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 2xhm_1_A DATA FIRST_RESID 17 DATA SEQUENCE ALVKEEIQAK EYLENLNKEL AKRTNVETEA AWAYGSNITD ENEKKKNEIS DATA SEQUENCE AELAKFMKEV ASDTTKFQWR SYQSEDLKRQ FKALTKLGYA ALPEDDYAEL DATA SEQUENCE LDTLSAMESN FAKVKVcDYK DSTKcDLALD PEIEEVISKS RDHEELAYYW DATA SEQUENCE REFYDKAGTA VRSQFERYVE LNTKAAKLNN FTSGAEAWLD EYEDDTFEQQ DATA SEQUENCE LEDIFADIRP LYQQIHGYVR FRLRKHYGDA VVSETGPIPM HLLGNMWAQQ DATA SEQUENCE WSEIADIVSP FPEKPLVDVS AEMEKQGYTP LKMFQMGDDF FTSMNLTKLP DATA SEQUENCE QDFWDKSIIE KPTDGRDLVc HASAWDFYLT DDVRIKQcTR VTQDQLFTVH DATA SEQUENCE HELGHIQYFL QYQHQPFVYR TGANPGFHEA VGDVLSLSVS TPKHLEKIGL DATA SEQUENCE LKDYVRDDEA RINQLFLTAL DKIVFLPFAF TMDKYRWSLF RGEVDKANWN DATA SEQUENCE cAFWKLRDEY SGIEPPVVRS EKDFDAPAKY HISADVEYLR YLVSFIIQFQ DATA SEQUENCE FYKSAcIKAG QYDPDNVELP LDNcDIYGSA AAGAAFHNML SMGASKPWPD DATA SEQUENCE ALEAFNGERI MSGKAIAEYF EPLRVWLEAE NIKNNVHIGW TTSNKcVS 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 17 A HA 0.000 nan 4.320 nan 0.000 0.244 17 A C 0.000 177.602 177.584 0.030 0.000 1.274 17 A CA 0.000 52.046 52.037 0.015 0.000 0.836 17 A CB 0.000 19.006 19.000 0.011 0.000 0.831 18 L N 1.231 122.479 121.223 0.041 0.000 2.341 18 L HA -0.024 4.310 4.340 -0.009 0.000 0.214 18 L C 2.141 179.028 176.870 0.029 0.000 1.115 18 L CA 0.914 55.800 54.840 0.076 0.000 0.820 18 L CB -0.247 41.876 42.059 0.107 0.000 0.944 18 L HN 0.673 nan 8.230 nan 0.000 0.452 19 V N 0.611 120.531 119.914 0.011 0.000 2.295 19 V HA -0.323 3.792 4.120 -0.009 0.000 0.246 19 V C 3.091 179.173 176.094 -0.021 0.000 1.049 19 V CA 2.477 64.769 62.300 -0.013 0.000 1.024 19 V CB -1.087 30.735 31.823 -0.002 0.000 0.648 19 V HN 0.551 nan 8.190 nan 0.000 0.447 20 K N -0.082 120.319 120.400 0.001 0.000 2.097 20 K HA -0.195 4.119 4.320 -0.009 0.000 0.205 20 K C 2.057 178.671 176.600 0.023 0.000 1.050 20 K CA 1.768 58.061 56.287 0.010 0.000 0.938 20 K CB -0.656 31.855 32.500 0.017 0.000 0.718 20 K HN 0.661 nan 8.250 nan 0.000 0.442 21 E N -0.194 120.027 120.200 0.036 0.000 2.107 21 E HA -0.181 4.163 4.350 -0.009 0.000 0.191 21 E C 2.122 178.732 176.600 0.017 0.000 0.982 21 E CA 1.000 57.458 56.400 0.098 0.000 0.809 21 E CB 0.035 29.837 29.700 0.170 0.000 0.756 21 E HN 0.720 nan 8.360 nan 0.000 0.459 22 E N 0.202 120.266 120.200 -0.226 0.000 2.110 22 E HA -0.177 4.167 4.350 -0.009 0.000 0.193 22 E C 2.072 178.542 176.600 -0.216 0.000 0.988 22 E CA 0.890 56.959 56.400 -0.551 0.000 0.804 22 E CB 0.013 29.352 29.700 -0.601 0.000 0.745 22 E HN 0.313 nan 8.360 nan 0.000 0.458 23 I N 0.802 121.319 120.570 -0.089 0.000 2.179 23 I HA -0.295 3.870 4.170 -0.009 0.000 0.242 23 I C 2.784 178.920 176.117 0.032 0.000 1.088 23 I CA 1.196 62.483 61.300 -0.021 0.000 1.357 23 I CB -0.281 37.718 38.000 -0.003 0.000 1.051 23 I HN 0.209 nan 8.210 nan 0.000 0.409 24 Q N 1.103 120.951 119.800 0.079 0.000 2.124 24 Q HA -0.229 4.105 4.340 -0.009 0.000 0.202 24 Q C 2.311 178.450 176.000 0.231 0.000 0.977 24 Q CA 1.837 57.741 55.803 0.168 0.000 0.850 24 Q CB -0.075 28.790 28.738 0.212 0.000 0.901 24 Q HN 0.551 nan 8.270 nan 0.000 0.429 25 A N 1.285 124.224 122.820 0.198 0.000 1.902 25 A HA -0.211 4.103 4.320 -0.009 0.000 0.217 25 A C 2.042 179.684 177.584 0.097 0.000 1.181 25 A CA 1.637 53.732 52.037 0.097 0.000 0.623 25 A CB -0.544 18.558 19.000 0.171 0.000 0.818 25 A HN 0.393 nan 8.150 nan 0.000 0.443 26 K N -0.142 120.291 120.400 0.055 0.000 2.063 26 K HA -0.217 4.098 4.320 -0.009 0.000 0.208 26 K C 1.900 178.504 176.600 0.005 0.000 1.048 26 K CA 1.866 58.163 56.287 0.017 0.000 0.928 26 K CB -0.189 32.314 32.500 0.004 0.000 0.713 26 K HN 0.647 nan 8.250 nan 0.000 0.442 27 E N -0.750 119.477 120.200 0.046 0.000 2.106 27 E HA -0.219 4.126 4.350 -0.009 0.000 0.192 27 E C 1.859 178.487 176.600 0.047 0.000 0.984 27 E CA 1.195 57.621 56.400 0.044 0.000 0.806 27 E CB -0.212 29.532 29.700 0.073 0.000 0.750 27 E HN 0.390 nan 8.360 nan 0.000 0.458 28 Y N 1.503 121.788 120.300 -0.026 0.000 2.165 28 Y HA -0.224 4.320 4.550 -0.009 0.000 0.286 28 Y C 1.878 177.678 175.900 -0.166 0.000 1.155 28 Y CA 1.427 59.498 58.100 -0.049 0.000 1.164 28 Y CB -0.130 38.304 38.460 -0.043 0.000 0.978 28 Y HN -0.052 nan 8.280 nan 0.000 0.513 29 L N -0.118 120.961 121.223 -0.240 0.000 2.056 29 L HA -0.191 4.143 4.340 -0.009 0.000 0.207 29 L C 2.458 179.137 176.870 -0.318 0.000 1.078 29 L CA 1.685 56.283 54.840 -0.403 0.000 0.749 29 L CB -0.584 41.247 42.059 -0.381 0.000 0.901 29 L HN 0.250 nan 8.230 nan 0.000 0.433 30 E N 0.143 120.225 120.200 -0.198 0.000 2.058 30 E HA -0.287 4.057 4.350 -0.009 0.000 0.194 30 E C 1.874 178.379 176.600 -0.158 0.000 0.997 30 E CA 1.847 58.160 56.400 -0.145 0.000 0.801 30 E CB -0.109 29.543 29.700 -0.080 0.000 0.746 30 E HN 0.428 nan 8.360 nan 0.000 0.450 31 N N 0.125 118.720 118.700 -0.174 0.000 2.106 31 N HA -0.170 4.564 4.740 -0.009 0.000 0.188 31 N C 1.831 177.204 175.510 -0.228 0.000 1.029 31 N CA 0.677 53.627 53.050 -0.168 0.000 0.848 31 N CB -0.057 38.351 38.487 -0.132 0.000 1.007 31 N HN 0.036 nan 8.380 nan 0.000 0.423 32 L N 0.938 121.942 121.223 -0.365 0.000 2.046 32 L HA -0.029 4.305 4.340 -0.009 0.000 0.208 32 L C 1.512 178.213 176.870 -0.283 0.000 1.077 32 L CA 1.717 56.336 54.840 -0.368 0.000 0.747 32 L CB -1.076 40.604 42.059 -0.632 0.000 0.896 32 L HN 0.256 nan 8.230 nan 0.000 0.432 33 N N -0.579 117.957 118.700 -0.273 0.000 2.043 33 N HA -0.230 4.504 4.740 -0.009 0.000 0.193 33 N C 1.726 177.111 175.510 -0.208 0.000 1.037 33 N CA 1.911 54.843 53.050 -0.197 0.000 0.851 33 N CB -0.139 38.257 38.487 -0.152 0.000 1.027 33 N HN 0.335 nan 8.380 nan 0.000 0.422 34 K N 0.499 120.797 120.400 -0.169 0.000 2.097 34 K HA -0.200 4.114 4.320 -0.009 0.000 0.206 34 K C 1.927 178.403 176.600 -0.207 0.000 1.049 34 K CA 1.105 57.306 56.287 -0.144 0.000 0.933 34 K CB -0.063 32.378 32.500 -0.097 0.000 0.717 34 K HN 0.309 nan 8.250 nan 0.000 0.442 35 E N 1.196 121.260 120.200 -0.226 0.000 2.072 35 E HA -0.160 4.184 4.350 -0.009 0.000 0.191 35 E C 1.906 178.275 176.600 -0.386 0.000 0.985 35 E CA 0.803 57.046 56.400 -0.262 0.000 0.801 35 E CB 0.007 29.591 29.700 -0.194 0.000 0.750 35 E HN 0.195 nan 8.360 nan 0.000 0.452 36 L N 0.318 121.255 121.223 -0.475 0.000 2.093 36 L HA -0.119 4.215 4.340 -0.009 0.000 0.208 36 L C 2.655 178.820 176.870 -1.175 0.000 1.085 36 L CA 0.950 55.314 54.840 -0.794 0.000 0.755 36 L CB -0.486 40.995 42.059 -0.963 0.000 0.904 36 L HN 0.250 nan 8.230 nan 0.000 0.435 37 A N 0.145 122.337 122.820 -1.047 0.000 1.883 37 A HA -0.278 4.037 4.320 -0.009 0.000 0.217 37 A C 2.309 179.727 177.584 -0.278 0.000 1.186 37 A CA 2.144 53.828 52.037 -0.590 0.000 0.624 37 A CB -0.421 18.513 19.000 -0.110 0.000 0.822 37 A HN 0.209 nan 8.150 nan 0.000 0.444 38 K N -0.162 120.091 120.400 -0.246 0.000 2.057 38 K HA -0.041 4.273 4.320 -0.009 0.000 0.206 38 K C 2.153 178.654 176.600 -0.165 0.000 1.050 38 K CA 1.545 57.742 56.287 -0.150 0.000 0.935 38 K CB -0.253 32.157 32.500 -0.150 0.000 0.715 38 K HN 0.473 nan 8.250 nan 0.000 0.439 39 R N -0.882 119.455 120.500 -0.270 0.000 2.092 39 R HA -0.031 4.304 4.340 -0.009 0.000 0.231 39 R C 2.078 178.283 176.300 -0.158 0.000 1.119 39 R CA 1.733 57.684 56.100 -0.248 0.000 0.970 39 R CB -0.321 29.753 30.300 -0.377 0.000 0.864 39 R HN 0.201 nan 8.270 nan 0.000 0.440 40 T N 0.613 115.045 114.554 -0.203 0.000 2.857 40 T HA -0.126 4.218 4.350 -0.009 0.000 0.266 40 T C 1.447 176.195 174.700 0.080 0.000 1.048 40 T CA 1.446 63.502 62.100 -0.073 0.000 1.139 40 T CB -0.357 68.416 68.868 -0.158 0.000 0.874 40 T HN 0.337 nan 8.240 nan 0.000 0.455 41 N N 1.076 119.838 118.700 0.102 0.000 2.060 41 N HA -0.152 4.582 4.740 -0.009 0.000 0.195 41 N C 1.648 177.260 175.510 0.171 0.000 1.028 41 N CA 1.576 54.739 53.050 0.189 0.000 0.861 41 N CB -0.481 38.099 38.487 0.156 0.000 1.029 41 N HN 0.163 nan 8.380 nan 0.000 0.428 42 V N 0.605 120.571 119.914 0.088 0.000 2.343 42 V HA -0.187 3.927 4.120 -0.009 0.000 0.247 42 V C 2.343 178.505 176.094 0.113 0.000 1.051 42 V CA 2.085 64.434 62.300 0.083 0.000 1.036 42 V CB -0.759 31.076 31.823 0.021 0.000 0.654 42 V HN 0.471 nan 8.190 nan 0.000 0.451 43 E N 0.129 120.386 120.200 0.096 0.000 2.051 43 E HA -0.225 4.120 4.350 -0.009 0.000 0.192 43 E C 2.224 178.932 176.600 0.180 0.000 0.991 43 E CA 1.928 58.400 56.400 0.120 0.000 0.799 43 E CB -0.125 29.633 29.700 0.097 0.000 0.748 43 E HN 0.631 nan 8.360 nan 0.000 0.449 44 T N 1.396 116.056 114.554 0.178 0.000 2.788 44 T HA -0.137 4.208 4.350 -0.009 0.000 0.268 44 T C 1.582 176.496 174.700 0.356 0.000 1.044 44 T CA 1.138 63.354 62.100 0.192 0.000 1.139 44 T CB -0.162 68.659 68.868 -0.079 0.000 0.867 44 T HN 0.179 nan 8.240 nan 0.000 0.454 45 E N 1.257 121.692 120.200 0.391 0.000 2.085 45 E HA -0.084 4.261 4.350 -0.009 0.000 0.194 45 E C 2.587 179.405 176.600 0.363 0.000 0.994 45 E CA 1.267 57.931 56.400 0.441 0.000 0.801 45 E CB -0.433 29.433 29.700 0.277 0.000 0.743 45 E HN 0.528 nan 8.360 nan 0.000 0.453 46 A N 1.197 124.181 122.820 0.273 0.000 1.969 46 A HA -0.018 4.296 4.320 -0.009 0.000 0.218 46 A C 2.362 180.119 177.584 0.289 0.000 1.169 46 A CA 1.734 53.911 52.037 0.232 0.000 0.635 46 A CB -0.369 18.727 19.000 0.161 0.000 0.810 46 A HN 0.256 nan 8.150 nan 0.000 0.445 47 A N -1.273 121.763 122.820 0.359 0.000 1.968 47 A HA -0.119 4.196 4.320 -0.009 0.000 0.217 47 A C 2.048 179.949 177.584 0.528 0.000 1.169 47 A CA 1.186 53.505 52.037 0.470 0.000 0.638 47 A CB -0.753 18.551 19.000 0.508 0.000 0.812 47 A HN 0.866 nan 8.150 nan 0.000 0.446 48 W N 0.898 122.300 121.300 0.171 0.000 2.379 48 W HA -0.135 4.515 4.660 -0.017 0.000 0.307 48 W C 2.164 178.622 176.519 -0.102 0.000 1.200 48 W CA 1.853 59.016 57.345 -0.304 0.000 1.297 48 W CB -0.391 28.921 29.460 -0.246 0.000 1.140 48 W HN 0.401 nan 8.180 nan 0.000 0.507 49 A N -0.105 122.817 122.820 0.170 0.000 1.933 49 A HA -0.282 4.032 4.320 -0.009 0.000 0.218 49 A C 1.851 179.453 177.584 0.031 0.000 1.175 49 A CA 1.782 53.866 52.037 0.078 0.000 0.628 49 A CB -1.599 17.504 19.000 0.172 0.000 0.814 49 A HN 0.527 nan 8.150 nan 0.000 0.444 50 Y N 0.644 120.948 120.300 0.006 0.000 2.184 50 Y HA 0.039 4.583 4.550 -0.009 0.000 0.290 50 Y C 2.431 178.319 175.900 -0.019 0.000 1.129 50 Y CA 1.334 59.444 58.100 0.017 0.000 1.144 50 Y CB -0.816 37.689 38.460 0.075 0.000 0.995 50 Y HN 0.204 nan 8.280 nan 0.000 0.513 51 G N -1.267 107.461 108.800 -0.119 0.000 2.422 51 G HA2 -0.199 3.755 3.960 -0.009 0.000 0.218 51 G HA3 -0.199 3.755 3.960 -0.009 0.000 0.218 51 G C 1.710 176.397 174.900 -0.356 0.000 1.140 51 G CA 1.030 46.010 45.100 -0.200 0.000 0.775 51 G HN 0.429 nan 8.290 nan 0.000 0.545 52 S N -0.259 115.135 115.700 -0.510 0.000 2.496 52 S HA 0.057 4.521 4.470 -0.009 0.000 0.224 52 S C 0.701 175.120 174.600 -0.301 0.000 0.996 52 S CA 0.334 58.222 58.200 -0.519 0.000 0.927 52 S CB 0.076 62.828 63.200 -0.746 0.000 0.774 52 S HN 0.450 nan 8.310 nan 0.000 0.524 53 N N 0.668 119.214 118.700 -0.257 0.000 2.976 53 N HA 0.180 4.915 4.740 -0.009 0.000 0.220 53 N C -1.487 173.928 175.510 -0.157 0.000 1.428 53 N CA -0.110 52.845 53.050 -0.159 0.000 0.748 53 N CB -0.065 38.365 38.487 -0.095 0.000 1.484 53 N HN 0.019 nan 8.380 nan 0.000 0.578 54 I N 2.376 122.808 120.570 -0.231 0.000 2.494 54 I HA 0.142 4.307 4.170 -0.009 0.000 0.289 54 I C 0.522 176.637 176.117 -0.004 0.000 1.106 54 I CA 0.407 61.550 61.300 -0.263 0.000 1.369 54 I CB 0.160 37.980 38.000 -0.299 0.000 1.410 54 I HN 0.503 nan 8.210 nan 0.000 0.523 55 T N -0.004 114.636 114.554 0.144 0.000 2.864 55 T HA 0.288 4.632 4.350 -0.009 0.000 0.299 55 T C 0.382 175.196 174.700 0.190 0.000 1.166 55 T CA -0.861 61.321 62.100 0.138 0.000 1.007 55 T CB 1.977 70.898 68.868 0.090 0.000 1.219 55 T HN 0.330 nan 8.240 nan 0.000 0.506 56 D N 0.278 120.750 120.400 0.119 0.000 2.144 56 D HA -0.089 4.546 4.640 -0.009 0.000 0.199 56 D C 1.710 178.050 176.300 0.067 0.000 0.984 56 D CA 1.363 55.415 54.000 0.087 0.000 0.834 56 D CB 0.015 40.850 40.800 0.058 0.000 0.955 56 D HN 0.820 nan 8.370 nan 0.000 0.465 57 E N 0.224 120.466 120.200 0.070 0.000 2.047 57 E HA -0.171 4.174 4.350 -0.009 0.000 0.191 57 E C 1.474 178.115 176.600 0.068 0.000 0.987 57 E CA 0.865 57.300 56.400 0.058 0.000 0.799 57 E CB 0.143 29.875 29.700 0.054 0.000 0.752 57 E HN 0.105 nan 8.360 nan 0.000 0.449 58 N N 0.830 119.602 118.700 0.119 0.000 2.270 58 N HA -0.157 4.578 4.740 -0.009 0.000 0.181 58 N C 1.581 177.138 175.510 0.077 0.000 1.016 58 N CA 0.901 54.049 53.050 0.162 0.000 0.870 58 N CB -0.265 38.381 38.487 0.264 0.000 0.979 58 N HN 0.354 nan 8.380 nan 0.000 0.431 59 E N 1.344 121.538 120.200 -0.011 0.000 2.017 59 E HA -0.207 4.137 4.350 -0.009 0.000 0.193 59 E C 1.820 178.295 176.600 -0.208 0.000 0.997 59 E CA 1.154 57.319 56.400 -0.391 0.000 0.804 59 E CB 0.024 29.584 29.700 -0.232 0.000 0.757 59 E HN 0.196 nan 8.360 nan 0.000 0.448 60 K N 0.568 120.921 120.400 -0.080 0.000 2.074 60 K HA -0.218 4.096 4.320 -0.009 0.000 0.209 60 K C 2.180 178.765 176.600 -0.026 0.000 1.048 60 K CA 1.812 58.074 56.287 -0.042 0.000 0.926 60 K CB 0.034 32.529 32.500 -0.009 0.000 0.713 60 K HN 0.007 nan 8.250 nan 0.000 0.444 61 K N 0.574 120.971 120.400 -0.005 0.000 2.002 61 K HA -0.180 4.134 4.320 -0.009 0.000 0.209 61 K C 2.241 178.853 176.600 0.020 0.000 1.048 61 K CA 1.531 57.831 56.287 0.021 0.000 0.930 61 K CB -0.151 32.378 32.500 0.049 0.000 0.714 61 K HN 0.127 nan 8.250 nan 0.000 0.438 62 K N 1.028 121.426 120.400 -0.004 0.000 2.044 62 K HA -0.195 4.119 4.320 -0.009 0.000 0.210 62 K C 1.675 178.274 176.600 -0.003 0.000 1.049 62 K CA 1.776 58.066 56.287 0.005 0.000 0.927 62 K CB -0.041 32.418 32.500 -0.070 0.000 0.713 62 K HN 0.064 nan 8.250 nan 0.000 0.443 63 N N 0.981 119.648 118.700 -0.055 0.000 2.270 63 N HA -0.107 4.627 4.740 -0.009 0.000 0.181 63 N C 1.445 176.970 175.510 0.024 0.000 1.016 63 N CA 1.027 54.055 53.050 -0.037 0.000 0.870 63 N CB -0.012 38.422 38.487 -0.090 0.000 0.979 63 N HN 0.382 nan 8.380 nan 0.000 0.431 64 E N 0.292 120.506 120.200 0.024 0.000 2.107 64 E HA -0.027 4.318 4.350 -0.009 0.000 0.191 64 E C 1.665 178.304 176.600 0.064 0.000 0.982 64 E CA 0.462 56.889 56.400 0.045 0.000 0.809 64 E CB 0.110 29.828 29.700 0.030 0.000 0.756 64 E HN 0.251 nan 8.360 nan 0.000 0.459 65 I N 0.979 121.586 120.570 0.061 0.000 2.286 65 I HA -0.190 3.975 4.170 -0.009 0.000 0.248 65 I C 2.278 178.450 176.117 0.092 0.000 1.115 65 I CA 1.060 62.399 61.300 0.066 0.000 1.392 65 I CB -1.261 36.780 38.000 0.068 0.000 1.065 65 I HN -0.038 nan 8.210 nan 0.000 0.418 66 S N 1.243 117.019 115.700 0.127 0.000 2.356 66 S HA -0.100 4.364 4.470 -0.009 0.000 0.223 66 S C 2.303 177.083 174.600 0.300 0.000 1.032 66 S CA 1.392 59.717 58.200 0.208 0.000 1.005 66 S CB -0.334 62.999 63.200 0.222 0.000 0.867 66 S HN 0.558 nan 8.310 nan 0.000 0.449 67 A N 1.260 124.267 122.820 0.312 0.000 1.940 67 A HA -0.204 4.110 4.320 -0.009 0.000 0.219 67 A C 2.027 179.680 177.584 0.115 0.000 1.176 67 A CA 1.894 54.111 52.037 0.299 0.000 0.631 67 A CB -0.618 18.517 19.000 0.225 0.000 0.814 67 A HN 0.622 nan 8.150 nan 0.000 0.446 68 E N -0.729 119.526 120.200 0.091 0.000 2.047 68 E HA -0.185 4.160 4.350 -0.009 0.000 0.191 68 E C 1.909 178.539 176.600 0.051 0.000 0.987 68 E CA 1.304 57.736 56.400 0.054 0.000 0.799 68 E CB -0.197 29.525 29.700 0.036 0.000 0.752 68 E HN 0.454 nan 8.360 nan 0.000 0.449 69 L N 0.771 122.023 121.223 0.048 0.000 2.093 69 L HA -0.038 4.296 4.340 -0.009 0.000 0.208 69 L C 2.195 179.090 176.870 0.041 0.000 1.085 69 L CA 2.028 56.899 54.840 0.052 0.000 0.755 69 L CB -0.665 41.414 42.059 0.034 0.000 0.904 69 L HN 0.177 nan 8.230 nan 0.000 0.435 70 A N -0.447 122.334 122.820 -0.065 0.000 1.883 70 A HA -0.294 4.020 4.320 -0.009 0.000 0.217 70 A C 2.469 179.961 177.584 -0.153 0.000 1.186 70 A CA 2.100 53.983 52.037 -0.257 0.000 0.624 70 A CB -0.671 17.851 19.000 -0.797 0.000 0.822 70 A HN 0.502 nan 8.150 nan 0.000 0.444 71 K N -1.666 118.691 120.400 -0.072 0.000 2.063 71 K HA -0.184 4.130 4.320 -0.009 0.000 0.208 71 K C 1.793 178.407 176.600 0.024 0.000 1.048 71 K CA 1.777 58.053 56.287 -0.019 0.000 0.928 71 K CB -0.323 32.190 32.500 0.021 0.000 0.713 71 K HN 0.446 nan 8.250 nan 0.000 0.442 72 F N 1.080 120.988 119.950 -0.071 0.000 2.186 72 F HA -0.196 4.326 4.527 -0.008 0.000 0.299 72 F C 1.942 177.703 175.800 -0.066 0.000 1.090 72 F CA 1.161 59.123 58.000 -0.063 0.000 1.307 72 F CB -0.056 38.900 39.000 -0.074 0.000 1.019 72 F HN 0.010 nan 8.300 nan 0.000 0.489 73 M N 0.498 120.044 119.600 -0.091 0.000 2.108 73 M HA -0.212 4.262 4.480 -0.009 0.000 0.261 73 M C 2.126 178.315 176.300 -0.186 0.000 1.066 73 M CA 1.509 56.711 55.300 -0.164 0.000 1.107 73 M CB -1.358 31.196 32.600 -0.077 0.000 1.356 73 M HN 0.136 nan 8.290 nan 0.000 0.406 74 K N -0.090 120.224 120.400 -0.144 0.000 2.063 74 K HA -0.213 4.101 4.320 -0.009 0.000 0.208 74 K C 2.047 178.572 176.600 -0.125 0.000 1.048 74 K CA 1.558 57.778 56.287 -0.111 0.000 0.928 74 K CB -0.192 32.257 32.500 -0.085 0.000 0.713 74 K HN 0.419 nan 8.250 nan 0.000 0.442 75 E N 0.408 120.501 120.200 -0.179 0.000 2.110 75 E HA -0.158 4.186 4.350 -0.009 0.000 0.193 75 E C 1.901 178.379 176.600 -0.205 0.000 0.988 75 E CA 0.872 57.163 56.400 -0.180 0.000 0.804 75 E CB 0.229 29.807 29.700 -0.203 0.000 0.745 75 E HN 0.035 nan 8.360 nan 0.000 0.458 76 V N 1.156 120.865 119.914 -0.342 0.000 2.261 76 V HA -0.275 3.840 4.120 -0.009 0.000 0.246 76 V C 2.452 178.511 176.094 -0.060 0.000 1.047 76 V CA 1.878 64.033 62.300 -0.241 0.000 1.015 76 V CB -0.824 30.781 31.823 -0.363 0.000 0.642 76 V HN 0.418 nan 8.190 nan 0.000 0.446 77 A N -0.622 122.156 122.820 -0.070 0.000 1.940 77 A HA -0.270 4.044 4.320 -0.009 0.000 0.219 77 A C 2.568 180.170 177.584 0.031 0.000 1.176 77 A CA 2.407 54.441 52.037 -0.004 0.000 0.631 77 A CB -0.836 18.153 19.000 -0.020 0.000 0.814 77 A HN 0.506 nan 8.150 nan 0.000 0.446 78 S N -0.349 115.350 115.700 -0.002 0.000 2.368 78 S HA -0.186 4.279 4.470 -0.009 0.000 0.225 78 S C 1.604 176.225 174.600 0.035 0.000 1.030 78 S CA 1.713 59.917 58.200 0.007 0.000 0.999 78 S CB -0.510 62.678 63.200 -0.019 0.000 0.844 78 S HN 0.551 nan 8.310 nan 0.000 0.459 79 D N 0.713 121.145 120.400 0.052 0.000 2.264 79 D HA -0.043 4.591 4.640 -0.009 0.000 0.208 79 D C 2.235 178.653 176.300 0.197 0.000 0.966 79 D CA 1.550 55.608 54.000 0.096 0.000 0.864 79 D CB -0.660 40.232 40.800 0.154 0.000 0.933 79 D HN 0.721 nan 8.370 nan 0.000 0.499 80 T N -1.809 112.903 114.554 0.263 0.000 2.881 80 T HA -0.164 4.180 4.350 -0.009 0.000 0.270 80 T C 1.982 176.899 174.700 0.362 0.000 1.068 80 T CA 1.791 64.150 62.100 0.431 0.000 1.131 80 T CB -0.814 68.282 68.868 0.380 0.000 0.871 80 T HN 0.179 nan 8.240 nan 0.000 0.479 81 T N -0.289 114.378 114.554 0.188 0.000 3.007 81 T HA 0.075 4.420 4.350 -0.009 0.000 0.270 81 T C 1.732 176.421 174.700 -0.019 0.000 1.107 81 T CA 0.688 62.833 62.100 0.076 0.000 1.118 81 T CB -0.458 68.425 68.868 0.024 0.000 0.889 81 T HN 0.470 nan 8.240 nan 0.000 0.506 82 K N -0.145 120.221 120.400 -0.058 0.000 2.366 82 K HA 0.215 4.529 4.320 -0.009 0.000 0.198 82 K C -0.324 176.032 176.600 -0.406 0.000 1.044 82 K CA 0.324 56.456 56.287 -0.259 0.000 0.973 82 K CB 0.022 32.294 32.500 -0.380 0.000 0.767 82 K HN 0.389 nan 8.250 nan 0.000 0.475 83 F N 1.308 121.195 119.950 -0.104 0.000 2.421 83 F HA 0.177 4.699 4.527 -0.009 0.000 0.337 83 F C 0.765 176.387 175.800 -0.296 0.000 1.105 83 F CA -0.950 56.951 58.000 -0.164 0.000 1.049 83 F CB 1.331 40.166 39.000 -0.276 0.000 1.139 83 F HN -0.218 nan 8.300 nan 0.000 0.479 84 Q N 4.804 124.513 119.800 -0.151 0.000 2.945 84 Q HA -0.048 4.286 4.340 -0.009 0.000 0.323 84 Q C 1.333 176.821 176.000 -0.854 0.000 1.188 84 Q CA -0.091 55.487 55.803 -0.374 0.000 0.929 84 Q CB -0.378 28.255 28.738 -0.175 0.000 1.531 84 Q HN 0.914 nan 8.270 nan 0.000 0.444 85 W N -0.017 120.666 121.300 -1.028 0.000 2.374 85 W HA -0.132 4.523 4.660 -0.009 0.000 0.288 85 W C 0.774 176.791 176.519 -0.838 0.000 1.218 85 W CA 0.244 56.683 57.345 -1.509 0.000 1.245 85 W CB -0.500 28.153 29.460 -1.346 0.000 1.126 85 W HN 0.234 nan 8.180 nan 0.000 0.545 86 R N 0.894 120.776 120.500 -1.031 0.000 2.241 86 R HA -0.072 4.262 4.340 -0.009 0.000 0.224 86 R C 2.175 178.272 176.300 -0.338 0.000 1.101 86 R CA 1.569 57.252 56.100 -0.694 0.000 0.995 86 R CB -0.277 29.507 30.300 -0.861 0.000 0.870 86 R HN 0.080 nan 8.270 nan 0.000 0.463 87 S N -0.432 115.059 115.700 -0.348 0.000 2.558 87 S HA 0.070 4.535 4.470 -0.009 0.000 0.217 87 S C -0.121 174.532 174.600 0.089 0.000 0.975 87 S CA 0.030 58.156 58.200 -0.123 0.000 0.912 87 S CB 0.051 63.189 63.200 -0.103 0.000 0.776 87 S HN 0.133 nan 8.310 nan 0.000 0.526 88 Y N 2.610 122.916 120.300 0.010 0.000 2.357 88 Y HA 0.200 4.744 4.550 -0.010 0.000 0.340 88 Y C 1.753 177.685 175.900 0.053 0.000 1.260 88 Y CA -1.295 56.834 58.100 0.049 0.000 1.425 88 Y CB 0.295 38.812 38.460 0.094 0.000 1.326 88 Y HN 0.064 nan 8.280 nan 0.000 0.580 89 Q N 0.562 120.488 119.800 0.210 0.000 2.137 89 Q HA -0.053 4.281 4.340 -0.009 0.000 0.198 89 Q C 0.691 176.766 176.000 0.125 0.000 0.960 89 Q CA 0.606 56.483 55.803 0.123 0.000 0.847 89 Q CB -0.125 28.656 28.738 0.070 0.000 0.915 89 Q HN 0.542 nan 8.270 nan 0.000 0.448 90 S N 1.512 117.298 115.700 0.144 0.000 2.455 90 S HA 0.031 4.495 4.470 -0.009 0.000 0.278 90 S C 1.037 175.739 174.600 0.170 0.000 1.216 90 S CA -0.387 57.892 58.200 0.131 0.000 1.055 90 S CB 0.606 63.871 63.200 0.108 0.000 0.939 90 S HN 0.051 nan 8.310 nan 0.000 0.494 91 E N 3.726 124.005 120.200 0.131 0.000 2.160 91 E HA -0.163 4.181 4.350 -0.009 0.000 0.195 91 E C 1.309 177.998 176.600 0.149 0.000 0.991 91 E CA 1.275 57.754 56.400 0.131 0.000 0.810 91 E CB -0.206 29.545 29.700 0.085 0.000 0.742 91 E HN 0.871 nan 8.360 nan 0.000 0.466 92 D N 0.492 120.977 120.400 0.142 0.000 2.097 92 D HA -0.100 4.534 4.640 -0.009 0.000 0.197 92 D C 2.139 178.553 176.300 0.189 0.000 0.984 92 D CA 0.779 54.884 54.000 0.174 0.000 0.826 92 D CB -0.104 40.786 40.800 0.151 0.000 0.973 92 D HN 0.088 nan 8.370 nan 0.000 0.460 93 L N 0.031 121.372 121.223 0.195 0.000 2.017 93 L HA -0.127 4.207 4.340 -0.009 0.000 0.208 93 L C 2.574 179.662 176.870 0.362 0.000 1.073 93 L CA 1.132 56.128 54.840 0.261 0.000 0.745 93 L CB -0.421 41.837 42.059 0.331 0.000 0.894 93 L HN 0.033 nan 8.230 nan 0.000 0.432 94 K N -0.129 120.489 120.400 0.364 0.000 2.063 94 K HA -0.230 4.084 4.320 -0.009 0.000 0.208 94 K C 2.246 178.933 176.600 0.144 0.000 1.048 94 K CA 1.350 57.855 56.287 0.363 0.000 0.928 94 K CB -0.215 32.517 32.500 0.386 0.000 0.713 94 K HN 0.198 nan 8.250 nan 0.000 0.442 95 R N 1.485 122.070 120.500 0.143 0.000 2.081 95 R HA -0.161 4.173 4.340 -0.009 0.000 0.235 95 R C 2.197 178.500 176.300 0.006 0.000 1.131 95 R CA 1.546 57.706 56.100 0.101 0.000 0.960 95 R CB 0.033 30.440 30.300 0.177 0.000 0.856 95 R HN 0.268 nan 8.270 nan 0.000 0.436 96 Q N -0.727 119.041 119.800 -0.053 0.000 2.050 96 Q HA -0.170 4.164 4.340 -0.009 0.000 0.202 96 Q C 1.985 177.748 176.000 -0.395 0.000 0.980 96 Q CA 1.695 57.316 55.803 -0.302 0.000 0.840 96 Q CB -0.137 28.350 28.738 -0.419 0.000 0.898 96 Q HN 0.303 nan 8.270 nan 0.000 0.424 97 F N 1.254 120.933 119.950 -0.453 0.000 2.134 97 F HA -0.192 4.330 4.527 -0.009 0.000 0.299 97 F C 2.427 177.619 175.800 -1.013 0.000 1.097 97 F CA 1.346 58.868 58.000 -0.797 0.000 1.264 97 F CB -0.132 38.166 39.000 -1.170 0.000 1.001 97 F HN -0.028 nan 8.300 nan 0.000 0.479 98 K N 0.211 120.121 120.400 -0.816 0.000 2.032 98 K HA -0.196 4.119 4.320 -0.009 0.000 0.209 98 K C 2.264 178.725 176.600 -0.232 0.000 1.048 98 K CA 1.246 57.215 56.287 -0.529 0.000 0.927 98 K CB -0.350 32.030 32.500 -0.200 0.000 0.712 98 K HN 0.217 nan 8.250 nan 0.000 0.441 99 A N 1.152 123.856 122.820 -0.195 0.000 1.940 99 A HA -0.144 4.170 4.320 -0.009 0.000 0.219 99 A C 2.051 179.552 177.584 -0.138 0.000 1.176 99 A CA 1.312 53.269 52.037 -0.133 0.000 0.631 99 A CB -0.549 18.370 19.000 -0.135 0.000 0.814 99 A HN 0.324 nan 8.150 nan 0.000 0.446 100 L N -0.086 121.018 121.223 -0.197 0.000 2.217 100 L HA -0.117 4.217 4.340 -0.009 0.000 0.211 100 L C 2.838 179.654 176.870 -0.089 0.000 1.107 100 L CA 1.569 56.316 54.840 -0.156 0.000 0.783 100 L CB -0.685 41.246 42.059 -0.213 0.000 0.919 100 L HN 0.662 nan 8.230 nan 0.000 0.442 101 T N -3.193 111.312 114.554 -0.080 0.000 3.035 101 T HA -0.100 4.244 4.350 -0.009 0.000 0.268 101 T C 0.915 175.621 174.700 0.010 0.000 1.109 101 T CA 0.327 62.428 62.100 0.003 0.000 1.119 101 T CB -0.227 68.688 68.868 0.078 0.000 0.900 101 T HN 0.142 nan 8.240 nan 0.000 0.503 102 K N 1.285 121.686 120.400 0.002 0.000 2.273 102 K HA 0.392 4.707 4.320 -0.009 0.000 0.287 102 K C 0.470 177.081 176.600 0.018 0.000 1.089 102 K CA -0.263 56.048 56.287 0.039 0.000 0.909 102 K CB 0.959 33.496 32.500 0.063 0.000 1.123 102 K HN 0.227 nan 8.250 nan 0.000 0.473 103 L N 2.093 123.332 121.223 0.026 0.000 2.307 103 L HA 0.024 4.359 4.340 -0.009 0.000 0.211 103 L C 1.379 178.254 176.870 0.008 0.000 1.099 103 L CA 0.676 55.518 54.840 0.003 0.000 0.816 103 L CB -0.398 41.659 42.059 -0.003 0.000 0.952 103 L HN 1.068 nan 8.230 nan 0.000 0.455 104 G N -0.126 108.690 108.800 0.028 0.000 2.596 104 G HA2 -0.407 3.547 3.960 -0.009 0.000 0.295 104 G HA3 -0.407 3.547 3.960 -0.009 0.000 0.295 104 G C 0.401 175.362 174.900 0.101 0.000 1.240 104 G CA 0.666 45.754 45.100 -0.020 0.000 0.985 104 G HN 0.074 nan 8.290 nan 0.000 0.555 105 Y N 0.871 121.231 120.300 0.100 0.000 2.315 105 Y HA 0.120 4.664 4.550 -0.010 0.000 0.288 105 Y C 3.301 179.277 175.900 0.127 0.000 1.154 105 Y CA 1.570 59.778 58.100 0.181 0.000 1.229 105 Y CB -1.296 37.364 38.460 0.334 0.000 0.980 105 Y HN 0.735 nan 8.280 nan 0.000 0.540 106 A N -0.091 122.781 122.820 0.085 0.000 2.225 106 A HA 0.021 4.336 4.320 -0.009 0.000 0.215 106 A C 2.388 179.909 177.584 -0.105 0.000 1.164 106 A CA 1.225 53.130 52.037 -0.219 0.000 0.710 106 A CB -0.881 17.997 19.000 -0.202 0.000 0.780 106 A HN 0.354 nan 8.150 nan 0.000 0.473 107 A N -0.565 122.260 122.820 0.009 0.000 2.067 107 A HA 0.312 4.626 4.320 -0.009 0.000 0.217 107 A C 1.014 178.612 177.584 0.024 0.000 1.156 107 A CA 0.002 52.047 52.037 0.012 0.000 0.683 107 A CB -0.320 18.702 19.000 0.036 0.000 0.808 107 A HN 0.458 nan 8.150 nan 0.000 0.455 108 L N 0.780 122.043 121.223 0.067 0.000 2.483 108 L HA 0.146 4.481 4.340 -0.009 0.000 0.276 108 L C -2.081 174.821 176.870 0.054 0.000 1.213 108 L CA -1.748 53.140 54.840 0.080 0.000 0.843 108 L CB 0.160 42.311 42.059 0.154 0.000 1.107 108 L HN 0.077 nan 8.230 nan 0.000 0.487 109 P HA -0.062 nan 4.420 nan 0.000 0.269 109 P C 0.435 177.774 177.300 0.066 0.000 1.217 109 P CA -0.078 63.043 63.100 0.035 0.000 0.783 109 P CB 0.499 32.214 31.700 0.025 0.000 0.898 110 E N 1.128 121.360 120.200 0.053 0.000 2.086 110 E HA -0.309 4.035 4.350 -0.009 0.000 0.200 110 E C 0.871 177.531 176.600 0.099 0.000 1.012 110 E CA 1.800 58.247 56.400 0.078 0.000 0.812 110 E CB -0.156 29.573 29.700 0.049 0.000 0.743 110 E HN 0.385 nan 8.360 nan 0.000 0.453 111 D N 0.424 120.860 120.400 0.060 0.000 2.144 111 D HA -0.134 4.501 4.640 -0.009 0.000 0.200 111 D C 1.571 177.893 176.300 0.037 0.000 0.978 111 D CA 0.978 55.003 54.000 0.042 0.000 0.833 111 D CB -0.347 40.466 40.800 0.022 0.000 0.961 111 D HN 0.233 nan 8.370 nan 0.000 0.470 112 D N -0.513 119.914 120.400 0.045 0.000 2.144 112 D HA -0.145 4.489 4.640 -0.009 0.000 0.200 112 D C 1.889 178.211 176.300 0.036 0.000 0.978 112 D CA 0.539 54.555 54.000 0.026 0.000 0.833 112 D CB -0.372 40.443 40.800 0.025 0.000 0.961 112 D HN 0.255 nan 8.370 nan 0.000 0.470 113 Y N 1.565 121.850 120.300 -0.026 0.000 2.181 113 Y HA -0.140 4.404 4.550 -0.010 0.000 0.288 113 Y C 2.224 178.111 175.900 -0.022 0.000 1.146 113 Y CA 1.558 59.646 58.100 -0.021 0.000 1.164 113 Y CB -0.305 38.163 38.460 0.014 0.000 0.982 113 Y HN -0.056 nan 8.280 nan 0.000 0.515 114 A N -0.036 122.788 122.820 0.007 0.000 1.898 114 A HA -0.215 4.099 4.320 -0.009 0.000 0.216 114 A C 2.234 179.749 177.584 -0.115 0.000 1.181 114 A CA 1.766 53.766 52.037 -0.062 0.000 0.620 114 A CB -0.863 18.148 19.000 0.018 0.000 0.819 114 A HN 0.622 nan 8.150 nan 0.000 0.442 115 E N -0.591 119.559 120.200 -0.082 0.000 2.077 115 E HA -0.208 4.136 4.350 -0.009 0.000 0.193 115 E C 1.912 178.436 176.600 -0.126 0.000 0.989 115 E CA 1.361 57.712 56.400 -0.082 0.000 0.800 115 E CB -0.193 29.475 29.700 -0.053 0.000 0.746 115 E HN 0.436 nan 8.360 nan 0.000 0.452 116 L N 1.032 122.142 121.223 -0.188 0.000 2.017 116 L HA -0.172 4.163 4.340 -0.009 0.000 0.208 116 L C 2.180 178.893 176.870 -0.261 0.000 1.073 116 L CA 1.575 56.269 54.840 -0.244 0.000 0.745 116 L CB -0.518 41.324 42.059 -0.362 0.000 0.894 116 L HN 0.231 nan 8.230 nan 0.000 0.432 117 L N -0.659 120.351 121.223 -0.355 0.000 2.042 117 L HA -0.239 4.096 4.340 -0.009 0.000 0.210 117 L C 2.249 179.017 176.870 -0.170 0.000 1.076 117 L CA 1.420 56.087 54.840 -0.287 0.000 0.749 117 L CB -0.851 41.004 42.059 -0.340 0.000 0.893 117 L HN 0.304 nan 8.230 nan 0.000 0.432 118 D N -0.775 119.541 120.400 -0.140 0.000 2.144 118 D HA -0.132 4.503 4.640 -0.009 0.000 0.200 118 D C 2.190 178.453 176.300 -0.062 0.000 0.978 118 D CA 1.494 55.441 54.000 -0.088 0.000 0.833 118 D CB -0.120 40.641 40.800 -0.065 0.000 0.961 118 D HN 0.260 nan 8.370 nan 0.000 0.470 119 T N 1.121 115.636 114.554 -0.065 0.000 2.737 119 T HA -0.037 4.307 4.350 -0.009 0.000 0.265 119 T C 2.257 176.931 174.700 -0.043 0.000 1.038 119 T CA 0.461 62.540 62.100 -0.034 0.000 1.144 119 T CB -0.273 68.584 68.868 -0.018 0.000 0.866 119 T HN 0.105 nan 8.240 nan 0.000 0.434 120 L N 1.612 122.787 121.223 -0.081 0.000 2.013 120 L HA -0.167 4.167 4.340 -0.009 0.000 0.212 120 L C 2.929 179.775 176.870 -0.040 0.000 1.073 120 L CA 1.724 56.507 54.840 -0.094 0.000 0.753 120 L CB -0.848 41.156 42.059 -0.092 0.000 0.890 120 L HN 0.401 nan 8.230 nan 0.000 0.432 121 S N -0.266 115.415 115.700 -0.032 0.000 2.406 121 S HA -0.077 4.388 4.470 -0.009 0.000 0.228 121 S C 2.157 176.803 174.600 0.077 0.000 1.020 121 S CA 0.654 58.868 58.200 0.023 0.000 0.965 121 S CB -0.380 62.760 63.200 -0.100 0.000 0.798 121 S HN 0.355 nan 8.310 nan 0.000 0.488 122 A N 2.120 124.963 122.820 0.038 0.000 1.940 122 A HA 0.045 4.359 4.320 -0.009 0.000 0.219 122 A C 2.338 179.968 177.584 0.076 0.000 1.176 122 A CA 1.696 53.767 52.037 0.058 0.000 0.631 122 A CB -0.710 18.312 19.000 0.037 0.000 0.814 122 A HN 0.578 nan 8.150 nan 0.000 0.446 123 M N -1.680 117.953 119.600 0.055 0.000 2.193 123 M HA -0.081 4.394 4.480 -0.009 0.000 0.265 123 M C 2.233 178.586 176.300 0.088 0.000 1.071 123 M CA 1.730 57.069 55.300 0.064 0.000 1.140 123 M CB -0.313 32.300 32.600 0.021 0.000 1.369 123 M HN 0.606 nan 8.290 nan 0.000 0.423 124 E N 0.492 120.734 120.200 0.071 0.000 2.077 124 E HA -0.182 4.162 4.350 -0.009 0.000 0.193 124 E C 1.989 178.725 176.600 0.226 0.000 0.989 124 E CA 1.822 58.293 56.400 0.118 0.000 0.800 124 E CB 0.132 29.903 29.700 0.119 0.000 0.746 124 E HN 0.487 nan 8.360 nan 0.000 0.452 125 S N 0.501 116.330 115.700 0.215 0.000 2.368 125 S HA -0.194 4.270 4.470 -0.009 0.000 0.224 125 S C 1.950 176.646 174.600 0.160 0.000 1.029 125 S CA 1.136 59.455 58.200 0.197 0.000 0.988 125 S CB -0.607 62.730 63.200 0.229 0.000 0.838 125 S HN 0.346 nan 8.310 nan 0.000 0.462 126 N N 0.898 119.685 118.700 0.146 0.000 2.036 126 N HA -0.206 4.529 4.740 -0.009 0.000 0.195 126 N C 1.668 177.251 175.510 0.123 0.000 1.037 126 N CA 1.816 54.931 53.050 0.109 0.000 0.855 126 N CB -0.504 38.037 38.487 0.090 0.000 1.033 126 N HN 0.510 nan 8.380 nan 0.000 0.423 127 F N 1.578 121.556 119.950 0.047 0.000 2.095 127 F HA -0.131 4.389 4.527 -0.011 0.000 0.298 127 F C 2.459 178.344 175.800 0.142 0.000 1.104 127 F CA 1.884 59.932 58.000 0.081 0.000 1.232 127 F CB -0.459 38.617 39.000 0.126 0.000 0.987 127 F HN 0.143 nan 8.300 nan 0.000 0.475 128 A N -0.382 122.658 122.820 0.367 0.000 2.015 128 A HA -0.142 4.173 4.320 -0.009 0.000 0.219 128 A C 2.029 179.670 177.584 0.096 0.000 1.163 128 A CA 1.452 53.639 52.037 0.251 0.000 0.646 128 A CB -0.525 18.601 19.000 0.210 0.000 0.806 128 A HN 0.465 nan 8.150 nan 0.000 0.448 129 K N -0.262 120.179 120.400 0.068 0.000 2.404 129 K HA 0.220 4.535 4.320 -0.009 0.000 0.194 129 K C -0.340 176.267 176.600 0.012 0.000 1.023 129 K CA -0.253 56.056 56.287 0.036 0.000 1.094 129 K CB 0.402 32.927 32.500 0.042 0.000 0.841 129 K HN 0.236 nan 8.250 nan 0.000 0.523 130 V N 3.291 123.191 119.914 -0.023 0.000 2.557 130 V HA -0.060 4.055 4.120 -0.009 0.000 0.301 130 V C 0.217 176.326 176.094 0.024 0.000 1.026 130 V CA 0.618 62.896 62.300 -0.037 0.000 1.137 130 V CB 0.203 31.948 31.823 -0.129 0.000 0.917 130 V HN 0.132 nan 8.190 nan 0.000 0.484 131 K N 4.195 124.615 120.400 0.034 0.000 2.427 131 K HA 0.697 5.011 4.320 -0.009 0.000 0.252 131 K C -0.736 175.911 176.600 0.078 0.000 0.931 131 K CA -0.530 55.794 56.287 0.062 0.000 0.793 131 K CB 2.422 34.953 32.500 0.052 0.000 1.211 131 K HN 0.531 nan 8.250 nan 0.000 0.426 132 V N -1.796 118.190 119.914 0.121 0.000 3.046 132 V HA 0.609 4.724 4.120 -0.009 0.000 0.316 132 V C -0.072 176.137 176.094 0.192 0.000 1.104 132 V CA -0.894 61.494 62.300 0.146 0.000 1.006 132 V CB 1.790 33.719 31.823 0.177 0.000 1.058 132 V HN 0.796 nan 8.190 nan 0.000 0.440 133 c N 2.264 120.992 118.600 0.213 0.000 2.463 133 c HA 0.369 4.933 4.570 -0.009 0.000 0.380 133 c C 0.459 174.748 174.090 0.330 0.000 1.264 133 c CA -0.172 56.293 56.329 0.228 0.000 2.161 133 c CB -0.046 42.575 42.510 0.185 0.000 2.515 133 c HN 1.023 nan 8.230 nan 0.000 0.565 134 D N 0.519 121.070 120.400 0.252 0.000 2.533 134 D HA -0.106 4.528 4.640 -0.009 0.000 0.236 134 D C 0.601 176.975 176.300 0.124 0.000 1.137 134 D CA 0.328 54.493 54.000 0.275 0.000 0.867 134 D CB 0.340 41.241 40.800 0.168 0.000 1.170 134 D HN 0.694 nan 8.370 nan 0.000 0.474 135 Y N 4.542 124.791 120.300 -0.084 0.000 2.207 135 Y HA -0.176 4.368 4.550 -0.010 0.000 0.287 135 Y C 1.735 177.434 175.900 -0.335 0.000 1.156 135 Y CA 1.714 59.456 58.100 -0.595 0.000 1.182 135 Y CB 0.240 38.423 38.460 -0.462 0.000 0.979 135 Y HN 0.411 nan 8.280 nan 0.000 0.521 136 K N -1.035 119.262 120.400 -0.172 0.000 2.361 136 K HA 0.040 4.354 4.320 -0.009 0.000 0.194 136 K C -0.293 176.225 176.600 -0.137 0.000 1.032 136 K CA 0.597 56.756 56.287 -0.213 0.000 1.048 136 K CB 0.514 32.973 32.500 -0.069 0.000 0.842 136 K HN 0.021 nan 8.250 nan 0.000 0.526 137 D N 0.167 120.521 120.400 -0.076 0.000 2.364 137 D HA 0.023 4.657 4.640 -0.009 0.000 0.251 137 D C 0.419 176.711 176.300 -0.012 0.000 1.282 137 D CA -0.160 53.819 54.000 -0.036 0.000 0.927 137 D CB 0.988 41.789 40.800 0.003 0.000 1.267 137 D HN -0.007 nan 8.370 nan 0.000 0.531 138 S N 0.840 116.519 115.700 -0.035 0.000 2.537 138 S HA -0.121 4.343 4.470 -0.009 0.000 0.240 138 S C 1.560 176.172 174.600 0.021 0.000 0.981 138 S CA 0.990 59.188 58.200 -0.002 0.000 0.948 138 S CB 0.017 63.205 63.200 -0.020 0.000 0.759 138 S HN 0.328 nan 8.310 nan 0.000 0.531 139 T N 1.068 115.631 114.554 0.015 0.000 2.978 139 T HA 0.137 4.482 4.350 -0.009 0.000 0.262 139 T C 0.722 175.443 174.700 0.035 0.000 1.063 139 T CA 0.555 62.667 62.100 0.021 0.000 1.140 139 T CB -0.130 68.745 68.868 0.011 0.000 0.886 139 T HN 0.420 nan 8.240 nan 0.000 0.470 140 K N 1.584 122.011 120.400 0.044 0.000 2.231 140 K HA 0.246 4.560 4.320 -0.009 0.000 0.275 140 K C -0.931 175.719 176.600 0.083 0.000 1.105 140 K CA -0.285 56.037 56.287 0.058 0.000 0.931 140 K CB -0.054 32.482 32.500 0.060 0.000 1.296 140 K HN 0.195 nan 8.250 nan 0.000 0.446 141 c N 3.749 122.394 118.600 0.075 0.000 2.513 141 c HA 0.169 4.734 4.570 -0.009 0.000 0.281 141 c C 0.171 174.308 174.090 0.079 0.000 1.501 141 c CA -0.760 55.622 56.329 0.088 0.000 1.749 141 c CB -0.962 41.593 42.510 0.075 0.000 2.955 141 c HN 0.789 nan 8.230 nan 0.000 0.532 142 D N -0.594 119.852 120.400 0.077 0.000 2.623 142 D HA 0.152 4.787 4.640 -0.009 0.000 0.252 142 D C -0.217 176.122 176.300 0.065 0.000 1.294 142 D CA -0.234 53.803 54.000 0.062 0.000 0.824 142 D CB -0.044 40.784 40.800 0.046 0.000 1.070 142 D HN 0.204 nan 8.370 nan 0.000 0.487 143 L N 1.516 122.794 121.223 0.091 0.000 2.315 143 L HA 0.542 4.877 4.340 -0.009 0.000 0.283 143 L C 0.661 177.572 176.870 0.068 0.000 1.089 143 L CA -0.243 54.648 54.840 0.085 0.000 0.833 143 L CB 1.253 43.395 42.059 0.139 0.000 1.170 143 L HN 0.134 nan 8.230 nan 0.000 0.442 144 A N 2.598 125.439 122.820 0.035 0.000 2.269 144 A HA 0.463 4.777 4.320 -0.009 0.000 0.319 144 A C 0.963 178.535 177.584 -0.019 0.000 1.110 144 A CA -0.554 51.498 52.037 0.025 0.000 0.847 144 A CB 0.562 19.575 19.000 0.022 0.000 1.161 144 A HN 0.722 nan 8.150 nan 0.000 0.497 145 L N 0.098 121.297 121.223 -0.040 0.000 1.990 145 L HA -0.099 4.235 4.340 -0.009 0.000 0.213 145 L C 0.451 177.263 176.870 -0.097 0.000 1.072 145 L CA 2.403 57.142 54.840 -0.168 0.000 0.755 145 L CB -0.208 41.710 42.059 -0.235 0.000 0.889 145 L HN 0.736 nan 8.230 nan 0.000 0.432 146 D N -1.254 119.134 120.400 -0.019 0.000 2.414 146 D HA 0.287 4.921 4.640 -0.009 0.000 0.232 146 D C -2.017 174.285 176.300 0.003 0.000 1.070 146 D CA -2.212 51.790 54.000 0.004 0.000 0.839 146 D CB 1.629 42.455 40.800 0.044 0.000 1.079 146 D HN 0.132 nan 8.370 nan 0.000 0.521 147 P HA 0.158 nan 4.420 nan 0.000 0.268 147 P C 0.688 177.955 177.300 -0.054 0.000 1.248 147 P CA 0.141 63.228 63.100 -0.022 0.000 0.851 147 P CB 1.157 32.852 31.700 -0.008 0.000 1.238 148 E N 0.842 121.009 120.200 -0.055 0.000 2.023 148 E HA -0.130 4.214 4.350 -0.009 0.000 0.196 148 E C 2.043 178.538 176.600 -0.175 0.000 1.003 148 E CA 1.430 57.781 56.400 -0.081 0.000 0.809 148 E CB -0.968 28.709 29.700 -0.038 0.000 0.755 148 E HN 0.242 nan 8.360 nan 0.000 0.449 149 I N 0.815 121.262 120.570 -0.204 0.000 2.252 149 I HA -0.226 3.938 4.170 -0.009 0.000 0.245 149 I C 2.163 178.092 176.117 -0.313 0.000 1.102 149 I CA 1.158 62.254 61.300 -0.340 0.000 1.385 149 I CB -0.317 37.514 38.000 -0.282 0.000 1.064 149 I HN 0.111 nan 8.210 nan 0.000 0.414 150 E N 0.559 120.622 120.200 -0.228 0.000 2.153 150 E HA -0.271 4.073 4.350 -0.009 0.000 0.194 150 E C 1.971 178.496 176.600 -0.124 0.000 0.988 150 E CA 1.093 57.391 56.400 -0.169 0.000 0.811 150 E CB -0.020 29.625 29.700 -0.093 0.000 0.746 150 E HN 0.408 nan 8.360 nan 0.000 0.466 151 E N 0.702 120.829 120.200 -0.121 0.000 2.058 151 E HA -0.176 4.169 4.350 -0.009 0.000 0.194 151 E C 1.958 178.494 176.600 -0.106 0.000 0.997 151 E CA 1.322 57.667 56.400 -0.091 0.000 0.801 151 E CB -0.033 29.621 29.700 -0.077 0.000 0.746 151 E HN 0.012 nan 8.360 nan 0.000 0.450 152 V N 0.890 120.694 119.914 -0.183 0.000 2.270 152 V HA -0.228 3.886 4.120 -0.009 0.000 0.245 152 V C 2.373 178.401 176.094 -0.111 0.000 1.043 152 V CA 1.537 63.729 62.300 -0.180 0.000 1.014 152 V CB -0.514 31.069 31.823 -0.400 0.000 0.645 152 V HN 0.350 nan 8.190 nan 0.000 0.447 153 I N 1.607 122.095 120.570 -0.136 0.000 2.194 153 I HA -0.245 3.920 4.170 -0.009 0.000 0.246 153 I C 2.643 178.738 176.117 -0.038 0.000 1.093 153 I CA 2.454 63.712 61.300 -0.070 0.000 1.355 153 I CB -1.434 36.499 38.000 -0.113 0.000 1.046 153 I HN 0.571 nan 8.210 nan 0.000 0.413 154 S N -0.174 115.501 115.700 -0.042 0.000 2.436 154 S HA -0.035 4.429 4.470 -0.009 0.000 0.228 154 S C 1.792 176.389 174.600 -0.005 0.000 1.014 154 S CA 0.425 58.619 58.200 -0.011 0.000 0.950 154 S CB 0.028 63.224 63.200 -0.006 0.000 0.784 154 S HN 0.473 nan 8.310 nan 0.000 0.504 155 K N 0.721 121.114 120.400 -0.013 0.000 2.367 155 K HA 0.278 4.592 4.320 -0.009 0.000 0.198 155 K C 0.694 177.302 176.600 0.013 0.000 1.132 155 K CA 0.184 56.470 56.287 -0.002 0.000 0.941 155 K CB 0.283 32.779 32.500 -0.007 0.000 1.052 155 K HN 0.261 nan 8.250 nan 0.000 0.507 156 S N 1.308 117.019 115.700 0.018 0.000 2.549 156 S HA 0.066 4.531 4.470 -0.009 0.000 0.283 156 S C 0.591 175.239 174.600 0.080 0.000 1.320 156 S CA -0.258 57.970 58.200 0.048 0.000 1.058 156 S CB 0.431 63.662 63.200 0.051 0.000 0.882 156 S HN 0.125 nan 8.310 nan 0.000 0.498 157 R N 2.690 123.258 120.500 0.114 0.000 2.613 157 R HA 0.232 4.566 4.340 -0.009 0.000 0.361 157 R C -0.622 175.851 176.300 0.289 0.000 1.072 157 R CA -0.301 55.927 56.100 0.214 0.000 1.089 157 R CB -0.452 29.947 30.300 0.165 0.000 1.343 157 R HN 0.588 nan 8.270 nan 0.000 0.571 158 D N 1.075 121.580 120.400 0.177 0.000 2.428 158 D HA 0.001 4.635 4.640 -0.009 0.000 0.221 158 D C 1.200 177.532 176.300 0.053 0.000 1.123 158 D CA -0.320 53.743 54.000 0.104 0.000 0.869 158 D CB 0.623 41.447 40.800 0.040 0.000 1.032 158 D HN 0.358 nan 8.370 nan 0.000 0.506 159 H N 2.137 121.284 119.070 0.128 0.000 2.421 159 H HA -0.028 4.522 4.556 -0.009 0.000 0.298 159 H C 1.082 176.454 175.328 0.074 0.000 1.087 159 H CA 1.320 57.363 56.048 -0.009 0.000 1.330 159 H CB 0.151 29.825 29.762 -0.146 0.000 1.388 159 H HN 0.413 nan 8.280 nan 0.000 0.526 160 E N 0.497 120.495 120.200 -0.338 0.000 2.112 160 E HA -0.146 4.199 4.350 -0.009 0.000 0.190 160 E C 2.074 178.530 176.600 -0.239 0.000 0.979 160 E CA 0.762 57.057 56.400 -0.175 0.000 0.814 160 E CB 0.043 29.643 29.700 -0.166 0.000 0.762 160 E HN 0.736 nan 8.360 nan 0.000 0.460 161 E N 1.386 121.344 120.200 -0.403 0.000 2.051 161 E HA -0.200 4.145 4.350 -0.009 0.000 0.192 161 E C 2.203 178.705 176.600 -0.164 0.000 0.991 161 E CA 0.789 56.733 56.400 -0.759 0.000 0.799 161 E CB -0.030 29.412 29.700 -0.429 0.000 0.748 161 E HN 0.157 nan 8.360 nan 0.000 0.449 162 L N 0.517 121.763 121.223 0.038 0.000 2.013 162 L HA -0.229 4.105 4.340 -0.009 0.000 0.212 162 L C 2.717 179.744 176.870 0.261 0.000 1.073 162 L CA 1.362 56.322 54.840 0.200 0.000 0.753 162 L CB -0.532 41.622 42.059 0.158 0.000 0.890 162 L HN 0.251 nan 8.230 nan 0.000 0.432 163 A N -0.936 121.995 122.820 0.186 0.000 1.933 163 A HA -0.275 4.040 4.320 -0.009 0.000 0.218 163 A C 2.182 179.795 177.584 0.049 0.000 1.175 163 A CA 1.535 53.542 52.037 -0.051 0.000 0.628 163 A CB -0.859 18.002 19.000 -0.231 0.000 0.814 163 A HN 0.509 nan 8.150 nan 0.000 0.444 164 Y N -0.767 119.467 120.300 -0.110 0.000 2.097 164 Y HA -0.293 4.251 4.550 -0.010 0.000 0.282 164 Y C 2.143 177.995 175.900 -0.080 0.000 1.152 164 Y CA 2.146 60.158 58.100 -0.146 0.000 1.136 164 Y CB -0.613 37.643 38.460 -0.339 0.000 0.975 164 Y HN 0.345 nan 8.280 nan 0.000 0.498 165 Y N -1.512 118.781 120.300 -0.013 0.000 2.293 165 Y HA -0.231 4.314 4.550 -0.009 0.000 0.291 165 Y C 2.351 178.274 175.900 0.037 0.000 1.137 165 Y CA 1.550 59.616 58.100 -0.058 0.000 1.202 165 Y CB -1.148 37.342 38.460 0.050 0.000 0.990 165 Y HN 0.404 nan 8.280 nan 0.000 0.537 166 W N 0.942 122.292 121.300 0.084 0.000 2.354 166 W HA -0.218 4.437 4.660 -0.009 0.000 0.315 166 W C 2.787 179.377 176.519 0.120 0.000 1.206 166 W CA 2.255 59.666 57.345 0.110 0.000 1.290 166 W CB -0.275 29.161 29.460 -0.040 0.000 1.152 166 W HN -0.148 nan 8.180 nan 0.000 0.489 167 R N 0.304 121.056 120.500 0.419 0.000 2.073 167 R HA -0.187 4.147 4.340 -0.009 0.000 0.234 167 R C 2.120 178.443 176.300 0.038 0.000 1.134 167 R CA 1.847 58.109 56.100 0.271 0.000 0.952 167 R CB -0.462 29.925 30.300 0.145 0.000 0.850 167 R HN 0.116 nan 8.270 nan 0.000 0.433 168 E N 0.032 120.163 120.200 -0.116 0.000 2.051 168 E HA -0.215 4.130 4.350 -0.009 0.000 0.192 168 E C 1.709 178.287 176.600 -0.037 0.000 0.991 168 E CA 1.118 57.427 56.400 -0.151 0.000 0.799 168 E CB -0.452 29.037 29.700 -0.352 0.000 0.748 168 E HN 0.304 nan 8.360 nan 0.000 0.449 169 F N 0.491 120.368 119.950 -0.121 0.000 2.113 169 F HA -0.223 4.298 4.527 -0.010 0.000 0.297 169 F C 2.172 177.846 175.800 -0.210 0.000 1.103 169 F CA 1.300 59.200 58.000 -0.167 0.000 1.248 169 F CB -0.494 38.379 39.000 -0.211 0.000 0.999 169 F HN -0.032 nan 8.300 nan 0.000 0.475 170 Y N 0.796 120.846 120.300 -0.417 0.000 2.224 170 Y HA -0.216 4.329 4.550 -0.009 0.000 0.289 170 Y C 2.376 178.089 175.900 -0.311 0.000 1.146 170 Y CA 1.702 59.510 58.100 -0.487 0.000 1.182 170 Y CB -0.839 37.172 38.460 -0.748 0.000 0.983 170 Y HN 0.071 nan 8.280 nan 0.000 0.524 171 D N -0.123 120.242 120.400 -0.059 0.000 2.123 171 D HA -0.148 4.486 4.640 -0.009 0.000 0.196 171 D C 1.868 178.110 176.300 -0.097 0.000 0.992 171 D CA 1.499 55.479 54.000 -0.034 0.000 0.833 171 D CB -0.126 40.671 40.800 -0.005 0.000 0.954 171 D HN 0.342 nan 8.370 nan 0.000 0.455 172 K N -0.065 120.220 120.400 -0.191 0.000 2.166 172 K HA 0.189 4.503 4.320 -0.009 0.000 0.201 172 K C 1.935 178.360 176.600 -0.291 0.000 1.052 172 K CA 0.763 56.929 56.287 -0.201 0.000 0.969 172 K CB 0.245 32.636 32.500 -0.182 0.000 0.761 172 K HN -0.012 nan 8.250 nan 0.000 0.459 173 A N 0.708 123.191 122.820 -0.562 0.000 2.081 173 A HA 0.143 4.457 4.320 -0.009 0.000 0.214 173 A C 1.932 179.343 177.584 -0.288 0.000 1.158 173 A CA 1.164 52.862 52.037 -0.565 0.000 0.724 173 A CB -0.169 18.076 19.000 -1.258 0.000 0.826 173 A HN 0.355 nan 8.150 nan 0.000 0.463 174 G N -1.201 107.430 108.800 -0.282 0.000 2.765 174 G HA2 0.114 4.068 3.960 -0.009 0.000 0.218 174 G HA3 0.114 4.068 3.960 -0.009 0.000 0.218 174 G C 1.397 176.309 174.900 0.020 0.000 1.271 174 G CA 1.115 46.120 45.100 -0.159 0.000 0.865 174 G HN 0.266 nan 8.290 nan 0.000 0.604 175 T N 2.297 116.884 114.554 0.055 0.000 2.737 175 T HA -0.098 4.247 4.350 -0.009 0.000 0.269 175 T C 2.643 177.410 174.700 0.112 0.000 1.040 175 T CA 1.682 63.871 62.100 0.147 0.000 1.142 175 T CB -0.403 68.535 68.868 0.117 0.000 0.861 175 T HN 0.372 nan 8.240 nan 0.000 0.456 176 A N 1.164 124.013 122.820 0.049 0.000 2.076 176 A HA 0.003 4.317 4.320 -0.009 0.000 0.220 176 A C 2.176 179.798 177.584 0.065 0.000 1.160 176 A CA 1.500 53.560 52.037 0.039 0.000 0.653 176 A CB -0.597 18.405 19.000 0.003 0.000 0.801 176 A HN 0.581 nan 8.150 nan 0.000 0.455 177 V N -3.612 116.365 119.914 0.104 0.000 3.121 177 V HA 0.299 4.414 4.120 -0.009 0.000 0.344 177 V C 1.476 177.680 176.094 0.185 0.000 1.390 177 V CA 0.335 62.717 62.300 0.136 0.000 1.177 177 V CB -0.567 31.345 31.823 0.148 0.000 1.163 177 V HN 0.507 nan 8.190 nan 0.000 0.484 178 R N 2.253 122.825 120.500 0.120 0.000 2.094 178 R HA -0.190 4.145 4.340 -0.009 0.000 0.239 178 R C 2.463 178.741 176.300 -0.037 0.000 1.137 178 R CA 2.558 58.607 56.100 -0.086 0.000 0.943 178 R CB -0.424 29.752 30.300 -0.206 0.000 0.850 178 R HN 0.783 nan 8.270 nan 0.000 0.433 179 S N 0.045 115.742 115.700 -0.005 0.000 2.382 179 S HA -0.183 4.281 4.470 -0.009 0.000 0.228 179 S C 1.908 176.544 174.600 0.060 0.000 1.027 179 S CA 1.195 59.395 58.200 0.000 0.000 0.991 179 S CB -0.246 62.949 63.200 -0.009 0.000 0.823 179 S HN 0.398 nan 8.310 nan 0.000 0.469 180 Q N 0.368 120.228 119.800 0.100 0.000 2.084 180 Q HA 0.120 4.454 4.340 -0.009 0.000 0.202 180 Q C 1.805 177.930 176.000 0.207 0.000 0.978 180 Q CA 1.573 57.449 55.803 0.122 0.000 0.844 180 Q CB -0.620 28.185 28.738 0.111 0.000 0.898 180 Q HN 0.654 nan 8.270 nan 0.000 0.426 181 F N 1.395 121.438 119.950 0.155 0.000 2.134 181 F HA -0.186 4.335 4.527 -0.010 0.000 0.299 181 F C 1.819 177.839 175.800 0.367 0.000 1.097 181 F CA 1.452 59.640 58.000 0.312 0.000 1.264 181 F CB 0.081 39.315 39.000 0.389 0.000 1.001 181 F HN 0.089 nan 8.300 nan 0.000 0.479 182 E N -0.469 119.939 120.200 0.347 0.000 2.058 182 E HA -0.289 4.056 4.350 -0.009 0.000 0.194 182 E C 2.229 178.893 176.600 0.108 0.000 0.997 182 E CA 1.262 57.805 56.400 0.239 0.000 0.801 182 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 182 E HN 0.116 nan 8.360 nan 0.000 0.450 183 R N 0.470 121.009 120.500 0.065 0.000 2.092 183 R HA -0.169 4.165 4.340 -0.009 0.000 0.231 183 R C 2.112 178.409 176.300 -0.005 0.000 1.119 183 R CA 1.335 57.445 56.100 0.017 0.000 0.970 183 R CB -0.782 29.525 30.300 0.012 0.000 0.864 183 R HN 0.325 nan 8.270 nan 0.000 0.440 184 Y N -0.184 120.042 120.300 -0.124 0.000 2.145 184 Y HA -0.155 4.390 4.550 -0.009 0.000 0.286 184 Y C 1.768 177.545 175.900 -0.206 0.000 1.145 184 Y CA 1.792 59.769 58.100 -0.206 0.000 1.148 184 Y CB -0.584 37.721 38.460 -0.258 0.000 0.981 184 Y HN -0.119 nan 8.280 nan 0.000 0.507 185 V N 1.244 120.832 119.914 -0.543 0.000 2.287 185 V HA -0.326 3.789 4.120 -0.009 0.000 0.248 185 V C 2.297 178.249 176.094 -0.236 0.000 1.053 185 V CA 2.389 64.435 62.300 -0.423 0.000 1.027 185 V CB -0.733 31.050 31.823 -0.068 0.000 0.646 185 V HN 0.471 nan 8.190 nan 0.000 0.447 186 E N -0.103 120.027 120.200 -0.117 0.000 2.058 186 E HA -0.214 4.130 4.350 -0.009 0.000 0.194 186 E C 2.197 178.713 176.600 -0.142 0.000 0.997 186 E CA 1.461 57.809 56.400 -0.086 0.000 0.801 186 E CB -0.207 29.465 29.700 -0.046 0.000 0.746 186 E HN 0.506 nan 8.360 nan 0.000 0.450 187 L N 1.163 122.276 121.223 -0.183 0.000 2.179 187 L HA -0.117 4.217 4.340 -0.009 0.000 0.208 187 L C 2.462 179.172 176.870 -0.267 0.000 1.096 187 L CA 0.453 55.177 54.840 -0.193 0.000 0.779 187 L CB -0.442 41.505 42.059 -0.187 0.000 0.922 187 L HN 0.214 nan 8.230 nan 0.000 0.443 188 N N 0.105 118.558 118.700 -0.412 0.000 2.104 188 N HA -0.182 4.553 4.740 -0.009 0.000 0.190 188 N C 1.614 176.900 175.510 -0.372 0.000 1.024 188 N CA 2.174 54.948 53.050 -0.460 0.000 0.853 188 N CB 0.041 38.021 38.487 -0.845 0.000 1.008 188 N HN 0.232 nan 8.380 nan 0.000 0.424 189 T N 1.040 115.391 114.554 -0.338 0.000 2.737 189 T HA -0.107 4.238 4.350 -0.009 0.000 0.265 189 T C 1.910 176.536 174.700 -0.123 0.000 1.038 189 T CA 1.146 63.113 62.100 -0.221 0.000 1.144 189 T CB -0.124 68.664 68.868 -0.133 0.000 0.866 189 T HN 0.352 nan 8.240 nan 0.000 0.434 190 K N 1.124 121.463 120.400 -0.101 0.000 2.063 190 K HA -0.081 4.233 4.320 -0.009 0.000 0.208 190 K C 2.500 179.085 176.600 -0.024 0.000 1.048 190 K CA 1.287 57.542 56.287 -0.054 0.000 0.928 190 K CB -0.337 32.133 32.500 -0.049 0.000 0.713 190 K HN 0.284 nan 8.250 nan 0.000 0.442 191 A N 1.041 123.852 122.820 -0.015 0.000 1.877 191 A HA -0.120 4.194 4.320 -0.009 0.000 0.216 191 A C 2.354 179.979 177.584 0.067 0.000 1.186 191 A CA 1.949 54.028 52.037 0.069 0.000 0.620 191 A CB -0.942 18.183 19.000 0.209 0.000 0.822 191 A HN 0.491 nan 8.150 nan 0.000 0.443 192 A N -0.219 122.610 122.820 0.015 0.000 1.908 192 A HA -0.205 4.109 4.320 -0.009 0.000 0.218 192 A C 2.123 179.769 177.584 0.103 0.000 1.181 192 A CA 1.963 54.035 52.037 0.059 0.000 0.627 192 A CB -0.469 18.485 19.000 -0.077 0.000 0.818 192 A HN 0.559 nan 8.150 nan 0.000 0.445 193 K N -0.573 119.844 120.400 0.028 0.000 2.148 193 K HA 0.047 4.361 4.320 -0.009 0.000 0.204 193 K C 1.732 178.331 176.600 -0.001 0.000 1.050 193 K CA 1.064 57.357 56.287 0.011 0.000 0.942 193 K CB -0.312 32.183 32.500 -0.008 0.000 0.724 193 K HN 0.454 nan 8.250 nan 0.000 0.446 194 L N 1.255 122.484 121.223 0.010 0.000 2.275 194 L HA -0.146 4.188 4.340 -0.009 0.000 0.215 194 L C 1.383 178.250 176.870 -0.006 0.000 1.119 194 L CA 0.770 55.612 54.840 0.003 0.000 0.790 194 L CB -0.200 41.869 42.059 0.015 0.000 0.919 194 L HN 0.234 nan 8.230 nan 0.000 0.443 195 N N 0.085 118.794 118.700 0.015 0.000 2.322 195 N HA -0.021 4.713 4.740 -0.009 0.000 0.194 195 N C -0.035 175.337 175.510 -0.231 0.000 1.126 195 N CA 0.108 53.138 53.050 -0.032 0.000 0.845 195 N CB 0.238 38.805 38.487 0.133 0.000 0.976 195 N HN 0.211 nan 8.380 nan 0.000 0.475 196 N N 0.161 118.766 118.700 -0.157 0.000 2.741 196 N HA -0.182 4.552 4.740 -0.009 0.000 0.250 196 N C -0.900 174.429 175.510 -0.303 0.000 1.115 196 N CA 0.730 53.657 53.050 -0.204 0.000 0.724 196 N CB -1.771 36.591 38.487 -0.208 0.000 1.090 196 N HN 0.203 nan 8.380 nan 0.000 0.558 197 F N 0.061 119.988 119.950 -0.038 0.000 2.371 197 F HA 0.254 4.775 4.527 -0.009 0.000 0.329 197 F C 2.326 178.092 175.800 -0.057 0.000 1.107 197 F CA -0.339 57.633 58.000 -0.048 0.000 1.137 197 F CB 0.592 39.553 39.000 -0.066 0.000 1.214 197 F HN -0.185 nan 8.300 nan 0.000 0.536 198 T N -0.296 114.346 114.554 0.146 0.000 2.788 198 T HA -0.046 4.299 4.350 -0.009 0.000 0.268 198 T C 0.519 175.234 174.700 0.025 0.000 1.044 198 T CA 1.539 63.673 62.100 0.056 0.000 1.139 198 T CB -0.230 68.661 68.868 0.038 0.000 0.867 198 T HN 0.641 nan 8.240 nan 0.000 0.454 199 S N -1.450 114.254 115.700 0.006 0.000 2.661 199 S HA 0.553 5.017 4.470 -0.009 0.000 0.268 199 S C 1.152 175.614 174.600 -0.230 0.000 1.162 199 S CA -0.242 57.904 58.200 -0.089 0.000 0.817 199 S CB 1.021 64.198 63.200 -0.038 0.000 1.141 199 S HN 0.094 nan 8.310 nan 0.000 0.477 200 G N 0.479 108.979 108.800 -0.502 0.000 2.448 200 G HA2 0.147 4.101 3.960 -0.009 0.000 0.219 200 G HA3 0.147 4.101 3.960 -0.009 0.000 0.219 200 G C 1.443 175.954 174.900 -0.649 0.000 1.127 200 G CA 1.085 45.643 45.100 -0.905 0.000 0.766 200 G HN 1.304 nan 8.290 nan 0.000 0.552 201 A N 1.094 123.805 122.820 -0.181 0.000 1.883 201 A HA -0.040 4.275 4.320 -0.009 0.000 0.217 201 A C 2.210 179.656 177.584 -0.230 0.000 1.186 201 A CA 2.119 54.099 52.037 -0.094 0.000 0.624 201 A CB -0.363 18.515 19.000 -0.204 0.000 0.822 201 A HN 0.331 nan 8.150 nan 0.000 0.444 202 E N -0.029 120.030 120.200 -0.235 0.000 2.106 202 E HA 0.033 4.378 4.350 -0.009 0.000 0.192 202 E C 2.197 178.469 176.600 -0.547 0.000 0.984 202 E CA 1.179 57.447 56.400 -0.218 0.000 0.806 202 E CB -0.464 29.235 29.700 -0.000 0.000 0.750 202 E HN 0.579 nan 8.360 nan 0.000 0.458 203 A N 0.374 122.725 122.820 -0.782 0.000 1.877 203 A HA -0.183 4.131 4.320 -0.009 0.000 0.216 203 A C 1.731 179.058 177.584 -0.429 0.000 1.186 203 A CA 1.302 52.667 52.037 -1.121 0.000 0.620 203 A CB -0.911 17.667 19.000 -0.704 0.000 0.822 203 A HN 0.310 nan 8.150 nan 0.000 0.443 204 W N -0.038 121.099 121.300 -0.271 0.000 2.355 204 W HA -0.043 4.612 4.660 -0.009 0.000 0.309 204 W C 2.087 178.592 176.519 -0.022 0.000 1.206 204 W CA 0.796 58.101 57.345 -0.066 0.000 1.284 204 W CB -1.299 28.280 29.460 0.198 0.000 1.145 204 W HN 0.261 nan 8.180 nan 0.000 0.502 205 L N -0.001 121.363 121.223 0.235 0.000 2.265 205 L HA -0.209 4.125 4.340 -0.009 0.000 0.215 205 L C 1.996 178.943 176.870 0.129 0.000 1.117 205 L CA 1.572 56.562 54.840 0.250 0.000 0.782 205 L CB -0.778 41.327 42.059 0.077 0.000 0.914 205 L HN -0.087 nan 8.230 nan 0.000 0.441 206 D N 0.043 120.418 120.400 -0.041 0.000 2.221 206 D HA -0.211 4.423 4.640 -0.009 0.000 0.204 206 D C 1.969 178.233 176.300 -0.061 0.000 0.982 206 D CA 0.873 54.857 54.000 -0.025 0.000 0.857 206 D CB 0.185 40.926 40.800 -0.098 0.000 0.934 206 D HN 0.172 nan 8.370 nan 0.000 0.475 207 E N -0.647 119.439 120.200 -0.189 0.000 2.333 207 E HA -0.182 4.162 4.350 -0.009 0.000 0.198 207 E C 1.100 177.398 176.600 -0.505 0.000 1.007 207 E CA 0.694 56.868 56.400 -0.375 0.000 0.845 207 E CB -0.288 29.082 29.700 -0.551 0.000 0.766 207 E HN 0.629 nan 8.360 nan 0.000 0.507 208 Y N 0.434 120.614 120.300 -0.201 0.000 2.457 208 Y HA 0.135 4.680 4.550 -0.009 0.000 0.263 208 Y C 0.321 176.217 175.900 -0.008 0.000 1.164 208 Y CA -0.169 57.716 58.100 -0.357 0.000 1.274 208 Y CB 0.106 37.852 38.460 -1.190 0.000 1.097 208 Y HN -0.060 nan 8.280 nan 0.000 0.523 209 E N 1.554 121.824 120.200 0.117 0.000 2.269 209 E HA -0.264 4.080 4.350 -0.009 0.000 0.223 209 E C -0.904 175.798 176.600 0.169 0.000 1.244 209 E CA 0.863 57.340 56.400 0.129 0.000 0.713 209 E CB -1.043 28.712 29.700 0.092 0.000 1.178 209 E HN 0.320 nan 8.360 nan 0.000 0.370 210 D N 0.259 120.781 120.400 0.204 0.000 2.548 210 D HA 0.023 4.658 4.640 -0.009 0.000 0.214 210 D C 0.118 176.571 176.300 0.256 0.000 1.345 210 D CA -0.391 53.766 54.000 0.262 0.000 0.945 210 D CB 0.809 41.891 40.800 0.470 0.000 1.499 210 D HN 0.032 nan 8.370 nan 0.000 0.579 211 D N 1.278 121.788 120.400 0.184 0.000 2.371 211 D HA -0.105 4.530 4.640 -0.009 0.000 0.221 211 D C 1.165 177.560 176.300 0.160 0.000 0.986 211 D CA 0.686 54.779 54.000 0.154 0.000 0.899 211 D CB -0.219 40.647 40.800 0.110 0.000 0.902 211 D HN 0.319 nan 8.370 nan 0.000 0.530 212 T N -4.335 110.339 114.554 0.199 0.000 3.174 212 T HA 0.174 4.519 4.350 -0.009 0.000 0.269 212 T C 1.127 175.954 174.700 0.213 0.000 1.017 212 T CA -0.714 61.490 62.100 0.173 0.000 0.899 212 T CB -0.825 68.126 68.868 0.138 0.000 1.077 212 T HN -0.050 nan 8.240 nan 0.000 0.552 213 F N 2.698 122.712 119.950 0.107 0.000 2.134 213 F HA 0.038 4.560 4.527 -0.010 0.000 0.299 213 F C 2.115 177.949 175.800 0.057 0.000 1.097 213 F CA 1.457 59.511 58.000 0.090 0.000 1.264 213 F CB -0.083 38.968 39.000 0.085 0.000 1.001 213 F HN 0.247 nan 8.300 nan 0.000 0.479 214 E N -0.698 119.594 120.200 0.153 0.000 2.051 214 E HA -0.307 4.038 4.350 -0.009 0.000 0.192 214 E C 2.104 178.774 176.600 0.115 0.000 0.991 214 E CA 1.385 57.866 56.400 0.136 0.000 0.799 214 E CB -0.310 29.453 29.700 0.104 0.000 0.748 214 E HN 0.293 nan 8.360 nan 0.000 0.449 215 Q N 1.107 120.963 119.800 0.093 0.000 2.096 215 Q HA -0.210 4.124 4.340 -0.009 0.000 0.204 215 Q C 1.943 177.974 176.000 0.052 0.000 0.982 215 Q CA 1.704 57.561 55.803 0.089 0.000 0.850 215 Q CB -0.068 28.719 28.738 0.082 0.000 0.901 215 Q HN 0.290 nan 8.270 nan 0.000 0.422 216 Q N -0.614 119.177 119.800 -0.014 0.000 2.096 216 Q HA -0.155 4.179 4.340 -0.009 0.000 0.204 216 Q C 2.121 178.045 176.000 -0.127 0.000 0.982 216 Q CA 1.591 57.350 55.803 -0.074 0.000 0.850 216 Q CB -0.157 28.498 28.738 -0.138 0.000 0.901 216 Q HN 0.396 nan 8.270 nan 0.000 0.422 217 L N 0.492 121.581 121.223 -0.224 0.000 2.093 217 L HA -0.179 4.155 4.340 -0.009 0.000 0.208 217 L C 2.366 179.258 176.870 0.036 0.000 1.085 217 L CA 0.773 55.464 54.840 -0.248 0.000 0.755 217 L CB -0.364 41.411 42.059 -0.474 0.000 0.904 217 L HN 0.183 nan 8.230 nan 0.000 0.435 218 E N 0.325 120.663 120.200 0.230 0.000 2.058 218 E HA -0.228 4.116 4.350 -0.009 0.000 0.194 218 E C 1.774 178.533 176.600 0.265 0.000 0.997 218 E CA 1.435 58.056 56.400 0.368 0.000 0.801 218 E CB -0.304 29.565 29.700 0.282 0.000 0.746 218 E HN 0.501 nan 8.360 nan 0.000 0.450 219 D N 0.567 121.054 120.400 0.144 0.000 2.097 219 D HA -0.108 4.527 4.640 -0.009 0.000 0.195 219 D C 2.194 178.542 176.300 0.081 0.000 0.989 219 D CA 0.717 54.775 54.000 0.097 0.000 0.827 219 D CB -0.348 40.488 40.800 0.060 0.000 0.966 219 D HN 0.194 nan 8.370 nan 0.000 0.456 220 I N 0.090 120.695 120.570 0.057 0.000 2.202 220 I HA -0.239 3.925 4.170 -0.009 0.000 0.242 220 I C 2.227 178.391 176.117 0.077 0.000 1.091 220 I CA 0.612 61.931 61.300 0.033 0.000 1.368 220 I CB -0.188 37.797 38.000 -0.025 0.000 1.058 220 I HN -0.109 nan 8.210 nan 0.000 0.410 221 F N 1.905 121.859 119.950 0.006 0.000 2.126 221 F HA -0.268 4.253 4.527 -0.010 0.000 0.299 221 F C 2.469 178.328 175.800 0.098 0.000 1.096 221 F CA 1.437 59.479 58.000 0.070 0.000 1.255 221 F CB -0.440 38.690 39.000 0.217 0.000 0.997 221 F HN 0.019 nan 8.300 nan 0.000 0.479 222 A N -0.129 122.729 122.820 0.063 0.000 1.978 222 A HA -0.213 4.102 4.320 -0.009 0.000 0.220 222 A C 1.948 179.472 177.584 -0.100 0.000 1.170 222 A CA 2.052 54.065 52.037 -0.040 0.000 0.636 222 A CB -0.942 18.099 19.000 0.067 0.000 0.810 222 A HN 0.467 nan 8.150 nan 0.000 0.448 223 D N -0.134 120.229 120.400 -0.062 0.000 2.149 223 D HA -0.077 4.558 4.640 -0.009 0.000 0.201 223 D C 1.688 177.937 176.300 -0.086 0.000 0.972 223 D CA 0.951 54.919 54.000 -0.053 0.000 0.835 223 D CB -0.135 40.654 40.800 -0.018 0.000 0.966 223 D HN 0.419 nan 8.370 nan 0.000 0.476 224 I N 0.165 120.651 120.570 -0.139 0.000 3.228 224 I HA 0.046 4.211 4.170 -0.009 0.000 0.279 224 I C 2.250 178.250 176.117 -0.195 0.000 1.221 224 I CA 0.179 61.395 61.300 -0.139 0.000 1.458 224 I CB -0.743 37.190 38.000 -0.112 0.000 1.105 224 I HN -0.054 nan 8.210 nan 0.000 0.445 225 R N 1.760 122.034 120.500 -0.378 0.000 2.103 225 R HA -0.172 4.163 4.340 -0.009 0.000 0.242 225 R C -0.458 175.794 176.300 -0.081 0.000 1.142 225 R CA 2.021 57.900 56.100 -0.368 0.000 0.960 225 R CB -0.980 28.995 30.300 -0.542 0.000 0.858 225 R HN 0.210 nan 8.270 nan 0.000 0.439 226 P HA -0.162 nan 4.420 nan 0.000 0.216 226 P C 1.175 178.479 177.300 0.007 0.000 1.150 226 P CA 0.875 63.957 63.100 -0.030 0.000 0.837 226 P CB -0.076 31.602 31.700 -0.038 0.000 0.786 227 L N -1.445 119.782 121.223 0.006 0.000 2.046 227 L HA -0.172 4.162 4.340 -0.009 0.000 0.208 227 L C 2.351 179.252 176.870 0.053 0.000 1.077 227 L CA 1.766 56.620 54.840 0.024 0.000 0.747 227 L CB -1.602 40.454 42.059 -0.005 0.000 0.896 227 L HN -0.080 nan 8.230 nan 0.000 0.432 228 Y N 0.145 120.424 120.300 -0.035 0.000 2.165 228 Y HA -0.278 4.266 4.550 -0.010 0.000 0.286 228 Y C 2.505 178.503 175.900 0.164 0.000 1.155 228 Y CA 2.077 60.192 58.100 0.026 0.000 1.164 228 Y CB -0.270 38.206 38.460 0.026 0.000 0.978 228 Y HN 0.355 nan 8.280 nan 0.000 0.513 229 Q N 0.027 119.859 119.800 0.053 0.000 2.096 229 Q HA -0.226 4.108 4.340 -0.009 0.000 0.204 229 Q C 2.058 178.109 176.000 0.086 0.000 0.982 229 Q CA 1.647 57.487 55.803 0.063 0.000 0.850 229 Q CB -0.464 28.300 28.738 0.043 0.000 0.901 229 Q HN 0.615 nan 8.270 nan 0.000 0.422 230 Q N 0.216 120.058 119.800 0.068 0.000 2.079 230 Q HA -0.035 4.299 4.340 -0.009 0.000 0.200 230 Q C 2.311 178.430 176.000 0.198 0.000 0.974 230 Q CA 0.864 56.733 55.803 0.110 0.000 0.840 230 Q CB -0.216 28.570 28.738 0.081 0.000 0.898 230 Q HN 0.440 nan 8.270 nan 0.000 0.430 231 I N 0.356 121.018 120.570 0.152 0.000 2.202 231 I HA -0.271 3.894 4.170 -0.009 0.000 0.242 231 I C 2.668 178.973 176.117 0.312 0.000 1.091 231 I CA 1.123 62.566 61.300 0.237 0.000 1.368 231 I CB -0.492 37.514 38.000 0.010 0.000 1.058 231 I HN 0.303 nan 8.210 nan 0.000 0.410 232 H N 1.347 120.419 119.070 0.002 0.000 2.289 232 H HA -0.181 4.369 4.556 -0.010 0.000 0.296 232 H C 2.160 177.603 175.328 0.192 0.000 1.091 232 H CA 2.222 58.327 56.048 0.095 0.000 1.274 232 H CB -0.434 29.234 29.762 -0.157 0.000 1.364 232 H HN 0.342 nan 8.280 nan 0.000 0.490 233 G N -0.595 108.433 108.800 0.380 0.000 2.446 233 G HA2 -0.337 3.617 3.960 -0.009 0.000 0.217 233 G HA3 -0.337 3.617 3.960 -0.009 0.000 0.217 233 G C 1.824 176.888 174.900 0.273 0.000 1.168 233 G CA 0.932 46.221 45.100 0.314 0.000 0.771 233 G HN 0.570 nan 8.290 nan 0.000 0.551 234 Y N 0.720 121.150 120.300 0.217 0.000 2.200 234 Y HA -0.067 4.477 4.550 -0.010 0.000 0.290 234 Y C 2.899 178.987 175.900 0.314 0.000 1.137 234 Y CA 1.408 59.673 58.100 0.276 0.000 1.163 234 Y CB -0.070 38.560 38.460 0.284 0.000 0.988 234 Y HN 0.044 nan 8.280 nan 0.000 0.518 235 V N 0.908 121.034 119.914 0.352 0.000 2.295 235 V HA -0.328 3.786 4.120 -0.009 0.000 0.246 235 V C 2.492 178.550 176.094 -0.059 0.000 1.049 235 V CA 2.329 64.737 62.300 0.178 0.000 1.024 235 V CB -0.710 31.254 31.823 0.236 0.000 0.648 235 V HN 0.379 nan 8.190 nan 0.000 0.447 236 R N -0.469 119.971 120.500 -0.100 0.000 2.091 236 R HA -0.228 4.106 4.340 -0.009 0.000 0.238 236 R C 2.303 178.584 176.300 -0.033 0.000 1.136 236 R CA 2.201 58.226 56.100 -0.125 0.000 0.959 236 R CB -0.512 29.713 30.300 -0.123 0.000 0.856 236 R HN 0.473 nan 8.270 nan 0.000 0.437 237 F N 1.658 121.530 119.950 -0.131 0.000 2.091 237 F HA -0.212 4.309 4.527 -0.009 0.000 0.299 237 F C 2.076 177.754 175.800 -0.204 0.000 1.103 237 F CA 1.615 59.520 58.000 -0.159 0.000 1.228 237 F CB -0.174 38.706 39.000 -0.200 0.000 0.984 237 F HN -0.058 nan 8.300 nan 0.000 0.477 238 R N 0.598 120.778 120.500 -0.533 0.000 2.115 238 R HA -0.029 4.305 4.340 -0.009 0.000 0.226 238 R C 2.392 178.502 176.300 -0.317 0.000 1.100 238 R CA 1.222 56.970 56.100 -0.586 0.000 0.980 238 R CB -1.126 28.921 30.300 -0.423 0.000 0.875 238 R HN 0.415 nan 8.270 nan 0.000 0.445 239 L N 0.135 121.244 121.223 -0.190 0.000 2.141 239 L HA -0.098 4.237 4.340 -0.009 0.000 0.209 239 L C 2.566 179.433 176.870 -0.005 0.000 1.094 239 L CA 1.161 55.973 54.840 -0.047 0.000 0.763 239 L CB -0.279 41.744 42.059 -0.061 0.000 0.908 239 L HN 0.104 nan 8.230 nan 0.000 0.437 240 R N 0.152 120.588 120.500 -0.105 0.000 2.096 240 R HA -0.155 4.179 4.340 -0.009 0.000 0.235 240 R C 2.252 178.476 176.300 -0.127 0.000 1.127 240 R CA 1.221 57.266 56.100 -0.092 0.000 0.968 240 R CB -0.159 30.087 30.300 -0.089 0.000 0.861 240 R HN 0.332 nan 8.270 nan 0.000 0.440 241 K N -0.962 119.297 120.400 -0.235 0.000 2.148 241 K HA -0.185 4.129 4.320 -0.009 0.000 0.204 241 K C 1.899 178.399 176.600 -0.167 0.000 1.050 241 K CA 1.427 57.573 56.287 -0.235 0.000 0.942 241 K CB -0.149 32.135 32.500 -0.361 0.000 0.724 241 K HN 0.296 nan 8.250 nan 0.000 0.446 242 H N -0.902 118.021 119.070 -0.246 0.000 2.329 242 H HA -0.041 4.509 4.556 -0.009 0.000 0.306 242 H C 1.192 176.303 175.328 -0.362 0.000 1.062 242 H CA 1.576 57.427 56.048 -0.328 0.000 1.364 242 H CB 0.224 29.727 29.762 -0.432 0.000 1.409 242 H HN 0.123 nan 8.280 nan 0.000 0.519 243 Y N -0.264 120.008 120.300 -0.046 0.000 2.497 243 Y HA 0.276 4.820 4.550 -0.010 0.000 0.265 243 Y C 1.284 177.090 175.900 -0.157 0.000 1.111 243 Y CA 0.558 58.593 58.100 -0.108 0.000 1.288 243 Y CB 0.603 38.990 38.460 -0.122 0.000 1.082 243 Y HN 0.480 nan 8.280 nan 0.000 0.536 244 G N 0.529 109.321 108.800 -0.012 0.000 2.730 244 G HA2 -0.259 3.695 3.960 -0.009 0.000 0.686 244 G HA3 -0.259 3.695 3.960 -0.009 0.000 0.686 244 G C -0.351 174.518 174.900 -0.051 0.000 1.343 244 G CA -0.174 44.896 45.100 -0.049 0.000 0.826 244 G HN 0.234 nan 8.290 nan 0.000 0.582 245 D N 0.332 120.700 120.400 -0.054 0.000 2.347 245 D HA 0.293 4.928 4.640 -0.009 0.000 0.215 245 D C 2.531 178.792 176.300 -0.066 0.000 0.976 245 D CA 1.639 55.606 54.000 -0.055 0.000 0.884 245 D CB -0.005 40.770 40.800 -0.041 0.000 0.915 245 D HN 0.859 nan 8.370 nan 0.000 0.526 246 A N -0.019 122.757 122.820 -0.072 0.000 2.015 246 A HA -0.079 4.235 4.320 -0.009 0.000 0.219 246 A C 2.123 179.633 177.584 -0.123 0.000 1.163 246 A CA 0.934 52.923 52.037 -0.081 0.000 0.646 246 A CB -0.180 18.781 19.000 -0.066 0.000 0.806 246 A HN 0.176 nan 8.150 nan 0.000 0.448 247 V N -1.179 118.634 119.914 -0.168 0.000 2.575 247 V HA 0.058 4.173 4.120 -0.009 0.000 0.242 247 V C 0.408 176.382 176.094 -0.200 0.000 1.045 247 V CA 0.849 62.998 62.300 -0.252 0.000 1.065 247 V CB 0.283 31.852 31.823 -0.425 0.000 0.717 247 V HN 0.184 nan 8.190 nan 0.000 0.467 248 V N 1.469 121.295 119.914 -0.147 0.000 2.483 248 V HA 0.505 4.619 4.120 -0.009 0.000 0.297 248 V C -0.005 176.041 176.094 -0.080 0.000 1.027 248 V CA -0.514 61.711 62.300 -0.126 0.000 0.855 248 V CB 1.601 33.352 31.823 -0.120 0.000 0.995 248 V HN 0.430 nan 8.190 nan 0.000 0.424 249 S N 2.488 118.148 115.700 -0.067 0.000 2.632 249 S HA 0.319 4.783 4.470 -0.009 0.000 0.271 249 S C 0.908 175.499 174.600 -0.014 0.000 1.260 249 S CA -0.130 58.046 58.200 -0.041 0.000 1.010 249 S CB 1.683 64.862 63.200 -0.036 0.000 0.965 249 S HN 0.840 nan 8.310 nan 0.000 0.534 250 E N 0.684 120.875 120.200 -0.016 0.000 2.106 250 E HA -0.137 4.208 4.350 -0.009 0.000 0.192 250 E C 1.416 178.024 176.600 0.013 0.000 0.984 250 E CA 1.629 58.032 56.400 0.004 0.000 0.806 250 E CB -0.195 29.483 29.700 -0.036 0.000 0.750 250 E HN 0.932 nan 8.360 nan 0.000 0.458 251 T N -3.114 111.413 114.554 -0.044 0.000 3.023 251 T HA 0.313 4.657 4.350 -0.009 0.000 0.253 251 T C 0.686 175.480 174.700 0.157 0.000 1.038 251 T CA -0.008 62.065 62.100 -0.045 0.000 0.962 251 T CB 0.892 69.638 68.868 -0.204 0.000 1.018 251 T HN 0.113 nan 8.240 nan 0.000 0.521 252 G N 2.037 110.912 108.800 0.125 0.000 2.511 252 G HA2 0.624 4.578 3.960 -0.009 0.000 0.316 252 G HA3 0.624 4.578 3.960 -0.009 0.000 0.316 252 G C -2.991 172.011 174.900 0.171 0.000 1.210 252 G CA -1.993 43.193 45.100 0.144 0.000 0.969 252 G HN 0.061 nan 8.290 nan 0.000 0.492 253 P HA 0.110 nan 4.420 nan 0.000 0.267 253 P C -0.021 177.228 177.300 -0.085 0.000 1.200 253 P CA 0.002 63.072 63.100 -0.050 0.000 0.772 253 P CB 0.615 32.244 31.700 -0.118 0.000 0.855 254 I N 4.557 125.047 120.570 -0.133 0.000 2.533 254 I HA 0.072 4.236 4.170 -0.009 0.000 0.284 254 I C -1.891 174.093 176.117 -0.222 0.000 1.109 254 I CA -1.922 59.242 61.300 -0.227 0.000 1.412 254 I CB 0.163 37.932 38.000 -0.385 0.000 1.396 254 I HN 0.149 nan 8.210 nan 0.000 0.543 255 P HA -0.017 nan 4.420 nan 0.000 0.265 255 P C 0.779 177.969 177.300 -0.184 0.000 1.222 255 P CA 0.023 63.008 63.100 -0.192 0.000 0.767 255 P CB 0.513 32.144 31.700 -0.116 0.000 0.801 256 M N 3.736 123.235 119.600 -0.168 0.000 2.374 256 M HA -0.147 4.327 4.480 -0.009 0.000 0.264 256 M C 1.460 177.730 176.300 -0.051 0.000 1.067 256 M CA 1.525 56.765 55.300 -0.100 0.000 1.103 256 M CB -0.903 31.717 32.600 0.035 0.000 1.402 256 M HN 0.337 nan 8.290 nan 0.000 0.444 257 H N 1.347 120.252 119.070 -0.275 0.000 2.545 257 H HA 0.064 4.615 4.556 -0.010 0.000 0.282 257 H C 1.416 176.650 175.328 -0.157 0.000 1.020 257 H CA 0.800 56.754 56.048 -0.157 0.000 1.243 257 H CB -0.928 28.700 29.762 -0.224 0.000 1.377 257 H HN 0.539 nan 8.280 nan 0.000 0.581 258 L N 0.478 121.354 121.223 -0.577 0.000 2.592 258 L HA 0.159 4.494 4.340 -0.009 0.000 0.227 258 L C 1.549 178.233 176.870 -0.311 0.000 1.127 258 L CA 0.042 54.557 54.840 -0.543 0.000 0.884 258 L CB 0.105 41.732 42.059 -0.719 0.000 1.065 258 L HN 0.134 nan 8.230 nan 0.000 0.457 259 L N -0.063 120.993 121.223 -0.279 0.000 2.628 259 L HA 0.287 4.622 4.340 -0.009 0.000 0.229 259 L C 1.407 178.234 176.870 -0.070 0.000 1.137 259 L CA 0.301 54.952 54.840 -0.315 0.000 0.909 259 L CB 0.051 41.743 42.059 -0.612 0.000 1.137 259 L HN 0.404 nan 8.230 nan 0.000 0.470 260 G N 0.742 109.524 108.800 -0.030 0.000 2.148 260 G HA2 -0.302 3.652 3.960 -0.009 0.000 0.254 260 G HA3 -0.302 3.652 3.960 -0.009 0.000 0.254 260 G C 0.011 174.949 174.900 0.062 0.000 0.981 260 G CA 0.217 45.333 45.100 0.027 0.000 0.670 260 G HN 0.451 nan 8.290 nan 0.000 0.528 261 N N -0.921 117.825 118.700 0.075 0.000 2.324 261 N HA 0.374 5.108 4.740 -0.009 0.000 0.285 261 N C 1.069 176.580 175.510 0.001 0.000 1.076 261 N CA -0.266 52.837 53.050 0.089 0.000 0.864 261 N CB 1.372 39.993 38.487 0.224 0.000 1.632 261 N HN -0.018 nan 8.380 nan 0.000 0.478 262 M N 2.635 122.040 119.600 -0.324 0.000 2.267 262 M HA 0.067 4.541 4.480 -0.009 0.000 0.263 262 M C 0.450 176.457 176.300 -0.488 0.000 1.063 262 M CA 1.699 56.572 55.300 -0.711 0.000 1.090 262 M CB -0.105 31.442 32.600 -1.754 0.000 1.392 262 M HN 0.620 nan 8.290 nan 0.000 0.422 263 W N -0.989 120.487 121.300 0.293 0.000 2.870 263 W HA 0.572 5.226 4.660 -0.010 0.000 0.358 263 W C 1.050 177.728 176.519 0.265 0.000 1.043 263 W CA 0.171 57.736 57.345 0.366 0.000 1.692 263 W CB -0.850 28.765 29.460 0.258 0.000 1.100 263 W HN 0.360 nan 8.180 nan 0.000 0.557 264 A N 2.027 125.074 122.820 0.378 0.000 2.799 264 A HA -0.356 3.958 4.320 -0.009 0.000 0.287 264 A C 1.682 179.477 177.584 0.352 0.000 1.484 264 A CA 2.054 54.340 52.037 0.415 0.000 0.813 264 A CB -2.037 17.214 19.000 0.418 0.000 1.009 264 A HN 0.610 nan 8.150 nan 0.000 0.545 265 Q N -1.513 118.263 119.800 -0.041 0.000 2.269 265 Q HA 0.111 4.445 4.340 -0.009 0.000 0.201 265 Q C 0.776 176.728 176.000 -0.080 0.000 0.946 265 Q CA 1.250 56.717 55.803 -0.560 0.000 0.877 265 Q CB 0.136 28.101 28.738 -1.289 0.000 0.963 265 Q HN 0.836 nan 8.270 nan 0.000 0.472 266 Q N -1.013 118.845 119.800 0.097 0.000 2.345 266 Q HA 0.202 4.536 4.340 -0.009 0.000 0.275 266 Q C -1.296 174.898 176.000 0.322 0.000 1.063 266 Q CA -0.698 55.157 55.803 0.087 0.000 0.819 266 Q CB 1.481 30.285 28.738 0.111 0.000 1.356 266 Q HN 0.314 nan 8.270 nan 0.000 0.418 267 W N 0.635 121.988 121.300 0.089 0.000 2.991 267 W HA 0.114 4.768 4.660 -0.010 0.000 0.391 267 W C 1.426 177.987 176.519 0.070 0.000 1.054 267 W CA -0.223 57.165 57.345 0.072 0.000 1.856 267 W CB -0.418 29.082 29.460 0.067 0.000 1.132 267 W HN 0.672 nan 8.180 nan 0.000 0.601 268 S N -0.147 115.705 115.700 0.254 0.000 2.442 268 S HA -0.186 4.278 4.470 -0.009 0.000 0.236 268 S C 1.355 176.053 174.600 0.164 0.000 1.007 268 S CA 1.161 59.478 58.200 0.194 0.000 0.965 268 S CB -0.147 63.151 63.200 0.163 0.000 0.773 268 S HN 0.118 nan 8.310 nan 0.000 0.504 269 E N 1.677 121.967 120.200 0.149 0.000 2.338 269 E HA -0.028 4.316 4.350 -0.009 0.000 0.197 269 E C 1.750 178.396 176.600 0.077 0.000 1.007 269 E CA 1.046 57.504 56.400 0.097 0.000 0.849 269 E CB -0.351 29.395 29.700 0.077 0.000 0.774 269 E HN 0.963 nan 8.360 nan 0.000 0.506 270 I N -3.545 117.084 120.570 0.098 0.000 3.904 270 I HA 0.360 4.524 4.170 -0.009 0.000 0.333 270 I C 1.812 177.985 176.117 0.093 0.000 1.361 270 I CA -0.026 61.306 61.300 0.053 0.000 1.116 270 I CB 0.353 38.357 38.000 0.007 0.000 1.028 270 I HN -0.227 nan 8.210 nan 0.000 0.398 271 A N 2.597 125.506 122.820 0.148 0.000 1.986 271 A HA -0.269 4.045 4.320 -0.009 0.000 0.220 271 A C 2.097 179.765 177.584 0.141 0.000 1.171 271 A CA 2.202 54.359 52.037 0.199 0.000 0.640 271 A CB -0.751 18.375 19.000 0.210 0.000 0.811 271 A HN 0.751 nan 8.150 nan 0.000 0.451 272 D N 0.669 121.117 120.400 0.080 0.000 2.264 272 D HA -0.152 4.483 4.640 -0.009 0.000 0.208 272 D C 1.560 177.868 176.300 0.013 0.000 0.966 272 D CA 1.505 55.534 54.000 0.049 0.000 0.864 272 D CB -0.493 40.325 40.800 0.029 0.000 0.933 272 D HN 0.735 nan 8.370 nan 0.000 0.499 273 I N -1.685 118.868 120.570 -0.028 0.000 4.057 273 I HA 0.108 4.273 4.170 -0.009 0.000 0.334 273 I C 1.507 177.595 176.117 -0.049 0.000 1.308 273 I CA -0.171 61.073 61.300 -0.094 0.000 1.125 273 I CB 0.696 38.494 38.000 -0.336 0.000 1.034 273 I HN -0.049 nan 8.210 nan 0.000 0.401 274 V N -1.245 118.698 119.914 0.048 0.000 3.346 274 V HA 0.337 4.452 4.120 -0.009 0.000 0.309 274 V C 0.852 177.053 176.094 0.178 0.000 1.457 274 V CA 0.116 62.485 62.300 0.116 0.000 1.069 274 V CB -0.743 31.220 31.823 0.234 0.000 0.944 274 V HN 0.388 nan 8.190 nan 0.000 0.449 275 S N 0.863 116.641 115.700 0.129 0.000 2.549 275 S HA 0.368 4.832 4.470 -0.009 0.000 0.283 275 S C -1.178 173.391 174.600 -0.053 0.000 1.320 275 S CA -0.356 57.886 58.200 0.069 0.000 1.058 275 S CB 0.970 64.240 63.200 0.117 0.000 0.882 275 S HN 0.263 nan 8.310 nan 0.000 0.498 276 P HA -0.064 nan 4.420 nan 0.000 0.216 276 P C -0.206 176.724 177.300 -0.616 0.000 1.154 276 P CA 1.375 64.185 63.100 -0.484 0.000 0.865 276 P CB -0.038 31.102 31.700 -0.934 0.000 0.789 277 F N -2.813 117.120 119.950 -0.028 0.000 2.564 277 F HA 0.339 4.860 4.527 -0.010 0.000 0.368 277 F C -1.865 173.944 175.800 0.014 0.000 1.127 277 F CA -2.216 55.787 58.000 0.004 0.000 1.170 277 F CB 1.218 40.192 39.000 -0.043 0.000 1.397 277 F HN -0.091 nan 8.300 nan 0.000 0.493 278 P HA -0.127 nan 4.420 nan 0.000 0.222 278 P C 0.908 178.264 177.300 0.093 0.000 1.147 278 P CA 1.340 64.497 63.100 0.096 0.000 0.790 278 P CB 0.285 32.023 31.700 0.063 0.000 0.780 279 E N -1.073 119.193 120.200 0.111 0.000 2.442 279 E HA 0.014 4.358 4.350 -0.009 0.000 0.195 279 E C 0.483 177.114 176.600 0.053 0.000 1.030 279 E CA 0.467 56.912 56.400 0.075 0.000 0.869 279 E CB 0.104 29.848 29.700 0.073 0.000 0.857 279 E HN 0.245 nan 8.360 nan 0.000 0.505 280 K N 1.432 121.876 120.400 0.072 0.000 2.139 280 K HA 0.323 4.638 4.320 -0.009 0.000 0.243 280 K C -2.410 174.209 176.600 0.031 0.000 0.983 280 K CA -2.414 53.881 56.287 0.013 0.000 0.890 280 K CB 0.433 32.915 32.500 -0.030 0.000 1.090 280 K HN -0.120 nan 8.250 nan 0.000 0.445 281 P HA 0.090 nan 4.420 nan 0.000 0.268 281 P C -0.714 176.680 177.300 0.157 0.000 1.204 281 P CA -0.376 62.763 63.100 0.065 0.000 0.768 281 P CB 0.526 32.232 31.700 0.009 0.000 0.842 282 L N 4.783 126.105 121.223 0.165 0.000 2.349 282 L HA 0.279 4.613 4.340 -0.009 0.000 0.278 282 L C -0.626 176.340 176.870 0.159 0.000 0.996 282 L CA -0.852 54.092 54.840 0.173 0.000 0.825 282 L CB 1.902 44.045 42.059 0.139 0.000 1.243 282 L HN 0.052 nan 8.230 nan 0.000 0.412 283 V N 4.591 124.599 119.914 0.157 0.000 2.450 283 V HA 0.240 4.355 4.120 -0.009 0.000 0.281 283 V C -0.279 175.855 176.094 0.068 0.000 1.019 283 V CA 0.173 62.524 62.300 0.085 0.000 1.062 283 V CB 0.497 32.337 31.823 0.028 0.000 0.979 283 V HN 0.756 nan 8.190 nan 0.000 0.477 284 D N 4.097 124.519 120.400 0.036 0.000 2.328 284 D HA 0.176 4.810 4.640 -0.009 0.000 0.243 284 D C 0.287 176.569 176.300 -0.030 0.000 1.324 284 D CA -0.382 53.623 54.000 0.008 0.000 0.966 284 D CB 1.867 42.681 40.800 0.024 0.000 1.324 284 D HN 0.332 nan 8.370 nan 0.000 0.549 285 V N 1.187 121.058 119.914 -0.071 0.000 3.649 285 V HA 0.130 4.245 4.120 -0.009 0.000 0.275 285 V C 1.679 177.684 176.094 -0.148 0.000 1.281 285 V CA 0.575 62.810 62.300 -0.108 0.000 1.143 285 V CB -0.005 31.740 31.823 -0.130 0.000 0.892 285 V HN 0.279 nan 8.190 nan 0.000 0.441 286 S N 1.996 117.621 115.700 -0.125 0.000 2.365 286 S HA -0.188 4.276 4.470 -0.009 0.000 0.225 286 S C 2.287 176.824 174.600 -0.105 0.000 1.039 286 S CA 2.056 60.183 58.200 -0.122 0.000 1.033 286 S CB -0.576 62.574 63.200 -0.084 0.000 0.887 286 S HN 0.954 nan 8.310 nan 0.000 0.447 287 A N 1.613 124.389 122.820 -0.074 0.000 1.902 287 A HA -0.126 4.188 4.320 -0.009 0.000 0.217 287 A C 2.105 179.647 177.584 -0.069 0.000 1.181 287 A CA 1.315 53.319 52.037 -0.054 0.000 0.623 287 A CB -0.453 18.528 19.000 -0.030 0.000 0.818 287 A HN 0.324 nan 8.150 nan 0.000 0.443 288 E N -0.405 119.739 120.200 -0.093 0.000 2.106 288 E HA -0.138 4.206 4.350 -0.009 0.000 0.192 288 E C 2.061 178.551 176.600 -0.183 0.000 0.984 288 E CA 1.085 57.421 56.400 -0.107 0.000 0.806 288 E CB -0.384 29.254 29.700 -0.102 0.000 0.750 288 E HN 0.728 nan 8.360 nan 0.000 0.458 289 M N 0.329 119.743 119.600 -0.311 0.000 2.086 289 M HA -0.174 4.301 4.480 -0.009 0.000 0.261 289 M C 2.062 178.255 176.300 -0.179 0.000 1.067 289 M CA 1.514 56.478 55.300 -0.559 0.000 1.116 289 M CB -0.270 31.984 32.600 -0.576 0.000 1.348 289 M HN 0.028 nan 8.290 nan 0.000 0.407 290 E N 0.091 120.240 120.200 -0.085 0.000 2.110 290 E HA -0.211 4.133 4.350 -0.009 0.000 0.193 290 E C 2.003 178.617 176.600 0.022 0.000 0.988 290 E CA 0.997 57.397 56.400 0.000 0.000 0.804 290 E CB -0.180 29.516 29.700 -0.007 0.000 0.745 290 E HN 0.423 nan 8.360 nan 0.000 0.458 291 K N 1.041 121.441 120.400 -0.001 0.000 2.097 291 K HA -0.168 4.147 4.320 -0.009 0.000 0.206 291 K C 1.864 178.492 176.600 0.046 0.000 1.049 291 K CA 1.176 57.472 56.287 0.016 0.000 0.933 291 K CB 0.104 32.604 32.500 -0.001 0.000 0.717 291 K HN 0.066 nan 8.250 nan 0.000 0.442 292 Q N -0.812 119.032 119.800 0.074 0.000 2.444 292 Q HA 0.044 4.379 4.340 -0.009 0.000 0.206 292 Q C 0.418 176.538 176.000 0.200 0.000 0.948 292 Q CA 0.468 56.363 55.803 0.152 0.000 0.946 292 Q CB 0.533 29.410 28.738 0.233 0.000 1.027 292 Q HN 0.599 nan 8.270 nan 0.000 0.513 293 G N 0.606 109.508 108.800 0.170 0.000 2.176 293 G HA2 -0.321 3.633 3.960 -0.009 0.000 0.252 293 G HA3 -0.321 3.633 3.960 -0.009 0.000 0.252 293 G C -0.320 174.693 174.900 0.188 0.000 1.024 293 G CA -0.264 44.921 45.100 0.141 0.000 0.755 293 G HN 0.419 nan 8.290 nan 0.000 0.507 294 Y N 1.036 121.351 120.300 0.025 0.000 2.788 294 Y HA 0.287 4.833 4.550 -0.007 0.000 0.341 294 Y C 1.681 177.610 175.900 0.048 0.000 1.258 294 Y CA 1.060 59.183 58.100 0.038 0.000 1.503 294 Y CB 0.653 39.133 38.460 0.034 0.000 1.325 294 Y HN 0.427 nan 8.280 nan 0.000 0.614 295 T N 0.076 114.713 114.554 0.139 0.000 2.916 295 T HA 0.327 4.671 4.350 -0.009 0.000 0.292 295 T C -2.312 172.493 174.700 0.174 0.000 1.064 295 T CA -2.282 59.895 62.100 0.129 0.000 1.011 295 T CB 1.976 70.891 68.868 0.080 0.000 1.152 295 T HN 0.176 nan 8.240 nan 0.000 0.510 296 P HA -0.085 nan 4.420 nan 0.000 0.215 296 P C 1.743 179.290 177.300 0.412 0.000 1.157 296 P CA 0.447 63.733 63.100 0.310 0.000 0.874 296 P CB -0.043 31.819 31.700 0.270 0.000 0.790 297 L N 0.125 121.514 121.223 0.275 0.000 2.013 297 L HA -0.205 4.130 4.340 -0.009 0.000 0.212 297 L C 2.275 179.296 176.870 0.251 0.000 1.073 297 L CA 2.118 57.121 54.840 0.271 0.000 0.753 297 L CB -1.256 40.872 42.059 0.115 0.000 0.890 297 L HN -0.216 nan 8.230 nan 0.000 0.432 298 K N -0.611 119.857 120.400 0.113 0.000 2.063 298 K HA -0.183 4.132 4.320 -0.009 0.000 0.208 298 K C 1.991 178.627 176.600 0.061 0.000 1.048 298 K CA 2.150 58.435 56.287 -0.004 0.000 0.928 298 K CB -0.348 32.029 32.500 -0.204 0.000 0.713 298 K HN 0.386 nan 8.250 nan 0.000 0.442 299 M N -0.932 118.754 119.600 0.144 0.000 2.080 299 M HA -0.112 4.362 4.480 -0.009 0.000 0.260 299 M C 1.889 178.253 176.300 0.107 0.000 1.068 299 M CA 1.740 57.130 55.300 0.149 0.000 1.109 299 M CB -0.387 32.296 32.600 0.139 0.000 1.342 299 M HN 0.057 nan 8.290 nan 0.000 0.405 300 F N 0.480 120.570 119.950 0.233 0.000 2.146 300 F HA -0.211 4.315 4.527 -0.001 0.000 0.298 300 F C 2.609 178.653 175.800 0.406 0.000 1.096 300 F CA 1.482 59.668 58.000 0.309 0.000 1.275 300 F CB -0.491 38.785 39.000 0.459 0.000 1.008 300 F HN 0.175 nan 8.300 nan 0.000 0.480 301 Q N -0.471 119.671 119.800 0.570 0.000 2.124 301 Q HA -0.222 4.113 4.340 -0.009 0.000 0.202 301 Q C 2.213 178.371 176.000 0.263 0.000 0.977 301 Q CA 1.606 57.638 55.803 0.382 0.000 0.850 301 Q CB -0.256 28.551 28.738 0.114 0.000 0.901 301 Q HN 0.471 nan 8.270 nan 0.000 0.429 302 M N -0.524 119.199 119.600 0.206 0.000 2.175 302 M HA -0.084 4.390 4.480 -0.009 0.000 0.264 302 M C 2.180 178.638 176.300 0.263 0.000 1.063 302 M CA 1.418 56.849 55.300 0.220 0.000 1.119 302 M CB -0.347 32.384 32.600 0.219 0.000 1.377 302 M HN 0.344 nan 8.290 nan 0.000 0.415 303 G N 0.122 108.970 108.800 0.079 0.000 2.421 303 G HA2 -0.278 3.676 3.960 -0.009 0.000 0.216 303 G HA3 -0.278 3.676 3.960 -0.009 0.000 0.216 303 G C 1.079 176.117 174.900 0.229 0.000 1.171 303 G CA 1.392 46.403 45.100 -0.148 0.000 0.775 303 G HN 0.384 nan 8.290 nan 0.000 0.543 304 D N 0.702 121.249 120.400 0.245 0.000 2.116 304 D HA -0.166 4.468 4.640 -0.009 0.000 0.193 304 D C 2.054 178.526 176.300 0.286 0.000 0.998 304 D CA 1.514 55.673 54.000 0.265 0.000 0.836 304 D CB -0.419 40.582 40.800 0.335 0.000 0.951 304 D HN 0.253 nan 8.370 nan 0.000 0.449 305 D N -1.124 119.444 120.400 0.280 0.000 2.133 305 D HA -0.213 4.421 4.640 -0.009 0.000 0.195 305 D C 2.068 178.538 176.300 0.284 0.000 0.997 305 D CA 0.926 55.082 54.000 0.260 0.000 0.840 305 D CB -0.682 40.281 40.800 0.272 0.000 0.947 305 D HN 0.343 nan 8.370 nan 0.000 0.452 306 F N -0.757 119.342 119.950 0.248 0.000 2.102 306 F HA -0.147 4.373 4.527 -0.011 0.000 0.298 306 F C 1.989 177.703 175.800 -0.143 0.000 1.105 306 F CA 1.212 59.294 58.000 0.136 0.000 1.239 306 F CB -0.203 38.868 39.000 0.118 0.000 0.991 306 F HN -0.062 nan 8.300 nan 0.000 0.474 307 F N 0.340 120.421 119.950 0.219 0.000 2.075 307 F HA -0.237 4.284 4.527 -0.010 0.000 0.297 307 F C 2.891 178.672 175.800 -0.033 0.000 1.113 307 F CA 1.955 59.974 58.000 0.031 0.000 1.218 307 F CB -1.387 37.574 39.000 -0.066 0.000 0.984 307 F HN 0.001 nan 8.300 nan 0.000 0.472 308 T N -2.515 112.135 114.554 0.160 0.000 2.833 308 T HA -0.206 4.139 4.350 -0.009 0.000 0.269 308 T C 2.137 176.801 174.700 -0.059 0.000 1.054 308 T CA 1.292 63.420 62.100 0.047 0.000 1.135 308 T CB -1.006 67.896 68.868 0.056 0.000 0.869 308 T HN 0.330 nan 8.240 nan 0.000 0.466 309 S N 1.733 117.332 115.700 -0.168 0.000 2.419 309 S HA -0.003 4.461 4.470 -0.009 0.000 0.233 309 S C 1.895 176.289 174.600 -0.343 0.000 1.016 309 S CA 0.867 58.821 58.200 -0.410 0.000 0.974 309 S CB -0.808 61.742 63.200 -1.082 0.000 0.786 309 S HN 0.599 nan 8.310 nan 0.000 0.492 310 M N 1.157 120.626 119.600 -0.218 0.000 2.505 310 M HA 0.289 4.764 4.480 -0.009 0.000 0.230 310 M C 0.548 176.810 176.300 -0.063 0.000 1.153 310 M CA 0.047 55.272 55.300 -0.125 0.000 0.997 310 M CB -0.434 32.126 32.600 -0.065 0.000 1.606 310 M HN 0.340 nan 8.290 nan 0.000 0.481 311 N N 1.046 119.705 118.700 -0.068 0.000 2.776 311 N HA -0.141 4.593 4.740 -0.009 0.000 0.249 311 N C -1.118 174.374 175.510 -0.029 0.000 1.111 311 N CA 0.565 53.584 53.050 -0.051 0.000 0.711 311 N CB -1.207 37.244 38.487 -0.061 0.000 1.065 311 N HN 0.391 nan 8.380 nan 0.000 0.556 312 L N -0.849 120.381 121.223 0.011 0.000 2.397 312 L HA 0.510 4.844 4.340 -0.009 0.000 0.266 312 L C 0.902 177.783 176.870 0.017 0.000 1.040 312 L CA -0.859 54.003 54.840 0.037 0.000 0.800 312 L CB 0.764 42.894 42.059 0.119 0.000 1.324 312 L HN -0.010 nan 8.230 nan 0.000 0.469 313 T N 0.775 115.321 114.554 -0.014 0.000 2.851 313 T HA 0.095 4.439 4.350 -0.009 0.000 0.298 313 T C 0.011 174.677 174.700 -0.057 0.000 0.977 313 T CA -0.336 61.739 62.100 -0.040 0.000 1.126 313 T CB 0.637 69.473 68.868 -0.053 0.000 0.916 313 T HN 0.357 nan 8.240 nan 0.000 0.529 314 K N 3.505 123.894 120.400 -0.019 0.000 2.436 314 K HA 0.131 4.445 4.320 -0.009 0.000 0.275 314 K C -0.183 176.388 176.600 -0.048 0.000 0.999 314 K CA -0.450 55.841 56.287 0.006 0.000 0.980 314 K CB 0.275 32.806 32.500 0.051 0.000 0.919 314 K HN 0.522 nan 8.250 nan 0.000 0.484 315 L N 6.800 127.975 121.223 -0.080 0.000 2.513 315 L HA 0.115 4.449 4.340 -0.009 0.000 0.272 315 L C -1.600 175.256 176.870 -0.022 0.000 1.187 315 L CA -1.560 53.134 54.840 -0.243 0.000 0.895 315 L CB 0.232 41.914 42.059 -0.628 0.000 1.147 315 L HN 0.685 nan 8.230 nan 0.000 0.483 316 P HA 0.037 nan 4.420 nan 0.000 0.274 316 P C -0.151 177.242 177.300 0.155 0.000 1.256 316 P CA -0.501 62.640 63.100 0.069 0.000 0.795 316 P CB 0.959 32.681 31.700 0.036 0.000 1.038 317 Q N 0.551 120.459 119.800 0.181 0.000 2.124 317 Q HA -0.170 4.165 4.340 -0.009 0.000 0.202 317 Q C 1.389 177.480 176.000 0.151 0.000 0.977 317 Q CA 1.910 57.853 55.803 0.233 0.000 0.850 317 Q CB -1.044 27.779 28.738 0.142 0.000 0.901 317 Q HN 0.359 nan 8.270 nan 0.000 0.429 318 D N -0.944 119.489 120.400 0.055 0.000 2.149 318 D HA -0.171 4.464 4.640 -0.009 0.000 0.198 318 D C 1.403 177.656 176.300 -0.078 0.000 0.990 318 D CA 0.845 54.822 54.000 -0.038 0.000 0.839 318 D CB -0.310 40.441 40.800 -0.081 0.000 0.948 318 D HN 0.304 nan 8.370 nan 0.000 0.460 319 F N -0.345 119.485 119.950 -0.200 0.000 2.069 319 F HA -0.193 4.330 4.527 -0.007 0.000 0.298 319 F C 1.916 177.527 175.800 -0.315 0.000 1.113 319 F CA 1.648 59.449 58.000 -0.332 0.000 1.214 319 F CB -0.544 38.150 39.000 -0.509 0.000 0.978 319 F HN 0.017 nan 8.300 nan 0.000 0.474 320 W N 0.692 122.037 121.300 0.075 0.000 2.388 320 W HA -0.147 4.505 4.660 -0.014 0.000 0.294 320 W C 2.221 178.660 176.519 -0.134 0.000 1.212 320 W CA 0.756 58.081 57.345 -0.035 0.000 1.271 320 W CB -0.509 28.996 29.460 0.075 0.000 1.126 320 W HN -0.026 nan 8.180 nan 0.000 0.535 321 D N -0.030 120.421 120.400 0.085 0.000 2.149 321 D HA -0.097 4.537 4.640 -0.009 0.000 0.201 321 D C 1.637 177.878 176.300 -0.098 0.000 0.972 321 D CA 1.360 55.358 54.000 -0.004 0.000 0.835 321 D CB -0.220 40.568 40.800 -0.019 0.000 0.966 321 D HN 0.234 nan 8.370 nan 0.000 0.476 322 K N -0.273 120.002 120.400 -0.207 0.000 2.391 322 K HA 0.202 4.517 4.320 -0.009 0.000 0.197 322 K C 0.587 177.020 176.600 -0.279 0.000 1.087 322 K CA -0.099 56.019 56.287 -0.282 0.000 1.012 322 K CB 0.935 33.161 32.500 -0.456 0.000 0.925 322 K HN -0.144 nan 8.250 nan 0.000 0.547 323 S N 1.266 116.729 115.700 -0.395 0.000 2.579 323 S HA 0.216 4.681 4.470 -0.009 0.000 0.275 323 S C 0.188 174.704 174.600 -0.140 0.000 1.345 323 S CA -0.098 57.874 58.200 -0.379 0.000 1.031 323 S CB 0.571 63.200 63.200 -0.951 0.000 0.892 323 S HN 0.117 nan 8.310 nan 0.000 0.529 324 I N 3.007 123.564 120.570 -0.021 0.000 2.354 324 I HA 0.287 4.452 4.170 -0.009 0.000 0.286 324 I C 0.625 176.680 176.117 -0.103 0.000 1.007 324 I CA -0.128 61.139 61.300 -0.054 0.000 1.167 324 I CB 0.891 38.851 38.000 -0.066 0.000 1.320 324 I HN 0.651 nan 8.210 nan 0.000 0.458 325 I N 1.362 121.854 120.570 -0.130 0.000 4.025 325 I HA 0.482 4.647 4.170 -0.009 0.000 0.336 325 I C 0.019 176.162 176.117 0.044 0.000 1.390 325 I CA -0.009 61.222 61.300 -0.115 0.000 1.099 325 I CB 0.238 38.017 38.000 -0.368 0.000 1.049 325 I HN 0.429 nan 8.210 nan 0.000 0.394 326 E N 1.861 122.074 120.200 0.022 0.000 2.356 326 E HA 0.346 4.690 4.350 -0.009 0.000 0.275 326 E C -1.186 175.423 176.600 0.016 0.000 0.904 326 E CA -0.994 55.431 56.400 0.042 0.000 0.757 326 E CB 2.689 32.412 29.700 0.039 0.000 1.232 326 E HN 0.099 nan 8.360 nan 0.000 0.442 327 K N 3.414 123.827 120.400 0.021 0.000 2.436 327 K HA 0.110 4.424 4.320 -0.009 0.000 0.282 327 K C -2.053 174.545 176.600 -0.004 0.000 1.044 327 K CA -1.140 55.149 56.287 0.004 0.000 1.028 327 K CB 0.260 32.767 32.500 0.012 0.000 0.919 327 K HN 0.169 nan 8.250 nan 0.000 0.474 328 P HA -0.040 nan 4.420 nan 0.000 0.266 328 P C -0.034 177.260 177.300 -0.010 0.000 1.195 328 P CA 0.001 63.089 63.100 -0.020 0.000 0.768 328 P CB 0.814 32.492 31.700 -0.037 0.000 0.838 329 T N -2.490 112.061 114.554 -0.005 0.000 3.086 329 T HA 0.060 4.404 4.350 -0.009 0.000 0.250 329 T C 0.418 175.118 174.700 0.000 0.000 1.074 329 T CA -0.364 61.737 62.100 0.001 0.000 0.988 329 T CB -0.508 68.363 68.868 0.005 0.000 0.988 329 T HN 0.396 nan 8.240 nan 0.000 0.530 330 D N 1.471 121.868 120.400 -0.004 0.000 2.414 330 D HA 0.361 4.995 4.640 -0.009 0.000 0.259 330 D C 1.550 177.849 176.300 -0.003 0.000 1.269 330 D CA -0.431 53.567 54.000 -0.003 0.000 1.028 330 D CB -0.202 40.594 40.800 -0.006 0.000 1.093 330 D HN 0.064 nan 8.370 nan 0.000 0.545 331 G N -1.627 107.172 108.800 -0.001 0.000 2.920 331 G HA2 -0.080 3.874 3.960 -0.009 0.000 0.208 331 G HA3 -0.080 3.874 3.960 -0.009 0.000 0.208 331 G C 0.621 175.520 174.900 -0.002 0.000 1.159 331 G CA -0.273 44.828 45.100 0.002 0.000 0.784 331 G HN 0.562 nan 8.290 nan 0.000 0.535 332 R N 0.582 121.076 120.500 -0.011 0.000 2.694 332 R HA 0.165 4.500 4.340 -0.009 0.000 0.268 332 R C -1.382 174.903 176.300 -0.025 0.000 1.061 332 R CA -0.293 55.795 56.100 -0.020 0.000 1.133 332 R CB 0.674 30.955 30.300 -0.033 0.000 1.020 332 R HN -0.119 nan 8.270 nan 0.000 0.475 333 D N 2.865 123.248 120.400 -0.030 0.000 2.255 333 D HA 0.387 5.021 4.640 -0.009 0.000 0.249 333 D C 0.120 176.372 176.300 -0.080 0.000 1.078 333 D CA -0.173 53.805 54.000 -0.036 0.000 0.896 333 D CB 1.479 42.266 40.800 -0.022 0.000 1.194 333 D HN 0.532 nan 8.370 nan 0.000 0.429 334 L N -2.080 119.099 121.223 -0.074 0.000 2.600 334 L HA 0.576 4.911 4.340 -0.009 0.000 0.257 334 L C -1.299 175.540 176.870 -0.052 0.000 1.048 334 L CA -1.111 53.659 54.840 -0.116 0.000 0.869 334 L CB 1.511 43.494 42.059 -0.127 0.000 1.482 334 L HN -0.024 nan 8.230 nan 0.000 0.408 335 V N 0.771 120.652 119.914 -0.055 0.000 2.408 335 V HA 0.121 4.235 4.120 -0.009 0.000 0.267 335 V C 0.670 176.781 176.094 0.028 0.000 1.047 335 V CA -0.060 62.270 62.300 0.049 0.000 0.937 335 V CB 0.771 32.657 31.823 0.105 0.000 0.999 335 V HN 0.983 nan 8.190 nan 0.000 0.472 336 c N 3.398 122.032 118.600 0.057 0.000 2.673 336 c HA 0.123 4.687 4.570 -0.009 0.000 0.264 336 c C 1.326 175.421 174.090 0.008 0.000 1.304 336 c CA -0.163 56.187 56.329 0.034 0.000 1.727 336 c CB -1.320 41.217 42.510 0.046 0.000 1.932 336 c HN 0.958 nan 8.230 nan 0.000 0.563 337 H N 1.220 120.194 119.070 -0.160 0.000 3.046 337 H HA 0.370 4.920 4.556 -0.009 0.000 0.303 337 H C 0.653 175.899 175.328 -0.137 0.000 1.002 337 H CA 0.442 56.303 56.048 -0.311 0.000 1.460 337 H CB 0.488 29.623 29.762 -1.045 0.000 1.493 337 H HN 0.447 nan 8.280 nan 0.000 0.559 338 A N 4.667 127.292 122.820 -0.324 0.000 2.567 338 A HA 0.344 4.658 4.320 -0.009 0.000 0.240 338 A C -0.049 177.649 177.584 0.189 0.000 1.053 338 A CA 0.606 52.637 52.037 -0.010 0.000 0.755 338 A CB -0.220 18.779 19.000 -0.000 0.000 0.978 338 A HN 0.856 nan 8.150 nan 0.000 0.507 339 S N 0.634 116.538 115.700 0.339 0.000 2.556 339 S HA 0.830 5.294 4.470 -0.009 0.000 0.271 339 S C -0.613 174.317 174.600 0.551 0.000 1.135 339 S CA -0.182 58.258 58.200 0.400 0.000 0.858 339 S CB 1.727 65.158 63.200 0.386 0.000 1.114 339 S HN 2.070 nan 8.310 nan 0.000 0.468 340 A N 0.965 124.035 122.820 0.416 0.000 2.365 340 A HA 0.799 5.114 4.320 -0.009 0.000 0.318 340 A C -1.830 176.045 177.584 0.485 0.000 1.091 340 A CA -0.735 51.652 52.037 0.583 0.000 0.763 340 A CB 0.592 19.876 19.000 0.474 0.000 1.248 340 A HN 0.757 nan 8.150 nan 0.000 0.442 341 W N 0.943 122.491 121.300 0.414 0.000 2.683 341 W HA 0.502 5.161 4.660 -0.002 0.000 0.329 341 W C -0.820 175.513 176.519 -0.309 0.000 1.037 341 W CA -0.336 57.026 57.345 0.028 0.000 1.232 341 W CB 1.859 31.382 29.460 0.105 0.000 1.390 341 W HN 0.646 nan 8.180 nan 0.000 0.465 342 D N 2.058 121.969 120.400 -0.816 0.000 2.349 342 D HA 0.284 4.919 4.640 -0.009 0.000 0.232 342 D C -0.222 175.611 176.300 -0.778 0.000 1.071 342 D CA -0.529 52.815 54.000 -1.093 0.000 0.832 342 D CB 0.834 40.461 40.800 -1.956 0.000 1.086 342 D HN 0.244 nan 8.370 nan 0.000 0.504 343 F N 2.373 122.116 119.950 -0.345 0.000 2.765 343 F HA 0.140 4.665 4.527 -0.003 0.000 0.302 343 F C 0.520 176.339 175.800 0.032 0.000 1.111 343 F CA -0.284 57.650 58.000 -0.110 0.000 1.359 343 F CB -0.189 38.760 39.000 -0.085 0.000 1.097 343 F HN 0.469 nan 8.300 nan 0.000 0.577 344 Y N -1.408 118.955 120.300 0.104 0.000 4.490 344 Y HA -0.301 4.244 4.550 -0.008 0.000 0.233 344 Y C 0.796 176.765 175.900 0.114 0.000 1.101 344 Y CA -0.303 57.870 58.100 0.120 0.000 2.010 344 Y CB -2.034 36.528 38.460 0.171 0.000 1.622 344 Y HN 0.042 nan 8.280 nan 0.000 0.675 345 L N -1.396 119.948 121.223 0.201 0.000 2.674 345 L HA 0.515 4.849 4.340 -0.009 0.000 0.182 345 L C 0.803 177.744 176.870 0.119 0.000 1.867 345 L CA -0.430 54.493 54.840 0.137 0.000 2.994 345 L CB 0.269 42.383 42.059 0.091 0.000 2.945 345 L HN -0.116 nan 8.230 nan 0.000 0.729 346 T N -0.089 114.515 114.554 0.083 0.000 2.786 346 T HA 0.255 4.599 4.350 -0.009 0.000 0.283 346 T C -0.763 173.970 174.700 0.055 0.000 0.992 346 T CA -0.355 61.792 62.100 0.078 0.000 0.954 346 T CB 1.300 70.209 68.868 0.068 0.000 0.934 346 T HN 0.516 nan 8.240 nan 0.000 0.440 347 D N 0.899 121.336 120.400 0.061 0.000 3.046 347 D HA -0.133 4.501 4.640 -0.009 0.000 0.210 347 D C -0.053 176.263 176.300 0.027 0.000 1.124 347 D CA 1.143 55.170 54.000 0.045 0.000 0.986 347 D CB -0.551 40.270 40.800 0.034 0.000 1.118 347 D HN 0.597 nan 8.370 nan 0.000 0.416 348 D N 0.705 121.116 120.400 0.019 0.000 2.468 348 D HA 0.319 4.953 4.640 -0.009 0.000 0.218 348 D C -0.294 176.043 176.300 0.061 0.000 1.155 348 D CA -0.312 53.662 54.000 -0.043 0.000 0.924 348 D CB 0.232 40.965 40.800 -0.113 0.000 1.029 348 D HN 0.102 nan 8.370 nan 0.000 0.515 349 V N 1.108 121.076 119.914 0.090 0.000 2.789 349 V HA 0.768 4.882 4.120 -0.009 0.000 0.311 349 V C -0.384 175.860 176.094 0.251 0.000 1.073 349 V CA -1.004 61.448 62.300 0.253 0.000 0.921 349 V CB 2.115 34.131 31.823 0.321 0.000 1.009 349 V HN 0.271 nan 8.190 nan 0.000 0.426 350 R N 2.832 123.529 120.500 0.328 0.000 2.774 350 R HA 0.781 5.116 4.340 -0.009 0.000 0.272 350 R C -1.575 174.948 176.300 0.372 0.000 1.000 350 R CA -0.760 55.383 56.100 0.070 0.000 0.906 350 R CB 2.818 32.876 30.300 -0.404 0.000 1.227 350 R HN 0.776 nan 8.270 nan 0.000 0.468 351 I N 1.129 121.797 120.570 0.164 0.000 2.569 351 I HA 0.351 4.516 4.170 -0.009 0.000 0.296 351 I C -0.673 175.626 176.117 0.304 0.000 1.028 351 I CA -0.724 60.810 61.300 0.390 0.000 1.082 351 I CB 2.217 40.484 38.000 0.445 0.000 1.264 351 I HN 0.337 nan 8.210 nan 0.000 0.429 352 K N 6.141 126.778 120.400 0.395 0.000 2.425 352 K HA 0.471 4.785 4.320 -0.009 0.000 0.259 352 K C -1.156 175.558 176.600 0.190 0.000 0.978 352 K CA -0.454 55.933 56.287 0.166 0.000 0.883 352 K CB 1.171 33.633 32.500 -0.065 0.000 1.110 352 K HN 0.592 nan 8.250 nan 0.000 0.436 353 Q N 3.988 123.875 119.800 0.146 0.000 2.289 353 Q HA 0.290 4.624 4.340 -0.009 0.000 0.270 353 Q C -1.381 174.692 176.000 0.121 0.000 1.038 353 Q CA -0.831 55.078 55.803 0.177 0.000 0.812 353 Q CB 1.626 30.568 28.738 0.341 0.000 1.300 353 Q HN 0.779 nan 8.270 nan 0.000 0.427 354 c N 3.752 122.401 118.600 0.082 0.000 2.861 354 c HA 0.239 4.803 4.570 -0.009 0.000 0.542 354 c C 0.399 174.543 174.090 0.090 0.000 1.074 354 c CA -0.304 56.064 56.329 0.065 0.000 1.232 354 c CB -1.847 40.685 42.510 0.037 0.000 1.433 354 c HN 0.622 nan 8.230 nan 0.000 0.606 355 T N 2.759 117.400 114.554 0.144 0.000 2.928 355 T HA 0.157 4.502 4.350 -0.009 0.000 0.305 355 T C 0.518 175.287 174.700 0.114 0.000 1.035 355 T CA 0.591 62.791 62.100 0.166 0.000 1.145 355 T CB 0.442 69.489 68.868 0.297 0.000 0.963 355 T HN 0.611 nan 8.240 nan 0.000 0.545 356 R N 1.328 121.878 120.500 0.083 0.000 2.854 356 R HA 0.534 4.868 4.340 -0.009 0.000 0.271 356 R C -0.801 175.532 176.300 0.055 0.000 0.996 356 R CA -0.942 55.194 56.100 0.060 0.000 0.961 356 R CB 1.562 31.881 30.300 0.032 0.000 1.182 356 R HN 0.345 nan 8.270 nan 0.000 0.479 357 V N 2.462 122.406 119.914 0.051 0.000 2.223 357 V HA 0.153 4.268 4.120 -0.009 0.000 0.249 357 V C 0.124 176.208 176.094 -0.018 0.000 1.233 357 V CA -0.003 62.324 62.300 0.045 0.000 1.131 357 V CB -0.492 31.374 31.823 0.073 0.000 1.298 357 V HN 0.921 nan 8.190 nan 0.000 0.498 358 T N -0.470 114.054 114.554 -0.049 0.000 2.883 358 T HA 0.348 4.692 4.350 -0.009 0.000 0.296 358 T C 0.604 175.192 174.700 -0.186 0.000 1.117 358 T CA -0.508 61.531 62.100 -0.101 0.000 1.006 358 T CB 2.162 70.984 68.868 -0.076 0.000 1.191 358 T HN 0.263 nan 8.240 nan 0.000 0.508 359 Q N 0.189 119.840 119.800 -0.247 0.000 2.050 359 Q HA -0.189 4.145 4.340 -0.009 0.000 0.202 359 Q C 1.556 177.118 176.000 -0.730 0.000 0.980 359 Q CA 2.469 57.998 55.803 -0.457 0.000 0.840 359 Q CB -0.390 28.131 28.738 -0.363 0.000 0.898 359 Q HN 0.855 nan 8.270 nan 0.000 0.424 360 D N -0.586 119.567 120.400 -0.412 0.000 2.144 360 D HA -0.188 4.447 4.640 -0.009 0.000 0.199 360 D C 1.961 178.152 176.300 -0.182 0.000 0.984 360 D CA 1.129 54.972 54.000 -0.261 0.000 0.834 360 D CB 0.089 40.859 40.800 -0.049 0.000 0.955 360 D HN 0.241 nan 8.370 nan 0.000 0.465 361 Q N -0.411 119.302 119.800 -0.144 0.000 2.167 361 Q HA -0.099 4.235 4.340 -0.009 0.000 0.202 361 Q C 2.205 178.164 176.000 -0.068 0.000 0.970 361 Q CA 0.437 56.201 55.803 -0.064 0.000 0.855 361 Q CB -0.287 28.436 28.738 -0.025 0.000 0.911 361 Q HN 0.358 nan 8.270 nan 0.000 0.438 362 L N 0.032 121.161 121.223 -0.157 0.000 2.083 362 L HA -0.131 4.204 4.340 -0.009 0.000 0.209 362 L C 1.834 178.773 176.870 0.116 0.000 1.083 362 L CA 1.496 56.302 54.840 -0.056 0.000 0.752 362 L CB -0.484 41.497 42.059 -0.130 0.000 0.899 362 L HN 0.009 nan 8.230 nan 0.000 0.433 363 F N -0.670 119.281 119.950 0.002 0.000 2.146 363 F HA -0.100 4.421 4.527 -0.009 0.000 0.298 363 F C 2.517 178.329 175.800 0.021 0.000 1.096 363 F CA 1.345 59.317 58.000 -0.046 0.000 1.275 363 F CB -1.919 37.018 39.000 -0.105 0.000 1.008 363 F HN 0.019 nan 8.300 nan 0.000 0.480 364 T N 0.171 114.832 114.554 0.179 0.000 2.720 364 T HA -0.138 4.206 4.350 -0.009 0.000 0.268 364 T C 2.376 177.150 174.700 0.123 0.000 1.037 364 T CA 1.426 63.604 62.100 0.129 0.000 1.144 364 T CB -0.700 68.204 68.868 0.059 0.000 0.864 364 T HN 0.044 nan 8.240 nan 0.000 0.444 365 V N 1.379 121.296 119.914 0.005 0.000 2.282 365 V HA -0.243 3.871 4.120 -0.009 0.000 0.249 365 V C 2.422 178.433 176.094 -0.138 0.000 1.057 365 V CA 1.700 63.853 62.300 -0.244 0.000 1.032 365 V CB -0.671 30.811 31.823 -0.569 0.000 0.645 365 V HN 0.644 nan 8.190 nan 0.000 0.447 366 H N -1.378 117.665 119.070 -0.045 0.000 2.423 366 H HA -0.175 4.377 4.556 -0.007 0.000 0.297 366 H C 2.356 177.680 175.328 -0.006 0.000 1.075 366 H CA 1.959 57.992 56.048 -0.025 0.000 1.342 366 H CB -0.067 29.623 29.762 -0.121 0.000 1.395 366 H HN 0.618 nan 8.280 nan 0.000 0.530 367 H N 1.220 120.320 119.070 0.050 0.000 2.293 367 H HA -0.104 4.446 4.556 -0.010 0.000 0.300 367 H C 2.041 177.332 175.328 -0.061 0.000 1.082 367 H CA 1.743 57.772 56.048 -0.031 0.000 1.308 367 H CB 0.358 30.125 29.762 0.008 0.000 1.375 367 H HN 0.163 nan 8.280 nan 0.000 0.495 368 E N 0.559 120.830 120.200 0.118 0.000 2.110 368 E HA -0.125 4.219 4.350 -0.009 0.000 0.193 368 E C 2.546 179.179 176.600 0.055 0.000 0.988 368 E CA 0.829 57.344 56.400 0.192 0.000 0.804 368 E CB -0.341 29.574 29.700 0.358 0.000 0.745 368 E HN 0.551 nan 8.360 nan 0.000 0.458 369 L N 0.354 121.570 121.223 -0.012 0.000 2.275 369 L HA -0.040 4.295 4.340 -0.009 0.000 0.215 369 L C 2.357 178.979 176.870 -0.413 0.000 1.119 369 L CA 0.906 55.636 54.840 -0.183 0.000 0.790 369 L CB -0.551 41.431 42.059 -0.129 0.000 0.919 369 L HN 0.173 nan 8.230 nan 0.000 0.443 370 G N -1.152 107.509 108.800 -0.233 0.000 2.408 370 G HA2 -0.236 3.718 3.960 -0.009 0.000 0.217 370 G HA3 -0.236 3.718 3.960 -0.009 0.000 0.217 370 G C 1.356 176.015 174.900 -0.401 0.000 1.150 370 G CA 0.357 45.295 45.100 -0.271 0.000 0.776 370 G HN 0.337 nan 8.290 nan 0.000 0.542 371 H N 0.615 119.497 119.070 -0.315 0.000 2.321 371 H HA -0.020 4.529 4.556 -0.010 0.000 0.300 371 H C 2.791 177.523 175.328 -0.992 0.000 1.087 371 H CA 1.012 56.810 56.048 -0.416 0.000 1.319 371 H CB -0.271 29.324 29.762 -0.278 0.000 1.379 371 H HN 0.178 nan 8.280 nan 0.000 0.501 372 I N 1.005 121.232 120.570 -0.573 0.000 2.163 372 I HA -0.268 3.897 4.170 -0.009 0.000 0.243 372 I C 2.591 178.420 176.117 -0.480 0.000 1.085 372 I CA 1.265 62.285 61.300 -0.466 0.000 1.347 372 I CB -1.005 36.850 38.000 -0.242 0.000 1.044 372 I HN 0.224 nan 8.210 nan 0.000 0.408 373 Q N 0.471 119.907 119.800 -0.607 0.000 2.096 373 Q HA -0.241 4.093 4.340 -0.009 0.000 0.204 373 Q C 2.320 178.100 176.000 -0.366 0.000 0.982 373 Q CA 1.798 57.260 55.803 -0.569 0.000 0.850 373 Q CB -0.700 27.526 28.738 -0.853 0.000 0.901 373 Q HN 0.572 nan 8.270 nan 0.000 0.422 374 Y N -0.916 119.046 120.300 -0.563 0.000 2.165 374 Y HA -0.294 4.250 4.550 -0.010 0.000 0.286 374 Y C 1.570 176.928 175.900 -0.904 0.000 1.155 374 Y CA 0.823 58.540 58.100 -0.639 0.000 1.164 374 Y CB -0.028 37.940 38.460 -0.819 0.000 0.978 374 Y HN 0.169 nan 8.280 nan 0.000 0.513 375 F N -0.027 119.641 119.950 -0.470 0.000 2.091 375 F HA -0.301 4.219 4.527 -0.012 0.000 0.299 375 F C 2.161 177.749 175.800 -0.353 0.000 1.103 375 F CA 1.225 58.917 58.000 -0.515 0.000 1.228 375 F CB -1.391 37.522 39.000 -0.145 0.000 0.984 375 F HN 0.035 nan 8.300 nan 0.000 0.477 376 L N -0.723 120.482 121.223 -0.029 0.000 2.093 376 L HA -0.177 4.158 4.340 -0.009 0.000 0.208 376 L C 2.555 179.452 176.870 0.046 0.000 1.085 376 L CA 0.907 55.753 54.840 0.009 0.000 0.755 376 L CB -0.691 41.339 42.059 -0.048 0.000 0.904 376 L HN 0.130 nan 8.230 nan 0.000 0.435 377 Q N -0.108 119.687 119.800 -0.009 0.000 2.167 377 Q HA -0.166 4.168 4.340 -0.009 0.000 0.202 377 Q C 1.588 177.779 176.000 0.319 0.000 0.970 377 Q CA 1.404 57.281 55.803 0.123 0.000 0.855 377 Q CB -0.058 28.725 28.738 0.075 0.000 0.911 377 Q HN 0.734 nan 8.270 nan 0.000 0.438 378 Y N -0.559 119.920 120.300 0.298 0.000 2.584 378 Y HA 0.281 4.825 4.550 -0.009 0.000 0.254 378 Y C 1.533 177.496 175.900 0.106 0.000 1.177 378 Y CA -0.402 57.811 58.100 0.187 0.000 1.216 378 Y CB -0.876 37.661 38.460 0.128 0.000 1.172 378 Y HN 0.073 nan 8.280 nan 0.000 0.529 379 Q N 0.910 120.978 119.800 0.447 0.000 2.437 379 Q HA -0.201 4.134 4.340 -0.009 0.000 0.210 379 Q C 0.916 177.081 176.000 0.275 0.000 0.972 379 Q CA 1.914 57.925 55.803 0.348 0.000 0.903 379 Q CB -0.991 27.898 28.738 0.252 0.000 0.967 379 Q HN 0.840 nan 8.270 nan 0.000 0.486 380 H N -1.304 117.884 119.070 0.197 0.000 2.535 380 H HA 0.198 4.748 4.556 -0.010 0.000 0.273 380 H C 0.438 175.851 175.328 0.142 0.000 0.983 380 H CA -0.255 55.881 56.048 0.147 0.000 1.238 380 H CB 0.115 29.954 29.762 0.128 0.000 1.412 380 H HN 0.042 nan 8.280 nan 0.000 0.562 381 Q N 2.404 121.969 119.800 -0.392 0.000 2.421 381 Q HA 0.132 4.466 4.340 -0.009 0.000 0.255 381 Q C -2.060 173.913 176.000 -0.046 0.000 1.013 381 Q CA -1.714 53.961 55.803 -0.214 0.000 0.895 381 Q CB 0.379 29.013 28.738 -0.172 0.000 1.271 381 Q HN 0.343 nan 8.270 nan 0.000 0.460 382 P HA -0.095 nan 4.420 nan 0.000 0.267 382 P C 0.517 177.753 177.300 -0.107 0.000 1.200 382 P CA 0.069 63.111 63.100 -0.097 0.000 0.772 382 P CB 0.304 31.861 31.700 -0.238 0.000 0.855 383 F N 3.925 123.753 119.950 -0.203 0.000 2.085 383 F HA -0.299 4.221 4.527 -0.011 0.000 0.299 383 F C 1.878 177.522 175.800 -0.260 0.000 1.096 383 F CA 2.618 60.486 58.000 -0.221 0.000 1.227 383 F CB -0.912 37.920 39.000 -0.280 0.000 0.983 383 F HN 0.131 nan 8.300 nan 0.000 0.482 384 V N -2.336 117.368 119.914 -0.350 0.000 2.867 384 V HA -0.240 3.874 4.120 -0.009 0.000 0.260 384 V C 1.635 177.535 176.094 -0.324 0.000 1.099 384 V CA 1.455 63.494 62.300 -0.436 0.000 1.122 384 V CB -1.553 30.055 31.823 -0.358 0.000 0.708 384 V HN 0.424 nan 8.190 nan 0.000 0.490 385 Y N 0.734 120.828 120.300 -0.344 0.000 2.457 385 Y HA 0.423 4.967 4.550 -0.010 0.000 0.263 385 Y C 1.645 177.219 175.900 -0.542 0.000 1.164 385 Y CA -0.885 57.005 58.100 -0.351 0.000 1.274 385 Y CB -0.318 37.995 38.460 -0.245 0.000 1.097 385 Y HN 0.278 nan 8.280 nan 0.000 0.523 386 R N 0.621 120.833 120.500 -0.480 0.000 4.138 386 R HA 0.270 4.605 4.340 -0.009 0.000 0.206 386 R C 0.020 175.741 176.300 -0.966 0.000 1.667 386 R CA 0.160 55.770 56.100 -0.817 0.000 1.481 386 R CB -0.035 30.159 30.300 -0.177 0.000 1.388 386 R HN -0.004 nan 8.270 nan 0.000 0.776 387 T N -1.336 112.507 114.554 -1.185 0.000 2.700 387 T HA 0.366 4.710 4.350 -0.009 0.000 0.307 387 T C -0.391 174.065 174.700 -0.407 0.000 1.580 387 T CA -0.425 61.365 62.100 -0.517 0.000 0.992 387 T CB 1.188 69.863 68.868 -0.321 0.000 1.577 387 T HN 0.445 nan 8.240 nan 0.000 0.496 388 G N 0.544 109.282 108.800 -0.104 0.000 2.544 388 G HA2 0.473 4.427 3.960 -0.009 0.000 0.242 388 G HA3 0.473 4.427 3.960 -0.009 0.000 0.242 388 G C 1.356 176.180 174.900 -0.127 0.000 1.247 388 G CA 0.216 45.228 45.100 -0.147 0.000 0.840 388 G HN 1.091 nan 8.290 nan 0.000 0.578 389 A N 1.792 124.554 122.820 -0.098 0.000 1.908 389 A HA -0.007 4.307 4.320 -0.009 0.000 0.218 389 A C 1.315 178.726 177.584 -0.287 0.000 1.181 389 A CA 2.072 53.925 52.037 -0.307 0.000 0.627 389 A CB -0.561 18.010 19.000 -0.716 0.000 0.818 389 A HN 1.049 nan 8.150 nan 0.000 0.445 390 N N -4.049 114.480 118.700 -0.284 0.000 2.647 390 N HA 0.451 5.186 4.740 -0.009 0.000 0.266 390 N C -2.935 172.554 175.510 -0.035 0.000 1.373 390 N CA -1.867 51.065 53.050 -0.196 0.000 0.807 390 N CB 0.600 38.922 38.487 -0.275 0.000 1.513 390 N HN -0.261 nan 8.380 nan 0.000 0.505 391 P HA 0.005 nan 4.420 nan 0.000 0.219 391 P C 1.268 178.644 177.300 0.127 0.000 1.146 391 P CA 1.853 64.912 63.100 -0.069 0.000 0.808 391 P CB -0.091 31.469 31.700 -0.233 0.000 0.779 392 G N -1.395 107.554 108.800 0.249 0.000 2.422 392 G HA2 -0.248 3.706 3.960 -0.009 0.000 0.218 392 G HA3 -0.248 3.706 3.960 -0.009 0.000 0.218 392 G C 1.326 176.424 174.900 0.331 0.000 1.146 392 G CA 0.288 45.541 45.100 0.256 0.000 0.769 392 G HN 0.212 nan 8.290 nan 0.000 0.547 393 F N -0.106 119.970 119.950 0.211 0.000 2.126 393 F HA -0.093 4.428 4.527 -0.010 0.000 0.299 393 F C 2.708 178.745 175.800 0.395 0.000 1.096 393 F CA 1.302 59.507 58.000 0.342 0.000 1.255 393 F CB -0.132 39.103 39.000 0.391 0.000 0.997 393 F HN 0.136 nan 8.300 nan 0.000 0.479 394 H N 0.438 119.835 119.070 0.545 0.000 2.387 394 H HA -0.107 4.443 4.556 -0.010 0.000 0.299 394 H C 1.985 177.488 175.328 0.293 0.000 1.090 394 H CA 1.499 57.844 56.048 0.494 0.000 1.332 394 H CB 0.071 30.008 29.762 0.291 0.000 1.386 394 H HN 0.226 nan 8.280 nan 0.000 0.516 395 E N 0.091 120.521 120.200 0.383 0.000 2.274 395 E HA -0.019 4.325 4.350 -0.009 0.000 0.194 395 E C 2.198 178.890 176.600 0.153 0.000 0.996 395 E CA 0.651 57.220 56.400 0.282 0.000 0.840 395 E CB -0.112 29.747 29.700 0.265 0.000 0.772 395 E HN 0.436 nan 8.360 nan 0.000 0.491 396 A N 0.983 123.885 122.820 0.137 0.000 1.970 396 A HA -0.044 4.271 4.320 -0.009 0.000 0.216 396 A C 2.530 180.124 177.584 0.018 0.000 1.170 396 A CA 0.693 52.776 52.037 0.078 0.000 0.645 396 A CB -0.427 18.666 19.000 0.155 0.000 0.816 396 A HN 0.100 nan 8.150 nan 0.000 0.447 397 V N 0.272 120.171 119.914 -0.025 0.000 2.219 397 V HA -0.267 3.847 4.120 -0.009 0.000 0.248 397 V C 2.833 178.835 176.094 -0.154 0.000 1.053 397 V CA 2.259 64.514 62.300 -0.075 0.000 1.009 397 V CB -1.629 30.081 31.823 -0.189 0.000 0.636 397 V HN 0.560 nan 8.190 nan 0.000 0.445 398 G N -0.727 107.939 108.800 -0.223 0.000 2.432 398 G HA2 -0.239 3.715 3.960 -0.009 0.000 0.219 398 G HA3 -0.239 3.715 3.960 -0.009 0.000 0.219 398 G C 1.170 175.956 174.900 -0.190 0.000 1.135 398 G CA 1.042 46.034 45.100 -0.179 0.000 0.767 398 G HN 0.535 nan 8.290 nan 0.000 0.550 399 D N 0.004 120.300 120.400 -0.174 0.000 2.183 399 D HA -0.043 4.592 4.640 -0.009 0.000 0.203 399 D C 2.729 178.772 176.300 -0.428 0.000 0.969 399 D CA 0.301 54.125 54.000 -0.293 0.000 0.842 399 D CB -0.140 40.467 40.800 -0.321 0.000 0.957 399 D HN 0.198 nan 8.370 nan 0.000 0.484 400 V N 1.018 120.757 119.914 -0.292 0.000 2.287 400 V HA -0.222 3.892 4.120 -0.009 0.000 0.248 400 V C 2.527 178.445 176.094 -0.294 0.000 1.053 400 V CA 1.137 63.312 62.300 -0.208 0.000 1.027 400 V CB -0.405 31.513 31.823 0.158 0.000 0.646 400 V HN 0.279 nan 8.190 nan 0.000 0.447 401 L N -0.304 120.654 121.223 -0.441 0.000 2.027 401 L HA -0.133 4.201 4.340 -0.009 0.000 0.206 401 L C 2.632 179.031 176.870 -0.786 0.000 1.074 401 L CA 1.931 56.317 54.840 -0.757 0.000 0.745 401 L CB -1.116 40.345 42.059 -0.996 0.000 0.898 401 L HN 0.354 nan 8.230 nan 0.000 0.433 402 S N 0.209 115.527 115.700 -0.636 0.000 2.383 402 S HA -0.149 4.315 4.470 -0.009 0.000 0.229 402 S C 2.061 176.186 174.600 -0.792 0.000 1.030 402 S CA 1.060 58.854 58.200 -0.677 0.000 1.002 402 S CB -0.241 62.641 63.200 -0.530 0.000 0.829 402 S HN 0.279 nan 8.310 nan 0.000 0.467 403 L N 1.356 122.124 121.223 -0.758 0.000 2.042 403 L HA -0.161 4.174 4.340 -0.009 0.000 0.210 403 L C 2.742 179.299 176.870 -0.522 0.000 1.076 403 L CA 1.617 55.961 54.840 -0.827 0.000 0.749 403 L CB -0.570 40.689 42.059 -1.333 0.000 0.893 403 L HN 0.458 nan 8.230 nan 0.000 0.432 404 S N -1.390 114.126 115.700 -0.307 0.000 2.414 404 S HA -0.088 4.376 4.470 -0.009 0.000 0.227 404 S C 1.855 176.379 174.600 -0.127 0.000 1.022 404 S CA 0.791 58.981 58.200 -0.016 0.000 0.958 404 S CB -0.489 62.838 63.200 0.211 0.000 0.797 404 S HN 0.156 nan 8.310 nan 0.000 0.493 405 V N 3.183 122.878 119.914 -0.365 0.000 2.490 405 V HA -0.125 3.989 4.120 -0.009 0.000 0.250 405 V C 3.061 179.156 176.094 0.002 0.000 1.061 405 V CA 1.866 63.976 62.300 -0.317 0.000 1.064 405 V CB -1.130 30.412 31.823 -0.468 0.000 0.670 405 V HN 0.833 nan 8.190 nan 0.000 0.461 406 S N 0.255 115.875 115.700 -0.134 0.000 2.481 406 S HA -0.072 4.392 4.470 -0.009 0.000 0.231 406 S C 1.218 175.824 174.600 0.010 0.000 0.996 406 S CA 0.660 58.840 58.200 -0.032 0.000 0.942 406 S CB -0.942 62.000 63.200 -0.430 0.000 0.768 406 S HN 0.736 nan 8.310 nan 0.000 0.520 407 T N 0.013 114.571 114.554 0.007 0.000 2.926 407 T HA 0.295 4.639 4.350 -0.009 0.000 0.307 407 T C -1.868 172.828 174.700 -0.007 0.000 1.059 407 T CA -1.264 60.852 62.100 0.027 0.000 1.122 407 T CB 0.618 69.532 68.868 0.077 0.000 0.972 407 T HN -0.042 nan 8.240 nan 0.000 0.545 408 P HA -0.090 nan 4.420 nan 0.000 0.216 408 P C 1.604 178.833 177.300 -0.118 0.000 1.150 408 P CA 1.010 63.953 63.100 -0.262 0.000 0.837 408 P CB 0.071 31.503 31.700 -0.447 0.000 0.786 409 K N -0.810 119.579 120.400 -0.019 0.000 2.015 409 K HA -0.287 4.027 4.320 -0.009 0.000 0.216 409 K C 2.195 178.807 176.600 0.022 0.000 1.052 409 K CA 1.949 58.249 56.287 0.021 0.000 0.937 409 K CB -0.619 31.919 32.500 0.062 0.000 0.719 409 K HN 0.142 nan 8.250 nan 0.000 0.446 410 H N -0.078 118.983 119.070 -0.015 0.000 2.363 410 H HA 0.031 4.580 4.556 -0.010 0.000 0.301 410 H C 1.888 177.189 175.328 -0.044 0.000 1.074 410 H CA 1.710 57.746 56.048 -0.020 0.000 1.354 410 H CB 0.039 29.831 29.762 0.052 0.000 1.397 410 H HN 0.160 nan 8.280 nan 0.000 0.516 411 L N 0.101 121.333 121.223 0.015 0.000 2.201 411 L HA -0.091 4.244 4.340 -0.009 0.000 0.212 411 L C 2.220 179.028 176.870 -0.104 0.000 1.105 411 L CA 1.080 55.898 54.840 -0.037 0.000 0.775 411 L CB -0.228 41.815 42.059 -0.026 0.000 0.913 411 L HN 0.426 nan 8.230 nan 0.000 0.440 412 E N 0.236 120.368 120.200 -0.114 0.000 2.107 412 E HA -0.190 4.155 4.350 -0.009 0.000 0.191 412 E C 2.091 178.622 176.600 -0.116 0.000 0.982 412 E CA 0.809 57.154 56.400 -0.092 0.000 0.809 412 E CB 0.074 29.738 29.700 -0.059 0.000 0.756 412 E HN 0.437 nan 8.360 nan 0.000 0.459 413 K N 0.830 121.120 120.400 -0.182 0.000 2.103 413 K HA -0.140 4.175 4.320 -0.009 0.000 0.207 413 K C 2.124 178.577 176.600 -0.244 0.000 1.048 413 K CA 1.382 57.527 56.287 -0.237 0.000 0.930 413 K CB -0.245 32.036 32.500 -0.365 0.000 0.716 413 K HN 0.298 nan 8.250 nan 0.000 0.444 414 I N -3.191 117.219 120.570 -0.267 0.000 3.861 414 I HA 0.294 4.458 4.170 -0.009 0.000 0.329 414 I C 0.647 176.735 176.117 -0.050 0.000 1.321 414 I CA 0.154 61.357 61.300 -0.161 0.000 1.126 414 I CB 0.065 37.980 38.000 -0.142 0.000 1.018 414 I HN 0.176 nan 8.210 nan 0.000 0.407 415 G N 2.059 110.822 108.800 -0.062 0.000 2.168 415 G HA2 -0.275 3.679 3.960 -0.009 0.000 0.257 415 G HA3 -0.275 3.679 3.960 -0.009 0.000 0.257 415 G C 0.598 175.483 174.900 -0.024 0.000 0.997 415 G CA 0.676 45.760 45.100 -0.027 0.000 0.708 415 G HN 0.513 nan 8.290 nan 0.000 0.520 416 L N -1.475 119.721 121.223 -0.045 0.000 2.416 416 L HA 0.398 4.732 4.340 -0.009 0.000 0.216 416 L C 1.059 177.890 176.870 -0.064 0.000 1.098 416 L CA 0.209 55.005 54.840 -0.073 0.000 0.840 416 L CB 0.216 42.215 42.059 -0.099 0.000 0.981 416 L HN 0.281 nan 8.230 nan 0.000 0.462 417 L N 0.962 122.150 121.223 -0.058 0.000 2.319 417 L HA 0.384 4.718 4.340 -0.009 0.000 0.281 417 L C -0.621 176.246 176.870 -0.005 0.000 1.005 417 L CA -0.107 54.703 54.840 -0.050 0.000 0.828 417 L CB 0.966 42.947 42.059 -0.130 0.000 1.227 417 L HN -0.094 nan 8.230 nan 0.000 0.415 418 K N 4.063 124.482 120.400 0.032 0.000 2.259 418 K HA 0.442 4.756 4.320 -0.009 0.000 0.249 418 K C -0.703 175.947 176.600 0.085 0.000 0.942 418 K CA -0.818 55.496 56.287 0.046 0.000 0.816 418 K CB 1.432 33.947 32.500 0.025 0.000 1.155 418 K HN 0.573 nan 8.250 nan 0.000 0.428 419 D N 1.176 121.621 120.400 0.075 0.000 2.708 419 D HA -0.250 4.384 4.640 -0.009 0.000 0.236 419 D C -0.945 175.413 176.300 0.096 0.000 1.146 419 D CA 1.092 55.132 54.000 0.066 0.000 0.662 419 D CB -1.238 39.585 40.800 0.037 0.000 1.059 419 D HN 0.456 nan 8.370 nan 0.000 0.428 420 Y N 0.104 120.401 120.300 -0.005 0.000 2.327 420 Y HA 0.394 4.939 4.550 -0.009 0.000 0.336 420 Y C -0.146 175.749 175.900 -0.008 0.000 1.035 420 Y CA -0.585 57.513 58.100 -0.003 0.000 1.165 420 Y CB 1.029 39.490 38.460 0.001 0.000 1.181 420 Y HN -0.137 nan 8.280 nan 0.000 0.494 421 V N 8.076 127.733 119.914 -0.428 0.000 2.357 421 V HA 0.341 4.455 4.120 -0.009 0.000 0.284 421 V C 0.100 175.898 176.094 -0.495 0.000 1.018 421 V CA -0.909 61.204 62.300 -0.312 0.000 0.841 421 V CB 1.219 32.917 31.823 -0.208 0.000 0.991 421 V HN 0.709 nan 8.190 nan 0.000 0.437 422 R N 3.713 124.081 120.500 -0.220 0.000 4.138 422 R HA 0.173 4.507 4.340 -0.009 0.000 0.206 422 R C -0.186 176.055 176.300 -0.099 0.000 1.667 422 R CA -0.421 55.618 56.100 -0.101 0.000 1.481 422 R CB -0.238 30.155 30.300 0.156 0.000 1.388 422 R HN 0.930 nan 8.270 nan 0.000 0.776 423 D N -0.449 119.849 120.400 -0.169 0.000 2.451 423 D HA 0.034 4.668 4.640 -0.009 0.000 0.259 423 D C 0.457 176.667 176.300 -0.150 0.000 1.201 423 D CA -0.579 53.334 54.000 -0.144 0.000 1.028 423 D CB 0.612 41.312 40.800 -0.167 0.000 1.095 423 D HN -0.022 nan 8.370 nan 0.000 0.539 424 D N -0.729 119.578 120.400 -0.155 0.000 2.149 424 D HA -0.153 4.482 4.640 -0.009 0.000 0.198 424 D C 1.603 177.739 176.300 -0.272 0.000 0.990 424 D CA 1.269 55.171 54.000 -0.163 0.000 0.839 424 D CB -0.034 40.686 40.800 -0.133 0.000 0.948 424 D HN 0.560 nan 8.370 nan 0.000 0.460 425 E N 0.143 120.084 120.200 -0.431 0.000 2.072 425 E HA -0.022 4.322 4.350 -0.009 0.000 0.190 425 E C 2.127 178.523 176.600 -0.340 0.000 0.982 425 E CA 0.780 56.730 56.400 -0.750 0.000 0.803 425 E CB -0.037 28.966 29.700 -1.161 0.000 0.755 425 E HN 0.189 nan 8.360 nan 0.000 0.453 426 A N 1.744 124.424 122.820 -0.233 0.000 1.933 426 A HA -0.211 4.103 4.320 -0.009 0.000 0.218 426 A C 2.104 179.695 177.584 0.012 0.000 1.175 426 A CA 1.324 53.299 52.037 -0.103 0.000 0.628 426 A CB -0.450 18.399 19.000 -0.252 0.000 0.814 426 A HN 0.058 nan 8.150 nan 0.000 0.444 427 R N -0.374 120.107 120.500 -0.032 0.000 2.081 427 R HA -0.111 4.223 4.340 -0.009 0.000 0.235 427 R C 1.842 178.140 176.300 -0.003 0.000 1.131 427 R CA 1.612 57.717 56.100 0.007 0.000 0.960 427 R CB -0.299 29.986 30.300 -0.026 0.000 0.856 427 R HN 0.450 nan 8.270 nan 0.000 0.436 428 I N 1.538 122.057 120.570 -0.085 0.000 2.226 428 I HA -0.268 3.897 4.170 -0.009 0.000 0.245 428 I C 1.790 177.893 176.117 -0.023 0.000 1.100 428 I CA 1.456 62.666 61.300 -0.151 0.000 1.374 428 I CB -1.547 36.163 38.000 -0.483 0.000 1.057 428 I HN 0.318 nan 8.210 nan 0.000 0.413 429 N N 0.370 119.102 118.700 0.053 0.000 2.061 429 N HA -0.295 4.439 4.740 -0.009 0.000 0.193 429 N C 1.861 177.498 175.510 0.212 0.000 1.030 429 N CA 1.383 54.519 53.050 0.142 0.000 0.856 429 N CB -0.097 38.485 38.487 0.158 0.000 1.023 429 N HN 0.331 nan 8.380 nan 0.000 0.424 430 Q N 1.291 121.201 119.800 0.183 0.000 2.079 430 Q HA 0.000 4.335 4.340 -0.009 0.000 0.200 430 Q C 1.898 178.024 176.000 0.211 0.000 0.974 430 Q CA 1.162 57.077 55.803 0.187 0.000 0.840 430 Q CB -0.269 28.565 28.738 0.160 0.000 0.898 430 Q HN 0.374 nan 8.270 nan 0.000 0.430 431 L N -0.567 120.777 121.223 0.202 0.000 2.046 431 L HA -0.139 4.195 4.340 -0.009 0.000 0.208 431 L C 2.201 179.309 176.870 0.396 0.000 1.077 431 L CA 1.369 56.379 54.840 0.284 0.000 0.747 431 L CB -0.462 41.724 42.059 0.212 0.000 0.896 431 L HN 0.287 nan 8.230 nan 0.000 0.432 432 F N -0.087 119.968 119.950 0.175 0.000 2.102 432 F HA -0.285 4.237 4.527 -0.009 0.000 0.298 432 F C 2.303 178.217 175.800 0.189 0.000 1.105 432 F CA 1.362 59.461 58.000 0.166 0.000 1.239 432 F CB -0.038 39.020 39.000 0.095 0.000 0.991 432 F HN -0.046 nan 8.300 nan 0.000 0.474 433 L N 0.189 121.595 121.223 0.306 0.000 2.013 433 L HA -0.233 4.101 4.340 -0.009 0.000 0.212 433 L C 2.253 179.213 176.870 0.149 0.000 1.073 433 L CA 2.531 57.499 54.840 0.213 0.000 0.753 433 L CB -1.332 40.859 42.059 0.220 0.000 0.890 433 L HN 0.169 nan 8.230 nan 0.000 0.432 434 T N -0.112 114.566 114.554 0.206 0.000 2.708 434 T HA -0.159 4.186 4.350 -0.009 0.000 0.266 434 T C 1.913 176.746 174.700 0.222 0.000 1.037 434 T CA 1.408 63.645 62.100 0.229 0.000 1.146 434 T CB -0.644 68.427 68.868 0.337 0.000 0.865 434 T HN 0.536 nan 8.240 nan 0.000 0.435 435 A N 1.297 124.230 122.820 0.189 0.000 1.940 435 A HA 0.004 4.319 4.320 -0.009 0.000 0.219 435 A C 2.275 179.699 177.584 -0.268 0.000 1.176 435 A CA 1.154 53.041 52.037 -0.250 0.000 0.631 435 A CB -0.905 17.856 19.000 -0.398 0.000 0.814 435 A HN 0.498 nan 8.150 nan 0.000 0.446 436 L N -0.788 120.296 121.223 -0.232 0.000 2.191 436 L HA -0.177 4.157 4.340 -0.009 0.000 0.212 436 L C 1.626 178.431 176.870 -0.109 0.000 1.103 436 L CA 1.253 55.981 54.840 -0.185 0.000 0.769 436 L CB -0.391 41.653 42.059 -0.026 0.000 0.908 436 L HN 0.317 nan 8.230 nan 0.000 0.438 437 D N -0.982 119.408 120.400 -0.017 0.000 2.323 437 D HA -0.043 4.591 4.640 -0.009 0.000 0.218 437 D C 2.182 178.572 176.300 0.151 0.000 0.973 437 D CA 0.685 54.716 54.000 0.052 0.000 0.890 437 D CB 0.272 41.107 40.800 0.059 0.000 1.011 437 D HN 0.067 nan 8.370 nan 0.000 0.499 438 K N 0.306 120.781 120.400 0.125 0.000 2.168 438 K HA 0.142 4.457 4.320 -0.009 0.000 0.201 438 K C 1.971 178.678 176.600 0.179 0.000 1.049 438 K CA 0.214 56.667 56.287 0.276 0.000 0.974 438 K CB 0.348 33.024 32.500 0.293 0.000 0.792 438 K HN 0.112 nan 8.250 nan 0.000 0.463 439 I N 0.994 121.478 120.570 -0.142 0.000 2.339 439 I HA -0.123 4.042 4.170 -0.009 0.000 0.245 439 I C 2.383 178.463 176.117 -0.061 0.000 1.096 439 I CA 0.713 61.909 61.300 -0.174 0.000 1.408 439 I CB -1.038 36.743 38.000 -0.365 0.000 1.092 439 I HN -0.224 nan 8.210 nan 0.000 0.423 440 V N 1.173 120.999 119.914 -0.146 0.000 2.380 440 V HA -0.324 3.791 4.120 -0.009 0.000 0.251 440 V C 2.437 178.402 176.094 -0.216 0.000 1.063 440 V CA 1.991 64.116 62.300 -0.293 0.000 1.055 440 V CB -0.848 30.438 31.823 -0.896 0.000 0.657 440 V HN 0.298 nan 8.190 nan 0.000 0.455 441 F N 0.007 119.820 119.950 -0.228 0.000 2.234 441 F HA -0.128 4.394 4.527 -0.009 0.000 0.299 441 F C 1.966 177.678 175.800 -0.146 0.000 1.087 441 F CA 1.336 59.214 58.000 -0.203 0.000 1.340 441 F CB -0.152 38.639 39.000 -0.349 0.000 1.031 441 F HN 0.057 nan 8.300 nan 0.000 0.500 442 L N 1.014 122.203 121.223 -0.057 0.000 1.989 442 L HA -0.187 4.147 4.340 -0.009 0.000 0.211 442 L C -0.252 176.534 176.870 -0.140 0.000 1.071 442 L CA 1.553 56.359 54.840 -0.056 0.000 0.749 442 L CB -2.514 39.620 42.059 0.126 0.000 0.890 442 L HN 0.101 nan 8.230 nan 0.000 0.431 443 P HA -0.225 nan 4.420 nan 0.000 0.218 443 P C 1.676 178.814 177.300 -0.271 0.000 1.149 443 P CA 1.423 64.427 63.100 -0.159 0.000 0.817 443 P CB -0.141 31.516 31.700 -0.071 0.000 0.785 444 F N 1.941 121.650 119.950 -0.402 0.000 2.046 444 F HA -0.173 4.348 4.527 -0.010 0.000 0.297 444 F C 2.364 177.832 175.800 -0.554 0.000 1.123 444 F CA 2.098 59.836 58.000 -0.437 0.000 1.199 444 F CB -1.035 37.703 39.000 -0.436 0.000 0.972 444 F HN -0.071 nan 8.300 nan 0.000 0.474 445 A N 0.119 122.516 122.820 -0.705 0.000 1.940 445 A HA -0.213 4.102 4.320 -0.009 0.000 0.219 445 A C 2.193 179.536 177.584 -0.402 0.000 1.176 445 A CA 1.593 53.294 52.037 -0.560 0.000 0.631 445 A CB -1.538 17.139 19.000 -0.538 0.000 0.814 445 A HN 0.521 nan 8.150 nan 0.000 0.446 446 F N 1.863 121.441 119.950 -0.619 0.000 2.134 446 F HA -0.150 4.372 4.527 -0.009 0.000 0.299 446 F C 2.863 178.186 175.800 -0.796 0.000 1.097 446 F CA 1.885 59.468 58.000 -0.694 0.000 1.264 446 F CB -1.067 37.405 39.000 -0.881 0.000 1.001 446 F HN 0.426 nan 8.300 nan 0.000 0.479 447 T N -2.499 111.658 114.554 -0.663 0.000 2.915 447 T HA -0.179 4.165 4.350 -0.009 0.000 0.269 447 T C 2.035 176.369 174.700 -0.610 0.000 1.071 447 T CA 1.062 62.736 62.100 -0.710 0.000 1.132 447 T CB -0.345 68.134 68.868 -0.649 0.000 0.878 447 T HN 0.048 nan 8.240 nan 0.000 0.479 448 M N 1.920 121.095 119.600 -0.708 0.000 2.108 448 M HA -0.047 4.427 4.480 -0.009 0.000 0.261 448 M C 1.608 177.678 176.300 -0.383 0.000 1.066 448 M CA 1.562 56.501 55.300 -0.601 0.000 1.107 448 M CB -1.168 30.862 32.600 -0.950 0.000 1.356 448 M HN 0.263 nan 8.290 nan 0.000 0.406 449 D N -0.380 119.721 120.400 -0.497 0.000 2.240 449 D HA -0.008 4.626 4.640 -0.009 0.000 0.206 449 D C 2.011 177.609 176.300 -1.170 0.000 0.963 449 D CA 0.679 54.225 54.000 -0.756 0.000 0.863 449 D CB 0.002 40.318 40.800 -0.807 0.000 0.973 449 D HN 0.285 nan 8.370 nan 0.000 0.501 450 K N -0.204 119.646 120.400 -0.917 0.000 2.103 450 K HA -0.193 4.122 4.320 -0.009 0.000 0.207 450 K C 1.979 178.415 176.600 -0.273 0.000 1.048 450 K CA 0.897 56.842 56.287 -0.570 0.000 0.930 450 K CB -0.195 31.933 32.500 -0.620 0.000 0.716 450 K HN 0.174 nan 8.250 nan 0.000 0.444 451 Y N 1.818 121.879 120.300 -0.398 0.000 2.089 451 Y HA -0.207 4.337 4.550 -0.010 0.000 0.282 451 Y C 2.132 177.850 175.900 -0.304 0.000 1.139 451 Y CA 1.542 59.475 58.100 -0.278 0.000 1.123 451 Y CB -0.103 38.237 38.460 -0.200 0.000 0.980 451 Y HN -0.101 nan 8.280 nan 0.000 0.493 452 R N -1.199 119.039 120.500 -0.436 0.000 2.096 452 R HA -0.206 4.128 4.340 -0.009 0.000 0.235 452 R C 2.097 177.900 176.300 -0.828 0.000 1.127 452 R CA 1.484 57.131 56.100 -0.756 0.000 0.968 452 R CB -0.638 29.377 30.300 -0.476 0.000 0.861 452 R HN 0.411 nan 8.270 nan 0.000 0.440 453 W N 0.984 122.036 121.300 -0.414 0.000 2.335 453 W HA -0.178 4.477 4.660 -0.010 0.000 0.311 453 W C 2.650 179.034 176.519 -0.224 0.000 1.213 453 W CA 1.455 58.682 57.345 -0.196 0.000 1.274 453 W CB -1.399 28.047 29.460 -0.023 0.000 1.148 453 W HN 0.190 nan 8.180 nan 0.000 0.498 454 S N -0.037 115.641 115.700 -0.036 0.000 2.399 454 S HA -0.146 4.318 4.470 -0.009 0.000 0.231 454 S C 1.944 176.428 174.600 -0.195 0.000 1.022 454 S CA 1.339 59.489 58.200 -0.084 0.000 0.983 454 S CB -0.869 62.281 63.200 -0.085 0.000 0.803 454 S HN 0.253 nan 8.310 nan 0.000 0.480 455 L N -0.516 120.432 121.223 -0.458 0.000 2.044 455 L HA 0.094 4.428 4.340 -0.009 0.000 0.205 455 L C 2.593 179.363 176.870 -0.165 0.000 1.075 455 L CA 1.331 55.864 54.840 -0.510 0.000 0.747 455 L CB -0.790 40.661 42.059 -1.013 0.000 0.903 455 L HN 0.290 nan 8.230 nan 0.000 0.435 456 F N 0.499 120.312 119.950 -0.228 0.000 2.126 456 F HA -0.218 4.303 4.527 -0.010 0.000 0.299 456 F C 2.588 178.318 175.800 -0.116 0.000 1.096 456 F CA 0.750 58.630 58.000 -0.201 0.000 1.255 456 F CB -0.181 38.675 39.000 -0.239 0.000 0.997 456 F HN 0.010 nan 8.300 nan 0.000 0.479 457 R N 0.185 120.755 120.500 0.117 0.000 2.323 457 R HA 0.068 4.402 4.340 -0.009 0.000 0.198 457 R C 1.290 177.625 176.300 0.059 0.000 0.988 457 R CA 0.557 56.696 56.100 0.066 0.000 1.041 457 R CB -0.280 30.052 30.300 0.053 0.000 0.926 457 R HN 0.363 nan 8.270 nan 0.000 0.476 458 G N 1.416 110.259 108.800 0.072 0.000 2.198 458 G HA2 -0.300 3.655 3.960 -0.009 0.000 0.257 458 G HA3 -0.300 3.655 3.960 -0.009 0.000 0.257 458 G C 0.311 175.268 174.900 0.095 0.000 1.042 458 G CA 0.415 45.575 45.100 0.100 0.000 0.791 458 G HN 0.467 nan 8.290 nan 0.000 0.502 459 E N -1.314 118.931 120.200 0.075 0.000 2.442 459 E HA 0.251 4.595 4.350 -0.009 0.000 0.195 459 E C 0.594 177.256 176.600 0.103 0.000 1.030 459 E CA 0.491 56.935 56.400 0.074 0.000 0.869 459 E CB 0.704 30.436 29.700 0.053 0.000 0.857 459 E HN 0.393 nan 8.360 nan 0.000 0.505 460 V N 2.259 122.261 119.914 0.148 0.000 2.487 460 V HA 0.133 4.247 4.120 -0.009 0.000 0.298 460 V C -0.391 175.937 176.094 0.390 0.000 1.028 460 V CA -1.092 61.352 62.300 0.239 0.000 0.860 460 V CB 1.836 33.782 31.823 0.205 0.000 0.991 460 V HN 0.000 nan 8.190 nan 0.000 0.427 461 D N 3.223 123.787 120.400 0.273 0.000 2.414 461 D HA 0.110 4.745 4.640 -0.009 0.000 0.242 461 D C 1.081 177.447 176.300 0.110 0.000 1.129 461 D CA 0.015 54.121 54.000 0.177 0.000 0.885 461 D CB 1.438 42.295 40.800 0.095 0.000 1.198 461 D HN 0.457 nan 8.370 nan 0.000 0.437 462 K N 1.406 121.658 120.400 -0.247 0.000 2.160 462 K HA -0.196 4.118 4.320 -0.009 0.000 0.206 462 K C 1.732 178.085 176.600 -0.412 0.000 1.047 462 K CA 1.257 57.014 56.287 -0.883 0.000 0.930 462 K CB 0.001 32.019 32.500 -0.803 0.000 0.720 462 K HN 0.426 nan 8.250 nan 0.000 0.450 463 A N 1.186 123.921 122.820 -0.142 0.000 2.125 463 A HA -0.152 4.163 4.320 -0.009 0.000 0.219 463 A C 1.073 178.716 177.584 0.098 0.000 1.156 463 A CA 1.476 53.502 52.037 -0.019 0.000 0.671 463 A CB -0.334 18.668 19.000 0.003 0.000 0.794 463 A HN 0.419 nan 8.150 nan 0.000 0.459 464 N N -2.280 116.534 118.700 0.189 0.000 2.200 464 N HA 0.078 4.813 4.740 -0.009 0.000 0.224 464 N C 0.516 176.311 175.510 0.476 0.000 1.179 464 N CA -0.365 52.859 53.050 0.290 0.000 0.877 464 N CB 0.195 38.831 38.487 0.248 0.000 1.072 464 N HN 0.509 nan 8.380 nan 0.000 0.519 465 W N 1.497 122.946 121.300 0.249 0.000 2.358 465 W HA 0.030 4.684 4.660 -0.010 0.000 0.303 465 W C 2.081 178.880 176.519 0.466 0.000 1.208 465 W CA 0.582 58.157 57.345 0.383 0.000 1.274 465 W CB -0.745 28.976 29.460 0.435 0.000 1.138 465 W HN 0.250 nan 8.180 nan 0.000 0.515 466 N N -0.919 118.153 118.700 0.621 0.000 2.135 466 N HA -0.133 4.602 4.740 -0.009 0.000 0.186 466 N C 1.471 177.196 175.510 0.358 0.000 1.027 466 N CA 1.724 55.021 53.050 0.413 0.000 0.849 466 N CB -0.323 38.423 38.487 0.431 0.000 1.002 466 N HN -0.005 nan 8.380 nan 0.000 0.425 467 c N 0.760 119.583 118.600 0.372 0.000 2.448 467 c HA 0.128 4.693 4.570 -0.009 0.000 0.280 467 c C 2.825 177.084 174.090 0.282 0.000 1.398 467 c CA 0.344 56.878 56.329 0.343 0.000 1.774 467 c CB -1.197 41.475 42.510 0.271 0.000 1.888 467 c HN 0.500 nan 8.230 nan 0.000 0.519 468 A N 0.090 123.092 122.820 0.302 0.000 1.933 468 A HA -0.185 4.129 4.320 -0.009 0.000 0.218 468 A C 1.856 179.557 177.584 0.195 0.000 1.175 468 A CA 1.525 53.730 52.037 0.281 0.000 0.628 468 A CB -0.712 18.499 19.000 0.352 0.000 0.814 468 A HN 0.543 nan 8.150 nan 0.000 0.444 469 F N -0.897 118.950 119.950 -0.172 0.000 2.060 469 F HA -0.132 4.389 4.527 -0.010 0.000 0.295 469 F C 2.012 177.513 175.800 -0.499 0.000 1.120 469 F CA 1.657 59.166 58.000 -0.817 0.000 1.205 469 F CB -0.605 37.521 39.000 -1.457 0.000 0.986 469 F HN 0.383 nan 8.300 nan 0.000 0.470 470 W N 0.944 122.186 121.300 -0.097 0.000 2.402 470 W HA -0.087 4.567 4.660 -0.010 0.000 0.286 470 W C 2.432 178.894 176.519 -0.095 0.000 1.221 470 W CA 0.822 58.090 57.345 -0.128 0.000 1.257 470 W CB -0.333 29.147 29.460 0.033 0.000 1.120 470 W HN -0.085 nan 8.180 nan 0.000 0.551 471 K N 0.393 120.894 120.400 0.169 0.000 2.032 471 K HA -0.194 4.121 4.320 -0.009 0.000 0.209 471 K C 1.841 178.497 176.600 0.094 0.000 1.048 471 K CA 1.493 57.862 56.287 0.136 0.000 0.927 471 K CB -0.664 31.918 32.500 0.136 0.000 0.712 471 K HN 0.228 nan 8.250 nan 0.000 0.441 472 L N 0.631 121.856 121.223 0.003 0.000 2.056 472 L HA -0.175 4.159 4.340 -0.009 0.000 0.207 472 L C 2.494 179.366 176.870 0.004 0.000 1.078 472 L CA 0.957 55.806 54.840 0.015 0.000 0.749 472 L CB -0.306 41.661 42.059 -0.153 0.000 0.901 472 L HN 0.117 nan 8.230 nan 0.000 0.433 473 R N -0.061 120.330 120.500 -0.182 0.000 2.081 473 R HA -0.183 4.151 4.340 -0.009 0.000 0.235 473 R C 1.833 178.186 176.300 0.088 0.000 1.131 473 R CA 1.586 57.633 56.100 -0.089 0.000 0.960 473 R CB -0.955 29.282 30.300 -0.105 0.000 0.856 473 R HN 0.420 nan 8.270 nan 0.000 0.436 474 D N 0.920 121.395 120.400 0.125 0.000 2.077 474 D HA -0.197 4.438 4.640 -0.009 0.000 0.193 474 D C 1.766 178.254 176.300 0.314 0.000 0.989 474 D CA 1.510 55.598 54.000 0.147 0.000 0.831 474 D CB -0.162 40.742 40.800 0.173 0.000 0.979 474 D HN 0.318 nan 8.370 nan 0.000 0.449 475 E N -1.656 118.710 120.200 0.275 0.000 2.097 475 E HA -0.237 4.107 4.350 -0.009 0.000 0.196 475 E C 2.070 178.787 176.600 0.194 0.000 1.000 475 E CA 1.239 57.761 56.400 0.204 0.000 0.804 475 E CB -0.162 29.540 29.700 0.003 0.000 0.740 475 E HN 0.456 nan 8.360 nan 0.000 0.454 476 Y N -0.876 119.565 120.300 0.233 0.000 2.343 476 Y HA 0.125 4.669 4.550 -0.009 0.000 0.294 476 Y C 2.524 178.607 175.900 0.306 0.000 1.122 476 Y CA 0.847 59.089 58.100 0.238 0.000 1.173 476 Y CB 0.432 38.871 38.460 -0.033 0.000 1.077 476 Y HN -0.028 nan 8.280 nan 0.000 0.542 477 S N -1.526 114.358 115.700 0.306 0.000 2.502 477 S HA 0.201 4.665 4.470 -0.009 0.000 0.215 477 S C 1.411 176.001 174.600 -0.017 0.000 1.009 477 S CA 0.580 58.931 58.200 0.251 0.000 0.908 477 S CB 0.198 63.540 63.200 0.237 0.000 0.801 477 S HN 0.610 nan 8.310 nan 0.000 0.505 478 G N 2.300 110.764 108.800 -0.560 0.000 2.246 478 G HA2 -0.251 3.703 3.960 -0.009 0.000 0.273 478 G HA3 -0.251 3.703 3.960 -0.009 0.000 0.273 478 G C -0.098 174.468 174.900 -0.556 0.000 1.055 478 G CA 0.715 44.783 45.100 -1.720 0.000 0.851 478 G HN 0.599 nan 8.290 nan 0.000 0.500 479 I N -3.292 117.167 120.570 -0.186 0.000 3.067 479 I HA 1.046 5.210 4.170 -0.009 0.000 0.312 479 I C -0.348 175.737 176.117 -0.053 0.000 1.073 479 I CA -1.718 59.549 61.300 -0.055 0.000 1.016 479 I CB 2.140 40.206 38.000 0.109 0.000 1.227 479 I HN 0.443 nan 8.210 nan 0.000 0.456 480 E N 1.578 121.701 120.200 -0.129 0.000 2.412 480 E HA 0.619 4.964 4.350 -0.009 0.000 0.279 480 E C -3.129 173.160 176.600 -0.519 0.000 0.984 480 E CA -2.171 54.069 56.400 -0.267 0.000 0.788 480 E CB 1.698 31.252 29.700 -0.243 0.000 1.277 480 E HN 0.325 nan 8.360 nan 0.000 0.455 481 P HA 0.033 nan 4.420 nan 0.000 0.268 481 P C -1.881 174.791 177.300 -1.045 0.000 1.208 481 P CA -0.950 61.380 63.100 -1.285 0.000 0.777 481 P CB 0.184 31.031 31.700 -1.421 0.000 0.875 482 P HA -0.063 nan 4.420 nan 0.000 0.225 482 P C 0.180 177.036 177.300 -0.740 0.000 1.156 482 P CA 1.192 63.645 63.100 -1.079 0.000 0.787 482 P CB 0.184 30.933 31.700 -1.584 0.000 0.802 483 V N -4.186 115.295 119.914 -0.722 0.000 3.074 483 V HA 0.486 4.601 4.120 -0.009 0.000 0.314 483 V C -0.041 175.831 176.094 -0.370 0.000 1.117 483 V CA -1.430 60.616 62.300 -0.424 0.000 1.014 483 V CB 1.845 33.499 31.823 -0.281 0.000 1.057 483 V HN -0.333 nan 8.190 nan 0.000 0.438 484 V N 3.744 123.522 119.914 -0.227 0.000 2.485 484 V HA 0.344 4.459 4.120 -0.009 0.000 0.287 484 V C 0.562 176.587 176.094 -0.114 0.000 1.022 484 V CA 0.015 62.215 62.300 -0.167 0.000 1.067 484 V CB -0.181 31.584 31.823 -0.097 0.000 0.967 484 V HN 0.891 nan 8.190 nan 0.000 0.479 485 R N 3.342 123.775 120.500 -0.113 0.000 2.782 485 R HA 0.817 5.151 4.340 -0.009 0.000 0.258 485 R C 0.095 176.437 176.300 0.071 0.000 1.055 485 R CA -0.445 55.660 56.100 0.009 0.000 1.065 485 R CB 1.860 32.182 30.300 0.036 0.000 1.172 485 R HN 0.858 nan 8.270 nan 0.000 0.510 486 S N -1.156 114.627 115.700 0.139 0.000 2.819 486 S HA 0.288 4.753 4.470 -0.009 0.000 0.299 486 S C 0.127 174.848 174.600 0.201 0.000 1.192 486 S CA -0.779 57.509 58.200 0.147 0.000 0.847 486 S CB 1.310 64.570 63.200 0.101 0.000 1.224 486 S HN 0.412 nan 8.310 nan 0.000 0.537 487 E N 0.598 120.905 120.200 0.179 0.000 2.511 487 E HA 0.086 4.430 4.350 -0.009 0.000 0.196 487 E C 1.027 177.726 176.600 0.166 0.000 1.066 487 E CA 0.298 56.817 56.400 0.197 0.000 0.871 487 E CB -0.207 29.589 29.700 0.160 0.000 0.863 487 E HN 0.531 nan 8.360 nan 0.000 0.520 488 K N 0.612 121.096 120.400 0.140 0.000 2.296 488 K HA -0.014 4.300 4.320 -0.009 0.000 0.200 488 K C 0.496 177.188 176.600 0.153 0.000 1.048 488 K CA 0.560 56.917 56.287 0.118 0.000 0.966 488 K CB 0.289 32.843 32.500 0.089 0.000 0.754 488 K HN 0.096 nan 8.250 nan 0.000 0.466 489 D N -0.417 120.106 120.400 0.204 0.000 2.332 489 D HA 0.185 4.819 4.640 -0.009 0.000 0.252 489 D C -1.018 175.494 176.300 0.352 0.000 1.050 489 D CA -0.294 53.852 54.000 0.244 0.000 0.970 489 D CB 1.281 42.232 40.800 0.252 0.000 1.141 489 D HN -0.165 nan 8.370 nan 0.000 0.485 490 F N 1.207 121.225 119.950 0.113 0.000 2.902 490 F HA 0.176 4.697 4.527 -0.010 0.000 0.368 490 F C 0.094 175.869 175.800 -0.043 0.000 1.202 490 F CA -0.651 57.381 58.000 0.053 0.000 1.109 490 F CB 1.030 40.056 39.000 0.044 0.000 1.418 490 F HN 0.069 nan 8.300 nan 0.000 0.527 491 D N 2.972 123.098 120.400 -0.457 0.000 2.327 491 D HA 0.097 4.731 4.640 -0.009 0.000 0.205 491 D C 2.113 177.921 176.300 -0.819 0.000 0.989 491 D CA 0.893 54.724 54.000 -0.282 0.000 0.873 491 D CB 0.458 41.463 40.800 0.340 0.000 0.955 491 D HN 0.567 nan 8.370 nan 0.000 0.515 492 A N 2.143 123.991 122.820 -1.621 0.000 1.892 492 A HA -0.149 4.165 4.320 -0.009 0.000 0.218 492 A C -0.395 176.649 177.584 -0.901 0.000 1.188 492 A CA 1.393 52.375 52.037 -1.760 0.000 0.631 492 A CB -1.527 16.422 19.000 -1.751 0.000 0.822 492 A HN 0.162 nan 8.150 nan 0.000 0.447 493 P HA 0.052 nan 4.420 nan 0.000 0.239 493 P C 1.157 178.367 177.300 -0.150 0.000 1.184 493 P CA 1.074 63.966 63.100 -0.347 0.000 0.760 493 P CB -0.050 31.534 31.700 -0.194 0.000 0.884 494 A N -0.880 121.798 122.820 -0.237 0.000 2.172 494 A HA -0.106 4.209 4.320 -0.009 0.000 0.216 494 A C 1.341 179.196 177.584 0.453 0.000 1.154 494 A CA 0.890 52.852 52.037 -0.125 0.000 0.701 494 A CB -0.793 17.748 19.000 -0.765 0.000 0.789 494 A HN 0.056 nan 8.150 nan 0.000 0.465 495 K N -0.876 119.599 120.400 0.125 0.000 2.227 495 K HA 0.316 4.630 4.320 -0.009 0.000 0.280 495 K C 0.459 176.920 176.600 -0.231 0.000 1.041 495 K CA -0.671 55.540 56.287 -0.127 0.000 0.905 495 K CB 0.217 32.552 32.500 -0.275 0.000 1.068 495 K HN 0.244 nan 8.250 nan 0.000 0.470 496 Y N 4.198 124.174 120.300 -0.540 0.000 2.069 496 Y HA -0.334 4.211 4.550 -0.008 0.000 0.278 496 Y C 1.154 176.676 175.900 -0.630 0.000 1.175 496 Y CA 2.396 59.857 58.100 -1.066 0.000 1.134 496 Y CB -0.325 37.539 38.460 -0.993 0.000 0.965 496 Y HN 0.941 nan 8.280 nan 0.000 0.498 497 H N -0.411 118.350 119.070 -0.516 0.000 2.457 497 H HA -0.142 4.408 4.556 -0.009 0.000 0.297 497 H C 2.244 177.403 175.328 -0.282 0.000 1.092 497 H CA 1.986 57.820 56.048 -0.356 0.000 1.309 497 H CB -0.372 29.433 29.762 0.072 0.000 1.382 497 H HN 0.429 nan 8.280 nan 0.000 0.535 498 I N -0.909 119.567 120.570 -0.157 0.000 2.333 498 I HA -0.186 3.978 4.170 -0.009 0.000 0.246 498 I C 2.152 178.232 176.117 -0.062 0.000 1.106 498 I CA 0.829 62.102 61.300 -0.046 0.000 1.411 498 I CB -0.150 37.770 38.000 -0.133 0.000 1.082 498 I HN 0.127 nan 8.210 nan 0.000 0.420 499 S N 0.731 116.286 115.700 -0.241 0.000 2.382 499 S HA -0.074 4.391 4.470 -0.009 0.000 0.228 499 S C 1.931 176.331 174.600 -0.332 0.000 1.027 499 S CA 1.389 59.460 58.200 -0.215 0.000 0.991 499 S CB -0.144 62.935 63.200 -0.201 0.000 0.823 499 S HN 0.518 nan 8.310 nan 0.000 0.469 500 A N 0.499 122.974 122.820 -0.574 0.000 2.275 500 A HA 0.264 4.578 4.320 -0.009 0.000 0.212 500 A C 0.551 177.954 177.584 -0.300 0.000 1.201 500 A CA 0.447 52.149 52.037 -0.557 0.000 0.843 500 A CB -0.242 18.090 19.000 -1.113 0.000 0.873 500 A HN 0.397 nan 8.150 nan 0.000 0.492 501 D N -0.957 119.327 120.400 -0.194 0.000 2.737 501 D HA -0.132 4.502 4.640 -0.009 0.000 0.238 501 D C -0.841 175.541 176.300 0.137 0.000 1.157 501 D CA 0.833 54.875 54.000 0.069 0.000 0.694 501 D CB -1.608 39.238 40.800 0.076 0.000 1.021 501 D HN 0.197 nan 8.370 nan 0.000 0.420 502 V N 1.973 121.922 119.914 0.058 0.000 2.409 502 V HA 0.282 4.397 4.120 -0.009 0.000 0.291 502 V C 0.658 176.728 176.094 -0.040 0.000 1.020 502 V CA -0.981 61.330 62.300 0.019 0.000 0.848 502 V CB 1.693 33.535 31.823 0.031 0.000 0.990 502 V HN 0.302 nan 8.190 nan 0.000 0.430 503 E N 2.836 122.761 120.200 -0.460 0.000 2.452 503 E HA -0.094 4.250 4.350 -0.009 0.000 0.261 503 E C -0.603 175.814 176.600 -0.305 0.000 0.987 503 E CA 0.460 56.273 56.400 -0.980 0.000 0.926 503 E CB 0.674 29.504 29.700 -1.449 0.000 0.934 503 E HN 0.697 nan 8.360 nan 0.000 0.452 504 Y N 3.924 124.039 120.300 -0.308 0.000 2.462 504 Y HA 0.022 4.566 4.550 -0.010 0.000 0.253 504 Y C 1.845 177.719 175.900 -0.044 0.000 1.095 504 Y CA 0.039 58.102 58.100 -0.062 0.000 1.283 504 Y CB 0.340 38.720 38.460 -0.134 0.000 1.138 504 Y HN 0.596 nan 8.280 nan 0.000 0.522 505 L N 1.500 122.727 121.223 0.007 0.000 2.187 505 L HA -0.240 4.095 4.340 -0.009 0.000 0.213 505 L C 2.576 179.450 176.870 0.006 0.000 1.100 505 L CA 1.849 56.708 54.840 0.031 0.000 0.765 505 L CB -0.506 41.676 42.059 0.205 0.000 0.904 505 L HN 0.262 nan 8.230 nan 0.000 0.437 506 R N -1.851 118.622 120.500 -0.045 0.000 2.133 506 R HA -0.272 4.062 4.340 -0.009 0.000 0.247 506 R C 1.972 178.153 176.300 -0.197 0.000 1.151 506 R CA 2.317 58.343 56.100 -0.123 0.000 0.971 506 R CB -1.348 28.733 30.300 -0.364 0.000 0.866 506 R HN 0.362 nan 8.270 nan 0.000 0.447 507 Y N 0.775 121.024 120.300 -0.085 0.000 2.286 507 Y HA -0.048 4.496 4.550 -0.010 0.000 0.293 507 Y C 2.279 178.255 175.900 0.126 0.000 1.124 507 Y CA 0.664 58.767 58.100 0.005 0.000 1.178 507 Y CB -0.442 37.895 38.460 -0.205 0.000 1.010 507 Y HN 0.030 nan 8.280 nan 0.000 0.536 508 L N -0.370 120.919 121.223 0.109 0.000 2.017 508 L HA -0.152 4.182 4.340 -0.009 0.000 0.208 508 L C 2.154 179.037 176.870 0.022 0.000 1.073 508 L CA 1.496 56.330 54.840 -0.010 0.000 0.745 508 L CB -0.945 40.958 42.059 -0.261 0.000 0.894 508 L HN 0.049 nan 8.230 nan 0.000 0.432 509 V N -0.837 119.070 119.914 -0.012 0.000 2.287 509 V HA -0.317 3.797 4.120 -0.009 0.000 0.248 509 V C 2.785 178.903 176.094 0.040 0.000 1.053 509 V CA 1.928 64.221 62.300 -0.013 0.000 1.027 509 V CB -1.133 30.725 31.823 0.058 0.000 0.646 509 V HN 0.683 nan 8.190 nan 0.000 0.447 510 S N -0.353 115.428 115.700 0.136 0.000 2.359 510 S HA -0.251 4.213 4.470 -0.009 0.000 0.223 510 S C 1.894 176.608 174.600 0.189 0.000 1.039 510 S CA 2.096 60.395 58.200 0.165 0.000 1.042 510 S CB -0.546 62.830 63.200 0.294 0.000 0.915 510 S HN 0.555 nan 8.310 nan 0.000 0.439 511 F N 0.762 120.750 119.950 0.063 0.000 2.365 511 F HA 0.055 4.576 4.527 -0.010 0.000 0.300 511 F C 1.993 177.887 175.800 0.157 0.000 1.090 511 F CA 0.680 58.751 58.000 0.119 0.000 1.408 511 F CB -0.143 38.976 39.000 0.198 0.000 1.060 511 F HN 0.258 nan 8.300 nan 0.000 0.534 512 I N 0.366 121.055 120.570 0.198 0.000 2.206 512 I HA -0.240 3.924 4.170 -0.009 0.000 0.239 512 I C 2.358 178.458 176.117 -0.029 0.000 1.078 512 I CA 1.220 62.562 61.300 0.069 0.000 1.367 512 I CB -0.486 37.495 38.000 -0.030 0.000 1.078 512 I HN 0.066 nan 8.210 nan 0.000 0.413 513 I N 0.008 120.454 120.570 -0.207 0.000 2.493 513 I HA -0.241 3.923 4.170 -0.009 0.000 0.254 513 I C 2.498 178.163 176.117 -0.754 0.000 1.160 513 I CA 1.144 62.111 61.300 -0.555 0.000 1.445 513 I CB -0.806 36.710 38.000 -0.806 0.000 1.086 513 I HN 0.375 nan 8.210 nan 0.000 0.433 514 Q N 1.171 120.720 119.800 -0.419 0.000 2.234 514 Q HA -0.186 4.148 4.340 -0.009 0.000 0.206 514 Q C 1.737 177.504 176.000 -0.388 0.000 0.980 514 Q CA 1.739 57.323 55.803 -0.365 0.000 0.869 514 Q CB -0.731 27.773 28.738 -0.390 0.000 0.912 514 Q HN 0.567 nan 8.270 nan 0.000 0.436 515 F N 1.395 121.193 119.950 -0.253 0.000 2.293 515 F HA 0.005 4.527 4.527 -0.009 0.000 0.297 515 F C 2.462 178.211 175.800 -0.085 0.000 1.089 515 F CA 1.007 58.925 58.000 -0.137 0.000 1.377 515 F CB 0.020 38.939 39.000 -0.135 0.000 1.051 515 F HN 0.064 nan 8.300 nan 0.000 0.511 516 Q N -0.203 119.554 119.800 -0.072 0.000 2.050 516 Q HA -0.181 4.153 4.340 -0.009 0.000 0.202 516 Q C 2.191 178.143 176.000 -0.080 0.000 0.980 516 Q CA 1.881 57.611 55.803 -0.122 0.000 0.840 516 Q CB -0.538 28.029 28.738 -0.285 0.000 0.898 516 Q HN 0.431 nan 8.270 nan 0.000 0.424 517 F N -0.770 119.025 119.950 -0.259 0.000 2.102 517 F HA -0.274 4.248 4.527 -0.009 0.000 0.298 517 F C 2.371 178.130 175.800 -0.069 0.000 1.105 517 F CA 0.734 58.440 58.000 -0.490 0.000 1.239 517 F CB -0.340 38.208 39.000 -0.754 0.000 0.991 517 F HN 0.116 nan 8.300 nan 0.000 0.474 518 Y N 1.492 121.799 120.300 0.012 0.000 2.145 518 Y HA -0.259 4.285 4.550 -0.010 0.000 0.286 518 Y C 2.510 178.448 175.900 0.063 0.000 1.145 518 Y CA 1.812 59.908 58.100 -0.006 0.000 1.148 518 Y CB -0.596 37.733 38.460 -0.220 0.000 0.981 518 Y HN -0.097 nan 8.280 nan 0.000 0.507 519 K N -0.534 119.912 120.400 0.077 0.000 2.020 519 K HA -0.200 4.114 4.320 -0.009 0.000 0.212 519 K C 2.265 178.922 176.600 0.095 0.000 1.050 519 K CA 2.042 58.345 56.287 0.027 0.000 0.929 519 K CB -0.365 32.207 32.500 0.121 0.000 0.714 519 K HN 0.307 nan 8.250 nan 0.000 0.443 520 S N 0.313 116.121 115.700 0.181 0.000 2.368 520 S HA -0.115 4.349 4.470 -0.009 0.000 0.225 520 S C 1.985 176.675 174.600 0.151 0.000 1.030 520 S CA 1.112 59.441 58.200 0.215 0.000 0.999 520 S CB -0.228 63.191 63.200 0.365 0.000 0.844 520 S HN 0.531 nan 8.310 nan 0.000 0.459 521 A N 0.514 123.458 122.820 0.207 0.000 1.902 521 A HA -0.143 4.171 4.320 -0.009 0.000 0.217 521 A C 2.389 179.982 177.584 0.015 0.000 1.181 521 A CA 1.524 53.634 52.037 0.122 0.000 0.623 521 A CB -1.219 17.951 19.000 0.283 0.000 0.818 521 A HN 0.624 nan 8.150 nan 0.000 0.443 522 c N -0.723 117.827 118.600 -0.083 0.000 2.446 522 c HA -0.036 4.528 4.570 -0.009 0.000 0.277 522 c C 2.547 176.653 174.090 0.026 0.000 1.275 522 c CA 0.818 57.086 56.329 -0.103 0.000 1.727 522 c CB -1.325 41.013 42.510 -0.286 0.000 2.010 522 c HN 0.625 nan 8.230 nan 0.000 0.486 523 I N 0.921 121.538 120.570 0.079 0.000 2.179 523 I HA -0.240 3.924 4.170 -0.009 0.000 0.242 523 I C 2.505 178.630 176.117 0.014 0.000 1.088 523 I CA 1.639 62.979 61.300 0.067 0.000 1.357 523 I CB -0.444 37.606 38.000 0.083 0.000 1.051 523 I HN 0.380 nan 8.210 nan 0.000 0.409 524 K N 0.774 121.174 120.400 -0.000 0.000 2.147 524 K HA -0.112 4.203 4.320 -0.009 0.000 0.205 524 K C 1.936 178.523 176.600 -0.021 0.000 1.049 524 K CA 1.451 57.721 56.287 -0.029 0.000 0.936 524 K CB -0.211 32.247 32.500 -0.070 0.000 0.722 524 K HN 0.317 nan 8.250 nan 0.000 0.446 525 A N 0.385 123.201 122.820 -0.007 0.000 2.238 525 A HA 0.185 4.499 4.320 -0.009 0.000 0.208 525 A C 1.319 178.904 177.584 0.002 0.000 1.177 525 A CA 0.676 52.712 52.037 -0.001 0.000 0.804 525 A CB -0.383 18.624 19.000 0.011 0.000 0.823 525 A HN 0.391 nan 8.150 nan 0.000 0.482 526 G N -1.039 107.761 108.800 0.001 0.000 2.198 526 G HA2 -0.263 3.691 3.960 -0.009 0.000 0.260 526 G HA3 -0.263 3.691 3.960 -0.009 0.000 0.260 526 G C 0.619 175.526 174.900 0.013 0.000 1.025 526 G CA 0.607 45.706 45.100 -0.001 0.000 0.769 526 G HN 0.442 nan 8.290 nan 0.000 0.507 527 Q N -1.818 118.001 119.800 0.030 0.000 2.319 527 Q HA 0.224 4.559 4.340 -0.009 0.000 0.209 527 Q C -0.101 175.966 176.000 0.112 0.000 0.884 527 Q CA 0.218 56.050 55.803 0.048 0.000 0.938 527 Q CB 0.785 29.538 28.738 0.027 0.000 1.098 527 Q HN 0.756 nan 8.270 nan 0.000 0.517 528 Y N 0.602 120.870 120.300 -0.053 0.000 2.396 528 Y HA 0.413 4.958 4.550 -0.009 0.000 0.332 528 Y C -1.883 173.999 175.900 -0.031 0.000 1.034 528 Y CA -1.793 56.278 58.100 -0.050 0.000 1.057 528 Y CB 1.473 39.890 38.460 -0.073 0.000 1.220 528 Y HN -0.201 nan 8.280 nan 0.000 0.440 529 D N 8.246 128.335 120.400 -0.517 0.000 2.736 529 D HA 0.366 5.000 4.640 -0.009 0.000 0.243 529 D C -2.343 173.613 176.300 -0.573 0.000 1.304 529 D CA -2.188 51.480 54.000 -0.554 0.000 0.934 529 D CB 2.887 43.550 40.800 -0.228 0.000 1.382 529 D HN 0.332 nan 8.370 nan 0.000 0.571 530 P HA -0.015 nan 4.420 nan 0.000 0.225 530 P C 0.157 177.393 177.300 -0.106 0.000 1.148 530 P CA 0.731 63.667 63.100 -0.272 0.000 0.779 530 P CB 0.611 32.209 31.700 -0.170 0.000 0.780 531 D N -1.403 118.924 120.400 -0.122 0.000 2.369 531 D HA 0.037 4.671 4.640 -0.009 0.000 0.211 531 D C 0.264 176.534 176.300 -0.050 0.000 1.077 531 D CA 0.290 54.252 54.000 -0.064 0.000 0.842 531 D CB -0.129 40.636 40.800 -0.058 0.000 0.947 531 D HN 0.103 nan 8.370 nan 0.000 0.509 532 N N 1.205 119.867 118.700 -0.062 0.000 2.518 532 N HA 0.012 4.746 4.740 -0.009 0.000 0.254 532 N C 0.779 176.283 175.510 -0.010 0.000 0.979 532 N CA -0.320 52.708 53.050 -0.036 0.000 0.930 532 N CB 1.808 40.268 38.487 -0.046 0.000 1.152 532 N HN -0.266 nan 8.380 nan 0.000 0.505 533 V N 3.381 123.294 119.914 -0.000 0.000 2.688 533 V HA -0.110 4.004 4.120 -0.009 0.000 0.256 533 V C 1.273 177.377 176.094 0.016 0.000 1.084 533 V CA 1.749 64.056 62.300 0.012 0.000 1.103 533 V CB -0.152 31.675 31.823 0.007 0.000 0.688 533 V HN 0.578 nan 8.190 nan 0.000 0.480 534 E N 0.070 120.277 120.200 0.012 0.000 2.435 534 E HA 0.111 4.456 4.350 -0.009 0.000 0.195 534 E C 0.680 177.297 176.600 0.029 0.000 1.029 534 E CA 0.401 56.811 56.400 0.016 0.000 0.865 534 E CB 0.078 29.784 29.700 0.009 0.000 0.833 534 E HN 0.551 nan 8.360 nan 0.000 0.510 535 L N 2.683 123.929 121.223 0.038 0.000 2.679 535 L HA 0.285 4.620 4.340 -0.009 0.000 0.238 535 L C -2.412 174.550 176.870 0.153 0.000 1.330 535 L CA -1.639 53.244 54.840 0.071 0.000 0.935 535 L CB 1.077 43.163 42.059 0.045 0.000 1.243 535 L HN -0.212 nan 8.230 nan 0.000 0.484 536 P HA 0.061 nan 4.420 nan 0.000 0.278 536 P C 0.740 178.062 177.300 0.037 0.000 1.238 536 P CA -0.577 62.589 63.100 0.110 0.000 0.794 536 P CB 2.074 33.781 31.700 0.011 0.000 0.955 537 L N 2.738 123.860 121.223 -0.169 0.000 2.079 537 L HA -0.164 4.171 4.340 -0.009 0.000 0.210 537 L C 1.619 178.340 176.870 -0.249 0.000 1.081 537 L CA 2.065 56.611 54.840 -0.489 0.000 0.752 537 L CB -1.332 40.200 42.059 -0.879 0.000 0.896 537 L HN 0.420 nan 8.230 nan 0.000 0.433 538 D N -2.356 117.793 120.400 -0.419 0.000 2.363 538 D HA -0.132 4.502 4.640 -0.009 0.000 0.226 538 D C 0.791 177.047 176.300 -0.073 0.000 1.020 538 D CA 0.343 54.090 54.000 -0.421 0.000 0.892 538 D CB -0.354 40.059 40.800 -0.644 0.000 0.900 538 D HN 0.359 nan 8.370 nan 0.000 0.531 539 N N 0.063 118.755 118.700 -0.013 0.000 2.299 539 N HA 0.031 4.765 4.740 -0.009 0.000 0.246 539 N C -0.956 174.603 175.510 0.081 0.000 1.254 539 N CA -0.504 52.573 53.050 0.046 0.000 0.879 539 N CB 0.307 38.816 38.487 0.037 0.000 1.214 539 N HN 0.188 nan 8.380 nan 0.000 0.510 540 c N 0.602 119.264 118.600 0.103 0.000 2.632 540 c HA 0.418 4.983 4.570 -0.009 0.000 0.415 540 c C -0.036 174.145 174.090 0.151 0.000 1.332 540 c CA -0.483 55.890 56.329 0.072 0.000 1.874 540 c CB -0.464 41.978 42.510 -0.112 0.000 2.596 540 c HN 0.366 nan 8.230 nan 0.000 0.590 541 D N 3.950 124.429 120.400 0.133 0.000 2.425 541 D HA 0.333 4.968 4.640 -0.009 0.000 0.240 541 D C 0.725 177.132 176.300 0.179 0.000 1.080 541 D CA -0.630 53.490 54.000 0.201 0.000 0.836 541 D CB 0.941 41.876 40.800 0.226 0.000 1.125 541 D HN 0.659 nan 8.370 nan 0.000 0.525 542 I N 1.289 122.001 120.570 0.237 0.000 3.793 542 I HA 0.266 4.430 4.170 -0.009 0.000 0.315 542 I C 0.424 176.629 176.117 0.146 0.000 1.275 542 I CA -0.603 60.809 61.300 0.186 0.000 1.214 542 I CB -0.394 37.721 38.000 0.192 0.000 1.018 542 I HN 0.194 nan 8.210 nan 0.000 0.439 543 Y N 3.411 123.660 120.300 -0.084 0.000 2.811 543 Y HA 0.254 4.798 4.550 -0.011 0.000 0.334 543 Y C 1.572 177.321 175.900 -0.252 0.000 1.247 543 Y CA 1.317 59.078 58.100 -0.565 0.000 1.526 543 Y CB 0.493 38.576 38.460 -0.629 0.000 1.284 543 Y HN 0.443 nan 8.280 nan 0.000 0.586 544 G N 3.195 111.462 108.800 -0.888 0.000 2.189 544 G HA2 -0.323 3.632 3.960 -0.009 0.000 0.267 544 G HA3 -0.323 3.632 3.960 -0.009 0.000 0.267 544 G C 0.234 174.996 174.900 -0.231 0.000 0.975 544 G CA 0.461 45.244 45.100 -0.528 0.000 0.644 544 G HN 0.975 nan 8.290 nan 0.000 0.537 545 S N 0.330 115.935 115.700 -0.159 0.000 2.400 545 S HA 0.681 5.145 4.470 -0.009 0.000 0.295 545 S C 1.603 176.169 174.600 -0.057 0.000 1.113 545 S CA 0.634 58.793 58.200 -0.068 0.000 1.064 545 S CB 0.876 64.068 63.200 -0.014 0.000 0.990 545 S HN 1.434 nan 8.310 nan 0.000 0.502 546 A N 5.244 128.029 122.820 -0.059 0.000 1.969 546 A HA 0.187 4.501 4.320 -0.009 0.000 0.218 546 A C 2.296 179.862 177.584 -0.029 0.000 1.169 546 A CA 1.437 53.447 52.037 -0.046 0.000 0.635 546 A CB -0.968 18.002 19.000 -0.051 0.000 0.810 546 A HN 1.092 nan 8.150 nan 0.000 0.445 547 A N 0.017 122.818 122.820 -0.032 0.000 1.898 547 A HA 0.182 4.496 4.320 -0.009 0.000 0.216 547 A C 2.476 180.030 177.584 -0.051 0.000 1.181 547 A CA 1.925 53.937 52.037 -0.042 0.000 0.620 547 A CB -0.927 18.048 19.000 -0.042 0.000 0.819 547 A HN 0.984 nan 8.150 nan 0.000 0.442 548 A N -0.521 122.294 122.820 -0.008 0.000 1.930 548 A HA 0.164 4.479 4.320 -0.009 0.000 0.217 548 A C 2.377 180.057 177.584 0.159 0.000 1.175 548 A CA 1.787 53.853 52.037 0.048 0.000 0.627 548 A CB -1.293 17.789 19.000 0.137 0.000 0.815 548 A HN 0.709 nan 8.150 nan 0.000 0.443 549 G N -0.479 108.397 108.800 0.127 0.000 2.422 549 G HA2 0.026 3.980 3.960 -0.009 0.000 0.218 549 G HA3 0.026 3.980 3.960 -0.009 0.000 0.218 549 G C 1.701 176.687 174.900 0.144 0.000 1.146 549 G CA 1.340 46.534 45.100 0.157 0.000 0.769 549 G HN 0.754 nan 8.290 nan 0.000 0.547 550 A N 1.260 124.108 122.820 0.046 0.000 1.902 550 A HA 0.246 4.560 4.320 -0.009 0.000 0.217 550 A C 2.828 180.405 177.584 -0.011 0.000 1.181 550 A CA 2.272 54.329 52.037 0.033 0.000 0.623 550 A CB -0.821 18.169 19.000 -0.017 0.000 0.818 550 A HN 0.760 nan 8.150 nan 0.000 0.443 551 A N -1.140 121.560 122.820 -0.200 0.000 1.877 551 A HA -0.018 4.296 4.320 -0.009 0.000 0.216 551 A C 1.968 179.344 177.584 -0.347 0.000 1.186 551 A CA 1.565 53.276 52.037 -0.543 0.000 0.620 551 A CB -0.778 17.449 19.000 -1.289 0.000 0.822 551 A HN 0.449 nan 8.150 nan 0.000 0.443 552 F N -0.554 119.347 119.950 -0.082 0.000 2.095 552 F HA -0.205 4.317 4.527 -0.008 0.000 0.298 552 F C 2.450 178.266 175.800 0.028 0.000 1.104 552 F CA 1.925 59.973 58.000 0.079 0.000 1.232 552 F CB -0.650 38.388 39.000 0.062 0.000 0.987 552 F HN 0.492 nan 8.300 nan 0.000 0.475 553 H N 0.404 119.565 119.070 0.152 0.000 2.319 553 H HA -0.170 4.381 4.556 -0.010 0.000 0.299 553 H C 1.867 177.237 175.328 0.070 0.000 1.092 553 H CA 1.798 57.896 56.048 0.084 0.000 1.302 553 H CB -0.246 29.545 29.762 0.047 0.000 1.373 553 H HN 0.147 nan 8.280 nan 0.000 0.497 554 N N 0.560 119.217 118.700 -0.071 0.000 2.149 554 N HA -0.168 4.567 4.740 -0.009 0.000 0.188 554 N C 2.225 177.705 175.510 -0.049 0.000 1.019 554 N CA 1.500 54.487 53.050 -0.105 0.000 0.857 554 N CB -0.390 38.075 38.487 -0.036 0.000 0.997 554 N HN 0.522 nan 8.380 nan 0.000 0.426 555 M N -0.086 119.525 119.600 0.018 0.000 2.276 555 M HA 0.067 4.541 4.480 -0.009 0.000 0.262 555 M C 1.602 177.949 176.300 0.079 0.000 1.098 555 M CA 0.879 56.230 55.300 0.085 0.000 1.167 555 M CB 0.092 32.772 32.600 0.133 0.000 1.337 555 M HN -0.032 nan 8.290 nan 0.000 0.446 556 L N 0.239 121.464 121.223 0.003 0.000 2.141 556 L HA -0.130 4.204 4.340 -0.009 0.000 0.209 556 L C 2.632 179.652 176.870 0.249 0.000 1.094 556 L CA 1.362 56.200 54.840 -0.003 0.000 0.763 556 L CB -1.020 40.880 42.059 -0.265 0.000 0.908 556 L HN 0.478 nan 8.230 nan 0.000 0.437 557 S N -0.367 115.396 115.700 0.105 0.000 2.442 557 S HA -0.168 4.296 4.470 -0.009 0.000 0.236 557 S C 1.906 176.654 174.600 0.246 0.000 1.007 557 S CA 0.980 59.299 58.200 0.198 0.000 0.965 557 S CB -0.388 62.772 63.200 -0.067 0.000 0.773 557 S HN 0.380 nan 8.310 nan 0.000 0.504 558 M N 1.450 121.142 119.600 0.153 0.000 2.296 558 M HA 0.142 4.617 4.480 -0.009 0.000 0.265 558 M C 1.993 178.319 176.300 0.043 0.000 1.064 558 M CA 0.757 56.100 55.300 0.072 0.000 1.109 558 M CB -1.157 31.462 32.600 0.033 0.000 1.396 558 M HN 0.614 nan 8.290 nan 0.000 0.430 559 G N 0.815 109.746 108.800 0.218 0.000 2.634 559 G HA2 -0.369 3.585 3.960 -0.009 0.000 0.309 559 G HA3 -0.369 3.585 3.960 -0.009 0.000 0.309 559 G C 0.484 175.318 174.900 -0.110 0.000 1.265 559 G CA 0.387 45.526 45.100 0.065 0.000 0.998 559 G HN 0.644 nan 8.290 nan 0.000 0.551 560 A N -0.022 122.646 122.820 -0.253 0.000 2.507 560 A HA 0.613 4.927 4.320 -0.009 0.000 0.270 560 A C 2.147 179.402 177.584 -0.548 0.000 1.318 560 A CA 1.423 53.298 52.037 -0.270 0.000 0.924 560 A CB -0.351 18.538 19.000 -0.186 0.000 1.061 560 A HN 1.945 nan 8.150 nan 0.000 0.516 561 S N -0.073 115.155 115.700 -0.786 0.000 2.419 561 S HA -0.020 4.444 4.470 -0.009 0.000 0.233 561 S C 0.836 174.989 174.600 -0.746 0.000 1.016 561 S CA 0.767 58.131 58.200 -1.394 0.000 0.974 561 S CB -0.024 62.724 63.200 -0.754 0.000 0.786 561 S HN 0.337 nan 8.310 nan 0.000 0.492 562 K N 1.182 121.343 120.400 -0.399 0.000 2.443 562 K HA 0.576 4.890 4.320 -0.009 0.000 0.251 562 K C -3.308 173.189 176.600 -0.173 0.000 0.972 562 K CA -2.669 53.482 56.287 -0.226 0.000 0.833 562 K CB 0.771 33.184 32.500 -0.146 0.000 1.317 562 K HN -0.062 nan 8.250 nan 0.000 0.441 563 P HA -0.031 nan 4.420 nan 0.000 0.267 563 P C 1.087 178.288 177.300 -0.165 0.000 1.200 563 P CA -0.150 62.861 63.100 -0.149 0.000 0.772 563 P CB 0.228 31.818 31.700 -0.184 0.000 0.855 564 W N 3.704 124.914 121.300 -0.150 0.000 2.331 564 W HA -0.093 4.561 4.660 -0.009 0.000 0.291 564 W C -1.723 174.800 176.519 0.007 0.000 1.214 564 W CA 1.168 58.373 57.345 -0.234 0.000 1.228 564 W CB -2.994 26.259 29.460 -0.345 0.000 1.135 564 W HN 0.311 nan 8.180 nan 0.000 0.537 565 P HA -0.130 nan 4.420 nan 0.000 0.219 565 P C 1.201 178.487 177.300 -0.024 0.000 1.146 565 P CA 2.134 65.036 63.100 -0.330 0.000 0.808 565 P CB -0.192 31.165 31.700 -0.572 0.000 0.779 566 D N -0.736 119.630 120.400 -0.057 0.000 2.178 566 D HA -0.071 4.564 4.640 -0.009 0.000 0.202 566 D C 1.971 178.322 176.300 0.084 0.000 0.974 566 D CA 1.304 55.306 54.000 0.003 0.000 0.841 566 D CB -0.557 40.218 40.800 -0.042 0.000 0.953 566 D HN 0.080 nan 8.370 nan 0.000 0.478 567 A N 0.767 123.659 122.820 0.120 0.000 1.897 567 A HA -0.098 4.217 4.320 -0.009 0.000 0.215 567 A C 2.124 179.956 177.584 0.412 0.000 1.181 567 A CA 0.725 52.888 52.037 0.211 0.000 0.620 567 A CB -0.582 18.486 19.000 0.114 0.000 0.821 567 A HN 0.214 nan 8.150 nan 0.000 0.443 568 L N 0.189 121.750 121.223 0.563 0.000 2.046 568 L HA -0.126 4.209 4.340 -0.009 0.000 0.208 568 L C 2.202 179.297 176.870 0.375 0.000 1.077 568 L CA 2.599 57.787 54.840 0.579 0.000 0.747 568 L CB -0.649 41.789 42.059 0.632 0.000 0.896 568 L HN 0.593 nan 8.230 nan 0.000 0.432 569 E N -0.731 119.622 120.200 0.256 0.000 2.110 569 E HA -0.235 4.109 4.350 -0.009 0.000 0.193 569 E C 2.089 178.781 176.600 0.152 0.000 0.988 569 E CA 1.068 57.570 56.400 0.170 0.000 0.804 569 E CB -0.142 29.618 29.700 0.101 0.000 0.745 569 E HN 0.625 nan 8.360 nan 0.000 0.458 570 A N 0.211 123.125 122.820 0.157 0.000 1.972 570 A HA -0.166 4.148 4.320 -0.009 0.000 0.219 570 A C 1.916 179.565 177.584 0.109 0.000 1.169 570 A CA 1.076 53.179 52.037 0.110 0.000 0.635 570 A CB -0.684 18.374 19.000 0.096 0.000 0.810 570 A HN 0.475 nan 8.150 nan 0.000 0.446 571 F N 1.387 121.354 119.950 0.029 0.000 2.098 571 F HA -0.092 4.429 4.527 -0.010 0.000 0.294 571 F C 1.613 177.409 175.800 -0.007 0.000 1.107 571 F CA 1.852 59.826 58.000 -0.043 0.000 1.234 571 F CB 0.171 39.119 39.000 -0.087 0.000 1.002 571 F HN 0.476 nan 8.300 nan 0.000 0.472 572 N N -1.398 117.475 118.700 0.288 0.000 2.142 572 N HA 0.195 4.929 4.740 -0.009 0.000 0.233 572 N C 0.861 176.456 175.510 0.143 0.000 1.335 572 N CA 0.598 53.767 53.050 0.199 0.000 0.837 572 N CB 0.370 39.068 38.487 0.352 0.000 1.238 572 N HN 0.342 nan 8.380 nan 0.000 0.501 573 G N -0.073 108.806 108.800 0.131 0.000 2.179 573 G HA2 -0.298 3.656 3.960 -0.009 0.000 0.260 573 G HA3 -0.298 3.656 3.960 -0.009 0.000 0.260 573 G C -0.394 174.570 174.900 0.107 0.000 0.977 573 G CA 0.485 45.643 45.100 0.098 0.000 0.641 573 G HN 0.509 nan 8.290 nan 0.000 0.533 574 E N -0.829 119.458 120.200 0.144 0.000 2.250 574 E HA 0.672 5.016 4.350 -0.009 0.000 0.269 574 E C 0.883 177.576 176.600 0.156 0.000 1.018 574 E CA -0.872 55.611 56.400 0.138 0.000 0.873 574 E CB 0.959 30.746 29.700 0.145 0.000 1.134 574 E HN 0.275 nan 8.360 nan 0.000 0.403 575 R N 0.763 121.338 120.500 0.126 0.000 2.531 575 R HA 0.336 4.671 4.340 -0.009 0.000 0.316 575 R C -0.116 176.254 176.300 0.116 0.000 0.955 575 R CA -0.038 56.117 56.100 0.092 0.000 1.120 575 R CB 0.582 30.891 30.300 0.015 0.000 1.361 575 R HN 0.405 nan 8.270 nan 0.000 0.534 576 I N 1.343 122.029 120.570 0.193 0.000 2.465 576 I HA 0.277 4.442 4.170 -0.009 0.000 0.291 576 I C -0.189 176.108 176.117 0.299 0.000 1.014 576 I CA -0.866 60.577 61.300 0.238 0.000 1.093 576 I CB 2.125 40.212 38.000 0.145 0.000 1.267 576 I HN -0.058 nan 8.210 nan 0.000 0.431 577 M N 5.990 125.840 119.600 0.417 0.000 2.268 577 M HA 0.188 4.662 4.480 -0.009 0.000 0.349 577 M C -0.341 176.013 176.300 0.091 0.000 1.485 577 M CA 0.852 56.276 55.300 0.206 0.000 1.094 577 M CB 0.404 33.090 32.600 0.142 0.000 1.843 577 M HN 0.646 nan 8.290 nan 0.000 0.460 578 S N 2.800 118.519 115.700 0.032 0.000 2.540 578 S HA 0.644 5.108 4.470 -0.009 0.000 0.275 578 S C 0.499 175.099 174.600 -0.001 0.000 1.123 578 S CA -0.381 57.834 58.200 0.025 0.000 0.907 578 S CB 1.652 64.880 63.200 0.047 0.000 1.081 578 S HN 0.886 nan 8.310 nan 0.000 0.476 579 G N 2.642 111.442 108.800 0.000 0.000 2.985 579 G HA2 0.030 3.984 3.960 -0.009 0.000 0.209 579 G HA3 0.030 3.984 3.960 -0.009 0.000 0.209 579 G C 1.078 175.981 174.900 0.006 0.000 1.165 579 G CA 0.101 45.197 45.100 -0.007 0.000 0.776 579 G HN 0.729 nan 8.290 nan 0.000 0.541 580 K N 0.628 121.043 120.400 0.025 0.000 2.032 580 K HA -0.054 4.260 4.320 -0.009 0.000 0.209 580 K C 2.690 179.322 176.600 0.054 0.000 1.048 580 K CA 1.371 57.683 56.287 0.043 0.000 0.927 580 K CB -0.211 32.321 32.500 0.054 0.000 0.712 580 K HN 0.188 nan 8.250 nan 0.000 0.441 581 A N 1.420 124.277 122.820 0.061 0.000 1.873 581 A HA -0.142 4.173 4.320 -0.009 0.000 0.215 581 A C 2.139 179.765 177.584 0.071 0.000 1.186 581 A CA 1.421 53.519 52.037 0.101 0.000 0.616 581 A CB -0.567 18.513 19.000 0.133 0.000 0.823 581 A HN 0.503 nan 8.150 nan 0.000 0.442 582 I N -0.594 119.941 120.570 -0.057 0.000 2.286 582 I HA -0.217 3.947 4.170 -0.009 0.000 0.248 582 I C 2.595 178.667 176.117 -0.076 0.000 1.115 582 I CA 1.266 62.333 61.300 -0.388 0.000 1.392 582 I CB -0.114 37.560 38.000 -0.543 0.000 1.065 582 I HN 0.330 nan 8.210 nan 0.000 0.418 583 A N -0.036 122.790 122.820 0.010 0.000 1.930 583 A HA -0.260 4.055 4.320 -0.009 0.000 0.217 583 A C 2.246 179.893 177.584 0.106 0.000 1.175 583 A CA 1.760 53.844 52.037 0.079 0.000 0.627 583 A CB -0.618 18.411 19.000 0.049 0.000 0.815 583 A HN 0.598 nan 8.150 nan 0.000 0.443 584 E N -1.478 118.773 120.200 0.084 0.000 2.077 584 E HA -0.237 4.108 4.350 -0.009 0.000 0.193 584 E C 1.794 178.425 176.600 0.052 0.000 0.989 584 E CA 1.352 57.803 56.400 0.085 0.000 0.800 584 E CB -0.327 29.434 29.700 0.102 0.000 0.746 584 E HN 0.719 nan 8.360 nan 0.000 0.452 585 Y N -0.555 119.669 120.300 -0.126 0.000 2.165 585 Y HA -0.234 4.310 4.550 -0.009 0.000 0.286 585 Y C 1.396 177.070 175.900 -0.376 0.000 1.155 585 Y CA 1.816 59.739 58.100 -0.295 0.000 1.164 585 Y CB -0.031 38.181 38.460 -0.415 0.000 0.978 585 Y HN 0.064 nan 8.280 nan 0.000 0.513 586 F N -0.223 119.835 119.950 0.181 0.000 2.727 586 F HA 0.116 4.638 4.527 -0.010 0.000 0.302 586 F C 1.970 177.820 175.800 0.083 0.000 1.097 586 F CA 0.455 58.537 58.000 0.136 0.000 1.330 586 F CB -0.286 38.768 39.000 0.091 0.000 1.084 586 F HN 0.037 nan 8.300 nan 0.000 0.578 587 E N 2.151 122.458 120.200 0.179 0.000 2.086 587 E HA -0.199 4.146 4.350 -0.009 0.000 0.200 587 E C -0.603 176.080 176.600 0.138 0.000 1.012 587 E CA 1.918 58.401 56.400 0.138 0.000 0.812 587 E CB -1.319 28.439 29.700 0.097 0.000 0.743 587 E HN 0.145 nan 8.360 nan 0.000 0.453 588 P HA -0.130 nan 4.420 nan 0.000 0.220 588 P C 1.582 179.000 177.300 0.197 0.000 1.148 588 P CA 0.867 64.041 63.100 0.123 0.000 0.803 588 P CB -0.045 31.692 31.700 0.062 0.000 0.782 589 L N 0.160 121.524 121.223 0.234 0.000 2.056 589 L HA -0.016 4.318 4.340 -0.009 0.000 0.207 589 L C 2.786 179.854 176.870 0.330 0.000 1.078 589 L CA 1.631 56.666 54.840 0.324 0.000 0.749 589 L CB -0.977 41.316 42.059 0.391 0.000 0.901 589 L HN -0.245 nan 8.230 nan 0.000 0.433 590 R N -0.885 119.765 120.500 0.250 0.000 2.083 590 R HA -0.154 4.181 4.340 -0.009 0.000 0.237 590 R C 2.057 178.449 176.300 0.153 0.000 1.137 590 R CA 2.136 58.343 56.100 0.179 0.000 0.951 590 R CB -0.415 29.966 30.300 0.136 0.000 0.851 590 R HN 0.347 nan 8.270 nan 0.000 0.434 591 V N -0.149 119.861 119.914 0.160 0.000 2.295 591 V HA -0.260 3.854 4.120 -0.009 0.000 0.246 591 V C 1.946 178.126 176.094 0.142 0.000 1.049 591 V CA 2.065 64.441 62.300 0.127 0.000 1.024 591 V CB -0.694 31.203 31.823 0.124 0.000 0.648 591 V HN 0.567 nan 8.190 nan 0.000 0.447 592 W N 0.185 121.515 121.300 0.048 0.000 2.355 592 W HA -0.185 4.469 4.660 -0.009 0.000 0.309 592 W C 2.162 178.677 176.519 -0.008 0.000 1.206 592 W CA 1.731 59.099 57.345 0.038 0.000 1.284 592 W CB -0.267 29.235 29.460 0.069 0.000 1.145 592 W HN 0.199 nan 8.180 nan 0.000 0.502 593 L N 1.278 122.598 121.223 0.163 0.000 2.056 593 L HA -0.127 4.208 4.340 -0.009 0.000 0.207 593 L C 2.260 179.007 176.870 -0.205 0.000 1.078 593 L CA 2.210 57.001 54.840 -0.082 0.000 0.749 593 L CB -1.158 41.027 42.059 0.209 0.000 0.901 593 L HN 0.068 nan 8.230 nan 0.000 0.433 594 E N -0.556 119.592 120.200 -0.086 0.000 2.085 594 E HA -0.261 4.083 4.350 -0.009 0.000 0.194 594 E C 2.123 178.624 176.600 -0.165 0.000 0.994 594 E CA 1.277 57.622 56.400 -0.090 0.000 0.801 594 E CB -0.281 29.398 29.700 -0.037 0.000 0.743 594 E HN 0.652 nan 8.360 nan 0.000 0.453 595 A N 1.036 123.722 122.820 -0.223 0.000 1.930 595 A HA -0.207 4.108 4.320 -0.009 0.000 0.217 595 A C 2.026 179.390 177.584 -0.368 0.000 1.175 595 A CA 1.571 53.456 52.037 -0.254 0.000 0.627 595 A CB -0.308 18.555 19.000 -0.229 0.000 0.815 595 A HN 0.124 nan 8.150 nan 0.000 0.443 596 E N 0.608 120.430 120.200 -0.630 0.000 2.072 596 E HA -0.146 4.198 4.350 -0.009 0.000 0.191 596 E C 1.764 178.137 176.600 -0.379 0.000 0.985 596 E CA 1.479 57.467 56.400 -0.687 0.000 0.801 596 E CB -0.209 28.677 29.700 -1.357 0.000 0.750 596 E HN 0.536 nan 8.360 nan 0.000 0.452 597 N N 0.039 118.563 118.700 -0.293 0.000 2.166 597 N HA -0.105 4.629 4.740 -0.009 0.000 0.186 597 N C 1.843 177.249 175.510 -0.174 0.000 1.019 597 N CA 1.102 54.048 53.050 -0.174 0.000 0.856 597 N CB -0.163 38.273 38.487 -0.085 0.000 0.993 597 N HN 0.278 nan 8.380 nan 0.000 0.426 598 I N 1.157 121.630 120.570 -0.162 0.000 2.202 598 I HA -0.235 3.929 4.170 -0.009 0.000 0.242 598 I C 2.422 178.460 176.117 -0.132 0.000 1.091 598 I CA 0.992 62.216 61.300 -0.128 0.000 1.368 598 I CB -0.173 37.763 38.000 -0.107 0.000 1.058 598 I HN 0.113 nan 8.210 nan 0.000 0.410 599 K N 0.928 121.235 120.400 -0.157 0.000 2.103 599 K HA -0.193 4.121 4.320 -0.009 0.000 0.207 599 K C 1.351 177.872 176.600 -0.133 0.000 1.048 599 K CA 1.594 57.801 56.287 -0.132 0.000 0.930 599 K CB -0.039 32.374 32.500 -0.145 0.000 0.716 599 K HN 0.360 nan 8.250 nan 0.000 0.444 600 N N 0.919 119.501 118.700 -0.197 0.000 2.230 600 N HA -0.051 4.684 4.740 -0.009 0.000 0.202 600 N C -0.587 174.758 175.510 -0.275 0.000 1.119 600 N CA 0.089 52.979 53.050 -0.265 0.000 0.851 600 N CB 0.107 38.306 38.487 -0.480 0.000 0.990 600 N HN 0.327 nan 8.380 nan 0.000 0.497 601 N N 0.776 119.368 118.700 -0.180 0.000 2.727 601 N HA -0.178 4.556 4.740 -0.009 0.000 0.249 601 N C -0.971 174.463 175.510 -0.127 0.000 1.048 601 N CA -0.264 52.714 53.050 -0.119 0.000 0.714 601 N CB -0.676 37.769 38.487 -0.071 0.000 0.959 601 N HN -0.116 nan 8.380 nan 0.000 0.544 602 V N 1.838 121.640 119.914 -0.186 0.000 2.508 602 V HA 0.028 4.143 4.120 -0.009 0.000 0.281 602 V C 0.945 177.038 176.094 -0.001 0.000 1.041 602 V CA -0.205 62.002 62.300 -0.156 0.000 1.016 602 V CB 1.064 32.762 31.823 -0.207 0.000 0.984 602 V HN 0.278 nan 8.190 nan 0.000 0.478 603 H N 5.846 124.914 119.070 -0.004 0.000 2.764 603 H HA 0.255 4.805 4.556 -0.010 0.000 0.341 603 H C -0.836 174.546 175.328 0.089 0.000 1.072 603 H CA -0.277 55.794 56.048 0.038 0.000 1.444 603 H CB 0.865 30.661 29.762 0.057 0.000 1.458 603 H HN 0.352 nan 8.280 nan 0.000 0.572 604 I N 3.551 123.847 120.570 -0.457 0.000 2.474 604 I HA 0.329 4.493 4.170 -0.009 0.000 0.294 604 I C 0.977 176.891 176.117 -0.339 0.000 1.005 604 I CA 0.109 61.279 61.300 -0.217 0.000 1.113 604 I CB 0.912 38.828 38.000 -0.141 0.000 1.289 604 I HN 0.927 nan 8.210 nan 0.000 0.436 605 G N 5.272 114.031 108.800 -0.068 0.000 2.661 605 G HA2 -0.029 3.925 3.960 -0.009 0.000 0.685 605 G HA3 -0.029 3.925 3.960 -0.009 0.000 0.685 605 G C -1.666 173.336 174.900 0.171 0.000 1.298 605 G CA -0.458 44.496 45.100 -0.244 0.000 0.855 605 G HN 0.963 nan 8.290 nan 0.000 0.560 606 W N -1.159 120.180 121.300 0.065 0.000 3.167 606 W HA 0.745 5.399 4.660 -0.009 0.000 0.324 606 W C 0.387 176.952 176.519 0.077 0.000 1.230 606 W CA -0.745 56.670 57.345 0.118 0.000 1.184 606 W CB 0.390 29.915 29.460 0.107 0.000 1.414 606 W HN 1.149 nan 8.180 nan 0.000 0.551 607 T N -0.838 113.889 114.554 0.288 0.000 2.828 607 T HA 0.400 4.744 4.350 -0.009 0.000 0.290 607 T C 0.300 175.144 174.700 0.240 0.000 1.019 607 T CA -0.343 61.860 62.100 0.171 0.000 1.031 607 T CB 0.765 69.701 68.868 0.113 0.000 1.001 607 T HN 0.551 nan 8.240 nan 0.000 0.531 608 T N 2.521 117.166 114.554 0.151 0.000 2.916 608 T HA 0.218 4.563 4.350 -0.009 0.000 0.303 608 T C 0.703 175.476 174.700 0.123 0.000 1.025 608 T CA -0.243 61.950 62.100 0.154 0.000 1.142 608 T CB 0.663 69.588 68.868 0.096 0.000 0.947 608 T HN 0.795 nan 8.240 nan 0.000 0.544 609 S N 2.215 117.986 115.700 0.118 0.000 2.572 609 S HA 0.059 4.523 4.470 -0.009 0.000 0.279 609 S C 0.963 175.577 174.600 0.024 0.000 1.341 609 S CA -0.646 57.584 58.200 0.050 0.000 1.043 609 S CB 0.121 63.334 63.200 0.022 0.000 0.887 609 S HN 0.640 nan 8.310 nan 0.000 0.516 610 N N 2.795 121.486 118.700 -0.015 0.000 2.234 610 N HA 0.144 4.878 4.740 -0.009 0.000 0.227 610 N C 0.072 175.548 175.510 -0.057 0.000 1.151 610 N CA -0.274 52.764 53.050 -0.020 0.000 0.865 610 N CB 0.546 39.022 38.487 -0.018 0.000 1.066 610 N HN 0.468 nan 8.380 nan 0.000 0.515 611 K N 0.195 120.535 120.400 -0.100 0.000 2.444 611 K HA 0.131 4.445 4.320 -0.009 0.000 0.193 611 K C 0.049 176.551 176.600 -0.164 0.000 1.024 611 K CA -0.002 56.175 56.287 -0.182 0.000 1.077 611 K CB -0.013 32.296 32.500 -0.317 0.000 0.833 611 K HN 0.047 nan 8.250 nan 0.000 0.517 612 c N 2.051 120.622 118.600 -0.048 0.000 2.356 612 c HA 0.358 4.922 4.570 -0.009 0.000 0.324 612 c C -0.163 173.970 174.090 0.072 0.000 1.167 612 c CA -1.030 55.324 56.329 0.043 0.000 1.420 612 c CB -0.094 42.520 42.510 0.173 0.000 2.036 612 c HN 0.219 nan 8.230 nan 0.000 0.435 613 V N 5.257 125.209 119.914 0.063 0.000 2.432 613 V HA 0.571 4.685 4.120 -0.009 0.000 0.271 613 V C 0.509 176.656 176.094 0.089 0.000 1.046 613 V CA 0.195 62.532 62.300 0.062 0.000 0.945 613 V CB 0.896 32.744 31.823 0.041 0.000 0.992 613 V HN 0.823 nan 8.190 nan 0.000 0.471 614 S N 0.000 115.751 115.700 0.085 0.000 2.498 614 S HA 0.000 4.464 4.470 -0.009 0.000 0.327 614 S CA 0.000 58.255 58.200 0.092 0.000 1.107 614 S CB 0.000 63.254 63.200 0.090 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517