -0.128 0.000 2.364 112 E HA 0.068 4.423 4.350 0.009 0.000 0.196 112 E C 0.641 177.257 176.600 0.027 0.000 0.990 112 E CA 0.489 56.902 56.400 0.022 0.000 0.886 112 E CB 0.407 30.136 29.700 0.049 0.000 0.866 112 E HN 0.361 nan 8.360 nan 0.000 0.493 113 K N 0.446 120.862 120.400 0.026 0.000 2.281 113 K HA 0.561 4.887 4.320 0.009 0.000 0.242 113 K C -0.759 175.948 176.600 0.179 0.000 0.971 113 K CA -0.826 55.516 56.287 0.092 0.000 0.834 113 K CB 1.942 34.486 32.500 0.074 0.000 1.181 113 K HN -0.059 nan 8.250 nan 0.000 0.435 114 A N 0.498 123.398 122.820 0.133 0.000 2.567 114 A HA 0.331 4.656 4.320 0.009 0.000 0.240 114 A C 1.132 178.774 177.584 0.097 0.000 1.053 114 A CA 1.359 53.455 52.037 0.098 0.000 0.755 114 A CB -0.950 18.091 19.000 0.068 0.000 0.978 114 A HN 0.958 nan 8.150 nan 0.000 0.507 115 G N 0.879 109.667 108.800 -0.021 0.000 2.175 115 G HA2 -0.274 3.692 3.960 0.009 0.000 0.244 115 G HA3 -0.274 3.692 3.960 0.009 0.000 0.244 115 G C 0.173 174.751 174.900 -0.536 0.000 0.982 115 G CA 0.918 45.874 45.100 -0.239 0.000 0.641 115 G HN 1.065 nan 8.290 nan 0.000 0.527 116 Y N 0.150 120.454 120.300 0.007 0.000 2.717 116 Y HA 0.261 4.817 4.550 0.009 0.000 0.250 116 Y C 2.261 178.125 175.900 -0.060 0.000 1.149 116 Y CA 0.607 58.661 58.100 -0.077 0.000 1.211 116 Y CB 0.266 38.570 38.460 -0.260 0.000 1.289 116 Y HN 0.327 nan 8.280 nan 0.000 0.552 117 T N -3.810 110.810 114.554 0.110 0.000 3.118 117 T HA -0.102 4.253 4.350 0.009 0.000 0.260 117 T C 1.617 176.445 174.700 0.214 0.000 1.139 117 T CA 1.375 63.567 62.100 0.153 0.000 1.085 117 T CB -0.381 68.564 68.868 0.127 0.000 0.934 117 T HN 0.373 nan 8.240 nan 0.000 0.518 118 T N -1.078 113.571 114.554 0.159 0.000 3.069 118 T HA 0.586 4.942 4.350 0.009 0.000 0.252 118 T C 0.871 175.653 174.700 0.136 0.000 1.053 118 T CA -0.050 62.143 62.100 0.156 0.000 0.964 118 T CB -0.237 68.707 68.868 0.127 0.000 1.005 118 T HN 0.515 nan 8.240 nan 0.000 0.532 119 A N 1.290 124.203 122.820 0.157 0.000 2.477 119 A HA 0.578 4.903 4.320 0.009 0.000 0.246 119 A C -0.069 177.672 177.584 0.263 0.000 1.078 119 A CA -0.229 51.949 52.037 0.235 0.000 0.770 119 A CB 0.144 19.167 19.000 0.037 0.000 1.011 119 A HN 0.544 nan 8.150 nan 0.000 0.494 120 Q N 0.012 119.975 119.800 0.272 0.000 2.375 120 Q HA 0.666 5.011 4.340 0.009 0.000 0.271 120 Q C -1.093 174.942 176.000 0.057 0.000 1.074 120 Q CA -0.401 55.435 55.803 0.055 0.000 0.808 120 Q CB 2.618 31.207 28.738 -0.248 0.000 1.327 120 Q HN 0.715 nan 8.270 nan 0.000 0.441 121 V N 1.610 121.407 119.914 -0.194 0.000 2.888 121 V HA 0.517 4.643 4.120 0.009 0.000 0.309 121 V C -1.575 174.353 176.094 -0.277 0.000 1.114 121 V CA -0.584 61.420 62.300 -0.493 0.000 0.940 121 V CB 2.229 33.326 31.823 -1.211 0.000 1.021 121 V HN 0.727 nan 8.190 nan 0.000 0.426 122 E N 5.951 125.982 120.200 -0.283 0.000 2.191 122 E HA 0.498 4.853 4.350 0.009 0.000 0.278 122 E C -1.077 175.361 176.600 -0.270 0.000 0.972 122 E CA -0.616 55.730 56.400 -0.089 0.000 0.804 122 E CB 2.242 31.962 29.700 0.034 0.000 1.110 122 E HN 0.441 nan 8.360 nan 0.000 0.394 123 I N 4.012 124.490 120.570 -0.153 0.000 2.382 123 I HA 0.335 4.510 4.170 0.009 0.000 0.286 123 I C -0.321 175.727 176.117 -0.116 0.000 1.002 123 I CA -0.671 60.445 61.300 -0.306 0.000 1.135 123 I CB 0.425 38.085 38.000 -0.565 0.000 1.288 123 I HN 0.314 nan 8.210 nan 0.000 0.448 124 L N 5.046 126.184 121.223 -0.142 0.000 2.309 124 L HA 0.935 5.281 4.340 0.009 0.000 0.261 124 L C 0.482 177.468 176.870 0.192 0.000 1.021 124 L CA -0.422 54.427 54.840 0.016 0.000 0.823 124 L CB 2.041 44.060 42.059 -0.066 0.000 1.366 124 L HN 0.625 nan 8.230 nan 0.000 0.423 125 G N 0.047 109.023 108.800 0.295 0.000 2.542 125 G HA2 0.660 4.625 3.960 0.009 0.000 0.311 125 G HA3 0.660 4.625 3.960 0.009 0.000 0.311 125 G C -1.503 173.361 174.900 -0.059 0.000 1.298 125 G CA -0.542 44.618 45.100 0.101 0.000 0.973 125 G HN 0.429 nan 8.290 nan 0.000 0.487 126 K N 0.384 120.537 120.400 -0.412 0.000 2.130 126 K HA 0.600 4.926 4.320 0.009 0.000 0.268 126 K C -1.436 174.779 176.600 -0.642 0.000 0.983 126 K CA -0.520 55.402 56.287 -0.609 0.000 0.893 126 K CB 1.032 32.980 32.500 -0.920 0.000 1.066 126 K HN 0.497 nan 8.250 nan 0.000 0.450 127 Y N 1.764 121.974 120.300 -0.150 0.000 2.391 127 Y HA 0.140 4.696 4.550 0.009 0.000 0.341 127 Y C 0.013 175.856 175.900 -0.094 0.000 0.965 127 Y CA -1.268 56.783 58.100 -0.082 0.000 1.067 127 Y CB 1.281 39.708 38.460 -0.054 0.000 1.199 127 Y HN 0.748 nan 8.280 nan 0.000 0.450 128 D N 1.104 121.543 120.400 0.066 0.000 2.346 128 D HA 0.164 4.810 4.640 0.009 0.000 0.249 128 D C 1.212 177.519 176.300 0.012 0.000 1.308 128 D CA 0.104 54.118 54.000 0.024 0.000 0.987 128 D CB 0.581 41.405 40.800 0.039 0.000 1.114 128 D HN 0.550 nan 8.370 nan 0.000 0.529 129 A N -0.815 122.000 122.820 -0.008 0.000 2.019 129 A HA -0.168 4.158 4.320 0.009 0.000 0.219 129 A C 1.784 179.335 177.584 -0.055 0.000 1.164 129 A CA 1.101 53.122 52.037 -0.027 0.000 0.644 129 A CB -0.528 18.460 19.000 -0.021 0.000 0.805 129 A HN 0.478 nan 8.150 nan 0.000 0.449 130 Q N -1.373 118.382 119.800 -0.076 0.000 2.320 130 Q HA 0.236 4.582 4.340 0.009 0.000 0.201 130 Q C 1.163 176.952 176.000 -0.352 0.000 0.910 130 Q CA 0.710 56.404 55.803 -0.182 0.000 0.946 130 Q CB 0.150 28.802 28.738 -0.143 0.000 1.062 130 Q HN 0.956 nan 8.270 nan 0.000 0.503 131 G N 0.586 109.254 108.800 -0.219 0.000 2.194 131 G HA2 -0.254 3.712 3.960 0.009 0.000 0.236 131 G HA3 -0.254 3.712 3.960 0.009 0.000 0.236 131 G C -0.145 174.736 174.900 -0.033 0.000 0.987 131 G CA -0.017 44.983 45.100 -0.168 0.000 0.635 131 G HN 0.538 nan 8.290 nan 0.000 0.520 132 H N -0.351 118.794 119.070 0.126 0.000 2.732 132 H HA 0.469 5.031 4.556 0.009 0.000 0.351 132 H C 0.609 176.024 175.328 0.145 0.000 1.090 132 H CA -0.445 55.677 56.048 0.123 0.000 1.431 132 H CB 1.281 31.063 29.762 0.032 0.000 1.447 132 H HN 0.268 nan 8.280 nan 0.000 0.582 133 L N 2.779 124.119 121.223 0.196 0.000 2.462 133 L HA 0.020 4.365 4.340 0.009 0.000 0.272 133 L C 1.164 177.962 176.870 -0.121 0.000 1.166 133 L CA 0.613 55.364 54.840 -0.149 0.000 0.880 133 L CB 0.573 42.539 42.059 -0.155 0.000 1.142 133 L HN 0.949 nan 8.230 nan 0.000 0.473 134 T N 0.380 114.815 114.554 -0.197 0.000 2.978 134 T HA 0.294 4.649 4.350 0.009 0.000 0.248 134 T C 0.488 175.110 174.700 -0.130 0.000 1.018 134 T CA -0.048 61.971 62.100 -0.136 0.000 1.026 134 T CB 0.074 68.859 68.868 -0.138 0.000 1.032 134 T HN 0.593 nan 8.240 nan 0.000 0.485 135 E N -0.177 119.927 120.200 -0.160 0.000 2.372 135 E HA 0.582 4.937 4.350 0.009 0.000 0.279 135 E C -1.894 174.763 176.600 0.095 0.000 0.946 135 E CA -0.836 55.537 56.400 -0.045 0.000 0.769 135 E CB 2.329 31.961 29.700 -0.113 0.000 1.230 135 E HN 0.306 nan 8.360 nan 0.000 0.442 136 I N 2.054 122.736 120.570 0.187 0.000 2.433 136 I HA 0.486 4.662 4.170 0.009 0.000 0.292 136 I C 0.292 176.468 176.117 0.098 0.000 1.001 136 I CA -0.706 60.713 61.300 0.198 0.000 1.119 136 I CB 2.018 40.102 38.000 0.141 0.000 1.289 136 I HN 0.503 nan 8.210 nan 0.000 0.438 137 G N 6.711 115.431 108.800 -0.134 0.000 2.372 137 G HA2 0.741 4.707 3.960 0.009 0.000 0.323 137 G HA3 0.741 4.707 3.960 0.009 0.000 0.323 137 G C -0.757 173.837 174.900 -0.510 0.000 1.152 137 G CA -0.428 44.315 45.100 -0.595 0.000 0.906 137 G HN 0.507 nan 8.290 nan 0.000 0.460 138 I N 2.032 122.287 120.570 -0.526 0.000 2.390 138 I HA 0.441 4.617 4.170 0.009 0.000 0.283 138 I C 0.301 176.004 176.117 -0.690 0.000 1.016 138 I CA -0.681 60.222 61.300 -0.661 0.000 1.151 138 I CB 1.941 39.504 38.000 -0.728 0.000 1.293 138 I HN 0.508 nan 8.210 nan 0.000 0.458 139 A N 7.203 129.627 122.820 -0.660 0.000 2.316 139 A HA 0.674 4.999 4.320 0.009 0.000 0.324 139 A C -0.696 176.585 177.584 -0.505 0.000 1.375 139 A CA -0.363 51.382 52.037 -0.487 0.000 0.882 139 A CB -0.041 18.747 19.000 -0.353 0.000 1.152 139 A HN 0.515 nan 8.150 nan 0.000 0.512 140 F N 1.593 121.414 119.950 -0.214 0.000 2.467 140 F HA 0.315 4.847 4.527 0.009 0.000 0.362 140 F C 1.257 176.951 175.800 -0.176 0.000 1.090 140 F CA 0.112 58.025 58.000 -0.145 0.000 1.202 140 F CB 0.758 39.745 39.000 -0.022 0.000 1.113 140 F HN 0.575 nan 8.300 nan 0.000 0.541 141 R N 1.868 122.359 120.500 -0.016 0.000 2.491 141 R HA 0.346 4.691 4.340 0.009 0.000 0.283 141 R C 0.620 176.872 176.300 -0.081 0.000 1.072 141 R CA -0.154 55.819 56.100 -0.210 0.000 1.048 141 R CB 0.423 30.622 30.300 -0.169 0.000 0.983 141 R HN 0.901 nan 8.270 nan 0.000 0.450 142 G N 1.690 110.363 108.800 -0.212 0.000 2.611 142 G HA2 0.015 3.981 3.960 0.009 0.000 0.273 142 G HA3 0.015 3.981 3.960 0.009 0.000 0.273 142 G C -0.584 174.480 174.900 0.274 0.000 1.305 142 G CA -0.558 44.644 45.100 0.170 0.000 1.010 142 G HN 0.610 nan 8.290 nan 0.000 0.509 143 T N 0.592 115.330 114.554 0.307 0.000 2.923 143 T HA 0.355 4.711 4.350 0.009 0.000 0.304 143 T C 0.508 175.382 174.700 0.289 0.000 1.044 143 T CA 1.356 63.611 62.100 0.258 0.000 1.141 143 T CB -0.104 68.900 68.868 0.227 0.000 1.023 143 T HN 2.023 nan 8.240 nan 0.000 0.533 144 S N 0.601 116.420 115.700 0.197 0.000 3.540 144 S HA 0.341 4.816 4.470 0.009 0.000 0.712 144 S C -0.458 174.223 174.600 0.135 0.000 0.823 144 S CA -0.689 57.612 58.200 0.169 0.000 1.177 144 S CB -0.926 62.398 63.200 0.206 0.000 0.798 144 S HN 1.632 nan 8.310 nan 0.000 0.328 145 G N -0.102 108.757 108.800 0.098 0.000 2.706 145 G HA2 0.801 4.766 3.960 0.009 0.000 0.307 145 G HA3 0.801 4.766 3.960 0.009 0.000 0.307 145 G C -3.570 171.356 174.900 0.042 0.000 1.307 145 G CA -0.948 44.182 45.100 0.049 0.000 0.790 145 G HN 0.749 nan 8.290 nan 0.000 0.503 146 P HA 0.149 nan 4.420 nan 0.000 0.264 146 P C 0.897 178.212 177.300 0.026 0.000 1.183 146 P CA -0.024 63.079 63.100 0.005 0.000 0.763 146 P CB 0.701 32.431 31.700 0.050 0.000 0.807 147 R N 2.240 122.746 120.500 0.010 0.000 2.140 147 R HA -0.265 4.081 4.340 0.009 0.000 0.250 147 R C 1.640 177.948 176.300 0.013 0.000 1.150 147 R CA 1.862 57.970 56.100 0.013 0.000 0.966 147 R CB -0.432 29.868 30.300 0.001 0.000 0.869 147 R HN 0.561 nan 8.270 nan 0.000 0.445 148 E N -0.258 119.948 120.200 0.011 0.000 2.187 148 E HA -0.186 4.169 4.350 0.009 0.000 0.199 148 E C 0.944 177.559 176.600 0.025 0.000 1.004 148 E CA 1.246 57.654 56.400 0.013 0.000 0.813 148 E CB -0.105 29.605 29.700 0.017 0.000 0.736 148 E HN 0.359 nan 8.360 nan 0.000 0.468 149 N N -0.581 118.144 118.700 0.041 0.000 2.471 149 N HA 0.015 4.760 4.740 0.009 0.000 0.270 149 N C 0.640 176.183 175.510 0.056 0.000 1.490 149 N CA -0.085 52.995 53.050 0.051 0.000 0.850 149 N CB 0.233 38.761 38.487 0.070 0.000 1.411 149 N HN -0.008 nan 8.380 nan 0.000 0.488 150 L N 1.173 122.423 121.223 0.046 0.000 1.997 150 L HA -0.196 4.149 4.340 0.009 0.000 0.216 150 L C 1.757 178.655 176.870 0.047 0.000 1.074 150 L CA 1.957 56.826 54.840 0.048 0.000 0.763 150 L CB -0.349 41.733 42.059 0.039 0.000 0.890 150 L HN 0.287 nan 8.230 nan 0.000 0.434 151 I N -1.318 119.274 120.570 0.036 0.000 2.193 151 I HA -0.226 3.949 4.170 0.009 0.000 0.240 151 I C 2.532 178.668 176.117 0.032 0.000 1.084 151 I CA 1.154 62.471 61.300 0.028 0.000 1.365 151 I CB -1.182 36.829 38.000 0.019 0.000 1.064 151 I HN 0.258 nan 8.210 nan 0.000 0.410 152 L N 0.813 122.057 121.223 0.035 0.000 2.042 152 L HA -0.251 4.095 4.340 0.009 0.000 0.210 152 L C 2.401 179.303 176.870 0.053 0.000 1.076 152 L CA 1.842 56.705 54.840 0.039 0.000 0.749 152 L CB -0.712 41.371 42.059 0.040 0.000 0.893 152 L HN 0.314 nan 8.230 nan 0.000 0.432 153 D N -1.045 119.396 120.400 0.069 0.000 2.097 153 D HA -0.169 4.476 4.640 0.009 0.000 0.195 153 D C 2.050 178.397 176.300 0.079 0.000 0.989 153 D CA 1.611 55.664 54.000 0.088 0.000 0.827 153 D CB 0.304 41.166 40.800 0.103 0.000 0.966 153 D HN 0.304 nan 8.370 nan 0.000 0.456 154 S N 0.356 116.098 115.700 0.069 0.000 2.383 154 S HA -0.149 4.327 4.470 0.009 0.000 0.229 154 S C 2.208 176.837 174.600 0.049 0.000 1.030 154 S CA 0.636 58.874 58.200 0.064 0.000 1.002 154 S CB -0.196 63.033 63.200 0.048 0.000 0.829 154 S HN 0.345 nan 8.310 nan 0.000 0.467 155 I N 1.502 122.094 120.570 0.037 0.000 2.179 155 I HA -0.161 4.014 4.170 0.009 0.000 0.242 155 I C 2.736 178.871 176.117 0.029 0.000 1.088 155 I CA 1.223 62.538 61.300 0.024 0.000 1.357 155 I CB -0.881 37.128 38.000 0.016 0.000 1.051 155 I HN 0.383 nan 8.210 nan 0.000 0.409 156 G N 0.334 109.159 108.800 0.041 0.000 2.442 156 G HA2 -0.258 3.708 3.960 0.009 0.000 0.219 156 G HA3 -0.258 3.708 3.960 0.009 0.000 0.219 156 G C 1.274 176.211 174.900 0.062 0.000 1.141 156 G CA 1.078 46.204 45.100 0.043 0.000 0.763 156 G HN 0.305 nan 8.290 nan 0.000 0.554 157 D N 0.139 120.590 120.400 0.085 0.000 2.117 157 D HA -0.063 4.582 4.640 0.009 0.000 0.198 157 D C 2.779 179.128 176.300 0.081 0.000 0.982 157 D CA 0.675 54.742 54.000 0.112 0.000 0.828 157 D CB -0.378 40.498 40.800 0.126 0.000 0.967 157 D HN 0.216 nan 8.370 nan 0.000 0.464 158 V N 1.334 121.283 119.914 0.057 0.000 2.515 158 V HA -0.178 3.948 4.120 0.009 0.000 0.250 158 V C 2.501 178.606 176.094 0.018 0.000 1.058 158 V CA 0.863 63.187 62.300 0.039 0.000 1.064 158 V CB -0.314 31.521 31.823 0.021 0.000 0.675 158 V HN 0.166 nan 8.190 nan 0.000 0.461 159 I N 0.678 121.252 120.570 0.006 0.000 2.163 159 I HA -0.292 3.883 4.170 0.009 0.000 0.243 159 I C 2.246 178.330 176.117 -0.054 0.000 1.085 159 I CA 2.135 63.419 61.300 -0.026 0.000 1.347 159 I CB -0.612 37.369 38.000 -0.031 0.000 1.044 159 I HN 0.420 nan 8.210 nan 0.000 0.408 160 N N 0.636 119.341 118.700 0.009 0.000 2.069 160 N HA -0.212 4.534 4.740 0.009 0.000 0.191 160 N C 1.413 176.936 175.510 0.021 0.000 1.031 160 N CA 1.453 54.559 53.050 0.093 0.000 0.852 160 N CB -0.129 38.526 38.487 0.280 0.000 1.018 160 N HN 0.322 nan 8.380 nan 0.000 0.423 161 D N 1.017 121.425 120.400 0.013 0.000 2.104 161 D HA -0.138 4.508 4.640 0.009 0.000 0.194 161 D C 2.020 178.292 176.300 -0.047 0.000 0.994 161 D CA 0.944 54.941 54.000 -0.004 0.000 0.830 161 D CB -0.316 40.509 40.800 0.042 0.000 0.959 161 D HN 0.299 nan 8.370 nan 0.000 0.452 162 L N 0.197 121.397 121.223 -0.038 0.000 2.109 162 L HA -0.075 4.270 4.340 0.009 0.000 0.207 162 L C 2.588 179.393 176.870 -0.108 0.000 1.086 162 L CA 0.379 55.222 54.840 0.005 0.000 0.760 162 L CB -0.287 41.829 42.059 0.094 0.000 0.910 162 L HN -0.003 nan 8.230 nan 0.000 0.437 163 L N -0.215 120.831 121.223 -0.294 0.000 2.131 163 L HA -0.182 4.164 4.340 0.009 0.000 0.210 163 L C 2.869 179.428 176.870 -0.519 0.000 1.092 163 L CA 0.985 55.465 54.840 -0.600 0.000 0.759 163 L CB -0.662 40.610 42.059 -1.312 0.000 0.903 163 L HN 0.251 nan 8.230 nan 0.000 0.435 164 A N -0.090 122.569 122.820 -0.269 0.000 1.978 164 A HA -0.172 4.153 4.320 0.009 0.000 0.220 164 A C 2.445 179.945 177.584 -0.140 0.000 1.170 164 A CA 1.890 53.924 52.037 -0.004 0.000 0.636 164 A CB -0.504 18.514 19.000 0.029 0.000 0.810 164 A HN 0.426 nan 8.150 nan 0.000 0.448 165 A N -2.192 120.430 122.820 -0.330 0.000 1.943 165 A HA 0.383 4.708 4.320 0.009 0.000 0.213 165 A C 1.416 178.513 177.584 -0.812 0.000 1.181 165 A CA 1.116 52.756 52.037 -0.663 0.000 0.653 165 A CB -0.153 18.169 19.000 -1.130 0.000 0.833 165 A HN 0.463 nan 8.150 nan 0.000 0.451 166 F N -1.222 118.635 119.950 -0.154 0.000 2.746 166 F HA 0.350 4.882 4.527 0.009 0.000 0.320 166 F C 1.464 177.186 175.800 -0.130 0.000 1.097 166 F CA -0.420 57.476 58.000 -0.173 0.000 1.195 166 F CB -0.110 38.753 39.000 -0.228 0.000 1.056 166 F HN 0.227 nan 8.300 nan 0.000 0.562 167 G N 0.296 109.073 108.800 -0.038 0.000 2.641 167 G HA2 0.454 4.420 3.960 0.009 0.000 0.239 167 G HA3 0.454 4.420 3.960 0.009 0.000 0.239 167 G C -2.336 172.583 174.900 0.032 0.000 1.402 167 G CA -1.188 43.883 45.100 -0.049 0.000 1.046 167 G HN -0.163 nan 8.290 nan 0.000 0.565 168 P HA 0.173 nan 4.420 nan 0.000 0.266 168 P C -0.155 177.220 177.300 0.124 0.000 1.195 168 P CA -0.112 63.058 63.100 0.116 0.000 0.768 168 P CB 0.527 32.327 31.700 0.166 0.000 0.838 169 K N 3.087 123.538 120.400 0.084 0.000 2.527 169 K HA -0.078 4.248 4.320 0.009 0.000 0.278 169 K C 0.345 176.996 176.600 0.084 0.000 0.981 169 K CA 0.792 57.121 56.287 0.070 0.000 1.009 169 K CB -0.308 32.220 32.500 0.047 0.000 0.895 169 K HN 0.701 nan 8.250 nan 0.000 0.493 170 D N 1.334 121.779 120.400 0.075 0.000 2.911 170 D HA -0.340 4.305 4.640 0.009 0.000 0.227 170 D C 0.113 176.467 176.300 0.090 0.000 1.164 170 D CA 1.656 55.694 54.000 0.063 0.000 0.782 170 D CB -2.044 38.770 40.800 0.025 0.000 1.094 170 D HN 0.721 nan 8.370 nan 0.000 0.425 171 Y N 0.351 120.677 120.300 0.043 0.000 2.081 171 Y HA -0.170 4.386 4.550 0.009 0.000 0.280 171 Y C 2.647 178.610 175.900 0.105 0.000 1.163 171 Y CA 3.185 61.336 58.100 0.085 0.000 1.135 171 Y CB -0.716 37.790 38.460 0.076 0.000 0.970 171 Y HN 0.298 nan 8.280 nan 0.000 0.498 172 A N 0.307 123.244 122.820 0.195 0.000 1.902 172 A HA -0.243 4.082 4.320 0.009 0.000 0.217 172 A C 2.274 179.859 177.584 0.002 0.000 1.181 172 A CA 1.974 54.060 52.037 0.082 0.000 0.623 172 A CB -0.871 18.164 19.000 0.058 0.000 0.818 172 A HN 0.570 nan 8.150 nan 0.000 0.443 173 K N -0.297 120.102 120.400 -0.001 0.000 2.074 173 K HA -0.192 4.134 4.320 0.009 0.000 0.209 173 K C 1.102 177.685 176.600 -0.029 0.000 1.048 173 K CA 1.819 58.096 56.287 -0.017 0.000 0.926 173 K CB -0.200 32.292 32.500 -0.013 0.000 0.713 173 K HN 0.429 nan 8.250 nan 0.000 0.444 174 N N -0.156 118.505 118.700 -0.066 0.000 2.398 174 N HA -0.086 4.659 4.740 0.009 0.000 0.188 174 N C 1.059 176.467 175.510 -0.169 0.000 1.122 174 N CA 0.277 53.258 53.050 -0.115 0.000 0.866 174 N CB -0.010 38.396 38.487 -0.134 0.000 0.970 174 N HN 0.322 nan 8.380 nan 0.000 0.462 175 Y N 1.583 121.715 120.300 -0.280 0.000 2.097 175 Y HA -0.220 4.336 4.550 0.010 0.000 0.282 175 Y C 2.096 177.850 175.900 -0.243 0.000 1.152 175 Y CA 1.486 59.417 58.100 -0.281 0.000 1.136 175 Y CB -0.269 38.099 38.460 -0.152 0.000 0.975 175 Y HN -0.184 nan 8.280 nan 0.000 0.498 176 V N 0.357 120.245 119.914 -0.043 0.000 2.515 176 V HA -0.243 3.882 4.120 0.009 0.000 0.250 176 V C 2.586 178.727 176.094 0.078 0.000 1.058 176 V CA 1.747 64.037 62.300 -0.017 0.000 1.064 176 V CB -1.494 30.343 31.823 0.024 0.000 0.675 176 V HN 0.677 nan 8.190 nan 0.000 0.461 177 G N -0.215 108.618 108.800 0.056 0.000 2.446 177 G HA2 -0.231 3.734 3.960 0.009 0.000 0.217 177 G HA3 -0.231 3.734 3.960 0.009 0.000 0.217 177 G C 1.489 176.297 174.900 -0.154 0.000 1.168 177 G CA 0.800 45.911 45.100 0.018 0.000 0.771 177 G HN 0.485 nan 8.290 nan 0.000 0.551 178 E N 0.851 120.789 120.200 -0.437 0.000 2.028 178 E HA -0.002 4.353 4.350 0.009 0.000 0.190 178 E C 2.939 179.094 176.600 -0.742 0.000 0.984 178 E CA 1.106 57.082 56.400 -0.706 0.000 0.800 178 E CB -0.744 28.140 29.700 -1.361 0.000 0.758 178 E HN 0.348 nan 8.360 nan 0.000 0.448 179 A N -0.079 122.181 122.820 -0.933 0.000 1.929 179 A HA -0.059 4.267 4.320 0.009 0.000 0.216 179 A C 1.173 178.226 177.584 -0.885 0.000 1.176 179 A CA 1.078 52.541 52.037 -0.958 0.000 0.628 179 A CB -0.154 18.102 19.000 -1.240 0.000 0.816 179 A HN 0.194 nan 8.150 nan 0.000 0.444 180 F N -1.574 118.345 119.950 -0.051 0.000 2.859 180 F HA 0.299 4.831 4.527 0.009 0.000 0.324 180 F C 1.907 177.794 175.800 0.146 0.000 1.158 180 F CA -0.574 57.453 58.000 0.045 0.000 1.147 180 F CB -0.326 38.689 39.000 0.024 0.000 1.137 180 F HN 0.167 nan 8.300 nan 0.000 0.516 181 G N 0.784 109.783 108.800 0.332 0.000 2.476 181 G HA2 -0.401 3.564 3.960 0.009 0.000 0.218 181 G HA3 -0.401 3.564 3.960 0.009 0.000 0.218 181 G C 1.697 176.899 174.900 0.505 0.000 1.164 181 G CA 1.694 47.102 45.100 0.514 0.000 0.768 181 G HN 0.383 nan 8.290 nan 0.000 0.560 182 N N 0.078 118.981 118.700 0.339 0.000 2.173 182 N HA -0.045 4.700 4.740 0.009 0.000 0.184 182 N C 2.113 177.825 175.510 0.337 0.000 1.025 182 N CA 1.007 54.250 53.050 0.321 0.000 0.852 182 N CB -0.459 38.189 38.487 0.268 0.000 0.998 182 N HN 0.158 nan 8.380 nan 0.000 0.427 183 L N 0.877 122.309 121.223 0.349 0.000 2.034 183 L HA -0.153 4.192 4.340 0.009 0.000 0.217 183 L C 1.985 178.775 176.870 -0.133 0.000 1.077 183 L CA 1.703 56.505 54.840 -0.062 0.000 0.769 183 L CB -0.822 41.033 42.059 -0.340 0.000 0.890 183 L HN 0.344 nan 8.230 nan 0.000 0.435 184 L N -1.003 120.171 121.223 -0.082 0.000 2.156 184 L HA -0.150 4.196 4.340 0.009 0.000 0.208 184 L C 2.286 179.140 176.870 -0.027 0.000 1.095 184 L CA 0.740 55.403 54.840 -0.295 0.000 0.770 184 L CB -0.749 40.729 42.059 -0.969 0.000 0.914 184 L HN 0.381 nan 8.230 nan 0.000 0.439 185 N N 0.423 119.266 118.700 0.238 0.000 2.069 185 N HA -0.188 4.557 4.740 0.009 0.000 0.191 185 N C 1.380 176.952 175.510 0.103 0.000 1.031 185 N CA 1.501 54.705 53.050 0.257 0.000 0.852 185 N CB -0.290 38.364 38.487 0.278 0.000 1.018 185 N HN 0.307 nan 8.380 nan 0.000 0.423 186 D N 0.268 120.726 120.400 0.096 0.000 2.219 186 D HA -0.054 4.591 4.640 0.009 0.000 0.205 186 D C 2.034 178.345 176.300 0.019 0.000 0.970 186 D CA 0.335 54.377 54.000 0.070 0.000 0.851 186 D CB -0.160 40.711 40.800 0.117 0.000 0.943 186 D HN 0.044 nan 8.370 nan 0.000 0.488 187 V N 0.461 120.352 119.914 -0.038 0.000 2.379 187 V HA -0.175 3.950 4.120 0.009 0.000 0.245 187 V C 2.618 178.706 176.094 -0.011 0.000 1.044 187 V CA 0.818 63.113 62.300 -0.009 0.000 1.036 187 V CB -0.279 31.511 31.823 -0.054 0.000 0.664 187 V HN 0.052 nan 8.190 nan 0.000 0.453 188 V N 0.540 120.355 119.914 -0.165 0.000 2.255 188 V HA -0.318 3.808 4.120 0.009 0.000 0.247 188 V C 2.741 178.530 176.094 -0.508 0.000 1.051 188 V CA 2.294 64.176 62.300 -0.697 0.000 1.018 188 V CB -1.193 30.218 31.823 -0.687 0.000 0.641 188 V HN 0.571 nan 8.190 nan 0.000 0.445 189 A N -0.840 121.855 122.820 -0.207 0.000 1.940 189 A HA -0.253 4.072 4.320 0.009 0.000 0.219 189 A C 2.116 179.687 177.584 -0.021 0.000 1.176 189 A CA 2.138 54.116 52.037 -0.098 0.000 0.631 189 A CB -0.699 18.295 19.000 -0.010 0.000 0.814 189 A HN 0.585 nan 8.150 nan 0.000 0.446 190 F N 0.568 120.455 119.950 -0.106 0.000 2.259 190 F HA 0.133 4.665 4.527 0.009 0.000 0.298 190 F C 2.372 178.143 175.800 -0.048 0.000 1.088 190 F CA 0.845 58.815 58.000 -0.051 0.000 1.358 190 F CB -0.197 38.786 39.000 -0.029 0.000 1.040 190 F HN 0.242 nan 8.300 nan 0.000 0.505 191 A N 0.894 123.699 122.820 -0.026 0.000 1.873 191 A HA -0.159 4.167 4.320 0.009 0.000 0.215 191 A C 2.288 179.810 177.584 -0.103 0.000 1.186 191 A CA 1.686 53.691 52.037 -0.053 0.000 0.616 191 A CB -0.611 18.437 19.000 0.079 0.000 0.823 191 A HN 0.385 nan 8.150 nan 0.000 0.442 192 K N -0.243 120.067 120.400 -0.151 0.000 2.057 192 K HA -0.062 4.264 4.320 0.009 0.000 0.207 192 K C 2.185 178.729 176.600 -0.094 0.000 1.049 192 K CA 1.147 57.380 56.287 -0.090 0.000 0.931 192 K CB -0.389 32.039 32.500 -0.120 0.000 0.714 192 K HN 0.422 nan 8.250 nan 0.000 0.440 193 A N 1.687 124.429 122.820 -0.129 0.000 2.125 193 A HA -0.124 4.202 4.320 0.009 0.000 0.219 193 A C 1.496 178.977 177.584 -0.171 0.000 1.156 193 A CA 1.235 53.195 52.037 -0.128 0.000 0.671 193 A CB -0.213 18.720 19.000 -0.112 0.000 0.794 193 A HN 0.293 nan 8.150 nan 0.000 0.459 194 N N -1.558 117.002 118.700 -0.232 0.000 2.184 194 N HA 0.183 4.928 4.740 0.009 0.000 0.206 194 N C 0.884 176.312 175.510 -0.135 0.000 1.151 194 N CA 0.755 53.671 53.050 -0.223 0.000 0.878 194 N CB 0.809 39.068 38.487 -0.379 0.000 1.014 194 N HN 0.548 nan 8.380 nan 0.000 0.512 195 G N 1.154 109.898 108.800 -0.094 0.000 2.141 195 G HA2 -0.229 3.736 3.960 0.009 0.000 0.242 195 G HA3 -0.229 3.736 3.960 0.009 0.000 0.242 195 G C -0.320 174.566 174.900 -0.024 0.000 0.982 195 G CA -0.067 45.000 45.100 -0.055 0.000 0.662 195 G HN 0.109 nan 8.290 nan 0.000 0.527 196 L N 1.329 122.552 121.223 -0.000 0.000 2.360 196 L HA 0.821 5.167 4.340 0.009 0.000 0.271 196 L C 0.985 177.947 176.870 0.154 0.000 1.057 196 L CA 0.171 55.039 54.840 0.048 0.000 0.803 196 L CB 1.769 43.858 42.059 0.050 0.000 1.207 196 L HN 0.444 nan 8.230 nan 0.000 0.445 197 S N -0.539 115.199 115.700 0.063 0.000 2.837 197 S HA 0.586 5.062 4.470 0.009 0.000 0.314 197 S C 1.059 175.400 174.600 -0.432 0.000 1.098 197 S CA -0.189 57.933 58.200 -0.130 0.000 0.903 197 S CB 0.613 63.706 63.200 -0.178 0.000 1.310 197 S HN 0.682 nan 8.310 nan 0.000 0.581 198 G N 1.224 109.459 108.800 -0.942 0.000 2.469 198 G HA2 -0.265 3.700 3.960 0.009 0.000 0.220 198 G HA3 -0.265 3.700 3.960 0.009 0.000 0.220 198 G C 1.246 176.038 174.900 -0.180 0.000 1.136 198 G CA 1.203 45.908 45.100 -0.659 0.000 0.759 198 G HN 0.880 nan 8.290 nan 0.000 0.562 199 K N 0.219 120.545 120.400 -0.123 0.000 2.365 199 K HA 0.013 4.338 4.320 0.009 0.000 0.199 199 K C 0.748 177.356 176.600 0.013 0.000 1.045 199 K CA 1.298 57.587 56.287 0.005 0.000 0.962 199 K CB 0.074 32.597 32.500 0.038 0.000 0.759 199 K HN 0.154 nan 8.250 nan 0.000 0.469 200 D N 1.678 122.072 120.400 -0.009 0.000 2.319 200 D HA 0.043 4.688 4.640 0.009 0.000 0.230 200 D C -0.271 176.056 176.300 0.046 0.000 1.094 200 D CA 0.171 54.176 54.000 0.009 0.000 0.856 200 D CB 0.569 41.373 40.800 0.007 0.000 0.915 200 D HN 0.012 nan 8.370 nan 0.000 0.517 201 V N 1.791 121.731 119.914 0.043 0.000 2.417 201 V HA 0.329 4.454 4.120 0.009 0.000 0.291 201 V C -0.263 175.789 176.094 -0.069 0.000 1.024 201 V CA -1.018 61.306 62.300 0.040 0.000 0.861 201 V CB 2.226 34.148 31.823 0.164 0.000 0.985 201 V HN -0.063 nan 8.190 nan 0.000 0.436 202 L N 6.311 127.467 121.223 -0.112 0.000 2.322 202 L HA 0.799 5.145 4.340 0.009 0.000 0.281 202 L C -0.689 175.988 176.870 -0.323 0.000 1.014 202 L CA -0.018 54.697 54.840 -0.209 0.000 0.815 202 L CB 1.854 43.837 42.059 -0.128 0.000 1.247 202 L HN 0.456 nan 8.230 nan 0.000 0.421 203 V N 4.484 124.175 119.914 -0.371 0.000 2.487 203 V HA 0.807 4.933 4.120 0.009 0.000 0.298 203 V C -0.112 175.879 176.094 -0.172 0.000 1.028 203 V CA -0.212 61.908 62.300 -0.300 0.000 0.860 203 V CB 1.221 32.868 31.823 -0.294 0.000 0.991 203 V HN 0.911 nan 8.190 nan 0.000 0.427 204 S N 2.331 117.947 115.700 -0.139 0.000 2.776 204 S HA 0.998 5.473 4.470 0.009 0.000 0.292 204 S C -0.414 174.194 174.600 0.012 0.000 1.187 204 S CA 0.174 58.320 58.200 -0.090 0.000 0.834 204 S CB 2.053 65.163 63.200 -0.149 0.000 1.199 204 S HN 1.756 nan 8.310 nan 0.000 0.514 205 G N 0.624 109.452 108.800 0.048 0.000 2.353 205 G HA2 0.295 4.261 3.960 0.009 0.000 0.308 205 G HA3 0.295 4.261 3.960 0.009 0.000 0.308 205 G C -2.058 172.926 174.900 0.140 0.000 1.418 205 G CA -0.719 44.422 45.100 0.067 0.000 0.966 205 G HN 0.876 nan 8.290 nan 0.000 0.638 206 H N 0.393 119.449 119.070 -0.024 0.000 2.572 206 H HA 0.747 5.308 4.556 0.009 0.000 0.359 206 H C 0.780 176.146 175.328 0.063 0.000 1.134 206 H CA 0.902 56.949 56.048 -0.001 0.000 1.187 206 H CB 1.894 31.650 29.762 -0.011 0.000 1.597 206 H HN 1.570 nan 8.280 nan 0.000 0.524 207 S N 2.284 117.798 115.700 -0.311 0.000 4.140 207 S HA -0.337 4.138 4.470 0.009 0.000 0.618 207 S C 1.532 176.138 174.600 0.009 0.000 1.896 207 S CA 1.451 59.619 58.200 -0.053 0.000 4.240 207 S CB -1.354 62.002 63.200 0.259 0.000 0.208 207 S HN 0.660 nan 8.310 nan 0.000 0.487 208 L N 2.894 124.153 121.223 0.059 0.000 2.187 208 L HA 0.173 4.519 4.340 0.009 0.000 0.213 208 L C 2.292 179.123 176.870 -0.065 0.000 1.100 208 L CA 2.949 57.761 54.840 -0.046 0.000 0.765 208 L CB -1.217 40.828 42.059 -0.022 0.000 0.904 208 L HN 0.674 nan 8.230 nan 0.000 0.437 209 G N -1.226 107.593 108.800 0.033 0.000 2.443 209 G HA2 -0.132 3.834 3.960 0.009 0.000 0.219 209 G HA3 -0.132 3.834 3.960 0.009 0.000 0.219 209 G C 1.470 176.393 174.900 0.039 0.000 1.131 209 G CA 0.460 45.608 45.100 0.080 0.000 0.775 209 G HN 0.576 nan 8.290 nan 0.000 0.547 210 G N 0.921 109.717 108.800 -0.006 0.000 2.402 210 G HA2 -0.138 3.827 3.960 0.009 0.000 0.216 210 G HA3 -0.138 3.827 3.960 0.009 0.000 0.216 210 G C 1.735 176.595 174.900 -0.066 0.000 1.162 210 G CA 0.755 45.837 45.100 -0.031 0.000 0.777 210 G HN 0.447 nan 8.290 nan 0.000 0.539 211 L N 0.636 121.796 121.223 -0.105 0.000 2.042 211 L HA 0.011 4.357 4.340 0.009 0.000 0.210 211 L C 3.049 179.803 176.870 -0.194 0.000 1.076 211 L CA 1.842 56.594 54.840 -0.147 0.000 0.749 211 L CB -0.269 41.672 42.059 -0.196 0.000 0.893 211 L HN 0.255 nan 8.230 nan 0.000 0.432 212 A N -0.480 122.180 122.820 -0.267 0.000 1.933 212 A HA -0.147 4.179 4.320 0.009 0.000 0.218 212 A C 2.194 179.484 177.584 -0.490 0.000 1.175 212 A CA 1.833 53.602 52.037 -0.447 0.000 0.628 212 A CB -0.985 17.574 19.000 -0.735 0.000 0.814 212 A HN 0.359 nan 8.150 nan 0.000 0.444 213 V N 1.187 120.977 119.914 -0.206 0.000 2.287 213 V HA -0.315 3.810 4.120 0.009 0.000 0.248 213 V C 2.299 178.386 176.094 -0.011 0.000 1.053 213 V CA 2.227 64.546 62.300 0.033 0.000 1.027 213 V CB -0.962 30.922 31.823 0.101 0.000 0.646 213 V HN 0.602 nan 8.190 nan 0.000 0.447 214 N N -0.157 118.502 118.700 -0.069 0.000 2.188 214 N HA -0.159 4.587 4.740 0.009 0.000 0.184 214 N C 2.176 177.624 175.510 -0.104 0.000 1.018 214 N CA 1.644 54.641 53.050 -0.090 0.000 0.858 214 N CB -0.216 38.230 38.487 -0.068 0.000 0.989 214 N HN 0.494 nan 8.380 nan 0.000 0.426 215 S N 1.613 117.256 115.700 -0.095 0.000 2.359 215 S HA -0.175 4.300 4.470 0.009 0.000 0.222 215 S C 2.015 176.604 174.600 -0.017 0.000 1.038 215 S CA 1.211 59.378 58.200 -0.054 0.000 1.051 215 S CB -0.234 62.945 63.200 -0.035 0.000 0.944 215 S HN 0.268 nan 8.310 nan 0.000 0.433 216 M N 0.726 120.309 119.600 -0.028 0.000 2.108 216 M HA -0.104 4.381 4.480 0.009 0.000 0.261 216 M C 2.137 178.459 176.300 0.036 0.000 1.066 216 M CA 1.783 57.145 55.300 0.102 0.000 1.107 216 M CB -0.508 32.178 32.600 0.145 0.000 1.356 216 M HN 0.508 nan 8.290 nan 0.000 0.406 217 A N 0.151 122.781 122.820 -0.316 0.000 1.902 217 A HA -0.200 4.126 4.320 0.009 0.000 0.217 217 A C 1.708 179.165 177.584 -0.211 0.000 1.181 217 A CA 2.054 53.716 52.037 -0.625 0.000 0.623 217 A CB -0.939 17.550 19.000 -0.852 0.000 0.818 217 A HN 0.537 nan 8.150 nan 0.000 0.443 218 D N -0.057 120.272 120.400 -0.118 0.000 2.149 218 D HA -0.106 4.540 4.640 0.009 0.000 0.198 218 D C 1.673 177.975 176.300 0.003 0.000 0.990 218 D CA 1.088 55.057 54.000 -0.050 0.000 0.839 218 D CB -0.180 40.596 40.800 -0.040 0.000 0.948 218 D HN 0.464 nan 8.370 nan 0.000 0.460 219 L N 0.580 121.843 121.223 0.066 0.000 2.567 219 L HA 0.022 4.367 4.340 0.009 0.000 0.225 219 L C 2.207 179.201 176.870 0.207 0.000 1.119 219 L CA 0.164 55.063 54.840 0.098 0.000 0.871 219 L CB -0.021 42.113 42.059 0.125 0.000 1.036 219 L HN -0.018 nan 8.230 nan 0.000 0.459 220 S N -0.559 115.302 115.700 0.269 0.000 2.428 220 S HA -0.053 4.423 4.470 0.009 0.000 0.230 220 S C 2.056 176.832 174.600 0.293 0.000 1.014 220 S CA 0.723 59.179 58.200 0.425 0.000 0.957 220 S CB -0.548 62.904 63.200 0.419 0.000 0.784 220 S HN 0.386 nan 8.310 nan 0.000 0.499 221 G N 1.613 110.506 108.800 0.155 0.000 2.433 221 G HA2 0.105 4.071 3.960 0.009 0.000 0.216 221 G HA3 0.105 4.071 3.960 0.009 0.000 0.216 221 G C 1.383 176.330 174.900 0.079 0.000 1.186 221 G CA 0.693 45.852 45.100 0.099 0.000 0.779 221 G HN 0.645 nan 8.290 nan 0.000 0.543 222 G N -0.233 108.590 108.800 0.039 0.000 2.545 222 G HA2 0.176 4.141 3.960 0.009 0.000 0.212 222 G HA3 0.176 4.141 3.960 0.009 0.000 0.212 222 G C 0.911 175.773 174.900 -0.063 0.000 1.144 222 G CA 0.001 45.092 45.100 -0.015 0.000 0.813 222 G HN 0.345 nan 8.290 nan 0.000 0.531 223 K N -0.826 119.500 120.400 -0.123 0.000 2.106 223 K HA 0.253 4.578 4.320 0.009 0.000 0.246 223 K C -0.012 176.565 176.600 -0.038 0.000 0.987 223 K CA -0.910 55.137 56.287 -0.400 0.000 0.904 223 K CB 1.015 32.796 32.500 -1.199 0.000 1.071 223 K HN 0.276 nan 8.250 nan 0.000 0.453 224 W N -0.230 121.163 121.300 0.156 0.000 4.233 224 W HA -0.221 4.444 4.660 0.009 0.000 0.328 224 W C 0.698 177.289 176.519 0.119 0.000 1.212 224 W CA 1.096 58.544 57.345 0.172 0.000 0.752 224 W CB -2.453 27.221 29.460 0.357 0.000 2.277 224 W HN 1.095 nan 8.180 nan 0.000 1.465 225 G N -1.092 107.824 108.800 0.193 0.000 2.160 225 G HA2 0.101 4.067 3.960 0.009 0.000 0.244 225 G HA3 0.101 4.067 3.960 0.009 0.000 0.244 225 G C 1.133 176.138 174.900 0.175 0.000 1.022 225 G CA 1.064 46.251 45.100 0.145 0.000 0.741 225 G HN 1.690 nan 8.290 nan 0.000 0.508 226 G N -1.323 107.603 108.800 0.211 0.000 2.180 226 G HA2 -0.286 3.680 3.960 0.009 0.000 0.263 226 G HA3 -0.286 3.680 3.960 0.009 0.000 0.263 226 G C 1.045 176.057 174.900 0.188 0.000 0.989 226 G CA 1.123 46.341 45.100 0.197 0.000 0.692 226 G HN 1.559 nan 8.290 nan 0.000 0.526 227 F N 0.238 120.210 119.950 0.036 0.000 2.126 227 F HA 0.109 4.642 4.527 0.009 0.000 0.299 227 F C 1.934 177.622 175.800 -0.186 0.000 1.096 227 F CA 2.024 59.922 58.000 -0.170 0.000 1.255 227 F CB -0.138 38.618 39.000 -0.406 0.000 0.997 227 F HN 0.165 nan 8.300 nan 0.000 0.479 228 F N -0.169 119.934 119.950 0.255 0.000 2.692 228 F HA 0.332 4.865 4.527 0.009 0.000 0.303 228 F C 1.988 177.927 175.800 0.232 0.000 1.114 228 F CA 0.297 58.406 58.000 0.182 0.000 1.361 228 F CB -1.207 37.967 39.000 0.289 0.000 1.063 228 F HN 0.031 nan 8.300 nan 0.000 0.550 229 A N -0.291 122.696 122.820 0.278 0.000 1.940 229 A HA -0.175 4.150 4.320 0.009 0.000 0.219 229 A C 1.599 179.318 177.584 0.226 0.000 1.176 229 A CA 1.929 54.103 52.037 0.228 0.000 0.631 229 A CB -0.348 18.729 19.000 0.128 0.000 0.814 229 A HN 0.231 nan 8.150 nan 0.000 0.446 230 D N -0.391 120.102 120.400 0.154 0.000 2.559 230 D HA 0.230 4.875 4.640 0.009 0.000 0.234 230 D C -0.060 176.338 176.300 0.163 0.000 1.226 230 D CA 0.030 54.112 54.000 0.137 0.000 0.830 230 D CB 0.420 41.245 40.800 0.042 0.000 1.028 230 D HN 0.201 nan 8.370 nan 0.000 0.492 231 S N 0.866 116.700 115.700 0.223 0.000 2.606 231 S HA 0.166 4.642 4.470 0.009 0.000 0.257 231 S C 0.518 175.127 174.600 0.016 0.000 1.327 231 S CA -0.265 57.965 58.200 0.049 0.000 0.984 231 S CB 0.696 63.857 63.200 -0.064 0.000 0.941 231 S HN 0.175 nan 8.310 nan 0.000 0.576 232 N N 1.222 119.838 118.700 -0.141 0.000 2.425 232 N HA 0.297 5.042 4.740 0.009 0.000 0.268 232 N C -1.679 173.624 175.510 -0.345 0.000 0.991 232 N CA -0.026 53.048 53.050 0.040 0.000 0.931 232 N CB 0.915 39.475 38.487 0.122 0.000 1.130 232 N HN 0.461 nan 8.380 nan 0.000 0.493 233 Y N 2.027 122.366 120.300 0.065 0.000 2.376 233 Y HA 0.481 5.037 4.550 0.009 0.000 0.326 233 Y C 0.113 175.869 175.900 -0.239 0.000 0.970 233 Y CA -0.607 57.467 58.100 -0.042 0.000 1.248 233 Y CB 1.073 39.582 38.460 0.082 0.000 1.117 233 Y HN 0.292 nan 8.280 nan 0.000 0.476 234 I N 3.460 123.901 120.570 -0.215 0.000 2.420 234 I HA 0.617 4.792 4.170 0.009 0.000 0.282 234 I C -0.252 175.612 176.117 -0.421 0.000 1.019 234 I CA -0.811 60.269 61.300 -0.367 0.000 1.130 234 I CB 1.250 38.949 38.000 -0.503 0.000 1.262 234 I HN 0.618 nan 8.210 nan 0.000 0.454 235 A N 6.279 128.898 122.820 -0.335 0.000 2.305 235 A HA 0.748 5.073 4.320 0.009 0.000 0.322 235 A C -1.335 175.972 177.584 -0.462 0.000 1.187 235 A CA -0.253 51.607 52.037 -0.295 0.000 0.825 235 A CB 0.467 19.418 19.000 -0.082 0.000 1.164 235 A HN 0.565 nan 8.150 nan 0.000 0.498 236 Y N 0.971 121.200 120.300 -0.118 0.000 2.341 236 Y HA 0.476 5.032 4.550 0.009 0.000 0.337 236 Y C 1.002 176.682 175.900 -0.367 0.000 1.014 236 Y CA 0.100 58.056 58.100 -0.240 0.000 1.111 236 Y CB 1.736 40.008 38.460 -0.313 0.000 1.194 236 Y HN 1.271 nan 8.280 nan 0.000 0.462 237 A N 1.933 124.651 122.820 -0.169 0.000 2.783 237 A HA -0.235 4.091 4.320 0.009 0.000 0.292 237 A C 0.688 178.333 177.584 0.102 0.000 1.495 237 A CA 0.859 52.869 52.037 -0.046 0.000 0.787 237 A CB -1.831 16.887 19.000 -0.470 0.000 1.017 237 A HN 0.612 nan 8.150 nan 0.000 0.516 238 S N 0.214 116.031 115.700 0.194 0.000 2.533 238 S HA 0.412 4.888 4.470 0.009 0.000 0.282 238 S C -0.154 174.481 174.600 0.058 0.000 1.304 238 S CA -0.634 57.616 58.200 0.082 0.000 1.063 238 S CB 0.660 63.888 63.200 0.046 0.000 0.881 238 S HN 0.441 nan 8.310 nan 0.000 0.493 239 P HA 0.023 nan 4.420 nan 0.000 0.223 239 P C 0.522 177.751 177.300 -0.118 0.000 1.151 239 P CA 0.733 63.780 63.100 -0.089 0.000 0.787 239 P CB -0.272 31.370 31.700 -0.096 0.000 0.788 240 T N -3.009 111.493 114.554 -0.086 0.000 2.940 240 T HA 0.653 5.009 4.350 0.009 0.000 0.288 240 T C -0.725 173.933 174.700 -0.071 0.000 1.045 240 T CA -0.699 61.350 62.100 -0.085 0.000 1.018 240 T CB 1.775 70.601 68.868 -0.070 0.000 1.151 240 T HN -0.192 nan 8.240 nan 0.000 0.529 241 Q N 1.117 120.877 119.800 -0.066 0.000 2.285 241 Q HA 0.550 4.895 4.340 0.009 0.000 0.269 241 Q C -0.166 175.806 176.000 -0.046 0.000 1.030 241 Q CA -0.700 55.074 55.803 -0.049 0.000 0.788 241 Q CB 2.111 30.818 28.738 -0.051 0.000 1.266 241 Q HN 0.968 nan 8.270 nan 0.000 0.438 242 S N 0.575 116.247 115.700 -0.047 0.000 2.587 242 S HA 0.130 4.606 4.470 0.009 0.000 0.260 242 S C 0.407 174.982 174.600 -0.042 0.000 1.353 242 S CA -0.174 57.994 58.200 -0.053 0.000 0.995 242 S CB 0.702 63.854 63.200 -0.081 0.000 0.912 242 S HN 0.510 nan 8.310 nan 0.000 0.568 243 S N 0.603 116.279 115.700 -0.040 0.000 2.593 243 S HA 0.130 4.605 4.470 0.009 0.000 0.217 243 S C 0.998 175.579 174.600 -0.032 0.000 0.966 243 S CA 0.346 58.527 58.200 -0.031 0.000 0.914 243 S CB -0.570 62.614 63.200 -0.027 0.000 0.776 243 S HN 0.986 nan 8.310 nan 0.000 0.523 244 T N 0.560 115.088 114.554 -0.043 0.000 2.849 244 T HA 0.311 4.667 4.350 0.009 0.000 0.276 244 T C 0.160 174.844 174.700 -0.028 0.000 0.971 244 T CA -0.540 61.535 62.100 -0.041 0.000 0.949 244 T CB 0.947 69.774 68.868 -0.068 0.000 1.093 244 T HN 0.106 nan 8.240 nan 0.000 0.545 245 D N -1.483 118.903 120.400 -0.022 0.000 2.427 245 D HA 0.158 4.804 4.640 0.009 0.000 0.224 245 D C 0.896 177.201 176.300 0.009 0.000 1.157 245 D CA -0.326 53.667 54.000 -0.011 0.000 0.828 245 D CB -0.030 40.755 40.800 -0.024 0.000 0.974 245 D HN 0.659 nan 8.370 nan 0.000 0.498 246 K N -0.319 120.090 120.400 0.016 0.000 2.356 246 K HA 0.157 4.483 4.320 0.009 0.000 0.195 246 K C 0.073 176.835 176.600 0.270 0.000 1.037 246 K CA 0.181 56.525 56.287 0.095 0.000 1.014 246 K CB 1.107 33.600 32.500 -0.011 0.000 0.815 246 K HN 0.015 nan 8.250 nan 0.000 0.507 247 V N 2.632 122.650 119.914 0.174 0.000 2.370 247 V HA 0.163 4.289 4.120 0.009 0.000 0.283 247 V C -0.640 175.600 176.094 0.243 0.000 1.023 247 V CA -0.986 61.443 62.300 0.216 0.000 0.857 247 V CB 1.375 33.237 31.823 0.066 0.000 0.985 247 V HN 0.079 nan 8.190 nan 0.000 0.443 248 L N 5.502 126.891 121.223 0.277 0.000 2.342 248 L HA 0.387 4.732 4.340 0.009 0.000 0.285 248 L C 0.179 177.105 176.870 0.093 0.000 1.095 248 L CA 0.342 55.308 54.840 0.211 0.000 0.843 248 L CB -0.040 42.146 42.059 0.212 0.000 1.201 248 L HN 0.639 nan 8.230 nan 0.000 0.445 249 N N 3.982 122.775 118.700 0.156 0.000 2.521 249 N HA 0.310 5.055 4.740 0.009 0.000 0.236 249 N C -1.047 174.666 175.510 0.340 0.000 1.067 249 N CA -0.386 52.791 53.050 0.212 0.000 0.939 249 N CB 0.950 39.573 38.487 0.227 0.000 1.201 249 N HN 0.385 nan 8.380 nan 0.000 0.511 250 V N 1.394 121.390 119.914 0.136 0.000 2.439 250 V HA 0.826 4.951 4.120 0.009 0.000 0.282 250 V C 0.868 176.802 176.094 -0.267 0.000 1.039 250 V CA -0.470 61.885 62.300 0.091 0.000 0.913 250 V CB 1.137 33.045 31.823 0.143 0.000 0.983 250 V HN 0.707 nan 8.190 nan 0.000 0.460 251 G N 2.773 111.076 108.800 -0.828 0.000 2.559 251 G HA2 0.523 4.488 3.960 0.009 0.000 0.291 251 G HA3 0.523 4.488 3.960 0.009 0.000 0.291 251 G C -2.053 172.362 174.900 -0.808 0.000 1.424 251 G CA -0.672 43.657 45.100 -1.284 0.000 0.786 251 G HN 0.301 nan 8.290 nan 0.000 0.485 252 Y N 1.146 121.215 120.300 -0.385 0.000 2.335 252 Y HA 0.245 4.801 4.550 0.011 0.000 0.331 252 Y C 1.998 177.962 175.900 0.105 0.000 1.094 252 Y CA -0.192 57.810 58.100 -0.164 0.000 1.253 252 Y CB 1.568 39.889 38.460 -0.233 0.000 1.203 252 Y HN 0.846 nan 8.280 nan 0.000 0.508 253 E N 0.661 121.063 120.200 0.336 0.000 2.204 253 E HA -0.212 4.144 4.350 0.009 0.000 0.194 253 E C 0.745 177.480 176.600 0.226 0.000 0.989 253 E CA 1.420 58.024 56.400 0.341 0.000 0.824 253 E CB -0.140 29.710 29.700 0.249 0.000 0.756 253 E HN 0.684 nan 8.360 nan 0.000 0.477 254 N N 1.241 120.050 118.700 0.182 0.000 2.398 254 N HA -0.089 4.657 4.740 0.009 0.000 0.188 254 N C -0.242 175.504 175.510 0.393 0.000 1.122 254 N CA 0.285 53.469 53.050 0.223 0.000 0.866 254 N CB -0.029 38.574 38.487 0.193 0.000 0.970 254 N HN 0.076 nan 8.380 nan 0.000 0.462 255 D N 2.716 123.321 120.400 0.342 0.000 2.344 255 D HA 0.105 4.751 4.640 0.009 0.000 0.253 255 D C -1.310 175.144 176.300 0.257 0.000 1.255 255 D CA -2.117 52.052 54.000 0.282 0.000 0.894 255 D CB 1.439 42.487 40.800 0.414 0.000 1.067 255 D HN 0.070 nan 8.370 nan 0.000 0.492 256 P HA -0.149 nan 4.420 nan 0.000 0.222 256 P C 1.431 178.735 177.300 0.006 0.000 1.147 256 P CA 0.435 63.479 63.100 -0.094 0.000 0.790 256 P CB 0.450 31.799 31.700 -0.584 0.000 0.780 257 V N -0.527 119.211 119.914 -0.293 0.000 2.379 257 V HA -0.122 4.003 4.120 0.009 0.000 0.245 257 V C 1.528 177.658 176.094 0.061 0.000 1.044 257 V CA 0.608 62.739 62.300 -0.283 0.000 1.036 257 V CB -1.376 30.059 31.823 -0.647 0.000 0.664 257 V HN -0.013 nan 8.190 nan 0.000 0.453 258 F N 2.536 122.534 119.950 0.079 0.000 2.571 258 F HA 0.248 4.780 4.527 0.008 0.000 0.390 258 F C 1.281 177.195 175.800 0.191 0.000 1.043 258 F CA -0.469 57.615 58.000 0.139 0.000 1.164 258 F CB -0.724 38.406 39.000 0.217 0.000 1.049 258 F HN 0.200 nan 8.300 nan 0.000 0.552 259 R N 2.298 122.610 120.500 -0.313 0.000 3.770 259 R HA -0.248 4.097 4.340 0.009 0.000 0.305 259 R C 1.227 177.279 176.300 -0.414 0.000 1.184 259 R CA 0.538 56.420 56.100 -0.364 0.000 0.823 259 R CB -2.222 27.803 30.300 -0.458 0.000 1.285 259 R HN 0.680 nan 8.270 nan 0.000 0.499 260 A N 0.558 123.042 122.820 -0.560 0.000 1.978 260 A HA -0.028 4.297 4.320 0.009 0.000 0.220 260 A C 1.080 178.326 177.584 -0.564 0.000 1.170 260 A CA 1.109 52.567 52.037 -0.965 0.000 0.636 260 A CB 0.008 18.735 19.000 -0.455 0.000 0.810 260 A HN 0.294 nan 8.150 nan 0.000 0.448 261 L N -1.066 119.961 121.223 -0.328 0.000 2.322 261 L HA 0.489 4.835 4.340 0.009 0.000 0.269 261 L C -0.904 175.861 176.870 -0.176 0.000 1.012 261 L CA -0.852 53.860 54.840 -0.214 0.000 0.815 261 L CB 1.544 43.520 42.059 -0.138 0.000 1.295 261 L HN 0.079 nan 8.230 nan 0.000 0.438 262 D N 0.321 120.643 120.400 -0.130 0.000 2.462 262 D HA 0.310 4.956 4.640 0.009 0.000 0.245 262 D C 0.677 176.938 176.300 -0.065 0.000 1.122 262 D CA -0.389 53.553 54.000 -0.097 0.000 0.864 262 D CB 1.873 42.621 40.800 -0.086 0.000 1.098 262 D HN 0.591 nan 8.370 nan 0.000 0.541 263 G N 1.649 110.414 108.800 -0.057 0.000 2.712 263 G HA2 -0.059 3.907 3.960 0.009 0.000 0.212 263 G HA3 -0.059 3.907 3.960 0.009 0.000 0.212 263 G C 0.940 175.804 174.900 -0.060 0.000 1.142 263 G CA 0.162 45.222 45.100 -0.066 0.000 0.789 263 G HN 0.445 nan 8.290 nan 0.000 0.535 264 S N -0.430 115.243 115.700 -0.045 0.000 2.780 264 S HA 0.248 4.724 4.470 0.009 0.000 0.248 264 S C 0.313 174.893 174.600 -0.034 0.000 1.036 264 S CA -0.284 57.893 58.200 -0.039 0.000 1.061 264 S CB 0.287 63.478 63.200 -0.015 0.000 1.037 264 S HN 0.134 nan 8.310 nan 0.000 0.584 265 T N 1.940 116.474 114.554 -0.034 0.000 2.799 265 T HA 0.400 4.755 4.350 0.009 0.000 0.286 265 T C -0.771 173.923 174.700 -0.010 0.000 0.973 265 T CA -0.270 61.826 62.100 -0.007 0.000 1.035 265 T CB 0.627 69.494 68.868 -0.002 0.000 0.932 265 T HN 0.305 nan 8.240 nan 0.000 0.469 266 F N 4.503 124.374 119.950 -0.133 0.000 2.472 266 F HA 0.404 4.937 4.527 0.010 0.000 0.364 266 F C 0.931 176.707 175.800 -0.040 0.000 1.090 266 F CA -0.217 57.703 58.000 -0.133 0.000 1.188 266 F CB 0.324 39.190 39.000 -0.223 0.000 1.105 266 F HN 0.656 nan 8.300 nan 0.000 0.536 267 T N 1.476 115.711 114.554 -0.532 0.000 2.807 267 T HA 0.474 4.830 4.350 0.009 0.000 0.277 267 T C 1.178 175.607 174.700 -0.452 0.000 1.006 267 T CA -0.355 61.558 62.100 -0.310 0.000 1.006 267 T CB 1.044 69.804 68.868 -0.180 0.000 1.274 267 T HN 0.561 nan 8.240 nan 0.000 0.569 268 G N -0.004 108.689 108.800 -0.178 0.000 2.442 268 G HA2 -0.039 3.927 3.960 0.009 0.000 0.219 268 G HA3 -0.039 3.927 3.960 0.009 0.000 0.219 268 G C 1.651 176.483 174.900 -0.114 0.000 1.141 268 G CA 0.872 45.908 45.100 -0.106 0.000 0.763 268 G HN 1.110 nan 8.290 nan 0.000 0.554 269 A N 0.619 123.375 122.820 -0.106 0.000 2.015 269 A HA 0.081 4.406 4.320 0.009 0.000 0.219 269 A C 2.629 180.211 177.584 -0.002 0.000 1.163 269 A CA 1.939 53.965 52.037 -0.019 0.000 0.646 269 A CB -0.459 18.554 19.000 0.022 0.000 0.806 269 A HN 0.289 nan 8.150 nan 0.000 0.448 270 S N -0.496 115.041 115.700 -0.271 0.000 2.402 270 S HA -0.164 4.311 4.470 0.009 0.000 0.233 270 S C 1.637 176.210 174.600 -0.045 0.000 1.030 270 S CA 1.749 59.736 58.200 -0.355 0.000 1.003 270 S CB -0.469 62.193 63.200 -0.896 0.000 0.813 270 S HN 0.996 nan 8.310 nan 0.000 0.477 271 V N -1.845 118.076 119.914 0.012 0.000 3.542 271 V HA 0.605 4.731 4.120 0.009 0.000 0.296 271 V C 0.744 176.940 176.094 0.170 0.000 1.364 271 V CA 0.340 62.731 62.300 0.151 0.000 1.118 271 V CB -0.134 31.811 31.823 0.203 0.000 0.972 271 V HN 0.303 nan 8.190 nan 0.000 0.430 272 G N -0.083 108.839 108.800 0.204 0.000 3.291 272 G HA2 0.527 4.492 3.960 0.009 0.000 0.173 272 G HA3 0.527 4.492 3.960 0.009 0.000 0.173 272 G C -0.776 174.308 174.900 0.306 0.000 1.099 272 G CA -0.389 44.850 45.100 0.233 0.000 0.794 272 G HN 0.085 nan 8.290 nan 0.000 0.651 273 V N 1.624 121.655 119.914 0.194 0.000 2.508 273 V HA 0.353 4.478 4.120 0.009 0.000 0.281 273 V C -0.413 175.670 176.094 -0.018 0.000 1.041 273 V CA -0.061 62.235 62.300 -0.006 0.000 1.016 273 V CB 0.539 32.297 31.823 -0.108 0.000 0.984 273 V HN 0.809 nan 8.190 nan 0.000 0.478 274 H N 0.300 119.406 119.070 0.060 0.000 2.379 274 H HA 0.486 5.049 4.556 0.011 0.000 0.229 274 H C -0.384 174.931 175.328 -0.022 0.000 1.423 274 H CA -0.712 55.336 56.048 0.000 0.000 1.375 274 H CB 0.126 29.875 29.762 -0.022 0.000 1.592 274 H HN 0.490 nan 8.280 nan 0.000 0.507 275 D N 1.313 121.715 120.400 0.003 0.000 2.501 275 D HA 0.285 4.931 4.640 0.009 0.000 0.226 275 D C 0.511 176.822 176.300 0.018 0.000 1.198 275 D CA -0.256 53.743 54.000 -0.001 0.000 0.830 275 D CB 0.050 40.827 40.800 -0.039 0.000 1.014 275 D HN 0.696 nan 8.370 nan 0.000 0.496 276 A N 1.257 124.087 122.820 0.016 0.000 2.511 276 A HA 0.378 4.704 4.320 0.009 0.000 0.242 276 A C -2.112 175.478 177.584 0.010 0.000 1.069 276 A CA -0.831 51.212 52.037 0.011 0.000 0.763 276 A CB -0.084 18.917 19.000 0.002 0.000 1.001 276 A HN 0.161 nan 8.150 nan 0.000 0.498 277 P HA 0.140 nan 4.420 nan 0.000 0.262 277 P C -0.644 176.660 177.300 0.007 0.000 1.182 277 P CA 0.520 63.636 63.100 0.026 0.000 0.761 277 P CB 0.312 32.030 31.700 0.030 0.000 0.795 278 K N 2.254 122.658 120.400 0.007 0.000 2.397 278 K HA 0.130 4.456 4.320 0.009 0.000 0.253 278 K C 0.981 177.592 176.600 0.018 0.000 0.932 278 K CA -0.664 55.620 56.287 -0.006 0.000 0.795 278 K CB 1.894 34.366 32.500 -0.047 0.000 1.159 278 K HN 0.349 nan 8.250 nan 0.000 0.424 279 E N 1.523 121.732 120.200 0.014 0.000 2.130 279 E HA -0.190 4.165 4.350 0.009 0.000 0.196 279 E C 1.219 177.845 176.600 0.044 0.000 0.998 279 E CA 2.147 58.561 56.400 0.023 0.000 0.806 279 E CB 0.224 29.930 29.700 0.010 0.000 0.738 279 E HN 0.638 nan 8.360 nan 0.000 0.459 280 S N -0.776 114.952 115.700 0.046 0.000 2.528 280 S HA 0.307 4.783 4.470 0.009 0.000 0.219 280 S C 0.692 175.367 174.600 0.124 0.000 0.985 280 S CA 0.148 58.394 58.200 0.077 0.000 0.914 280 S CB 0.274 63.509 63.200 0.059 0.000 0.776 280 S HN 0.330 nan 8.310 nan 0.000 0.526 281 A N 2.342 125.235 122.820 0.121 0.000 2.324 281 A HA 0.618 4.943 4.320 0.009 0.000 0.330 281 A C 0.416 178.150 177.584 0.248 0.000 1.165 281 A CA -0.418 51.747 52.037 0.213 0.000 0.813 281 A CB 0.539 19.598 19.000 0.099 0.000 1.197 281 A HN 0.510 nan 8.150 nan 0.000 0.484 282 T N 0.245 115.005 114.554 0.343 0.000 2.759 282 T HA 0.094 4.450 4.350 0.009 0.000 0.273 282 T C -0.108 174.809 174.700 0.363 0.000 0.938 282 T CA 0.056 62.334 62.100 0.296 0.000 1.197 282 T CB -0.038 68.983 68.868 0.255 0.000 0.887 282 T HN 0.516 nan 8.240 nan 0.000 0.540 283 D N 2.787 123.331 120.400 0.240 0.000 2.333 283 D HA 0.002 4.647 4.640 0.009 0.000 0.208 283 D C 0.659 177.092 176.300 0.222 0.000 0.984 283 D CA 0.339 54.479 54.000 0.234 0.000 0.873 283 D CB 0.310 41.197 40.800 0.146 0.000 0.935 283 D HN 0.619 nan 8.370 nan 0.000 0.521 284 N N 0.580 119.379 118.700 0.164 0.000 2.451 284 N HA 0.178 4.924 4.740 0.009 0.000 0.271 284 N C -0.324 175.209 175.510 0.039 0.000 1.410 284 N CA -0.060 53.047 53.050 0.094 0.000 0.884 284 N CB 1.675 40.178 38.487 0.026 0.000 1.332 284 N HN 0.120 nan 8.380 nan 0.000 0.498 285 I N 1.208 121.845 120.570 0.112 0.000 2.315 285 I HA 0.261 4.436 4.170 0.009 0.000 0.291 285 I C 0.057 176.292 176.117 0.197 0.000 1.006 285 I CA -0.720 60.658 61.300 0.130 0.000 1.265 285 I CB 1.392 39.461 38.000 0.115 0.000 1.387 285 I HN -0.332 nan 8.210 nan 0.000 0.475 286 V N 5.141 125.115 119.914 0.100 0.000 2.398 286 V HA 0.187 4.313 4.120 0.009 0.000 0.286 286 V C 0.402 176.366 176.094 -0.215 0.000 1.026 286 V CA -0.473 61.772 62.300 -0.092 0.000 0.868 286 V CB 1.768 33.458 31.823 -0.222 0.000 0.982 286 V HN 0.793 nan 8.190 nan 0.000 0.443 287 S N 5.296 120.632 115.700 -0.607 0.000 2.405 287 S HA 0.305 4.780 4.470 0.009 0.000 0.291 287 S C -0.399 173.913 174.600 -0.481 0.000 1.137 287 S CA -0.457 57.226 58.200 -0.861 0.000 1.061 287 S CB -0.452 61.868 63.200 -1.468 0.000 1.001 287 S HN 0.534 nan 8.310 nan 0.000 0.507 288 F N 7.363 127.118 119.950 -0.326 0.000 2.619 288 F HA 0.289 4.819 4.527 0.004 0.000 0.350 288 F C 0.400 176.217 175.800 0.028 0.000 1.259 288 F CA -0.603 57.327 58.000 -0.116 0.000 1.204 288 F CB -0.271 38.737 39.000 0.015 0.000 1.556 288 F HN 0.700 nan 8.300 nan 0.000 0.650 289 N N 1.099 119.707 118.700 -0.153 0.000 2.525 289 N HA 0.238 4.983 4.740 0.009 0.000 0.288 289 N C 0.417 175.940 175.510 0.022 0.000 1.242 289 N CA -0.741 52.312 53.050 0.005 0.000 0.905 289 N CB 0.428 38.844 38.487 -0.118 0.000 1.258 289 N HN 0.111 nan 8.380 nan 0.000 0.551 290 D N -1.417 119.114 120.400 0.217 0.000 2.149 290 D HA -0.217 4.429 4.640 0.009 0.000 0.198 290 D C 1.364 177.794 176.300 0.217 0.000 0.990 290 D CA 1.359 55.501 54.000 0.236 0.000 0.839 290 D CB -0.412 40.619 40.800 0.385 0.000 0.948 290 D HN 0.646 nan 8.370 nan 0.000 0.460 291 H N -0.511 118.568 119.070 0.014 0.000 2.293 291 H HA -0.202 4.362 4.556 0.013 0.000 0.300 291 H C 2.054 177.407 175.328 0.042 0.000 1.082 291 H CA 1.544 57.571 56.048 -0.034 0.000 1.308 291 H CB -0.537 29.033 29.762 -0.320 0.000 1.375 291 H HN 0.211 nan 8.280 nan 0.000 0.495 292 Y N 1.097 121.374 120.300 -0.039 0.000 2.151 292 Y HA -0.232 4.327 4.550 0.014 0.000 0.284 292 Y C 2.726 178.456 175.900 -0.283 0.000 1.166 292 Y CA 2.075 60.085 58.100 -0.150 0.000 1.163 292 Y CB -0.669 37.617 38.460 -0.290 0.000 0.974 292 Y HN 0.308 nan 8.280 nan 0.000 0.511 293 A N -0.993 121.611 122.820 -0.361 0.000 2.067 293 A HA -0.026 4.299 4.320 0.009 0.000 0.219 293 A C 1.498 179.045 177.584 -0.060 0.000 1.158 293 A CA 0.915 52.783 52.037 -0.281 0.000 0.661 293 A CB -0.794 18.115 19.000 -0.151 0.000 0.801 293 A HN 0.329 nan 8.150 nan 0.000 0.452 294 S N -0.335 115.357 115.700 -0.014 0.000 2.465 294 S HA 0.287 4.763 4.470 0.009 0.000 0.279 294 S C 1.194 175.803 174.600 0.015 0.000 1.201 294 S CA 0.143 58.389 58.200 0.077 0.000 1.053 294 S CB 0.516 63.890 63.200 0.289 0.000 0.953 294 S HN 0.413 nan 8.310 nan 0.000 0.488 295 T N 5.366 119.926 114.554 0.011 0.000 2.684 295 T HA -0.120 4.236 4.350 0.009 0.000 0.267 295 T C 2.144 176.839 174.700 -0.008 0.000 1.036 295 T CA 1.715 63.813 62.100 -0.004 0.000 1.148 295 T CB -0.613 68.256 68.868 0.003 0.000 0.863 295 T HN 0.810 nan 8.240 nan 0.000 0.436 296 A N 0.489 123.285 122.820 -0.041 0.000 1.883 296 A HA -0.116 4.210 4.320 0.009 0.000 0.217 296 A C 2.123 179.650 177.584 -0.096 0.000 1.186 296 A CA 1.487 53.453 52.037 -0.118 0.000 0.624 296 A CB -1.275 17.585 19.000 -0.233 0.000 0.822 296 A HN 0.698 nan 8.150 nan 0.000 0.444 297 W N -0.068 121.203 121.300 -0.049 0.000 2.342 297 W HA -0.149 4.516 4.660 0.009 0.000 0.297 297 W C 1.743 178.222 176.519 -0.068 0.000 1.213 297 W CA 1.284 58.586 57.345 -0.070 0.000 1.251 297 W CB -0.243 29.059 29.460 -0.262 0.000 1.136 297 W HN 0.403 nan 8.180 nan 0.000 0.526 298 N N -0.024 118.755 118.700 0.131 0.000 2.461 298 N HA 0.020 4.766 4.740 0.009 0.000 0.188 298 N C 1.398 176.971 175.510 0.105 0.000 1.134 298 N CA 0.267 53.380 53.050 0.105 0.000 0.878 298 N CB -0.210 38.282 38.487 0.008 0.000 0.972 298 N HN 0.102 nan 8.380 nan 0.000 0.456 299 L N 0.190 121.467 121.223 0.089 0.000 2.131 299 L HA -0.078 4.268 4.340 0.009 0.000 0.210 299 L C 0.532 177.470 176.870 0.113 0.000 1.092 299 L CA 0.734 55.618 54.840 0.074 0.000 0.759 299 L CB -0.392 41.688 42.059 0.035 0.000 0.903 299 L HN 0.201 nan 8.230 nan 0.000 0.435 300 L N 0.433 121.760 121.223 0.174 0.000 2.417 300 L HA 0.214 4.559 4.340 0.009 0.000 0.268 300 L C -2.023 174.976 176.870 0.215 0.000 1.158 300 L CA -2.055 52.906 54.840 0.203 0.000 0.819 300 L CB -0.180 42.048 42.059 0.283 0.000 1.112 300 L HN -0.174 nan 8.230 nan 0.000 0.458 301 P HA 0.008 nan 4.420 nan 0.000 0.271 301 P C -0.624 176.824 177.300 0.247 0.000 1.216 301 P CA -0.206 63.013 63.100 0.199 0.000 0.771 301 P CB 0.269 32.063 31.700 0.155 0.000 0.864 302 F N 3.041 123.067 119.950 0.127 0.000 2.571 302 F HA 0.300 4.832 4.527 0.009 0.000 0.384 302 F C 0.478 176.338 175.800 0.100 0.000 1.058 302 F CA 1.266 59.339 58.000 0.120 0.000 1.200 302 F CB 0.259 39.312 39.000 0.088 0.000 1.077 302 F HN 0.256 nan 8.300 nan 0.000 0.558 303 S N 6.153 121.649 115.700 -0.341 0.000 2.556 303 S HA 0.212 4.688 4.470 0.009 0.000 0.280 303 S C 0.460 174.940 174.600 -0.200 0.000 1.141 303 S CA -0.849 57.265 58.200 -0.144 0.000 0.883 303 S CB 0.836 64.067 63.200 0.052 0.000 1.103 303 S HN 0.850 nan 8.310 nan 0.000 0.453 304 I N 3.939 124.471 120.570 -0.063 0.000 2.399 304 I HA -0.162 4.013 4.170 0.009 0.000 0.254 304 I C 1.290 177.616 176.117 0.349 0.000 1.146 304 I CA 1.526 62.894 61.300 0.113 0.000 1.412 304 I CB 0.000 38.075 38.000 0.125 0.000 1.076 304 I HN 0.739 nan 8.210 nan 0.000 0.432 305 L N -0.332 121.008 121.223 0.195 0.000 2.395 305 L HA -0.050 4.296 4.340 0.009 0.000 0.218 305 L C 1.099 178.039 176.870 0.117 0.000 1.130 305 L CA 0.361 55.295 54.840 0.156 0.000 0.826 305 L CB -0.670 41.467 42.059 0.130 0.000 0.941 305 L HN 0.288 nan 8.230 nan 0.000 0.451 306 N N 0.896 119.666 118.700 0.116 0.000 2.500 306 N HA 0.088 4.834 4.740 0.009 0.000 0.236 306 N C 1.076 176.662 175.510 0.126 0.000 1.022 306 N CA -0.404 52.709 53.050 0.105 0.000 0.935 306 N CB 0.778 39.323 38.487 0.097 0.000 1.147 306 N HN -0.031 nan 8.380 nan 0.000 0.512 307 I N 5.030 125.635 120.570 0.058 0.000 2.226 307 I HA -0.101 4.075 4.170 0.009 0.000 0.245 307 I C -0.758 175.409 176.117 0.083 0.000 1.100 307 I CA 0.525 61.806 61.300 -0.031 0.000 1.374 307 I CB -2.236 35.672 38.000 -0.154 0.000 1.057 307 I HN 0.557 nan 8.210 nan 0.000 0.413 308 P HA -0.146 nan 4.420 nan 0.000 0.218 308 P C 1.700 178.851 177.300 -0.249 0.000 1.146 308 P CA 1.825 64.920 63.100 -0.008 0.000 0.813 308 P CB -0.351 31.161 31.700 -0.313 0.000 0.778 309 T N -5.782 108.599 114.554 -0.288 0.000 3.007 309 T HA -0.149 4.206 4.350 0.009 0.000 0.270 309 T C 1.342 175.863 174.700 -0.298 0.000 1.107 309 T CA 0.440 62.203 62.100 -0.560 0.000 1.118 309 T CB -1.137 67.426 68.868 -0.508 0.000 0.889 309 T HN 0.060 nan 8.240 nan 0.000 0.506 310 W N 1.001 122.124 121.300 -0.295 0.000 2.699 310 W HA 0.359 5.024 4.660 0.008 0.000 0.249 310 W C 1.980 178.369 176.519 -0.217 0.000 1.280 310 W CA -1.021 56.212 57.345 -0.187 0.000 1.345 310 W CB -0.587 28.791 29.460 -0.137 0.000 1.128 310 W HN 0.257 nan 8.180 nan 0.000 0.642 311 I N 0.313 120.769 120.570 -0.190 0.000 2.300 311 I HA -0.385 3.791 4.170 0.009 0.000 0.252 311 I C 1.606 177.514 176.117 -0.349 0.000 1.119 311 I CA 1.641 62.675 61.300 -0.444 0.000 1.384 311 I CB -0.155 37.291 38.000 -0.922 0.000 1.062 311 I HN -0.209 nan 8.210 nan 0.000 0.426 312 S N -0.967 114.588 115.700 -0.242 0.000 2.607 312 S HA -0.151 4.325 4.470 0.009 0.000 0.224 312 S C 1.453 176.117 174.600 0.108 0.000 0.969 312 S CA 0.510 58.614 58.200 -0.159 0.000 0.927 312 S CB -0.385 62.742 63.200 -0.121 0.000 0.772 312 S HN 0.629 nan 8.310 nan 0.000 0.533 313 H N 0.914 120.002 119.070 0.031 0.000 2.582 313 H HA 0.357 4.919 4.556 0.009 0.000 0.269 313 H C 0.396 175.916 175.328 0.319 0.000 0.962 313 H CA -0.130 56.050 56.048 0.219 0.000 1.230 313 H CB -0.052 29.697 29.762 -0.023 0.000 1.445 313 H HN 0.209 nan 8.280 nan 0.000 0.528 314 L N 2.952 124.192 121.223 0.028 0.000 2.578 314 L HA -0.016 4.330 4.340 0.009 0.000 0.279 314 L C -1.114 175.698 176.870 -0.097 0.000 1.227 314 L CA -1.005 53.742 54.840 -0.155 0.000 0.900 314 L CB 0.615 42.515 42.059 -0.266 0.000 1.144 314 L HN 0.290 nan 8.230 nan 0.000 0.496 315 P HA -0.130 nan 4.420 nan 0.000 0.215 315 P C 1.483 178.687 177.300 -0.159 0.000 1.153 315 P CA 1.196 64.004 63.100 -0.486 0.000 0.853 315 P CB 0.071 31.338 31.700 -0.723 0.000 0.788 316 T N 0.080 114.557 114.554 -0.129 0.000 2.720 316 T HA -0.162 4.193 4.350 0.009 0.000 0.268 316 T C 1.960 176.674 174.700 0.022 0.000 1.037 316 T CA 1.919 63.996 62.100 -0.038 0.000 1.144 316 T CB -0.921 67.942 68.868 -0.008 0.000 0.864 316 T HN 0.105 nan 8.240 nan 0.000 0.444 317 A N -0.152 122.687 122.820 0.031 0.000 2.015 317 A HA -0.037 4.288 4.320 0.009 0.000 0.219 317 A C 1.982 179.667 177.584 0.168 0.000 1.163 317 A CA 1.155 53.229 52.037 0.061 0.000 0.646 317 A CB -0.847 18.126 19.000 -0.046 0.000 0.806 317 A HN 0.571 nan 8.150 nan 0.000 0.448 318 Y N 0.019 120.370 120.300 0.085 0.000 2.089 318 Y HA -0.087 4.469 4.550 0.010 0.000 0.282 318 Y C 2.819 178.662 175.900 -0.096 0.000 1.139 318 Y CA 1.410 59.483 58.100 -0.046 0.000 1.123 318 Y CB -0.824 37.505 38.460 -0.218 0.000 0.980 318 Y HN 0.335 nan 8.280 nan 0.000 0.493 319 G N -0.476 108.334 108.800 0.018 0.000 2.514 319 G HA2 -0.346 3.620 3.960 0.009 0.000 0.217 319 G HA3 -0.346 3.620 3.960 0.009 0.000 0.217 319 G C 1.522 176.448 174.900 0.044 0.000 1.198 319 G CA 1.394 46.477 45.100 -0.029 0.000 0.780 319 G HN 0.423 nan 8.290 nan 0.000 0.565 320 D N 0.666 121.103 120.400 0.063 0.000 2.084 320 D HA -0.068 4.578 4.640 0.009 0.000 0.196 320 D C 2.712 179.081 176.300 0.115 0.000 0.985 320 D CA 1.449 55.498 54.000 0.083 0.000 0.826 320 D CB -0.562 40.287 40.800 0.082 0.000 0.978 320 D HN 0.239 nan 8.370 nan 0.000 0.456 321 G N 0.975 109.863 108.800 0.147 0.000 2.491 321 G HA2 -0.265 3.701 3.960 0.009 0.000 0.218 321 G HA3 -0.265 3.701 3.960 0.009 0.000 0.218 321 G C 1.784 176.802 174.900 0.197 0.000 1.180 321 G CA 1.026 46.247 45.100 0.200 0.000 0.774 321 G HN 0.305 nan 8.290 nan 0.000 0.562 322 M N 0.093 119.800 119.600 0.179 0.000 2.447 322 M HA 0.104 4.590 4.480 0.009 0.000 0.264 322 M C 2.221 178.667 176.300 0.244 0.000 1.095 322 M CA 0.718 56.157 55.300 0.232 0.000 1.125 322 M CB -0.061 32.710 32.600 0.284 0.000 1.389 322 M HN 0.266 nan 8.290 nan 0.000 0.459 323 N N 1.099 119.916 118.700 0.196 0.000 2.244 323 N HA -0.100 4.645 4.740 0.009 0.000 0.183 323 N C 1.620 177.200 175.510 0.116 0.000 1.016 323 N CA 1.302 54.446 53.050 0.156 0.000 0.866 323 N CB 0.114 38.668 38.487 0.112 0.000 0.980 323 N HN 0.204 nan 8.380 nan 0.000 0.430 324 R N -0.193 120.380 120.500 0.122 0.000 2.115 324 R HA 0.038 4.384 4.340 0.009 0.000 0.230 324 R C 2.042 178.417 176.300 0.124 0.000 1.111 324 R CA 1.076 57.242 56.100 0.111 0.000 0.976 324 R CB -0.250 30.119 30.300 0.116 0.000 0.870 324 R HN 0.354 nan 8.270 nan 0.000 0.445 325 I N 0.655 121.318 120.570 0.155 0.000 2.179 325 I HA -0.300 3.876 4.170 0.009 0.000 0.242 325 I C 2.171 178.387 176.117 0.166 0.000 1.088 325 I CA 1.083 62.483 61.300 0.167 0.000 1.357 325 I CB -0.289 37.811 38.000 0.166 0.000 1.051 325 I HN 0.114 nan 8.210 nan 0.000 0.409 326 I N 0.903 121.521 120.570 0.080 0.000 2.194 326 I HA -0.307 3.869 4.170 0.009 0.000 0.246 326 I C 2.263 178.278 176.117 -0.170 0.000 1.093 326 I CA 1.929 63.128 61.300 -0.169 0.000 1.355 326 I CB -1.014 36.941 38.000 -0.074 0.000 1.046 326 I HN 0.389 nan 8.210 nan 0.000 0.413 327 E N -0.081 120.101 120.200 -0.029 0.000 2.481 327 E HA -0.027 4.329 4.350 0.009 0.000 0.195 327 E C 0.959 177.564 176.600 0.009 0.000 1.047 327 E CA -0.138 56.254 56.400 -0.014 0.000 0.867 327 E CB 0.131 29.840 29.700 0.014 0.000 0.858 327 E HN 0.191 nan 8.360 nan 0.000 0.513 328 S N 1.055 116.788 115.700 0.056 0.000 2.549 328 S HA -0.021 4.454 4.470 0.009 0.000 0.286 328 S C 1.218 175.821 174.600 0.004 0.000 1.314 328 S CA -0.341 57.893 58.200 0.056 0.000 1.062 328 S CB 0.542 63.832 63.200 0.149 0.000 0.865 328 S HN 0.016 nan 8.310 nan 0.000 0.498 329 K N 3.795 124.106 120.400 -0.147 0.000 2.280 329 K HA -0.071 4.254 4.320 0.009 0.000 0.202 329 K C 0.931 177.430 176.600 -0.168 0.000 1.047 329 K CA 1.245 57.408 56.287 -0.206 0.000 0.942 329 K CB -0.317 31.980 32.500 -0.338 0.000 0.739 329 K HN 0.702 nan 8.250 nan 0.000 0.457 330 F N -0.785 119.225 119.950 0.099 0.000 2.797 330 F HA 0.035 4.568 4.527 0.009 0.000 0.302 330 F C 2.023 177.758 175.800 -0.108 0.000 1.130 330 F CA -0.801 57.224 58.000 0.040 0.000 1.387 330 F CB -0.916 38.190 39.000 0.176 0.000 1.107 330 F HN 0.005 nan 8.300 nan 0.000 0.577 331 Y N 2.564 122.857 120.300 -0.012 0.000 2.069 331 Y HA -0.357 4.198 4.550 0.009 0.000 0.278 331 Y C 2.147 177.955 175.900 -0.154 0.000 1.175 331 Y CA 2.282 60.307 58.100 -0.125 0.000 1.134 331 Y CB -0.481 37.926 38.460 -0.090 0.000 0.965 331 Y HN 0.226 nan 8.280 nan 0.000 0.498 332 D N -0.504 119.881 120.400 -0.025 0.000 2.363 332 D HA -0.114 4.531 4.640 0.009 0.000 0.226 332 D C 1.492 177.707 176.300 -0.141 0.000 1.020 332 D CA 0.850 54.803 54.000 -0.079 0.000 0.892 332 D CB -0.804 40.053 40.800 0.095 0.000 0.900 332 D HN 0.520 nan 8.370 nan 0.000 0.531 333 L N 0.100 121.207 121.223 -0.194 0.000 2.446 333 L HA 0.107 4.452 4.340 0.009 0.000 0.219 333 L C 1.208 177.875 176.870 -0.339 0.000 1.116 333 L CA 0.602 55.334 54.840 -0.180 0.000 0.844 333 L CB -0.519 41.474 42.059 -0.111 0.000 0.970 333 L HN 0.124 nan 8.230 nan 0.000 0.457 334 T N -1.909 112.270 114.554 -0.626 0.000 2.902 334 T HA 0.533 4.888 4.350 0.009 0.000 0.280 334 T C 0.123 174.546 174.700 -0.462 0.000 0.992 334 T CA -0.543 61.121 62.100 -0.726 0.000 1.015 334 T CB 1.973 70.248 68.868 -0.987 0.000 1.044 334 T HN 0.177 nan 8.240 nan 0.000 0.520 335 S N -0.144 115.360 115.700 -0.327 0.000 2.697 335 S HA 0.457 4.932 4.470 0.009 0.000 0.289 335 S C 0.884 175.377 174.600 -0.179 0.000 1.149 335 S CA -1.164 56.913 58.200 -0.205 0.000 0.850 335 S CB 1.839 64.983 63.200 -0.093 0.000 1.151 335 S HN 0.848 nan 8.310 nan 0.000 0.491 336 K N 0.140 120.482 120.400 -0.097 0.000 2.077 336 K HA -0.191 4.134 4.320 0.009 0.000 0.213 336 K C 0.110 176.703 176.600 -0.013 0.000 1.051 336 K CA 2.214 58.480 56.287 -0.036 0.000 0.929 336 K CB -0.277 32.242 32.500 0.031 0.000 0.715 336 K HN 0.612 nan 8.250 nan 0.000 0.451 337 D N 0.354 120.754 120.400 -0.001 0.000 2.427 337 D HA 0.077 4.723 4.640 0.009 0.000 0.224 337 D C -0.557 175.758 176.300 0.025 0.000 1.157 337 D CA 0.100 54.118 54.000 0.031 0.000 0.828 337 D CB 0.623 41.455 40.800 0.052 0.000 0.974 337 D HN 0.017 nan 8.370 nan 0.000 0.498 338 S N 0.460 116.150 115.700 -0.017 0.000 2.549 338 S HA 0.076 4.551 4.470 0.009 0.000 0.286 338 S C 0.611 175.235 174.600 0.039 0.000 1.314 338 S CA 0.040 58.259 58.200 0.032 0.000 1.062 338 S CB 0.781 63.935 63.200 -0.078 0.000 0.865 338 S HN 0.099 nan 8.310 nan 0.000 0.498 339 T N 4.574 119.173 114.554 0.074 0.000 2.750 339 T HA 0.267 4.623 4.350 0.009 0.000 0.286 339 T C 0.109 174.872 174.700 0.105 0.000 0.911 339 T CA 0.200 62.271 62.100 -0.048 0.000 1.130 339 T CB -0.706 68.065 68.868 -0.162 0.000 0.873 339 T HN 0.373 nan 8.240 nan 0.000 0.536 340 I N 4.710 125.313 120.570 0.055 0.000 2.436 340 I HA 0.395 4.571 4.170 0.009 0.000 0.289 340 I C -0.426 175.752 176.117 0.101 0.000 1.010 340 I CA -1.079 60.299 61.300 0.130 0.000 1.098 340 I CB 1.676 39.717 38.000 0.069 0.000 1.266 340 I HN 0.330 nan 8.210 nan 0.000 0.434 341 I N 7.048 127.696 120.570 0.130 0.000 2.330 341 I HA 0.331 4.507 4.170 0.009 0.000 0.289 341 I C -0.012 176.187 176.117 0.137 0.000 1.001 341 I CA -0.767 60.602 61.300 0.115 0.000 1.193 341 I CB 1.368 39.438 38.000 0.116 0.000 1.345 341 I HN 0.155 nan 8.210 nan 0.000 0.461 342 V N 5.648 125.641 119.914 0.131 0.000 2.370 342 V HA 0.439 4.565 4.120 0.009 0.000 0.279 342 V C 0.872 177.049 176.094 0.137 0.000 1.029 342 V CA -0.917 61.469 62.300 0.144 0.000 0.870 342 V CB 1.456 33.388 31.823 0.183 0.000 0.984 342 V HN 0.861 nan 8.190 nan 0.000 0.451 343 A N 4.461 127.361 122.820 0.132 0.000 2.496 343 A HA 0.232 4.558 4.320 0.009 0.000 0.278 343 A C 0.663 178.339 177.584 0.152 0.000 1.137 343 A CA 0.179 52.300 52.037 0.141 0.000 0.805 343 A CB -0.512 18.537 19.000 0.082 0.000 1.077 343 A HN 0.796 nan 8.150 nan 0.000 0.513 344 N N 2.273 121.091 118.700 0.197 0.000 2.433 344 N HA 0.222 4.968 4.740 0.009 0.000 0.270 344 N C -0.552 175.119 175.510 0.269 0.000 1.354 344 N CA -0.008 53.139 53.050 0.161 0.000 0.889 344 N CB 0.351 38.842 38.487 0.007 0.000 1.285 344 N HN 0.634 nan 8.380 nan 0.000 0.503 345 L N 0.838 122.219 121.223 0.263 0.000 2.418 345 L HA 0.282 4.628 4.340 0.009 0.000 0.265 345 L C 1.271 178.204 176.870 0.105 0.000 1.143 345 L CA -0.407 54.576 54.840 0.239 0.000 0.809 345 L CB 0.688 42.872 42.059 0.207 0.000 1.124 345 L HN 0.132 nan 8.230 nan 0.000 0.456 346 S N -0.237 115.370 115.700 -0.155 0.000 2.589 346 S HA 0.023 4.498 4.470 0.009 0.000 0.265 346 S C 0.611 175.120 174.600 -0.151 0.000 1.342 346 S CA -0.662 57.297 58.200 -0.403 0.000 1.005 346 S CB 0.862 63.637 63.200 -0.707 0.000 0.909 346 S HN 0.600 nan 8.310 nan 0.000 0.555 347 D N 2.092 122.416 120.400 -0.127 0.000 2.116 347 D HA -0.047 4.598 4.640 0.009 0.000 0.193 347 D C -0.602 175.650 176.300 -0.082 0.000 0.998 347 D CA 1.594 55.550 54.000 -0.073 0.000 0.836 347 D CB -1.934 38.840 40.800 -0.044 0.000 0.951 347 D HN 0.515 nan 8.370 nan 0.000 0.449 348 P HA -0.019 nan 4.420 nan 0.000 0.216 348 P C 1.206 178.477 177.300 -0.047 0.000 1.153 348 P CA 1.719 64.769 63.100 -0.083 0.000 0.844 348 P CB -0.073 31.569 31.700 -0.098 0.000 0.787 349 A N -0.204 122.596 122.820 -0.033 0.000 1.969 349 A HA -0.157 4.168 4.320 0.009 0.000 0.218 349 A C 2.406 179.998 177.584 0.014 0.000 1.169 349 A CA 1.196 53.246 52.037 0.021 0.000 0.635 349 A CB -1.098 17.945 19.000 0.072 0.000 0.810 349 A HN 0.007 nan 8.150 nan 0.000 0.445 350 R N -0.258 120.235 120.500 -0.011 0.000 2.096 350 R HA -0.109 4.236 4.340 0.009 0.000 0.235 350 R C 2.214 178.452 176.300 -0.102 0.000 1.127 350 R CA 1.313 57.391 56.100 -0.036 0.000 0.968 350 R CB -0.359 29.922 30.300 -0.032 0.000 0.861 350 R HN 0.442 nan 8.270 nan 0.000 0.440 351 A N 1.327 124.094 122.820 -0.088 0.000 2.019 351 A HA -0.182 4.143 4.320 0.009 0.000 0.219 351 A C 1.210 178.714 177.584 -0.133 0.000 1.164 351 A CA 1.799 53.772 52.037 -0.106 0.000 0.644 351 A CB -0.301 18.657 19.000 -0.071 0.000 0.805 351 A HN 0.708 nan 8.150 nan 0.000 0.449 352 N N -2.590 116.048 118.700 -0.104 0.000 2.184 352 N HA 0.106 4.852 4.740 0.009 0.000 0.234 352 N C -0.703 174.763 175.510 -0.074 0.000 1.282 352 N CA 0.241 53.234 53.050 -0.095 0.000 0.877 352 N CB -0.083 38.393 38.487 -0.019 0.000 1.184 352 N HN -0.004 nan 8.380 nan 0.000 0.510 353 T N 0.664 115.167 114.554 -0.085 0.000 2.792 353 T HA 0.308 4.664 4.350 0.009 0.000 0.280 353 T C -0.979 173.696 174.700 -0.042 0.000 0.990 353 T CA -0.381 61.755 62.100 0.060 0.000 0.960 353 T CB 0.748 69.741 68.868 0.207 0.000 0.939 353 T HN 0.132 nan 8.240 nan 0.000 0.439 354 W N 2.717 124.063 121.300 0.076 0.000 2.356 354 W HA 0.419 5.085 4.660 0.011 0.000 0.311 354 W C -0.020 176.370 176.519 -0.216 0.000 1.328 354 W CA -0.720 56.605 57.345 -0.032 0.000 1.251 354 W CB 0.257 29.710 29.460 -0.012 0.000 1.280 354 W HN 0.323 nan 8.180 nan 0.000 0.524 355 V N 5.476 125.227 119.914 -0.272 0.000 2.479 355 V HA 0.130 4.255 4.120 0.009 0.000 0.281 355 V C 0.295 176.108 176.094 -0.469 0.000 1.031 355 V CA -0.130 61.632 62.300 -0.897 0.000 1.038 355 V CB -0.137 31.359 31.823 -0.545 0.000 0.981 355 V HN 0.620 nan 8.190 nan 0.000 0.478 356 Q N 2.622 122.086 119.800 -0.560 0.000 2.575 356 Q HA 0.400 4.745 4.340 0.009 0.000 0.290 356 Q C -1.418 174.701 176.000 0.198 0.000 0.963 356 Q CA -0.986 54.797 55.803 -0.033 0.000 0.783 356 Q CB 1.864 30.654 28.738 0.086 0.000 1.467 356 Q HN 0.445 nan 8.270 nan 0.000 0.402 357 D N 1.624 122.157 120.400 0.222 0.000 2.402 357 D HA 0.197 4.842 4.640 0.009 0.000 0.235 357 D C 0.361 176.865 176.300 0.341 0.000 1.226 357 D CA -0.063 54.137 54.000 0.333 0.000 0.918 357 D CB 0.363 41.334 40.800 0.285 0.000 1.043 357 D HN 0.617 nan 8.370 nan 0.000 0.506 358 L N 3.156 124.653 121.223 0.456 0.000 2.395 358 L HA 0.048 4.394 4.340 0.009 0.000 0.218 358 L C 1.261 178.233 176.870 0.171 0.000 1.130 358 L CA 0.098 55.092 54.840 0.257 0.000 0.826 358 L CB -0.603 41.528 42.059 0.119 0.000 0.941 358 L HN 0.569 nan 8.230 nan 0.000 0.451 359 N N 0.380 119.241 118.700 0.267 0.000 2.714 359 N HA -0.232 4.513 4.740 0.009 0.000 0.250 359 N C 0.355 175.866 175.510 0.003 0.000 1.117 359 N CA 0.131 53.198 53.050 0.028 0.000 0.719 359 N CB -0.391 38.019 38.487 -0.129 0.000 1.081 359 N HN 0.250 nan 8.380 nan 0.000 0.557 360 R N 0.948 121.493 120.500 0.076 0.000 2.491 360 R HA 0.066 4.412 4.340 0.009 0.000 0.283 360 R C 0.188 176.468 176.300 -0.033 0.000 1.072 360 R CA -0.042 56.020 56.100 -0.064 0.000 1.048 360 R CB 0.321 30.417 30.300 -0.340 0.000 0.983 360 R HN 0.311 nan 8.270 nan 0.000 0.450 361 N N 0.222 118.850 118.700 -0.121 0.000 2.725 361 N HA -0.231 4.514 4.740 0.009 0.000 0.251 361 N C -1.528 173.804 175.510 -0.298 0.000 1.031 361 N CA 1.415 54.306 53.050 -0.263 0.000 0.720 361 N CB -0.690 37.498 38.487 -0.498 0.000 0.930 361 N HN 0.698 nan 8.380 nan 0.000 0.543 362 A N -0.551 122.169 122.820 -0.168 0.000 2.608 362 A HA 0.512 4.837 4.320 0.009 0.000 0.292 362 A C -0.424 177.090 177.584 -0.116 0.000 1.066 362 A CA -0.817 51.147 52.037 -0.123 0.000 0.676 362 A CB 1.153 20.118 19.000 -0.058 0.000 1.277 362 A HN 0.140 nan 8.150 nan 0.000 0.413 363 E N 0.914 121.075 120.200 -0.065 0.000 2.418 363 E HA 0.265 4.621 4.350 0.009 0.000 0.261 363 E C -0.195 176.344 176.600 -0.101 0.000 1.070 363 E CA 0.167 56.538 56.400 -0.047 0.000 0.931 363 E CB 0.340 30.044 29.700 0.006 0.000 0.954 363 E HN 0.588 nan 8.360 nan 0.000 0.439 364 T N 2.643 117.154 114.554 -0.072 0.000 2.849 364 T HA -0.064 4.292 4.350 0.009 0.000 0.289 364 T C -0.049 174.662 174.700 0.018 0.000 1.010 364 T CA 0.434 62.492 62.100 -0.070 0.000 1.161 364 T CB -0.219 68.642 68.868 -0.012 0.000 0.989 364 T HN 0.303 nan 8.240 nan 0.000 0.523 365 H N 2.457 121.564 119.070 0.061 0.000 2.764 365 H HA 0.250 4.811 4.556 0.009 0.000 0.341 365 H C 0.515 175.880 175.328 0.063 0.000 1.072 365 H CA -0.509 55.581 56.048 0.070 0.000 1.444 365 H CB 0.612 30.425 29.762 0.085 0.000 1.458 365 H HN 0.194 nan 8.280 nan 0.000 0.572 366 K N 1.935 122.451 120.400 0.194 0.000 2.328 366 K HA 0.496 4.822 4.320 0.009 0.000 0.246 366 K C 0.428 177.097 176.600 0.115 0.000 0.955 366 K CA -0.224 56.139 56.287 0.126 0.000 0.817 366 K CB 2.287 34.847 32.500 0.099 0.000 1.208 366 K HN 0.989 nan 8.250 nan 0.000 0.432 367 G N 0.809 109.667 108.800 0.097 0.000 2.698 367 G HA2 -0.221 3.744 3.960 0.009 0.000 0.225 367 G HA3 -0.221 3.744 3.960 0.009 0.000 0.225 367 G C -0.619 174.323 174.900 0.069 0.000 1.345 367 G CA -0.689 44.467 45.100 0.094 0.000 0.871 367 G HN 0.454 nan 8.290 nan 0.000 0.540 368 S N -0.118 115.617 115.700 0.060 0.000 2.573 368 S HA 0.550 5.026 4.470 0.009 0.000 0.277 368 S C 0.565 175.092 174.600 -0.121 0.000 1.346 368 S CA 0.695 58.869 58.200 -0.045 0.000 1.034 368 S CB 0.997 64.194 63.200 -0.005 0.000 0.879 368 S HN 0.942 nan 8.310 nan 0.000 0.528 369 T N 2.957 117.375 114.554 -0.226 0.000 2.797 369 T HA 0.508 4.863 4.350 0.009 0.000 0.279 369 T C -0.730 173.751 174.700 -0.365 0.000 0.991 369 T CA -0.297 61.700 62.100 -0.171 0.000 0.979 369 T CB 0.245 69.082 68.868 -0.051 0.000 0.943 369 T HN 0.334 nan 8.240 nan 0.000 0.444 370 F N 2.748 122.733 119.950 0.058 0.000 2.404 370 F HA 0.560 5.093 4.527 0.010 0.000 0.354 370 F C 0.333 176.190 175.800 0.096 0.000 1.122 370 F CA -1.058 56.980 58.000 0.064 0.000 1.080 370 F CB 0.784 39.803 39.000 0.031 0.000 1.131 370 F HN 0.292 nan 8.300 nan 0.000 0.471 371 I N 5.358 126.082 120.570 0.256 0.000 2.382 371 I HA 0.338 4.514 4.170 0.009 0.000 0.286 371 I C -0.886 175.407 176.117 0.293 0.000 1.002 371 I CA -0.679 60.755 61.300 0.223 0.000 1.135 371 I CB 1.461 39.552 38.000 0.152 0.000 1.288 371 I HN 0.339 nan 8.210 nan 0.000 0.448 372 I N 5.580 126.299 120.570 0.249 0.000 2.328 372 I HA 0.362 4.538 4.170 0.009 0.000 0.287 372 I C 0.959 177.180 176.117 0.173 0.000 1.012 372 I CA -0.143 61.302 61.300 0.242 0.000 1.195 372 I CB 0.784 38.916 38.000 0.220 0.000 1.350 372 I HN 0.589 nan 8.210 nan 0.000 0.464 373 G N 4.780 113.681 108.800 0.167 0.000 2.570 373 G HA2 0.421 4.386 3.960 0.009 0.000 0.276 373 G HA3 0.421 4.386 3.960 0.009 0.000 0.276 373 G C 0.156 175.110 174.900 0.090 0.000 1.346 373 G CA -0.178 44.984 45.100 0.103 0.000 1.034 373 G HN 0.673 nan 8.290 nan 0.000 0.512 374 S N -1.929 113.807 115.700 0.059 0.000 2.767 374 S HA 0.363 4.838 4.470 0.009 0.000 0.300 374 S C 0.130 174.757 174.600 0.045 0.000 1.123 374 S CA -0.568 57.667 58.200 0.059 0.000 0.992 374 S CB 1.979 65.211 63.200 0.053 0.000 1.138 374 S HN 0.343 nan 8.310 nan 0.000 0.550 375 D N 0.815 121.242 120.400 0.044 0.000 2.336 375 D HA 0.263 4.909 4.640 0.009 0.000 0.229 375 D C 0.204 176.517 176.300 0.022 0.000 1.061 375 D CA 0.367 54.388 54.000 0.035 0.000 0.875 375 D CB 0.058 40.881 40.800 0.037 0.000 0.904 375 D HN 0.372 nan 8.370 nan 0.000 0.525 376 S N 0.176 115.884 115.700 0.013 0.000 2.768 376 S HA 0.299 4.774 4.470 0.009 0.000 0.300 376 S C 0.126 174.708 174.600 -0.030 0.000 1.122 376 S CA -0.841 57.356 58.200 -0.004 0.000 0.995 376 S CB 0.862 64.060 63.200 -0.003 0.000 1.195 376 S HN 0.026 nan 8.310 nan 0.000 0.547 377 N N 3.062 121.733 118.700 -0.049 0.000 2.416 377 N HA 0.213 4.958 4.740 0.009 0.000 0.265 377 N C -1.011 174.419 175.510 -0.133 0.000 1.195 377 N CA 0.301 53.298 53.050 -0.088 0.000 0.943 377 N CB -0.126 38.310 38.487 -0.086 0.000 1.115 377 N HN 0.421 nan 8.380 nan 0.000 0.481 378 D N 1.442 121.732 120.400 -0.183 0.000 2.269 378 D HA 0.391 5.037 4.640 0.009 0.000 0.244 378 D C 0.114 176.181 176.300 -0.389 0.000 0.992 378 D CA -0.416 53.441 54.000 -0.237 0.000 0.894 378 D CB 1.945 42.632 40.800 -0.189 0.000 1.248 378 D HN 0.196 nan 8.370 nan 0.000 0.468 379 L N 1.839 122.777 121.223 -0.476 0.000 2.280 379 L HA 0.505 4.851 4.340 0.009 0.000 0.287 379 L C -0.209 176.476 176.870 -0.308 0.000 1.023 379 L CA -0.539 53.830 54.840 -0.784 0.000 0.819 379 L CB 0.997 42.104 42.059 -1.586 0.000 1.212 379 L HN 0.144 nan 8.230 nan 0.000 0.420 380 I N 3.436 123.990 120.570 -0.026 0.000 2.418 380 I HA 0.272 4.448 4.170 0.009 0.000 0.287 380 I C -0.465 175.892 176.117 0.400 0.000 1.008 380 I CA -0.522 60.860 61.300 0.137 0.000 1.104 380 I CB 2.172 40.192 38.000 0.033 0.000 1.264 380 I HN 0.549 nan 8.210 nan 0.000 0.438 381 Q N 5.436 125.416 119.800 0.300 0.000 2.381 381 Q HA 0.541 4.887 4.340 0.009 0.000 0.263 381 Q C -0.379 175.675 176.000 0.090 0.000 1.030 381 Q CA -0.432 55.465 55.803 0.157 0.000 0.772 381 Q CB 1.760 30.526 28.738 0.047 0.000 1.232 381 Q HN 0.764 nan 8.270 nan 0.000 0.476 382 G N 1.842 110.691 108.800 0.082 0.000 2.539 382 G HA2 0.510 4.476 3.960 0.009 0.000 0.258 382 G HA3 0.510 4.476 3.960 0.009 0.000 0.258 382 G C 0.066 174.968 174.900 0.004 0.000 1.202 382 G CA -0.156 44.964 45.100 0.034 0.000 0.851 382 G HN 0.718 nan 8.290 nan 0.000 0.556 383 G N -0.942 107.858 108.800 -0.000 0.000 2.525 383 G HA2 0.385 4.351 3.960 0.009 0.000 0.287 383 G HA3 0.385 4.351 3.960 0.009 0.000 0.287 383 G C 1.326 176.217 174.900 -0.016 0.000 1.350 383 G CA 0.586 45.688 45.100 0.003 0.000 1.039 383 G HN 1.108 nan 8.290 nan 0.000 0.513 384 S N -1.431 114.265 115.700 -0.007 0.000 2.527 384 S HA 0.214 4.689 4.470 0.009 0.000 0.222 384 S C 1.368 175.962 174.600 -0.011 0.000 0.985 384 S CA 0.614 58.805 58.200 -0.014 0.000 0.921 384 S CB -0.182 63.014 63.200 -0.007 0.000 0.772 384 S HN 0.852 nan 8.310 nan 0.000 0.529 385 G N 1.621 110.420 108.800 -0.002 0.000 2.582 385 G HA2 0.395 4.361 3.960 0.009 0.000 0.232 385 G HA3 0.395 4.361 3.960 0.009 0.000 0.232 385 G C -0.559 174.324 174.900 -0.028 0.000 1.458 385 G CA -0.885 44.220 45.100 0.008 0.000 1.062 385 G HN 0.385 nan 8.290 nan 0.000 0.566 386 N N 1.089 119.765 118.700 -0.039 0.000 2.455 386 N HA 0.396 5.141 4.740 0.009 0.000 0.280 386 N C -1.457 173.878 175.510 -0.292 0.000 1.055 386 N CA -0.065 52.908 53.050 -0.128 0.000 0.961 386 N CB 1.685 40.132 38.487 -0.068 0.000 1.121 386 N HN 0.335 nan 8.380 nan 0.000 0.476 387 D N 0.600 120.735 120.400 -0.441 0.000 2.738 387 D HA 0.317 4.963 4.640 0.009 0.000 0.237 387 D C -1.026 174.774 176.300 -0.834 0.000 1.123 387 D CA -0.314 53.392 54.000 -0.490 0.000 0.856 387 D CB 1.206 41.870 40.800 -0.228 0.000 1.552 387 D HN 0.337 nan 8.370 nan 0.000 0.480 388 Y N 1.228 121.179 120.300 -0.583 0.000 2.388 388 Y HA 0.437 4.993 4.550 0.010 0.000 0.328 388 Y C -0.555 175.125 175.900 -0.368 0.000 0.963 388 Y CA -0.839 56.734 58.100 -0.878 0.000 1.240 388 Y CB 0.799 38.278 38.460 -1.635 0.000 1.118 388 Y HN 0.099 nan 8.280 nan 0.000 0.484 389 L N 3.436 124.730 121.223 0.117 0.000 2.305 389 L HA 0.566 4.912 4.340 0.009 0.000 0.284 389 L C -0.327 176.884 176.870 0.568 0.000 1.013 389 L CA -0.662 54.393 54.840 0.358 0.000 0.819 389 L CB 2.015 44.231 42.059 0.261 0.000 1.227 389 L HN 0.546 nan 8.230 nan 0.000 0.417 390 E N 1.592 122.155 120.200 0.605 0.000 2.182 390 E HA 0.341 4.697 4.350 0.009 0.000 0.258 390 E C 0.569 177.408 176.600 0.398 0.000 0.879 390 E CA -0.329 56.324 56.400 0.422 0.000 0.754 390 E CB 1.840 31.715 29.700 0.292 0.000 1.162 390 E HN 0.752 nan 8.360 nan 0.000 0.419 391 G N 3.789 112.873 108.800 0.472 0.000 2.464 391 G HA2 -0.063 3.903 3.960 0.009 0.000 0.217 391 G HA3 -0.063 3.903 3.960 0.009 0.000 0.217 391 G C 0.539 175.539 174.900 0.167 0.000 1.138 391 G CA 0.379 45.693 45.100 0.357 0.000 0.793 391 G HN 0.712 nan 8.290 nan 0.000 0.539 392 R N -1.034 119.550 120.500 0.141 0.000 3.906 392 R HA -0.162 4.184 4.340 0.009 0.000 0.449 392 R C 0.797 177.136 176.300 0.066 0.000 0.241 392 R CA 0.362 56.510 56.100 0.080 0.000 1.420 392 R CB -1.535 28.806 30.300 0.069 0.000 1.053 392 R HN 0.632 nan 8.270 nan 0.000 0.539 393 A N 0.342 123.189 122.820 0.045 0.000 2.366 393 A HA 0.531 4.857 4.320 0.009 0.000 0.250 393 A C 0.772 178.371 177.584 0.025 0.000 1.099 393 A CA 0.699 52.756 52.037 0.033 0.000 0.794 393 A CB -0.150 18.866 19.000 0.026 0.000 1.056 393 A HN 1.685 nan 8.150 nan 0.000 0.499 394 G N -0.077 108.732 108.800 0.016 0.000 2.699 394 G HA2 -0.098 3.867 3.960 0.009 0.000 0.686 394 G HA3 -0.098 3.867 3.960 0.009 0.000 0.686 394 G C -0.714 174.184 174.900 -0.004 0.000 1.301 394 G CA -0.395 44.705 45.100 -0.001 0.000 0.816 394 G HN 0.984 nan 8.290 nan 0.000 0.595 395 N N 2.170 120.858 118.700 -0.021 0.000 2.508 395 N HA 0.247 4.993 4.740 0.009 0.000 0.253 395 N C -0.487 174.981 175.510 -0.069 0.000 1.145 395 N CA 0.069 53.105 53.050 -0.024 0.000 0.973 395 N CB 0.577 39.051 38.487 -0.022 0.000 1.305 395 N HN 0.518 nan 8.380 nan 0.000 0.506 396 D N 0.843 121.197 120.400 -0.076 0.000 2.193 396 D HA 0.301 4.947 4.640 0.009 0.000 0.249 396 D C 0.071 176.196 176.300 -0.291 0.000 1.034 396 D CA 0.080 53.930 54.000 -0.250 0.000 0.902 396 D CB 1.571 42.157 40.800 -0.356 0.000 1.182 396 D HN 0.160 nan 8.370 nan 0.000 0.436 397 T N 1.522 115.827 114.554 -0.415 0.000 2.792 397 T HA 0.459 4.815 4.350 0.009 0.000 0.280 397 T C -0.366 174.189 174.700 -0.241 0.000 0.990 397 T CA -0.542 61.444 62.100 -0.189 0.000 0.960 397 T CB 0.388 69.222 68.868 -0.058 0.000 0.939 397 T HN 0.096 nan 8.240 nan 0.000 0.439 398 F N 1.782 121.869 119.950 0.228 0.000 2.492 398 F HA 0.725 5.257 4.527 0.009 0.000 0.327 398 F C 0.867 176.791 175.800 0.206 0.000 1.079 398 F CA -1.138 57.009 58.000 0.245 0.000 0.967 398 F CB 1.648 40.724 39.000 0.127 0.000 1.169 398 F HN 0.205 nan 8.300 nan 0.000 0.472 399 R N 0.537 121.216 120.500 0.299 0.000 2.837 399 R HA 0.584 4.930 4.340 0.009 0.000 0.271 399 R C -1.966 174.360 176.300 0.044 0.000 0.993 399 R CA -1.110 55.009 56.100 0.032 0.000 0.931 399 R CB 2.577 32.681 30.300 -0.327 0.000 1.206 399 R HN 0.728 nan 8.270 nan 0.000 0.474 400 D N -0.914 119.482 120.400 -0.007 0.000 2.886 400 D HA 0.242 4.888 4.640 0.009 0.000 0.216 400 D C 0.239 176.526 176.300 -0.022 0.000 1.256 400 D CA -0.360 53.634 54.000 -0.009 0.000 0.844 400 D CB 1.646 42.442 40.800 -0.007 0.000 1.669 400 D HN 0.547 nan 8.370 nan 0.000 0.513 401 G N 1.448 110.230 108.800 -0.030 0.000 2.744 401 G HA2 0.496 4.462 3.960 0.009 0.000 0.211 401 G HA3 0.496 4.462 3.960 0.009 0.000 0.211 401 G C 0.799 175.682 174.900 -0.028 0.000 1.143 401 G CA 0.496 45.579 45.100 -0.028 0.000 0.788 401 G HN 0.873 nan 8.290 nan 0.000 0.534 402 G N -2.513 106.263 108.800 -0.040 0.000 2.346 402 G HA2 0.517 4.483 3.960 0.009 0.000 0.294 402 G HA3 0.517 4.483 3.960 0.009 0.000 0.294 402 G C 0.331 175.164 174.900 -0.111 0.000 1.294 402 G CA 0.275 45.333 45.100 -0.070 0.000 0.962 402 G HN 1.860 nan 8.290 nan 0.000 0.508 403 G N -1.487 107.208 108.800 -0.174 0.000 2.542 403 G HA2 0.217 4.183 3.960 0.009 0.000 0.235 403 G HA3 0.217 4.183 3.960 0.009 0.000 0.235 403 G C -0.549 174.105 174.900 -0.410 0.000 1.286 403 G CA 0.394 45.379 45.100 -0.192 0.000 0.904 403 G HN 1.769 nan 8.290 nan 0.000 0.577 404 Y N 1.821 122.073 120.300 -0.080 0.000 2.350 404 Y HA 0.648 5.204 4.550 0.011 0.000 0.338 404 Y C 0.548 176.325 175.900 -0.204 0.000 0.961 404 Y CA -0.804 57.241 58.100 -0.092 0.000 1.100 404 Y CB 2.121 40.546 38.460 -0.059 0.000 1.179 404 Y HN 0.636 nan 8.280 nan 0.000 0.454 405 N N 1.537 120.179 118.700 -0.097 0.000 2.329 405 N HA 0.585 5.331 4.740 0.009 0.000 0.282 405 N C -1.760 173.622 175.510 -0.213 0.000 1.198 405 N CA -0.698 52.186 53.050 -0.278 0.000 0.790 405 N CB 2.765 41.127 38.487 -0.208 0.000 1.579 405 N HN 0.226 nan 8.380 nan 0.000 0.475 406 V N 1.473 121.202 119.914 -0.309 0.000 2.555 406 V HA 0.586 4.712 4.120 0.009 0.000 0.302 406 V C -0.103 176.006 176.094 0.024 0.000 1.038 406 V CA -0.638 61.651 62.300 -0.018 0.000 0.887 406 V CB 1.657 33.651 31.823 0.286 0.000 0.991 406 V HN 0.537 nan 8.190 nan 0.000 0.434 407 I N 5.568 126.134 120.570 -0.007 0.000 2.476 407 I HA 0.396 4.571 4.170 0.009 0.000 0.281 407 I C -0.888 175.114 176.117 -0.192 0.000 1.040 407 I CA -0.259 60.922 61.300 -0.198 0.000 1.094 407 I CB 1.594 39.345 38.000 -0.415 0.000 1.219 407 I HN 0.350 nan 8.210 nan 0.000 0.450 408 L N 5.563 126.744 121.223 -0.070 0.000 2.264 408 L HA 0.400 4.746 4.340 0.009 0.000 0.287 408 L C 1.525 178.367 176.870 -0.047 0.000 1.039 408 L CA -0.266 54.537 54.840 -0.061 0.000 0.829 408 L CB 1.442 43.458 42.059 -0.071 0.000 1.211 408 L HN 0.768 nan 8.230 nan 0.000 0.427 409 G N 2.140 110.912 108.800 -0.046 0.000 2.448 409 G HA2 0.162 4.127 3.960 0.009 0.000 0.219 409 G HA3 0.162 4.127 3.960 0.009 0.000 0.219 409 G C 0.911 175.926 174.900 0.192 0.000 1.127 409 G CA 0.650 45.856 45.100 0.178 0.000 0.766 409 G HN 0.921 nan 8.290 nan 0.000 0.552 410 G N -0.535 108.316 108.800 0.084 0.000 2.645 410 G HA2 0.241 4.207 3.960 0.009 0.000 0.239 410 G HA3 0.241 4.207 3.960 0.009 0.000 0.239 410 G C 0.490 175.420 174.900 0.050 0.000 1.331 410 G CA 0.220 45.355 45.100 0.058 0.000 0.890 410 G HN 1.448 nan 8.290 nan 0.000 0.572 411 A N -0.703 122.140 122.820 0.039 0.000 2.346 411 A HA 0.903 5.229 4.320 0.009 0.000 0.255 411 A C 1.764 179.371 177.584 0.039 0.000 1.113 411 A CA 2.002 54.057 52.037 0.030 0.000 0.798 411 A CB -0.040 18.973 19.000 0.022 0.000 1.073 411 A HN 3.050 nan 8.150 nan 0.000 0.502 412 G N -0.150 108.667 108.800 0.028 0.000 2.685 412 G HA2 -0.108 3.857 3.960 0.009 0.000 0.387 412 G HA3 -0.108 3.857 3.960 0.009 0.000 0.387 412 G C -0.736 174.183 174.900 0.032 0.000 1.324 412 G CA -0.309 44.807 45.100 0.027 0.000 0.878 412 G HN 0.978 nan 8.290 nan 0.000 0.527 413 N N 2.192 120.908 118.700 0.027 0.000 2.527 413 N HA 0.290 5.035 4.740 0.009 0.000 0.236 413 N C -0.331 175.207 175.510 0.047 0.000 0.999 413 N CA -0.368 52.700 53.050 0.030 0.000 0.935 413 N CB 0.530 39.027 38.487 0.016 0.000 1.132 413 N HN 0.529 nan 8.380 nan 0.000 0.511 414 N N 0.819 119.567 118.700 0.081 0.000 2.443 414 N HA 0.455 5.201 4.740 0.009 0.000 0.293 414 N C -0.412 175.189 175.510 0.151 0.000 1.159 414 N CA -0.132 53.004 53.050 0.143 0.000 0.904 414 N CB 1.798 40.441 38.487 0.259 0.000 1.214 414 N HN 0.193 nan 8.380 nan 0.000 0.513 415 T N 0.945 115.619 114.554 0.200 0.000 2.916 415 T HA 0.335 4.690 4.350 0.009 0.000 0.298 415 T C -0.843 174.020 174.700 0.271 0.000 1.031 415 T CA -0.513 61.690 62.100 0.172 0.000 0.993 415 T CB 1.604 70.538 68.868 0.111 0.000 1.045 415 T HN 0.252 nan 8.240 nan 0.000 0.454 416 L N 3.398 124.734 121.223 0.190 0.000 2.280 416 L HA 0.629 4.975 4.340 0.009 0.000 0.287 416 L C -0.807 176.130 176.870 0.112 0.000 1.023 416 L CA -0.525 54.425 54.840 0.185 0.000 0.819 416 L CB 1.041 43.150 42.059 0.083 0.000 1.212 416 L HN 0.548 nan 8.230 nan 0.000 0.420 417 D N 4.447 124.927 120.400 0.133 0.000 2.412 417 D HA 0.215 4.861 4.640 0.009 0.000 0.224 417 D C 0.653 176.963 176.300 0.016 0.000 1.093 417 D CA -0.084 53.966 54.000 0.083 0.000 0.850 417 D CB 0.790 41.670 40.800 0.134 0.000 1.046 417 D HN 0.661 nan 8.370 nan 0.000 0.507 418 L N 2.747 123.950 121.223 -0.033 0.000 2.492 418 L HA 0.039 4.384 4.340 0.009 0.000 0.223 418 L C 1.167 178.064 176.870 0.046 0.000 1.132 418 L CA 0.136 54.921 54.840 -0.091 0.000 0.850 418 L CB -0.325 41.481 42.059 -0.422 0.000 0.966 418 L HN 0.566 nan 8.230 nan 0.000 0.454 419 Q N -0.031 119.798 119.800 0.048 0.000 2.406 419 Q HA -0.250 4.095 4.340 0.009 0.000 0.236 419 Q C -0.117 175.940 176.000 0.094 0.000 0.799 419 Q CA 1.464 57.298 55.803 0.052 0.000 1.286 419 Q CB -1.374 27.366 28.738 0.003 0.000 1.615 419 Q HN 0.689 nan 8.270 nan 0.000 0.621 420 K N -2.214 118.285 120.400 0.166 0.000 2.454 420 K HA 0.610 4.936 4.320 0.009 0.000 0.279 420 K C -0.673 176.072 176.600 0.241 0.000 1.020 420 K CA -0.739 55.656 56.287 0.180 0.000 0.850 420 K CB 1.189 33.787 32.500 0.162 0.000 1.529 420 K HN -0.078 nan 8.250 nan 0.000 0.390 421 S N 0.073 115.892 115.700 0.198 0.000 2.549 421 S HA 0.008 4.483 4.470 0.009 0.000 0.283 421 S C 1.013 175.804 174.600 0.317 0.000 1.320 421 S CA -0.414 57.903 58.200 0.194 0.000 1.058 421 S CB 0.960 64.227 63.200 0.111 0.000 0.882 421 S HN 0.499 nan 8.310 nan 0.000 0.498 422 V N 5.295 125.375 119.914 0.276 0.000 2.568 422 V HA -0.195 3.930 4.120 0.009 0.000 0.253 422 V C 1.659 177.947 176.094 0.323 0.000 1.072 422 V CA 2.606 65.093 62.300 0.312 0.000 1.084 422 V CB -0.959 30.925 31.823 0.102 0.000 0.676 422 V HN 0.943 nan 8.190 nan 0.000 0.469 423 N N -0.049 118.765 118.700 0.190 0.000 2.453 423 N HA -0.114 4.632 4.740 0.009 0.000 0.183 423 N C 1.482 177.016 175.510 0.041 0.000 1.041 423 N CA 1.392 54.506 53.050 0.108 0.000 0.900 423 N CB -0.148 38.377 38.487 0.064 0.000 0.961 423 N HN 0.711 nan 8.380 nan 0.000 0.443 424 T N -2.214 112.340 114.554 -0.001 0.000 3.169 424 T HA 0.167 4.523 4.350 0.009 0.000 0.250 424 T C -0.006 174.385 174.700 -0.515 0.000 1.111 424 T CA -0.012 61.938 62.100 -0.249 0.000 1.010 424 T CB -0.358 68.292 68.868 -0.363 0.000 0.984 424 T HN -0.075 nan 8.240 nan 0.000 0.537 425 F N 0.758 120.642 119.950 -0.110 0.000 2.588 425 F HA 0.604 5.135 4.527 0.006 0.000 0.314 425 F C -0.351 175.239 175.800 -0.350 0.000 1.069 425 F CA -1.436 56.380 58.000 -0.306 0.000 0.931 425 F CB 1.725 40.402 39.000 -0.539 0.000 1.260 425 F HN -0.084 nan 8.300 nan 0.000 0.465 426 D N 1.139 121.395 120.400 -0.240 0.000 2.228 426 D HA 0.495 5.141 4.640 0.009 0.000 0.247 426 D C -1.173 174.809 176.300 -0.531 0.000 0.995 426 D CA -0.085 53.783 54.000 -0.221 0.000 0.903 426 D CB 1.949 42.733 40.800 -0.027 0.000 1.205 426 D HN 0.143 nan 8.370 nan 0.000 0.459 427 F N 0.460 120.411 119.950 0.002 0.000 2.556 427 F HA 0.648 5.180 4.527 0.008 0.000 0.314 427 F C 0.253 175.964 175.800 -0.149 0.000 1.106 427 F CA -0.780 57.217 58.000 -0.006 0.000 0.911 427 F CB 2.001 41.078 39.000 0.129 0.000 1.190 427 F HN 0.300 nan 8.300 nan 0.000 0.448 428 A N 2.440 125.112 122.820 -0.246 0.000 2.527 428 A HA 0.806 5.132 4.320 0.009 0.000 0.293 428 A C -1.616 175.696 177.584 -0.454 0.000 1.117 428 A CA -0.677 51.023 52.037 -0.562 0.000 0.723 428 A CB 2.134 20.227 19.000 -1.511 0.000 1.313 428 A HN 0.660 nan 8.150 nan 0.000 0.411 429 N N 0.412 118.783 118.700 -0.548 0.000 2.542 429 N HA 0.180 4.925 4.740 0.009 0.000 0.288 429 N C -1.170 173.982 175.510 -0.597 0.000 1.115 429 N CA -0.113 52.551 53.050 -0.645 0.000 0.924 429 N CB 1.919 39.711 38.487 -1.158 0.000 1.526 429 N HN 0.671 nan 8.380 nan 0.000 0.515 430 D N 2.103 122.027 120.400 -0.793 0.000 2.349 430 D HA 0.151 4.796 4.640 0.009 0.000 0.224 430 D C 1.221 177.283 176.300 -0.396 0.000 1.029 430 D CA 0.758 54.125 54.000 -1.056 0.000 0.879 430 D CB -0.331 39.716 40.800 -1.254 0.000 0.906 430 D HN 0.804 nan 8.370 nan 0.000 0.528 431 G N -0.125 108.505 108.800 -0.284 0.000 2.196 431 G HA2 -0.292 3.673 3.960 0.009 0.000 0.268 431 G HA3 -0.292 3.673 3.960 0.009 0.000 0.268 431 G C 0.892 175.724 174.900 -0.113 0.000 0.975 431 G CA 0.456 45.468 45.100 -0.146 0.000 0.648 431 G HN 0.940 nan 8.290 nan 0.000 0.538 432 A N -0.522 122.213 122.820 -0.142 0.000 2.545 432 A HA 0.667 4.993 4.320 0.009 0.000 0.277 432 A C 2.128 179.653 177.584 -0.098 0.000 1.301 432 A CA 1.384 53.368 52.037 -0.089 0.000 0.935 432 A CB -0.359 18.606 19.000 -0.058 0.000 1.093 432 A HN 2.313 nan 8.150 nan 0.000 0.519 433 G N -0.177 108.547 108.800 -0.128 0.000 2.195 433 G HA2 -0.218 3.747 3.960 0.009 0.000 0.246 433 G HA3 -0.218 3.747 3.960 0.009 0.000 0.246 433 G C -0.155 174.633 174.900 -0.187 0.000 0.984 433 G CA -0.008 45.016 45.100 -0.127 0.000 0.633 433 G HN 0.484 nan 8.290 nan 0.000 0.525 434 N N 0.570 119.108 118.700 -0.271 0.000 2.426 434 N HA 0.489 5.235 4.740 0.009 0.000 0.257 434 N C -0.683 174.477 175.510 -0.585 0.000 1.002 434 N CA -0.213 52.559 53.050 -0.462 0.000 0.942 434 N CB 2.049 40.182 38.487 -0.590 0.000 1.112 434 N HN 0.362 nan 8.380 nan 0.000 0.499 435 L N 3.920 124.851 121.223 -0.487 0.000 2.265 435 L HA 0.415 4.761 4.340 0.009 0.000 0.289 435 L C -1.326 175.321 176.870 -0.371 0.000 1.033 435 L CA -0.574 54.053 54.840 -0.355 0.000 0.814 435 L CB 0.178 42.138 42.059 -0.165 0.000 1.203 435 L HN 0.326 nan 8.230 nan 0.000 0.423 436 Y N 4.137 124.363 120.300 -0.124 0.000 2.320 436 Y HA 0.605 5.160 4.550 0.009 0.000 0.334 436 Y C -0.054 175.807 175.900 -0.066 0.000 1.055 436 Y CA -0.683 57.386 58.100 -0.051 0.000 1.143 436 Y CB 1.655 40.107 38.460 -0.014 0.000 1.193 436 Y HN 0.288 nan 8.280 nan 0.000 0.477 437 V N 4.787 124.760 119.914 0.098 0.000 2.443 437 V HA 0.452 4.577 4.120 0.009 0.000 0.293 437 V C -0.478 175.612 176.094 -0.006 0.000 1.021 437 V CA -1.049 61.212 62.300 -0.065 0.000 0.848 437 V CB 1.495 33.280 31.823 -0.063 0.000 0.998 437 V HN 0.702 nan 8.190 nan 0.000 0.424 438 R N 3.259 123.729 120.500 -0.050 0.000 2.343 438 R HA 0.466 4.811 4.340 0.009 0.000 0.320 438 R C -0.451 175.851 176.300 0.003 0.000 0.956 438 R CA -0.570 55.548 56.100 0.029 0.000 0.836 438 R CB 1.225 31.602 30.300 0.128 0.000 1.151 438 R HN 0.928 nan 8.270 nan 0.000 0.450 439 D N 3.327 123.709 120.400 -0.028 0.000 2.414 439 D HA 0.081 4.726 4.640 0.009 0.000 0.251 439 D C 0.822 176.945 176.300 -0.295 0.000 1.252 439 D CA -0.230 53.625 54.000 -0.242 0.000 0.999 439 D CB 0.704 41.405 40.800 -0.165 0.000 1.093 439 D HN 0.421 nan 8.370 nan 0.000 0.515 440 A N -0.006 122.572 122.820 -0.403 0.000 2.121 440 A HA -0.145 4.180 4.320 0.009 0.000 0.218 440 A C 1.466 178.950 177.584 -0.168 0.000 1.154 440 A CA 0.750 52.626 52.037 -0.268 0.000 0.679 440 A CB -0.652 18.180 19.000 -0.280 0.000 0.795 440 A HN 0.562 nan 8.150 nan 0.000 0.458 441 N N -0.732 117.871 118.700 -0.161 0.000 2.322 441 N HA 0.146 4.892 4.740 0.009 0.000 0.194 441 N C 1.142 176.600 175.510 -0.088 0.000 1.126 441 N CA 0.944 53.929 53.050 -0.107 0.000 0.845 441 N CB 0.522 38.950 38.487 -0.098 0.000 0.976 441 N HN 0.604 nan 8.380 nan 0.000 0.475 442 G N 0.077 108.817 108.800 -0.101 0.000 2.176 442 G HA2 -0.241 3.724 3.960 0.009 0.000 0.253 442 G HA3 -0.241 3.724 3.960 0.009 0.000 0.253 442 G C 0.536 175.337 174.900 -0.166 0.000 0.979 442 G CA 0.001 45.064 45.100 -0.061 0.000 0.641 442 G HN 0.556 nan 8.290 nan 0.000 0.530 443 G N 0.020 108.605 108.800 -0.358 0.000 2.305 443 G HA2 0.445 4.411 3.960 0.009 0.000 0.243 443 G HA3 0.445 4.411 3.960 0.009 0.000 0.243 443 G C 0.056 174.676 174.900 -0.466 0.000 1.288 443 G CA 0.130 44.768 45.100 -0.770 0.000 0.901 443 G HN 0.739 nan 8.290 nan 0.000 0.516 444 I N 1.416 121.686 120.570 -0.500 0.000 2.378 444 I HA 0.243 4.419 4.170 0.009 0.000 0.291 444 I C 0.101 176.234 176.117 0.027 0.000 0.992 444 I CA -0.378 60.920 61.300 -0.003 0.000 1.154 444 I CB 2.114 40.267 38.000 0.255 0.000 1.315 444 I HN 0.289 nan 8.210 nan 0.000 0.448 445 S N 6.736 122.461 115.700 0.042 0.000 2.437 445 S HA 0.591 5.067 4.470 0.009 0.000 0.305 445 S C -0.229 174.404 174.600 0.056 0.000 1.109 445 S CA -0.549 57.662 58.200 0.018 0.000 1.099 445 S CB 1.071 64.244 63.200 -0.044 0.000 1.004 445 S HN 0.338 nan 8.310 nan 0.000 0.475 446 I N 3.518 124.108 120.570 0.034 0.000 2.304 446 I HA 0.309 4.485 4.170 0.009 0.000 0.291 446 I C 0.611 176.654 176.117 -0.125 0.000 1.018 446 I CA -0.282 60.968 61.300 -0.083 0.000 1.260 446 I CB 1.069 39.081 38.000 0.020 0.000 1.390 446 I HN 0.579 nan 8.210 nan 0.000 0.475 447 T N 4.105 118.531 114.554 -0.213 0.000 2.856 447 T HA 0.641 4.996 4.350 0.009 0.000 0.283 447 T C -0.344 174.247 174.700 -0.181 0.000 1.008 447 T CA -0.948 61.047 62.100 -0.174 0.000 0.997 447 T CB 1.869 70.645 68.868 -0.153 0.000 0.992 447 T HN 0.538 nan 8.240 nan 0.000 0.454 448 R N 1.765 122.185 120.500 -0.133 0.000 2.686 448 R HA 0.431 4.776 4.340 0.009 0.000 0.286 448 R C -0.689 175.566 176.300 -0.075 0.000 0.969 448 R CA -0.789 55.247 56.100 -0.106 0.000 0.898 448 R CB 1.259 31.512 30.300 -0.079 0.000 1.183 448 R HN 0.868 nan 8.270 nan 0.000 0.456 449 D N 1.154 121.522 120.400 -0.054 0.000 2.945 449 D HA -0.193 4.453 4.640 0.009 0.000 0.225 449 D C -0.470 175.834 176.300 0.007 0.000 1.158 449 D CA 1.154 55.143 54.000 -0.018 0.000 0.805 449 D CB -0.763 40.035 40.800 -0.002 0.000 1.098 449 D HN 0.430 nan 8.370 nan 0.000 0.426 450 I N 0.645 121.207 120.570 -0.013 0.000 2.330 450 I HA 0.278 4.454 4.170 0.009 0.000 0.286 450 I C 1.704 177.826 176.117 0.009 0.000 1.025 450 I CA -0.070 61.242 61.300 0.020 0.000 1.197 450 I CB 1.616 39.620 38.000 0.008 0.000 1.358 450 I HN -0.004 nan 8.210 nan 0.000 0.467 451 G N 3.662 112.475 108.800 0.022 0.000 2.880 451 G HA2 0.063 4.028 3.960 0.009 0.000 0.209 451 G HA3 0.063 4.028 3.960 0.009 0.000 0.209 451 G C 0.371 175.276 174.900 0.009 0.000 1.157 451 G CA 0.134 45.240 45.100 0.009 0.000 0.779 451 G HN 0.514 nan 8.290 nan 0.000 0.539 452 S N 0.216 115.930 115.700 0.024 0.000 2.538 452 S HA 0.643 5.118 4.470 0.009 0.000 0.288 452 S C -1.103 173.516 174.600 0.032 0.000 1.108 452 S CA -0.578 57.637 58.200 0.025 0.000 0.971 452 S CB 2.216 65.436 63.200 0.033 0.000 1.041 452 S HN -0.006 nan 8.310 nan 0.000 0.483 453 I N 2.697 123.280 120.570 0.021 0.000 2.406 453 I HA 0.451 4.626 4.170 0.009 0.000 0.290 453 I C -0.500 175.677 176.117 0.101 0.000 0.999 453 I CA -0.837 60.470 61.300 0.012 0.000 1.124 453 I CB 1.489 39.409 38.000 -0.134 0.000 1.289 453 I HN 0.321 nan 8.210 nan 0.000 0.441 454 V N 5.732 125.696 119.914 0.084 0.000 2.398 454 V HA 0.527 4.653 4.120 0.009 0.000 0.286 454 V C 0.481 176.635 176.094 0.101 0.000 1.026 454 V CA -0.343 62.020 62.300 0.104 0.000 0.868 454 V CB 1.869 33.740 31.823 0.080 0.000 0.982 454 V HN 0.957 nan 8.190 nan 0.000 0.443 455 T N 1.891 116.541 114.554 0.161 0.000 2.940 455 T HA 0.651 5.006 4.350 0.009 0.000 0.288 455 T C -0.679 174.089 174.700 0.113 0.000 1.045 455 T CA -0.941 61.249 62.100 0.151 0.000 1.018 455 T CB 2.123 71.131 68.868 0.234 0.000 1.151 455 T HN 0.507 nan 8.240 nan 0.000 0.529 456 K N 1.135 121.600 120.400 0.109 0.000 2.483 456 K HA 0.395 4.721 4.320 0.009 0.000 0.256 456 K C -0.981 175.664 176.600 0.074 0.000 0.961 456 K CA -0.537 55.796 56.287 0.076 0.000 0.873 456 K CB 0.796 33.337 32.500 0.068 0.000 1.107 456 K HN 0.549 nan 8.250 nan 0.000 0.432 457 E N 3.910 124.137 120.200 0.045 0.000 2.207 457 E HA 0.351 4.707 4.350 0.009 0.000 0.270 457 E C -2.555 174.047 176.600 0.004 0.000 0.927 457 E CA -2.672 53.746 56.400 0.030 0.000 0.799 457 E CB 1.339 31.045 29.700 0.010 0.000 1.172 457 E HN 0.454 nan 8.360 nan 0.000 0.404 458 P HA 0.060 nan 4.420 nan 0.000 0.263 458 P C -0.038 177.227 177.300 -0.058 0.000 1.195 458 P CA 0.306 63.406 63.100 0.000 0.000 0.762 458 P CB 0.684 32.398 31.700 0.023 0.000 0.799 459 G N 2.579 111.331 108.800 -0.080 0.000 3.341 459 G HA2 0.472 4.437 3.960 0.009 0.000 0.177 459 G HA3 0.472 4.437 3.960 0.009 0.000 0.177 459 G C -0.672 174.105 174.900 -0.206 0.000 1.236 459 G CA -0.768 44.175 45.100 -0.261 0.000 0.888 459 G HN 0.310 nan 8.290 nan 0.000 0.644 460 F N 0.872 120.825 119.950 0.006 0.000 2.545 460 F HA 0.289 4.820 4.527 0.007 0.000 0.348 460 F C 1.145 176.919 175.800 -0.044 0.000 1.163 460 F CA 0.307 58.252 58.000 -0.090 0.000 1.331 460 F CB 0.313 39.219 39.000 -0.157 0.000 1.138 460 F HN 0.098 nan 8.300 nan 0.000 0.602 461 L N 3.768 124.879 121.223 -0.187 0.000 3.601 461 L HA -0.305 4.040 4.340 0.009 0.000 0.469 461 L C -0.702 176.091 176.870 -0.129 0.000 1.294 461 L CA 0.078 54.594 54.840 -0.540 0.000 0.829 461 L CB -1.392 40.683 42.059 0.027 0.000 1.628 461 L HN 0.886 nan 8.230 nan 0.000 0.868 462 W N -1.227 120.155 121.300 0.136 0.000 5.538 462 W HA -0.231 4.434 4.660 0.007 0.000 0.377 462 W C 1.179 177.731 176.519 0.055 0.000 1.406 462 W CA 1.094 58.484 57.345 0.076 0.000 0.940 462 W CB -2.216 27.279 29.460 0.058 0.000 2.536 462 W HN 0.955 nan 8.180 nan 0.000 1.504 463 G N -1.324 107.555 108.800 0.132 0.000 2.175 463 G HA2 -0.328 3.637 3.960 0.009 0.000 0.244 463 G HA3 -0.328 3.637 3.960 0.009 0.000 0.244 463 G C 0.726 175.660 174.900 0.057 0.000 0.982 463 G CA 0.524 45.677 45.100 0.088 0.000 0.641 463 G HN 0.472 nan 8.290 nan 0.000 0.527 464 L N -0.068 121.189 121.223 0.056 0.000 1.989 464 L HA 0.339 4.684 4.340 0.009 0.000 0.211 464 L C 1.340 178.055 176.870 -0.259 0.000 1.071 464 L CA 1.765 56.529 54.840 -0.128 0.000 0.749 464 L CB -0.423 41.514 42.059 -0.203 0.000 0.890 464 L HN 0.252 nan 8.230 nan 0.000 0.431 465 F N 0.065 120.040 119.950 0.041 0.000 2.403 465 F HA 0.465 5.000 4.527 0.012 0.000 0.326 465 F C 0.425 176.220 175.800 -0.007 0.000 1.081 465 F CA -0.800 57.222 58.000 0.038 0.000 1.041 465 F CB 0.644 39.697 39.000 0.090 0.000 1.234 465 F HN -0.265 nan 8.300 nan 0.000 0.503 466 K N 1.344 121.853 120.400 0.181 0.000 2.324 466 K HA 0.353 4.679 4.320 0.009 0.000 0.253 466 K C -1.465 175.160 176.600 0.042 0.000 0.932 466 K CA -0.792 55.537 56.287 0.071 0.000 0.799 466 K CB 1.886 34.420 32.500 0.057 0.000 1.154 466 K HN 0.489 nan 8.250 nan 0.000 0.425 467 D N 1.465 121.851 120.400 -0.023 0.000 2.168 467 D HA 0.204 4.850 4.640 0.009 0.000 0.246 467 D C -0.627 175.664 176.300 -0.014 0.000 1.050 467 D CA -0.199 53.773 54.000 -0.046 0.000 0.857 467 D CB 1.647 42.370 40.800 -0.129 0.000 1.169 467 D HN 0.249 nan 8.370 nan 0.000 0.453 468 D N 1.170 121.568 120.400 -0.005 0.000 2.280 468 D HA 0.247 4.893 4.640 0.009 0.000 0.243 468 D C -0.464 175.818 176.300 -0.030 0.000 1.129 468 D CA -0.251 53.752 54.000 0.005 0.000 0.848 468 D CB 2.173 42.988 40.800 0.024 0.000 1.107 468 D HN -0.014 nan 8.370 nan 0.000 0.471 469 V N 2.739 122.629 119.914 -0.041 0.000 2.444 469 V HA 0.224 4.349 4.120 0.009 0.000 0.294 469 V C 0.272 176.268 176.094 -0.163 0.000 1.022 469 V CA -0.613 61.597 62.300 -0.150 0.000 0.850 469 V CB 1.970 33.668 31.823 -0.209 0.000 0.992 469 V HN 0.460 nan 8.190 nan 0.000 0.426 470 T N 4.564 119.011 114.554 -0.179 0.000 2.733 470 T HA 0.467 4.823 4.350 0.009 0.000 0.294 470 T C -0.447 174.136 174.700 -0.194 0.000 0.956 470 T CA -0.246 61.789 62.100 -0.108 0.000 0.987 470 T CB 0.036 68.875 68.868 -0.048 0.000 0.920 470 T HN 0.681 nan 8.240 nan 0.000 0.470 471 H N 0.720 119.740 119.070 -0.082 0.000 2.467 471 H HA 0.518 5.079 4.556 0.008 0.000 0.331 471 H C 0.165 175.429 175.328 -0.106 0.000 1.120 471 H CA -0.460 55.518 56.048 -0.117 0.000 1.270 471 H CB 0.885 30.534 29.762 -0.187 0.000 1.466 471 H HN 0.428 nan 8.280 nan 0.000 0.504 472 S N 1.749 117.456 115.700 0.011 0.000 2.499 472 S HA 0.237 4.712 4.470 0.009 0.000 0.279 472 S C -0.096 174.480 174.600 -0.039 0.000 1.219 472 S CA -0.934 57.257 58.200 -0.016 0.000 1.062 472 S CB 0.999 64.184 63.200 -0.024 0.000 0.978 472 S HN 0.329 nan 8.310 nan 0.000 0.489 473 V N 4.376 124.271 119.914 -0.032 0.000 2.439 473 V HA 0.372 4.497 4.120 0.009 0.000 0.271 473 V C 0.865 176.964 176.094 0.008 0.000 1.040 473 V CA -0.171 62.118 62.300 -0.018 0.000 1.002 473 V CB 0.079 31.900 31.823 -0.004 0.000 1.000 473 V HN 1.064 nan 8.190 nan 0.000 0.477 474 T N 1.959 116.525 114.554 0.020 0.000 2.888 474 T HA 0.694 5.050 4.350 0.009 0.000 0.288 474 T C 1.107 175.873 174.700 0.110 0.000 1.063 474 T CA -0.072 62.043 62.100 0.024 0.000 1.010 474 T CB 2.015 70.867 68.868 -0.027 0.000 1.214 474 T HN 0.530 nan 8.240 nan 0.000 0.533 475 A N 0.875 123.745 122.820 0.082 0.000 1.972 475 A HA 0.029 4.354 4.320 0.009 0.000 0.219 475 A C 2.249 179.936 177.584 0.172 0.000 1.169 475 A CA 2.015 54.128 52.037 0.127 0.000 0.635 475 A CB -1.249 17.785 19.000 0.058 0.000 0.810 475 A HN 1.162 nan 8.150 nan 0.000 0.446 476 S N -2.144 113.574 115.700 0.030 0.000 2.556 476 S HA 0.506 4.982 4.470 0.009 0.000 0.216 476 S C 0.845 175.256 174.600 -0.315 0.000 0.970 476 S CA 0.462 58.628 58.200 -0.056 0.000 0.912 476 S CB 0.030 63.196 63.200 -0.056 0.000 0.790 476 S HN 1.664 nan 8.310 nan 0.000 0.504 477 G N 0.816 109.273 108.800 -0.573 0.000 2.340 477 G HA2 0.203 4.169 3.960 0.009 0.000 0.282 477 G HA3 0.203 4.169 3.960 0.009 0.000 0.282 477 G C -1.804 172.733 174.900 -0.605 0.000 1.312 477 G CA -1.158 43.284 45.100 -1.097 0.000 0.942 477 G HN 0.248 nan 8.290 nan 0.000 0.495 478 L N 0.595 121.492 121.223 -0.543 0.000 2.292 478 L HA 0.643 4.989 4.340 0.009 0.000 0.284 478 L C 0.348 177.117 176.870 -0.168 0.000 1.065 478 L CA -0.534 54.101 54.840 -0.343 0.000 0.806 478 L CB 1.549 43.276 42.059 -0.554 0.000 1.175 478 L HN 0.532 nan 8.230 nan 0.000 0.431 479 K N 2.765 123.121 120.400 -0.074 0.000 2.376 479 K HA 0.623 4.948 4.320 0.009 0.000 0.257 479 K C -1.484 175.092 176.600 -0.039 0.000 0.939 479 K CA -0.576 55.681 56.287 -0.051 0.000 0.809 479 K CB 2.049 34.508 32.500 -0.067 0.000 1.121 479 K HN 0.393 nan 8.250 nan 0.000 0.425 480 V N 3.561 123.435 119.914 -0.065 0.000 2.357 480 V HA 0.472 4.598 4.120 0.009 0.000 0.281 480 V C 0.764 176.804 176.094 -0.091 0.000 1.015 480 V CA -0.213 62.009 62.300 -0.131 0.000 0.827 480 V CB 0.220 31.893 31.823 -0.251 0.000 1.018 480 V HN 1.148 nan 8.190 nan 0.000 0.432 481 G N 5.078 113.835 108.800 -0.072 0.000 2.596 481 G HA2 -0.345 3.620 3.960 0.009 0.000 0.304 481 G HA3 -0.345 3.620 3.960 0.009 0.000 0.304 481 G C 1.192 176.064 174.900 -0.047 0.000 1.189 481 G CA 1.137 46.205 45.100 -0.055 0.000 0.986 481 G HN 1.620 nan 8.290 nan 0.000 0.548 482 S N 0.660 116.336 115.700 -0.042 0.000 2.527 482 S HA 0.154 4.629 4.470 0.009 0.000 0.222 482 S C 0.747 175.325 174.600 -0.037 0.000 0.985 482 S CA 0.873 59.051 58.200 -0.036 0.000 0.921 482 S CB -0.013 63.170 63.200 -0.029 0.000 0.772 482 S HN 0.622 nan 8.310 nan 0.000 0.529 483 N N 2.037 120.713 118.700 -0.040 0.000 2.422 483 N HA 0.357 5.102 4.740 0.009 0.000 0.264 483 N C -1.308 174.181 175.510 -0.035 0.000 1.063 483 N CA -0.101 52.929 53.050 -0.032 0.000 0.959 483 N CB 1.825 40.297 38.487 -0.025 0.000 1.087 483 N HN 0.077 nan 8.380 nan 0.000 0.483 484 V N 2.297 122.182 119.914 -0.048 0.000 2.384 484 V HA 0.241 4.367 4.120 0.009 0.000 0.287 484 V C 0.319 176.355 176.094 -0.097 0.000 1.020 484 V CA -0.638 61.611 62.300 -0.085 0.000 0.850 484 V CB 1.555 33.318 31.823 -0.100 0.000 0.987 484 V HN 0.528 nan 8.190 nan 0.000 0.436 485 T N 4.869 119.336 114.554 -0.144 0.000 2.727 485 T HA 0.255 4.611 4.350 0.009 0.000 0.298 485 T C 0.047 174.587 174.700 -0.266 0.000 0.942 485 T CA -0.120 61.880 62.100 -0.166 0.000 0.997 485 T CB 0.700 69.434 68.868 -0.224 0.000 0.917 485 T HN 0.670 nan 8.240 nan 0.000 0.487 486 Q N 2.227 121.920 119.800 -0.177 0.000 2.361 486 Q HA 0.148 4.493 4.340 0.009 0.000 0.276 486 Q C -0.658 175.251 176.000 -0.153 0.000 1.022 486 Q CA 0.280 55.970 55.803 -0.189 0.000 0.898 486 Q CB 0.257 28.952 28.738 -0.072 0.000 1.246 486 Q HN 0.519 nan 8.270 nan 0.000 0.410 487 Y N 1.261 121.545 120.300 -0.028 0.000 2.379 487 Y HA 0.050 4.606 4.550 0.009 0.000 0.337 487 Y C 0.404 176.266 175.900 -0.063 0.000 1.238 487 Y CA -0.484 57.592 58.100 -0.039 0.000 1.405 487 Y CB 0.331 38.755 38.460 -0.059 0.000 1.310 487 Y HN 0.616 nan 8.280 nan 0.000 0.569 488 D N 0.626 121.057 120.400 0.052 0.000 2.423 488 D HA 0.309 4.954 4.640 0.009 0.000 0.238 488 D C -0.325 175.970 176.300 -0.008 0.000 1.142 488 D CA 0.283 54.267 54.000 -0.027 0.000 0.884 488 D CB 0.554 41.302 40.800 -0.086 0.000 1.199 488 D HN 0.710 nan 8.370 nan 0.000 0.438 489 A N 1.904 124.733 122.820 0.016 0.000 2.565 489 A HA 0.317 4.643 4.320 0.009 0.000 0.237 489 A C 0.137 177.728 177.584 0.012 0.000 1.053 489 A CA 0.452 52.479 52.037 -0.016 0.000 0.755 489 A CB 0.190 19.140 19.000 -0.083 0.000 0.980 489 A HN 0.347 nan 8.150 nan 0.000 0.506 490 S N 0.206 115.913 115.700 0.011 0.000 2.549 490 S HA 0.598 5.074 4.470 0.009 0.000 0.280 490 S C -0.813 173.814 174.600 0.044 0.000 1.109 490 S CA -0.498 57.730 58.200 0.047 0.000 0.905 490 S CB 1.780 65.085 63.200 0.176 0.000 1.081 490 S HN 0.719 nan 8.310 nan 0.000 0.477 491 V N 3.294 123.219 119.914 0.018 0.000 2.409 491 V HA 0.488 4.613 4.120 0.009 0.000 0.291 491 V C -0.515 175.643 176.094 0.106 0.000 1.020 491 V CA -0.779 61.559 62.300 0.063 0.000 0.848 491 V CB 1.486 33.333 31.823 0.040 0.000 0.990 491 V HN 0.706 nan 8.190 nan 0.000 0.430 492 K N 2.926 123.424 120.400 0.163 0.000 2.213 492 K HA 0.651 4.976 4.320 0.009 0.000 0.270 492 K C 0.688 177.370 176.600 0.137 0.000 1.002 492 K CA -0.062 56.351 56.287 0.210 0.000 0.868 492 K CB 1.831 34.444 32.500 0.188 0.000 1.093 492 K HN 0.857 nan 8.250 nan 0.000 0.454 493 G N 0.777 109.664 108.800 0.144 0.000 2.546 493 G HA2 0.313 4.279 3.960 0.009 0.000 0.239 493 G HA3 0.313 4.279 3.960 0.009 0.000 0.239 493 G C -0.300 174.656 174.900 0.094 0.000 1.476 493 G CA -0.103 45.062 45.100 0.108 0.000 1.064 493 G HN 0.612 nan 8.290 nan 0.000 0.561 494 T N -4.195 110.410 114.554 0.084 0.000 2.838 494 T HA 0.316 4.671 4.350 0.009 0.000 0.292 494 T C 0.383 175.126 174.700 0.071 0.000 1.113 494 T CA -0.671 61.470 62.100 0.068 0.000 1.008 494 T CB 1.473 70.375 68.868 0.057 0.000 1.259 494 T HN 0.304 nan 8.240 nan 0.000 0.520 495 N N -0.357 118.380 118.700 0.060 0.000 2.515 495 N HA 0.250 4.996 4.740 0.009 0.000 0.191 495 N C 0.878 176.425 175.510 0.061 0.000 1.182 495 N CA 0.045 53.132 53.050 0.062 0.000 0.879 495 N CB 0.074 38.592 38.487 0.051 0.000 0.984 495 N HN 0.751 nan 8.380 nan 0.000 0.453 496 G N -0.388 108.448 108.800 0.060 0.000 2.705 496 G HA2 0.656 4.622 3.960 0.009 0.000 0.299 496 G HA3 0.656 4.622 3.960 0.009 0.000 0.299 496 G C -0.819 174.121 174.900 0.067 0.000 1.315 496 G CA -0.649 44.485 45.100 0.057 0.000 1.045 496 G HN 0.146 nan 8.290 nan 0.000 0.517 497 A N 0.153 123.011 122.820 0.064 0.000 2.450 497 A HA 0.536 4.862 4.320 0.009 0.000 0.255 497 A C -0.439 177.191 177.584 0.077 0.000 1.096 497 A CA -0.107 51.974 52.037 0.073 0.000 0.778 497 A CB 0.114 19.154 19.000 0.066 0.000 1.031 497 A HN 0.514 nan 8.150 nan 0.000 0.494 498 D N 1.158 121.613 120.400 0.091 0.000 2.601 498 D HA 0.501 5.147 4.640 0.009 0.000 0.230 498 D C -0.922 175.442 176.300 0.106 0.000 1.106 498 D CA -0.107 53.946 54.000 0.088 0.000 0.873 498 D CB 2.010 42.861 40.800 0.085 0.000 1.515 498 D HN 0.390 nan 8.370 nan 0.000 0.468 499 T N 1.336 115.939 114.554 0.083 0.000 2.779 499 T HA 0.552 4.907 4.350 0.009 0.000 0.280 499 T C -0.036 174.671 174.700 0.012 0.000 0.987 499 T CA -0.560 61.577 62.100 0.062 0.000 0.966 499 T CB 0.714 69.619 68.868 0.062 0.000 0.933 499 T HN 0.102 nan 8.240 nan 0.000 0.442 500 L N 3.405 124.618 121.223 -0.017 0.000 2.381 500 L HA 0.567 4.913 4.340 0.009 0.000 0.274 500 L C -0.167 176.654 176.870 -0.082 0.000 0.988 500 L CA -0.962 53.859 54.840 -0.031 0.000 0.824 500 L CB 2.061 44.115 42.059 -0.008 0.000 1.263 500 L HN 0.381 nan 8.230 nan 0.000 0.410 501 K N 2.348 122.690 120.400 -0.096 0.000 2.274 501 K HA 0.710 5.036 4.320 0.009 0.000 0.262 501 K C -0.409 176.108 176.600 -0.139 0.000 0.961 501 K CA -0.547 55.662 56.287 -0.129 0.000 0.833 501 K CB 2.527 34.941 32.500 -0.143 0.000 1.102 501 K HN 0.669 nan 8.250 nan 0.000 0.436 502 A N 2.824 125.565 122.820 -0.133 0.000 2.388 502 A HA 0.253 4.578 4.320 0.009 0.000 0.257 502 A C -0.570 176.974 177.584 -0.067 0.000 1.095 502 A CA -0.350 51.639 52.037 -0.080 0.000 0.791 502 A CB -0.053 18.846 19.000 -0.169 0.000 1.029 502 A HN 0.702 nan 8.150 nan 0.000 0.489 503 H N 0.748 119.766 119.070 -0.086 0.000 2.603 503 H HA 0.405 4.966 4.556 0.009 0.000 0.370 503 H C 1.399 176.688 175.328 -0.064 0.000 1.225 503 H CA 0.279 56.291 56.048 -0.060 0.000 1.410 503 H CB 0.679 30.414 29.762 -0.045 0.000 1.495 503 H HN 0.693 nan 8.280 nan 0.000 0.602 504 A N 1.338 124.203 122.820 0.076 0.000 2.121 504 A HA -0.053 4.273 4.320 0.009 0.000 0.218 504 A C 2.362 179.950 177.584 0.007 0.000 1.154 504 A CA 1.429 53.477 52.037 0.020 0.000 0.679 504 A CB -1.008 17.998 19.000 0.011 0.000 0.795 504 A HN 0.824 nan 8.150 nan 0.000 0.458 505 G N -1.106 107.705 108.800 0.018 0.000 2.650 505 G HA2 0.413 4.378 3.960 0.009 0.000 0.214 505 G HA3 0.413 4.378 3.960 0.009 0.000 0.214 505 G C 0.838 175.719 174.900 -0.032 0.000 1.136 505 G CA 0.642 45.737 45.100 -0.010 0.000 0.789 505 G HN 1.670 nan 8.290 nan 0.000 0.536 506 G N -0.593 108.181 108.800 -0.044 0.000 3.069 506 G HA2 0.133 4.098 3.960 0.009 0.000 0.686 506 G HA3 0.133 4.098 3.960 0.009 0.000 0.686 506 G C -1.561 173.284 174.900 -0.092 0.000 1.161 506 G CA -0.460 44.582 45.100 -0.097 0.000 0.804 506 G HN 0.177 nan 8.290 nan 0.000 0.608 507 D N 0.074 120.372 120.400 -0.170 0.000 2.581 507 D HA 0.530 5.175 4.640 0.009 0.000 0.232 507 D C -0.626 175.502 176.300 -0.287 0.000 1.143 507 D CA -0.330 53.588 54.000 -0.136 0.000 0.881 507 D CB 1.305 42.037 40.800 -0.113 0.000 1.500 507 D HN 0.351 nan 8.370 nan 0.000 0.458 508 W N 1.413 122.436 121.300 -0.463 0.000 2.335 508 W HA 0.393 5.058 4.660 0.008 0.000 0.306 508 W C -0.011 175.965 176.519 -0.904 0.000 1.216 508 W CA -0.328 56.571 57.345 -0.744 0.000 1.237 508 W CB 0.377 29.395 29.460 -0.738 0.000 1.243 508 W HN 0.014 nan 8.180 nan 0.000 0.493 509 L N 5.418 126.160 121.223 -0.802 0.000 2.277 509 L HA 0.385 4.731 4.340 0.009 0.000 0.284 509 L C -0.887 175.669 176.870 -0.524 0.000 1.028 509 L CA -0.804 53.687 54.840 -0.582 0.000 0.835 509 L CB 0.214 41.960 42.059 -0.522 0.000 1.215 509 L HN 0.175 nan 8.230 nan 0.000 0.425 510 F N 1.662 121.608 119.950 -0.007 0.000 2.303 510 F HA 0.327 4.859 4.527 0.009 0.000 0.368 510 F C 1.384 177.212 175.800 0.047 0.000 1.105 510 F CA -0.775 57.242 58.000 0.029 0.000 1.153 510 F CB 1.119 40.154 39.000 0.058 0.000 1.362 510 F HN 0.506 nan 8.300 nan 0.000 0.511 511 G N 3.017 111.941 108.800 0.207 0.000 2.402 511 G HA2 0.014 3.979 3.960 0.009 0.000 0.216 511 G HA3 0.014 3.979 3.960 0.009 0.000 0.216 511 G C 0.804 175.804 174.900 0.167 0.000 1.162 511 G CA 0.444 45.643 45.100 0.166 0.000 0.777 511 G HN 0.630 nan 8.290 nan 0.000 0.539 512 L N -1.158 120.176 121.223 0.185 0.000 7.734 512 L HA -0.207 4.139 4.340 0.009 0.000 0.095 512 L C -0.268 176.680 176.870 0.131 0.000 1.227 512 L CA 0.695 55.623 54.840 0.147 0.000 1.430 512 L CB -1.153 40.975 42.059 0.116 0.000 2.866 512 L HN 0.129 nan 8.230 nan 0.000 1.178 513 D N 0.622 121.086 120.400 0.106 0.000 2.363 513 D HA 0.473 5.118 4.640 0.009 0.000 0.240 513 D C 0.634 176.992 176.300 0.097 0.000 1.236 513 D CA 1.186 55.246 54.000 0.099 0.000 0.927 513 D CB 0.503 41.350 40.800 0.080 0.000 1.150 513 D HN 1.051 nan 8.370 nan 0.000 0.458 514 G N 0.296 109.150 108.800 0.091 0.000 2.707 514 G HA2 -0.178 3.787 3.960 0.009 0.000 0.686 514 G HA3 -0.178 3.787 3.960 0.009 0.000 0.686 514 G C -0.834 174.125 174.900 0.098 0.000 1.315 514 G CA -0.915 44.235 45.100 0.084 0.000 0.832 514 G HN 0.461 nan 8.290 nan 0.000 0.573 515 N N 2.001 120.754 118.700 0.088 0.000 2.437 515 N HA 0.400 5.145 4.740 0.009 0.000 0.243 515 N C -0.624 174.950 175.510 0.106 0.000 1.041 515 N CA -0.213 52.894 53.050 0.095 0.000 0.940 515 N CB 0.999 39.529 38.487 0.073 0.000 1.133 515 N HN 0.515 nan 8.380 nan 0.000 0.506 516 D N -0.137 120.342 120.400 0.133 0.000 2.272 516 D HA 0.113 4.759 4.640 0.009 0.000 0.247 516 D C -0.330 176.095 176.300 0.208 0.000 0.990 516 D CA -0.191 53.902 54.000 0.155 0.000 0.931 516 D CB 1.694 42.584 40.800 0.151 0.000 1.195 516 D HN 0.453 nan 8.370 nan 0.000 0.477 517 H N 1.317 120.440 119.070 0.088 0.000 2.623 517 H HA 0.324 4.885 4.556 0.009 0.000 0.299 517 H C -1.042 174.351 175.328 0.108 0.000 1.052 517 H CA -0.868 55.234 56.048 0.091 0.000 1.231 517 H CB 0.564 30.367 29.762 0.069 0.000 1.389 517 H HN -0.021 nan 8.280 nan 0.000 0.469 518 L N 7.326 128.684 121.223 0.224 0.000 2.276 518 L HA 0.306 4.651 4.340 0.009 0.000 0.286 518 L C -0.363 176.618 176.870 0.185 0.000 1.024 518 L CA -0.191 54.754 54.840 0.175 0.000 0.826 518 L CB 1.124 43.390 42.059 0.345 0.000 1.211 518 L HN 0.593 nan 8.230 nan 0.000 0.422 519 I N 3.186 123.747 120.570 -0.015 0.000 2.307 519 I HA 0.406 4.581 4.170 0.009 0.000 0.289 519 I C 1.073 177.224 176.117 0.055 0.000 1.021 519 I CA -0.372 60.921 61.300 -0.011 0.000 1.224 519 I CB 1.117 39.009 38.000 -0.180 0.000 1.376 519 I HN 0.652 nan 8.210 nan 0.000 0.470 520 G N 3.907 112.851 108.800 0.241 0.000 2.634 520 G HA2 0.543 4.508 3.960 0.009 0.000 0.255 520 G HA3 0.543 4.508 3.960 0.009 0.000 0.255 520 G C 0.153 175.074 174.900 0.035 0.000 1.205 520 G CA -0.180 44.999 45.100 0.132 0.000 0.884 520 G HN 0.706 nan 8.290 nan 0.000 0.549 521 G N -2.088 106.696 108.800 -0.027 0.000 2.938 521 G HA2 0.481 4.447 3.960 0.009 0.000 0.258 521 G HA3 0.481 4.447 3.960 0.009 0.000 0.258 521 G C 1.126 176.020 174.900 -0.010 0.000 1.356 521 G CA 0.304 45.391 45.100 -0.021 0.000 1.052 521 G HN 1.172 nan 8.290 nan 0.000 0.550 522 V N -1.604 118.302 119.914 -0.013 0.000 2.913 522 V HA 0.228 4.354 4.120 0.009 0.000 0.260 522 V C 1.488 177.566 176.094 -0.027 0.000 1.098 522 V CA 0.967 63.260 62.300 -0.013 0.000 1.121 522 V CB -1.388 30.429 31.823 -0.011 0.000 0.714 522 V HN 0.728 nan 8.190 nan 0.000 0.487 523 G N 0.562 109.338 108.800 -0.040 0.000 2.621 523 G HA2 0.245 4.211 3.960 0.009 0.000 0.271 523 G HA3 0.245 4.211 3.960 0.009 0.000 0.271 523 G C -0.404 174.443 174.900 -0.087 0.000 1.236 523 G CA -0.672 44.394 45.100 -0.057 0.000 0.958 523 G HN 0.407 nan 8.290 nan 0.000 0.512 524 N N 1.424 120.062 118.700 -0.103 0.000 2.439 524 N HA 0.209 4.955 4.740 0.009 0.000 0.243 524 N C -0.621 174.748 175.510 -0.235 0.000 1.088 524 N CA 0.013 52.977 53.050 -0.144 0.000 0.940 524 N CB 0.904 39.323 38.487 -0.114 0.000 1.180 524 N HN 0.350 nan 8.380 nan 0.000 0.505 525 D N 0.425 120.628 120.400 -0.327 0.000 2.268 525 D HA 0.364 5.010 4.640 0.009 0.000 0.249 525 D C -0.170 175.683 176.300 -0.745 0.000 1.008 525 D CA -0.384 53.271 54.000 -0.575 0.000 0.939 525 D CB 2.311 42.629 40.800 -0.803 0.000 1.170 525 D HN 0.002 nan 8.370 nan 0.000 0.468 526 V N 2.015 121.307 119.914 -1.036 0.000 2.407 526 V HA 0.293 4.419 4.120 0.009 0.000 0.291 526 V C -0.641 174.801 176.094 -1.086 0.000 1.018 526 V CA -0.711 60.870 62.300 -1.198 0.000 0.842 526 V CB 0.678 31.224 31.823 -2.128 0.000 0.996 526 V HN 0.344 nan 8.190 nan 0.000 0.426 527 F N 3.772 123.190 119.950 -0.887 0.000 2.410 527 F HA 0.595 5.127 4.527 0.009 0.000 0.349 527 F C 0.236 175.713 175.800 -0.538 0.000 1.117 527 F CA -0.668 56.944 58.000 -0.648 0.000 1.104 527 F CB 1.859 40.502 39.000 -0.595 0.000 1.122 527 F HN 0.203 nan 8.300 nan 0.000 0.483 528 V N 3.649 123.437 119.914 -0.210 0.000 2.383 528 V HA 0.221 4.347 4.120 0.009 0.000 0.264 528 V C 0.921 177.041 176.094 0.044 0.000 1.001 528 V CA -0.530 61.708 62.300 -0.104 0.000 0.828 528 V CB 0.665 32.534 31.823 0.076 0.000 1.069 528 V HN 1.045 nan 8.190 nan 0.000 0.451 529 G N 2.272 111.092 108.800 0.032 0.000 2.503 529 G HA2 0.203 4.168 3.960 0.009 0.000 0.221 529 G HA3 0.203 4.168 3.960 0.009 0.000 0.221 529 G C 0.977 175.982 174.900 0.174 0.000 1.131 529 G CA 1.186 46.368 45.100 0.136 0.000 0.756 529 G HN 1.526 nan 8.290 nan 0.000 0.572 530 G N -0.983 107.927 108.800 0.183 0.000 2.681 530 G HA2 0.310 4.275 3.960 0.009 0.000 0.220 530 G HA3 0.310 4.275 3.960 0.009 0.000 0.220 530 G C 0.346 175.388 174.900 0.236 0.000 1.353 530 G CA 0.127 45.353 45.100 0.209 0.000 0.872 530 G HN 1.521 nan 8.290 nan 0.000 0.557 531 A N -0.464 122.475 122.820 0.199 0.000 2.448 531 A HA 0.810 5.136 4.320 0.009 0.000 0.239 531 A C 1.878 179.558 177.584 0.160 0.000 1.080 531 A CA 2.250 54.393 52.037 0.177 0.000 0.779 531 A CB -0.257 18.822 19.000 0.132 0.000 1.026 531 A HN 3.028 nan 8.150 nan 0.000 0.499 532 G N 0.573 109.456 108.800 0.138 0.000 2.757 532 G HA2 -0.108 3.858 3.960 0.009 0.000 0.638 532 G HA3 -0.108 3.858 3.960 0.009 0.000 0.638 532 G C -0.716 174.273 174.900 0.148 0.000 1.344 532 G CA -0.285 44.887 45.100 0.121 0.000 0.855 532 G HN 1.088 nan 8.290 nan 0.000 0.537 533 N N 1.984 120.758 118.700 0.123 0.000 2.457 533 N HA 0.423 5.169 4.740 0.009 0.000 0.250 533 N C -1.060 174.530 175.510 0.133 0.000 0.982 533 N CA -0.293 52.835 53.050 0.130 0.000 0.941 533 N CB 1.311 39.851 38.487 0.088 0.000 1.120 533 N HN 0.540 nan 8.380 nan 0.000 0.505 534 D N 1.530 122.032 120.400 0.170 0.000 2.362 534 D HA 0.249 4.894 4.640 0.009 0.000 0.247 534 D C -0.299 176.093 176.300 0.154 0.000 1.050 534 D CA -0.502 53.600 54.000 0.171 0.000 0.839 534 D CB 2.647 43.568 40.800 0.203 0.000 1.283 534 D HN 0.215 nan 8.370 nan 0.000 0.477 535 L N 1.974 123.285 121.223 0.148 0.000 2.287 535 L HA 0.470 4.816 4.340 0.009 0.000 0.287 535 L C -1.089 175.923 176.870 0.237 0.000 1.022 535 L CA -0.142 54.779 54.840 0.134 0.000 0.814 535 L CB 0.912 42.985 42.059 0.024 0.000 1.217 535 L HN 0.318 nan 8.230 nan 0.000 0.420 536 M N 5.184 124.869 119.600 0.141 0.000 2.106 536 M HA 0.425 4.911 4.480 0.009 0.000 0.288 536 M C -1.047 175.228 176.300 -0.042 0.000 0.941 536 M CA -0.362 54.982 55.300 0.073 0.000 0.934 536 M CB 1.751 34.335 32.600 -0.027 0.000 1.551 536 M HN 0.532 nan 8.290 nan 0.000 0.437 537 E N 1.114 121.366 120.200 0.086 0.000 2.156 537 E HA 0.290 4.646 4.350 0.009 0.000 0.279 537 E C 0.415 177.117 176.600 0.169 0.000 0.965 537 E CA -0.417 56.038 56.400 0.093 0.000 0.789 537 E CB 2.196 31.983 29.700 0.146 0.000 1.098 537 E HN 0.649 nan 8.360 nan 0.000 0.397 538 S N 3.455 119.251 115.700 0.160 0.000 2.365 538 S HA -0.173 4.303 4.470 0.009 0.000 0.221 538 S C 1.648 176.389 174.600 0.234 0.000 1.037 538 S CA 2.174 60.540 58.200 0.276 0.000 1.060 538 S CB -0.602 62.726 63.200 0.213 0.000 0.974 538 S HN 1.026 nan 8.310 nan 0.000 0.427 539 G N -0.369 108.511 108.800 0.133 0.000 2.176 539 G HA2 0.173 4.138 3.960 0.009 0.000 0.253 539 G HA3 0.173 4.138 3.960 0.009 0.000 0.253 539 G C 1.388 176.316 174.900 0.046 0.000 0.979 539 G CA 0.476 45.625 45.100 0.081 0.000 0.641 539 G HN 1.917 nan 8.290 nan 0.000 0.530 540 G N -1.696 107.131 108.800 0.045 0.000 2.498 540 G HA2 0.550 4.516 3.960 0.009 0.000 0.651 540 G HA3 0.550 4.516 3.960 0.009 0.000 0.651 540 G C 0.981 175.880 174.900 -0.002 0.000 1.284 540 G CA 1.032 46.139 45.100 0.012 0.000 0.950 540 G HN 2.642 nan 8.290 nan 0.000 0.511 541 G N -1.475 107.311 108.800 -0.024 0.000 2.796 541 G HA2 0.457 4.422 3.960 0.009 0.000 0.571 541 G HA3 0.457 4.422 3.960 0.009 0.000 0.571 541 G C 0.325 175.191 174.900 -0.058 0.000 1.370 541 G CA 0.874 45.948 45.100 -0.042 0.000 0.856 541 G HN 2.627 nan 8.290 nan 0.000 0.538 542 A N 0.798 123.573 122.820 -0.074 0.000 2.341 542 A HA 0.630 4.956 4.320 0.009 0.000 0.326 542 A C -0.154 177.363 177.584 -0.112 0.000 1.402 542 A CA -0.145 51.837 52.037 -0.092 0.000 0.957 542 A CB 0.351 19.301 19.000 -0.083 0.000 1.151 542 A HN 0.592 nan 8.150 nan 0.000 0.533 543 D N 1.182 121.520 120.400 -0.103 0.000 2.217 543 D HA 0.590 5.235 4.640 0.009 0.000 0.248 543 D C -0.275 175.918 176.300 -0.178 0.000 1.008 543 D CA 0.281 54.188 54.000 -0.156 0.000 0.914 543 D CB 1.734 42.491 40.800 -0.073 0.000 1.182 543 D HN 0.352 nan 8.370 nan 0.000 0.451 544 T N 1.188 115.526 114.554 -0.360 0.000 2.812 544 T HA 0.487 4.842 4.350 0.009 0.000 0.282 544 T C -0.581 173.811 174.700 -0.513 0.000 0.990 544 T CA -0.507 61.410 62.100 -0.305 0.000 0.960 544 T CB 0.366 69.027 68.868 -0.345 0.000 0.948 544 T HN 0.085 nan 8.240 nan 0.000 0.438 545 F N 2.939 122.784 119.950 -0.175 0.000 2.402 545 F HA 0.573 5.105 4.527 0.009 0.000 0.355 545 F C -0.213 175.152 175.800 -0.725 0.000 1.123 545 F CA -1.157 56.605 58.000 -0.396 0.000 1.021 545 F CB 1.186 40.000 39.000 -0.309 0.000 1.160 545 F HN 0.249 nan 8.300 nan 0.000 0.451 546 L N 4.970 125.761 121.223 -0.719 0.000 2.295 546 L HA 0.635 4.981 4.340 0.009 0.000 0.285 546 L C -1.478 174.819 176.870 -0.953 0.000 1.035 546 L CA -0.718 53.747 54.840 -0.625 0.000 0.806 546 L CB 0.471 42.327 42.059 -0.340 0.000 1.214 546 L HN 0.369 nan 8.230 nan 0.000 0.426 547 F N 4.985 124.658 119.950 -0.462 0.000 2.507 547 F HA 0.512 5.044 4.527 0.009 0.000 0.328 547 F C 0.134 175.824 175.800 -0.184 0.000 1.136 547 F CA -0.596 57.080 58.000 -0.540 0.000 0.930 547 F CB 1.487 39.684 39.000 -1.339 0.000 1.166 547 F HN 0.551 nan 8.300 nan 0.000 0.436 548 N N 1.819 120.656 118.700 0.229 0.000 2.277 548 N HA 0.581 5.327 4.740 0.009 0.000 0.286 548 N C 0.102 175.844 175.510 0.386 0.000 1.140 548 N CA 0.323 53.551 53.050 0.297 0.000 0.799 548 N CB 2.399 41.036 38.487 0.249 0.000 1.596 548 N HN 0.840 nan 8.380 nan 0.000 0.473 549 G N 1.563 110.568 108.800 0.341 0.000 2.575 549 G HA2 -0.216 3.749 3.960 0.009 0.000 0.267 549 G HA3 -0.216 3.749 3.960 0.009 0.000 0.267 549 G C -0.068 174.997 174.900 0.274 0.000 1.264 549 G CA 0.067 45.334 45.100 0.278 0.000 0.935 549 G HN 1.031 nan 8.290 nan 0.000 0.568 550 A N 0.121 123.041 122.820 0.167 0.000 2.990 550 A HA 0.575 4.901 4.320 0.009 0.000 0.282 550 A C 0.948 178.579 177.584 0.079 0.000 1.688 550 A CA 0.813 52.880 52.037 0.050 0.000 1.391 550 A CB -1.140 17.883 19.000 0.039 0.000 1.112 550 A HN 1.743 nan 8.150 nan 0.000 0.588 551 F N 0.656 120.717 119.950 0.186 0.000 2.802 551 F HA 0.431 4.964 4.527 0.009 0.000 0.300 551 F C 0.957 176.879 175.800 0.202 0.000 1.168 551 F CA 0.025 58.157 58.000 0.221 0.000 1.433 551 F CB -0.659 38.537 39.000 0.326 0.000 1.115 551 F HN 0.741 nan 8.300 nan 0.000 0.582 552 G N 1.063 109.795 108.800 -0.114 0.000 2.681 552 G HA2 -0.151 3.814 3.960 0.009 0.000 0.220 552 G HA3 -0.151 3.814 3.960 0.009 0.000 0.220 552 G C -1.119 173.795 174.900 0.024 0.000 1.353 552 G CA -0.414 44.685 45.100 -0.000 0.000 0.872 552 G HN 0.431 nan 8.290 nan 0.000 0.557 553 Q N 1.387 121.240 119.800 0.089 0.000 2.398 553 Q HA 0.504 4.850 4.340 0.009 0.000 0.251 553 Q C -0.923 175.175 176.000 0.163 0.000 0.999 553 Q CA -0.380 55.489 55.803 0.110 0.000 0.874 553 Q CB 1.539 30.309 28.738 0.053 0.000 1.215 553 Q HN 0.576 nan 8.270 nan 0.000 0.470 554 D N 1.563 122.099 120.400 0.226 0.000 2.269 554 D HA 0.461 5.107 4.640 0.009 0.000 0.244 554 D C -0.261 176.107 176.300 0.114 0.000 0.992 554 D CA -0.590 53.541 54.000 0.219 0.000 0.894 554 D CB 1.802 42.826 40.800 0.374 0.000 1.248 554 D HN 0.172 nan 8.370 nan 0.000 0.468 555 R N 0.390 120.936 120.500 0.077 0.000 2.437 555 R HA 0.568 4.914 4.340 0.009 0.000 0.310 555 R C -1.075 175.204 176.300 -0.035 0.000 0.955 555 R CA -0.785 55.319 56.100 0.007 0.000 0.851 555 R CB 1.922 32.224 30.300 0.003 0.000 1.161 555 R HN 0.109 nan 8.270 nan 0.000 0.446 556 V N 4.452 124.289 119.914 -0.128 0.000 2.378 556 V HA 0.329 4.455 4.120 0.009 0.000 0.288 556 V C -0.284 175.706 176.094 -0.174 0.000 1.016 556 V CA -0.777 61.364 62.300 -0.266 0.000 0.840 556 V CB 1.725 33.213 31.823 -0.559 0.000 0.994 556 V HN 0.447 nan 8.190 nan 0.000 0.431 557 V N 3.784 123.635 119.914 -0.104 0.000 2.435 557 V HA 0.771 4.897 4.120 0.009 0.000 0.290 557 V C 1.069 177.167 176.094 0.006 0.000 1.030 557 V CA 0.566 62.849 62.300 -0.028 0.000 0.881 557 V CB 1.113 32.944 31.823 0.014 0.000 0.983 557 V HN 1.163 nan 8.190 nan 0.000 0.445 558 G N 4.119 112.938 108.800 0.032 0.000 2.132 558 G HA2 -0.271 3.695 3.960 0.009 0.000 0.234 558 G HA3 -0.271 3.695 3.960 0.009 0.000 0.234 558 G C -0.074 174.866 174.900 0.067 0.000 0.989 558 G CA 0.032 45.162 45.100 0.051 0.000 0.676 558 G HN 0.763 nan 8.290 nan 0.000 0.522 559 F N 3.193 123.091 119.950 -0.088 0.000 2.541 559 F HA 0.512 5.044 4.527 0.009 0.000 0.378 559 F C 1.144 176.915 175.800 -0.049 0.000 1.068 559 F CA 0.981 58.922 58.000 -0.097 0.000 1.199 559 F CB 0.701 39.573 39.000 -0.213 0.000 1.091 559 F HN 0.353 nan 8.300 nan 0.000 0.555 560 T N 0.867 115.159 114.554 -0.436 0.000 2.807 560 T HA 0.219 4.575 4.350 0.009 0.000 0.277 560 T C 0.962 175.411 174.700 -0.419 0.000 1.006 560 T CA -0.219 61.719 62.100 -0.271 0.000 1.006 560 T CB 1.218 70.000 68.868 -0.144 0.000 1.274 560 T HN 0.445 nan 8.240 nan 0.000 0.569 561 S N 1.049 116.634 115.700 -0.191 0.000 2.402 561 S HA -0.158 4.318 4.470 0.009 0.000 0.233 561 S C 1.560 176.057 174.600 -0.173 0.000 1.030 561 S CA 1.956 60.075 58.200 -0.136 0.000 1.003 561 S CB -0.902 62.257 63.200 -0.069 0.000 0.813 561 S HN 0.859 nan 8.310 nan 0.000 0.477 562 N N 0.214 118.790 118.700 -0.206 0.000 2.214 562 N HA 0.111 4.857 4.740 0.009 0.000 0.214 562 N C -0.715 174.671 175.510 -0.206 0.000 1.132 562 N CA -0.198 52.755 53.050 -0.160 0.000 0.856 562 N CB -0.142 38.281 38.487 -0.107 0.000 1.020 562 N HN 0.184 nan 8.380 nan 0.000 0.509 563 D N 0.693 120.859 120.400 -0.389 0.000 2.432 563 D HA 0.310 4.956 4.640 0.009 0.000 0.258 563 D C -0.525 175.637 176.300 -0.230 0.000 1.146 563 D CA -0.039 53.721 54.000 -0.400 0.000 1.015 563 D CB 1.603 41.964 40.800 -0.733 0.000 1.107 563 D HN 0.095 nan 8.370 nan 0.000 0.529 564 K N 0.415 120.870 120.400 0.091 0.000 2.543 564 K HA 0.408 4.734 4.320 0.009 0.000 0.255 564 K C -1.530 175.285 176.600 0.358 0.000 0.934 564 K CA -0.553 55.866 56.287 0.220 0.000 0.810 564 K CB 1.296 33.835 32.500 0.065 0.000 1.315 564 K HN 0.290 nan 8.250 nan 0.000 0.433 565 L N 3.209 124.597 121.223 0.276 0.000 2.322 565 L HA 0.632 4.978 4.340 0.009 0.000 0.279 565 L C -0.680 176.130 176.870 -0.100 0.000 1.036 565 L CA -1.286 53.612 54.840 0.096 0.000 0.807 565 L CB 1.860 43.921 42.059 0.004 0.000 1.226 565 L HN 0.259 nan 8.230 nan 0.000 0.433 566 V N 2.633 122.384 119.914 -0.270 0.000 2.447 566 V HA 0.370 4.496 4.120 0.009 0.000 0.292 566 V C -0.828 175.001 176.094 -0.442 0.000 1.021 566 V CA -0.373 61.727 62.300 -0.332 0.000 0.850 566 V CB 1.467 33.110 31.823 -0.300 0.000 1.005 566 V HN 0.383 nan 8.190 nan 0.000 0.426 567 F N 5.912 125.763 119.950 -0.165 0.000 2.385 567 F HA 0.729 5.262 4.527 0.009 0.000 0.360 567 F C -0.224 175.491 175.800 -0.141 0.000 1.122 567 F CA -0.637 57.206 58.000 -0.262 0.000 1.090 567 F CB 1.571 40.187 39.000 -0.641 0.000 1.150 567 F HN 0.314 nan 8.300 nan 0.000 0.472 568 L N 2.991 124.277 121.223 0.105 0.000 2.476 568 L HA 0.695 5.041 4.340 0.009 0.000 0.269 568 L C 0.149 177.189 176.870 0.284 0.000 0.965 568 L CA -0.372 54.576 54.840 0.180 0.000 0.845 568 L CB 1.736 43.879 42.059 0.139 0.000 1.259 568 L HN 0.707 nan 8.230 nan 0.000 0.403 569 G N 3.662 112.707 108.800 0.409 0.000 2.272 569 G HA2 -0.062 3.904 3.960 0.009 0.000 0.280 569 G HA3 -0.062 3.904 3.960 0.009 0.000 0.280 569 G C -0.223 174.834 174.900 0.262 0.000 1.067 569 G CA 0.390 45.701 45.100 0.352 0.000 0.902 569 G HN 1.369 nan 8.290 nan 0.000 0.500 570 V N -3.728 116.320 119.914 0.224 0.000 2.919 570 V HA 0.834 4.959 4.120 0.009 0.000 0.316 570 V C 0.442 176.661 176.094 0.207 0.000 1.077 570 V CA -1.636 60.809 62.300 0.243 0.000 0.977 570 V CB 1.928 33.876 31.823 0.209 0.000 1.039 570 V HN 0.273 nan 8.190 nan 0.000 0.441 571 Q N 1.457 121.392 119.800 0.225 0.000 2.361 571 Q HA 0.322 4.668 4.340 0.009 0.000 0.276 571 Q C 1.242 177.396 176.000 0.258 0.000 1.022 571 Q CA 1.297 57.214 55.803 0.190 0.000 0.898 571 Q CB 0.602 29.421 28.738 0.135 0.000 1.246 571 Q HN 1.847 nan 8.270 nan 0.000 0.410 572 G N 1.296 110.202 108.800 0.176 0.000 2.160 572 G HA2 -0.233 3.733 3.960 0.009 0.000 0.244 572 G HA3 -0.233 3.733 3.960 0.009 0.000 0.244 572 G C -0.102 174.976 174.900 0.297 0.000 1.022 572 G CA 0.121 45.336 45.100 0.191 0.000 0.741 572 G HN 0.405 nan 8.290 nan 0.000 0.508 573 V N 1.931 121.995 119.914 0.251 0.000 2.304 573 V HA 0.417 4.543 4.120 0.009 0.000 0.262 573 V C 1.141 177.347 176.094 0.187 0.000 1.061 573 V CA -0.481 61.975 62.300 0.260 0.000 0.872 573 V CB 0.757 32.707 31.823 0.212 0.000 1.077 573 V HN 0.373 nan 8.190 nan 0.000 0.480 574 L N 6.592 127.916 121.223 0.168 0.000 2.452 574 L HA 0.292 4.638 4.340 0.009 0.000 0.267 574 L C -1.958 174.981 176.870 0.114 0.000 1.188 574 L CA -1.677 53.224 54.840 0.101 0.000 0.821 574 L CB 0.279 42.371 42.059 0.055 0.000 1.102 574 L HN 0.350 nan 8.230 nan 0.000 0.470 575 P HA -0.051 nan 4.420 nan 0.000 0.256 575 P C -0.038 177.319 177.300 0.095 0.000 1.173 575 P CA 0.683 63.847 63.100 0.107 0.000 0.768 575 P CB 0.222 31.978 31.700 0.092 0.000 0.758 576 N N 0.879 119.642 118.700 0.105 0.000 2.909 576 N HA -0.170 4.576 4.740 0.009 0.000 0.242 576 N C -0.595 174.970 175.510 0.091 0.000 0.975 576 N CA 0.847 53.953 53.050 0.092 0.000 0.921 576 N CB -1.724 36.809 38.487 0.075 0.000 1.112 576 N HN 0.415 nan 8.380 nan 0.000 0.581 577 D N 1.196 121.665 120.400 0.116 0.000 2.703 577 D HA 0.009 4.655 4.640 0.009 0.000 0.225 577 D C 0.628 177.011 176.300 0.139 0.000 1.119 577 D CA 0.976 55.063 54.000 0.144 0.000 0.845 577 D CB 0.337 41.308 40.800 0.285 0.000 1.182 577 D HN 0.462 nan 8.370 nan 0.000 0.493 578 D N 0.054 120.514 120.400 0.100 0.000 2.592 578 D HA 0.156 4.802 4.640 0.009 0.000 0.259 578 D C 1.029 177.403 176.300 0.123 0.000 1.144 578 D CA -0.785 53.281 54.000 0.110 0.000 1.080 578 D CB -0.231 40.596 40.800 0.044 0.000 1.225 578 D HN 0.304 nan 8.370 nan 0.000 0.619 579 F N -0.431 119.578 119.950 0.098 0.000 2.269 579 F HA 0.105 4.638 4.527 0.009 0.000 0.301 579 F C 1.941 177.768 175.800 0.046 0.000 1.082 579 F CA 0.584 58.633 58.000 0.082 0.000 1.360 579 F CB -0.522 38.513 39.000 0.059 0.000 1.041 579 F HN 0.071 nan 8.300 nan 0.000 0.512 580 R N 0.962 121.008 120.500 -0.757 0.000 2.152 580 R HA 0.034 4.379 4.340 0.009 0.000 0.232 580 R C 2.265 178.388 176.300 -0.295 0.000 1.117 580 R CA 0.962 56.696 56.100 -0.610 0.000 0.981 580 R CB -0.633 29.281 30.300 -0.643 0.000 0.870 580 R HN 0.455 nan 8.270 nan 0.000 0.451 581 A N -0.135 122.550 122.820 -0.225 0.000 2.235 581 A HA -0.061 4.265 4.320 0.009 0.000 0.208 581 A C 0.617 177.874 177.584 -0.545 0.000 1.172 581 A CA 0.925 52.779 52.037 -0.305 0.000 0.786 581 A CB -0.189 18.655 19.000 -0.260 0.000 0.804 581 A HN 0.344 nan 8.150 nan 0.000 0.479 582 H N -2.182 116.724 119.070 -0.274 0.000 3.398 582 H HA 0.521 5.083 4.556 0.009 0.000 0.260 582 H C 0.438 175.575 175.328 -0.318 0.000 1.189 582 H CA 0.387 56.180 56.048 -0.425 0.000 1.145 582 H CB 0.764 30.075 29.762 -0.751 0.000 1.599 582 H HN 0.419 nan 8.280 nan 0.000 0.615 583 A N 0.896 123.660 122.820 -0.093 0.000 2.350 583 A HA 0.742 5.068 4.320 0.009 0.000 0.324 583 A C -0.210 177.342 177.584 -0.054 0.000 1.118 583 A CA -0.172 51.849 52.037 -0.027 0.000 0.783 583 A CB 1.011 20.093 19.000 0.137 0.000 1.236 583 A HN 0.263 nan 8.150 nan 0.000 0.457 584 S N 1.536 117.209 115.700 -0.045 0.000 2.671 584 S HA 0.774 5.250 4.470 0.009 0.000 0.277 584 S C -0.763 173.819 174.600 -0.030 0.000 1.165 584 S CA -0.865 57.309 58.200 -0.044 0.000 0.822 584 S CB 1.095 64.257 63.200 -0.063 0.000 1.150 584 S HN 0.540 nan 8.310 nan 0.000 0.479 585 M N 2.001 121.585 119.600 -0.027 0.000 2.188 585 M HA 0.474 4.960 4.480 0.009 0.000 0.357 585 M C -1.111 175.171 176.300 -0.029 0.000 1.204 585 M CA -0.599 54.687 55.300 -0.024 0.000 1.095 585 M CB 1.131 33.721 32.600 -0.017 0.000 1.604 585 M HN 0.607 nan 8.290 nan 0.000 0.464 586 V N 3.111 123.008 119.914 -0.029 0.000 2.325 586 V HA 0.580 4.706 4.120 0.009 0.000 0.280 586 V C 0.871 176.951 176.094 -0.023 0.000 1.016 586 V CA 0.155 62.438 62.300 -0.028 0.000 0.818 586 V CB 0.577 32.382 31.823 -0.030 0.000 1.019 586 V HN 1.167 nan 8.190 nan 0.000 0.434 587 G N 4.605 113.393 108.800 -0.020 0.000 2.620 587 G HA2 -0.306 3.659 3.960 0.009 0.000 0.315 587 G HA3 -0.306 3.659 3.960 0.009 0.000 0.315 587 G C 0.735 175.626 174.900 -0.015 0.000 1.179 587 G CA 0.760 45.850 45.100 -0.016 0.000 0.971 587 G HN 0.524 nan 8.290 nan 0.000 0.544 588 Q N 1.666 121.457 119.800 -0.015 0.000 2.408 588 Q HA 0.158 4.504 4.340 0.009 0.000 0.205 588 Q C -0.011 175.978 176.000 -0.018 0.000 0.919 588 Q CA 0.766 56.561 55.803 -0.013 0.000 0.932 588 Q CB 0.415 29.147 28.738 -0.011 0.000 1.058 588 Q HN 0.662 nan 8.270 nan 0.000 0.517 589 D N 0.846 121.231 120.400 -0.024 0.000 2.163 589 D HA 0.188 4.834 4.640 0.009 0.000 0.248 589 D C -0.378 175.898 176.300 -0.041 0.000 1.035 589 D CA -0.134 53.844 54.000 -0.036 0.000 0.872 589 D CB 1.577 42.354 40.800 -0.039 0.000 1.183 589 D HN -0.244 nan 8.370 nan 0.000 0.445 590 T N 1.029 115.549 114.554 -0.057 0.000 2.794 590 T HA 0.291 4.647 4.350 0.009 0.000 0.296 590 T C 0.236 174.892 174.700 -0.073 0.000 0.949 590 T CA -0.386 61.678 62.100 -0.059 0.000 1.101 590 T CB 0.683 69.509 68.868 -0.069 0.000 0.905 590 T HN 0.005 nan 8.240 nan 0.000 0.516 591 V N 5.526 125.407 119.914 -0.055 0.000 2.435 591 V HA 0.453 4.579 4.120 0.009 0.000 0.290 591 V C -0.231 175.827 176.094 -0.060 0.000 1.030 591 V CA -0.841 61.426 62.300 -0.056 0.000 0.881 591 V CB 1.387 33.182 31.823 -0.047 0.000 0.983 591 V HN 0.670 nan 8.190 nan 0.000 0.445 592 L N 5.475 126.666 121.223 -0.053 0.000 2.313 592 L HA 0.576 4.921 4.340 0.009 0.000 0.283 592 L C -0.011 176.804 176.870 -0.092 0.000 1.013 592 L CA -0.142 54.645 54.840 -0.088 0.000 0.816 592 L CB 1.394 43.426 42.059 -0.045 0.000 1.236 592 L HN 0.497 nan 8.230 nan 0.000 0.419 593 K N 3.270 123.483 120.400 -0.311 0.000 2.292 593 K HA 0.644 4.969 4.320 0.009 0.000 0.257 593 K C -1.536 174.701 176.600 -0.606 0.000 0.940 593 K CA -0.427 55.705 56.287 -0.258 0.000 0.811 593 K CB 1.710 34.101 32.500 -0.181 0.000 1.120 593 K HN 0.261 nan 8.250 nan 0.000 0.428 594 F N 1.677 121.639 119.950 0.020 0.000 2.716 594 F HA 0.275 4.808 4.527 0.009 0.000 0.354 594 F C 0.896 176.688 175.800 -0.013 0.000 1.168 594 F CA -0.360 57.660 58.000 0.035 0.000 1.045 594 F CB 1.541 40.578 39.000 0.060 0.000 1.311 594 F HN 0.871 nan 8.300 nan 0.000 0.477 595 G N 2.150 111.006 108.800 0.094 0.000 2.611 595 G HA2 -0.290 3.676 3.960 0.009 0.000 0.301 595 G HA3 -0.290 3.676 3.960 0.009 0.000 0.301 595 G C 1.277 176.168 174.900 -0.016 0.000 1.233 595 G CA 0.171 45.290 45.100 0.033 0.000 0.993 595 G HN 1.161 nan 8.290 nan 0.000 0.553 596 G N 0.295 109.073 108.800 -0.037 0.000 2.920 596 G HA2 0.367 4.333 3.960 0.009 0.000 0.208 596 G HA3 0.367 4.333 3.960 0.009 0.000 0.208 596 G C 0.257 175.091 174.900 -0.111 0.000 1.159 596 G CA 1.107 46.171 45.100 -0.060 0.000 0.784 596 G HN 0.680 nan 8.290 nan 0.000 0.535 597 D N 0.333 120.622 120.400 -0.185 0.000 2.217 597 D HA 0.514 5.159 4.640 0.009 0.000 0.248 597 D C -0.104 176.103 176.300 -0.154 0.000 1.008 597 D CA 0.074 53.822 54.000 -0.420 0.000 0.914 597 D CB 1.915 42.014 40.800 -1.168 0.000 1.182 597 D HN 0.225 nan 8.370 nan 0.000 0.451 598 S N -0.753 114.947 115.700 -0.000 0.000 2.550 598 S HA 0.603 5.079 4.470 0.009 0.000 0.270 598 S C -1.131 173.681 174.600 0.353 0.000 1.145 598 S CA -0.829 57.501 58.200 0.216 0.000 0.852 598 S CB 1.568 64.807 63.200 0.066 0.000 1.119 598 S HN 0.158 nan 8.310 nan 0.000 0.465 599 V N 1.821 121.854 119.914 0.198 0.000 2.487 599 V HA 0.574 4.700 4.120 0.009 0.000 0.298 599 V C -0.362 175.710 176.094 -0.037 0.000 1.028 599 V CA -0.470 61.836 62.300 0.011 0.000 0.860 599 V CB 1.858 33.510 31.823 -0.285 0.000 0.991 599 V HN 1.036 nan 8.190 nan 0.000 0.427 600 T N 6.431 120.959 114.554 -0.044 0.000 2.743 600 T HA 0.501 4.856 4.350 0.009 0.000 0.292 600 T C 0.012 174.632 174.700 -0.133 0.000 0.972 600 T CA -0.227 61.829 62.100 -0.074 0.000 0.967 600 T CB 0.531 69.376 68.868 -0.039 0.000 0.926 600 T HN 0.393 nan 8.240 nan 0.000 0.459 601 L N 4.199 125.316 121.223 -0.177 0.000 2.358 601 L HA 0.261 4.607 4.340 0.009 0.000 0.274 601 L C 0.214 177.007 176.870 -0.128 0.000 1.136 601 L CA -0.795 53.904 54.840 -0.234 0.000 0.970 601 L CB 0.061 41.900 42.059 -0.367 0.000 1.314 601 L HN 0.419 nan 8.230 nan 0.000 0.427 602 V N 3.206 123.064 119.914 -0.093 0.000 2.555 602 V HA -0.017 4.109 4.120 0.009 0.000 0.299 602 V C 1.507 177.583 176.094 -0.031 0.000 1.012 602 V CA 1.464 63.734 62.300 -0.050 0.000 1.180 602 V CB -0.001 31.800 31.823 -0.037 0.000 0.887 602 V HN 1.093 nan 8.190 nan 0.000 0.476 603 G N 3.594 112.381 108.800 -0.023 0.000 2.234 603 G HA2 -0.223 3.742 3.960 0.009 0.000 0.260 603 G HA3 -0.223 3.742 3.960 0.009 0.000 0.260 603 G C 0.145 175.043 174.900 -0.003 0.000 0.987 603 G CA 0.033 45.128 45.100 -0.008 0.000 0.625 603 G HN 0.844 nan 8.290 nan 0.000 0.532 604 V N 1.758 121.665 119.914 -0.012 0.000 2.461 604 V HA 0.677 4.802 4.120 0.009 0.000 0.275 604 V C 0.926 177.017 176.094 -0.006 0.000 1.047 604 V CA -0.154 62.149 62.300 0.004 0.000 0.955 604 V CB 1.312 33.136 31.823 0.002 0.000 0.988 604 V HN 1.066 nan 8.190 nan 0.000 0.471 605 A N 4.328 127.154 122.820 0.010 0.000 2.366 605 A HA 0.447 4.773 4.320 0.009 0.000 0.272 605 A C 0.930 178.528 177.584 0.023 0.000 1.135 605 A CA -0.422 51.623 52.037 0.012 0.000 0.804 605 A CB 0.386 19.396 19.000 0.017 0.000 1.064 605 A HN 0.889 nan 8.150 nan 0.000 0.499 606 L N 2.679 123.921 121.223 0.030 0.000 2.129 606 L HA -0.220 4.125 4.340 0.009 0.000 0.212 606 L C 1.791 178.727 176.870 0.110 0.000 1.087 606 L CA 2.225 57.109 54.840 0.073 0.000 0.757 606 L CB -0.685 41.419 42.059 0.076 0.000 0.896 606 L HN 0.806 nan 8.230 nan 0.000 0.434 607 N N -0.851 117.894 118.700 0.075 0.000 2.381 607 N HA -0.135 4.611 4.740 0.009 0.000 0.182 607 N C 1.678 177.231 175.510 0.072 0.000 1.025 607 N CA 1.330 54.426 53.050 0.075 0.000 0.888 607 N CB -0.194 38.321 38.487 0.046 0.000 0.965 607 N HN 0.591 nan 8.380 nan 0.000 0.438 608 S N 0.162 115.895 115.700 0.055 0.000 2.593 608 S HA 0.143 4.619 4.470 0.009 0.000 0.217 608 S C 0.837 175.460 174.600 0.038 0.000 0.966 608 S CA -0.322 57.905 58.200 0.046 0.000 0.914 608 S CB -0.123 63.102 63.200 0.042 0.000 0.776 608 S HN 0.106 nan 8.310 nan 0.000 0.523 609 L N 1.406 122.643 121.223 0.023 0.000 2.421 609 L HA 0.566 4.912 4.340 0.009 0.000 0.263 609 L C 0.194 176.994 176.870 -0.117 0.000 1.122 609 L CA -0.527 54.246 54.840 -0.111 0.000 0.804 609 L CB 1.588 43.455 42.059 -0.321 0.000 1.150 609 L HN 0.158 nan 8.230 nan 0.000 0.457 610 S N -0.114 115.434 115.700 -0.252 0.000 2.614 610 S HA 0.491 4.967 4.470 0.009 0.000 0.288 610 S C 0.570 175.087 174.600 -0.138 0.000 1.137 610 S CA -0.186 57.967 58.200 -0.077 0.000 0.992 610 S CB 1.838 65.030 63.200 -0.013 0.000 1.026 610 S HN 0.687 nan 8.310 nan 0.000 0.486 611 A N 3.557 126.463 122.820 0.144 0.000 2.024 611 A HA -0.099 4.227 4.320 0.009 0.000 0.220 611 A C 1.467 179.109 177.584 0.095 0.000 1.164 611 A CA 2.206 54.377 52.037 0.224 0.000 0.643 611 A CB -0.823 18.373 19.000 0.326 0.000 0.806 611 A HN 0.853 nan 8.150 nan 0.000 0.451 612 D N -0.511 119.928 120.400 0.065 0.000 2.172 612 D HA -0.096 4.550 4.640 0.009 0.000 0.196 612 D C 1.773 178.091 176.300 0.030 0.000 0.999 612 D CA 1.734 55.761 54.000 0.046 0.000 0.856 612 D CB -0.211 40.610 40.800 0.034 0.000 0.934 612 D HN 0.473 nan 8.370 nan 0.000 0.453 613 G N -1.225 107.582 108.800 0.012 0.000 3.159 613 G HA2 0.279 4.244 3.960 0.009 0.000 0.232 613 G HA3 0.279 4.244 3.960 0.009 0.000 0.232 613 G C 0.260 175.207 174.900 0.079 0.000 1.116 613 G CA -0.228 44.906 45.100 0.057 0.000 0.767 613 G HN 0.157 nan 8.290 nan 0.000 0.547 614 I N 1.564 122.136 120.570 0.002 0.000 2.521 614 I HA 0.240 4.416 4.170 0.009 0.000 0.277 614 I C -0.759 175.412 176.117 0.090 0.000 1.054 614 I CA -0.645 60.680 61.300 0.043 0.000 1.117 614 I CB 2.421 40.377 38.000 -0.073 0.000 1.217 614 I HN -0.310 nan 8.210 nan 0.000 0.469 615 V N 6.637 126.559 119.914 0.014 0.000 2.406 615 V HA 0.363 4.489 4.120 0.009 0.000 0.272 615 V C 0.198 176.308 176.094 0.027 0.000 1.043 615 V CA -0.269 61.973 62.300 -0.096 0.000 0.915 615 V CB 1.166 32.685 31.823 -0.506 0.000 0.988 615 V HN 0.375 nan 8.190 nan 0.000 0.466 616 I N 4.872 125.487 120.570 0.075 0.000 2.389 616 I HA 0.781 4.957 4.170 0.009 0.000 0.288 616 I C 0.296 176.458 176.117 0.075 0.000 0.999 616 I CA -0.217 61.143 61.300 0.099 0.000 1.129 616 I CB 1.107 39.188 38.000 0.134 0.000 1.288 616 I HN 0.673 nan 8.210 nan 0.000 0.444 617 A N 0.000 122.869 122.820 0.081 0.000 2.254 617 A HA 0.000 4.326 4.320 0.009 0.000 0.244 617 A CA 0.000 52.107 52.037 0.117 0.000 0.836 617 A CB 0.000 19.035 19.000 0.058 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486