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 2x8z_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 0.000 177.607 177.584 0.038 0.000 1.274 17 A CA 0.000 52.047 52.037 0.017 0.000 0.836 17 A CB 0.000 19.007 19.000 0.012 0.000 0.831 18 L N 0.784 122.037 121.223 0.050 0.000 2.109 18 L HA -0.072 4.269 4.340 0.002 0.000 0.207 18 L C 2.299 179.202 176.870 0.055 0.000 1.086 18 L CA 1.359 56.255 54.840 0.093 0.000 0.760 18 L CB -0.342 41.783 42.059 0.110 0.000 0.910 18 L HN 0.666 nan 8.230 nan 0.000 0.437 19 V N 0.499 120.429 119.914 0.026 0.000 2.295 19 V HA -0.327 3.794 4.120 0.002 0.000 0.246 19 V C 3.068 179.155 176.094 -0.011 0.000 1.049 19 V CA 2.454 64.754 62.300 -0.000 0.000 1.024 19 V CB -1.048 30.779 31.823 0.005 0.000 0.648 19 V HN 0.558 nan 8.190 nan 0.000 0.447 20 K N -0.128 120.276 120.400 0.008 0.000 2.097 20 K HA -0.178 4.143 4.320 0.002 0.000 0.205 20 K C 2.053 178.669 176.600 0.027 0.000 1.050 20 K CA 1.683 57.979 56.287 0.015 0.000 0.938 20 K CB -0.640 31.871 32.500 0.020 0.000 0.718 20 K HN 0.652 nan 8.250 nan 0.000 0.442 21 E N -0.099 120.128 120.200 0.046 0.000 2.072 21 E HA -0.202 4.149 4.350 0.002 0.000 0.191 21 E C 2.130 178.751 176.600 0.035 0.000 0.985 21 E CA 1.156 57.622 56.400 0.110 0.000 0.801 21 E CB 0.022 29.833 29.700 0.186 0.000 0.750 21 E HN 0.721 nan 8.360 nan 0.000 0.452 22 E N 0.168 120.243 120.200 -0.208 0.000 2.153 22 E HA -0.177 4.175 4.350 0.002 0.000 0.194 22 E C 2.052 178.517 176.600 -0.225 0.000 0.988 22 E CA 0.890 56.952 56.400 -0.564 0.000 0.811 22 E CB 0.000 29.323 29.700 -0.630 0.000 0.746 22 E HN 0.321 nan 8.360 nan 0.000 0.466 23 I N 0.765 121.282 120.570 -0.089 0.000 2.179 23 I HA -0.305 3.866 4.170 0.002 0.000 0.242 23 I C 2.512 178.650 176.117 0.035 0.000 1.088 23 I CA 1.244 62.532 61.300 -0.021 0.000 1.357 23 I CB -0.235 37.765 38.000 -0.001 0.000 1.051 23 I HN 0.137 nan 8.210 nan 0.000 0.409 24 Q N 0.542 120.393 119.800 0.085 0.000 2.124 24 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 24 Q C 2.466 178.613 176.000 0.245 0.000 0.977 24 Q CA 1.676 57.584 55.803 0.176 0.000 0.850 24 Q CB -0.307 28.564 28.738 0.221 0.000 0.901 24 Q HN 0.595 nan 8.270 nan 0.000 0.429 25 A N 1.492 124.441 122.820 0.215 0.000 1.902 25 A HA -0.232 4.089 4.320 0.002 0.000 0.217 25 A C 2.007 179.649 177.584 0.098 0.000 1.181 25 A CA 1.597 53.700 52.037 0.109 0.000 0.623 25 A CB -0.432 18.664 19.000 0.160 0.000 0.818 25 A HN 0.214 nan 8.150 nan 0.000 0.443 26 K N -0.216 120.213 120.400 0.050 0.000 2.063 26 K HA -0.209 4.112 4.320 0.002 0.000 0.208 26 K C 1.908 178.512 176.600 0.008 0.000 1.048 26 K CA 1.831 58.126 56.287 0.014 0.000 0.928 26 K CB -0.177 32.323 32.500 -0.000 0.000 0.713 26 K HN 0.637 nan 8.250 nan 0.000 0.442 27 E N -0.759 119.471 120.200 0.050 0.000 2.106 27 E HA -0.214 4.137 4.350 0.002 0.000 0.192 27 E C 1.823 178.459 176.600 0.059 0.000 0.984 27 E CA 1.198 57.628 56.400 0.051 0.000 0.806 27 E CB -0.191 29.555 29.700 0.077 0.000 0.750 27 E HN 0.384 nan 8.360 nan 0.000 0.458 28 Y N 1.335 121.625 120.300 -0.016 0.000 2.181 28 Y HA -0.209 4.342 4.550 0.002 0.000 0.288 28 Y C 1.818 177.627 175.900 -0.151 0.000 1.146 28 Y CA 1.394 59.473 58.100 -0.035 0.000 1.164 28 Y CB -0.103 38.354 38.460 -0.004 0.000 0.982 28 Y HN -0.049 nan 8.280 nan 0.000 0.515 29 L N -0.093 120.976 121.223 -0.256 0.000 2.056 29 L HA -0.174 4.167 4.340 0.002 0.000 0.207 29 L C 2.432 179.109 176.870 -0.321 0.000 1.078 29 L CA 1.577 56.164 54.840 -0.422 0.000 0.749 29 L CB -0.566 41.259 42.059 -0.390 0.000 0.901 29 L HN 0.246 nan 8.230 nan 0.000 0.433 30 E N 0.169 120.251 120.200 -0.197 0.000 2.070 30 E HA -0.289 4.063 4.350 0.002 0.000 0.197 30 E C 1.862 178.371 176.600 -0.152 0.000 1.004 30 E CA 1.849 58.165 56.400 -0.140 0.000 0.805 30 E CB -0.145 29.510 29.700 -0.075 0.000 0.744 30 E HN 0.411 nan 8.360 nan 0.000 0.451 31 N N 0.325 118.926 118.700 -0.164 0.000 2.106 31 N HA -0.164 4.577 4.740 0.002 0.000 0.188 31 N C 1.783 177.164 175.510 -0.215 0.000 1.029 31 N CA 0.654 53.611 53.050 -0.155 0.000 0.848 31 N CB -0.084 38.334 38.487 -0.116 0.000 1.007 31 N HN 0.039 nan 8.380 nan 0.000 0.423 32 L N 0.991 122.003 121.223 -0.352 0.000 2.046 32 L HA -0.060 4.281 4.340 0.002 0.000 0.208 32 L C 1.739 178.444 176.870 -0.275 0.000 1.077 32 L CA 1.637 56.259 54.840 -0.363 0.000 0.747 32 L CB -1.048 40.626 42.059 -0.642 0.000 0.896 32 L HN 0.260 nan 8.230 nan 0.000 0.432 33 N N 0.115 118.656 118.700 -0.266 0.000 2.061 33 N HA -0.228 4.514 4.740 0.002 0.000 0.193 33 N C 1.768 177.171 175.510 -0.179 0.000 1.030 33 N CA 1.756 54.697 53.050 -0.181 0.000 0.856 33 N CB -0.173 38.227 38.487 -0.145 0.000 1.023 33 N HN 0.473 nan 8.380 nan 0.000 0.424 34 K N 0.901 121.211 120.400 -0.150 0.000 2.097 34 K HA -0.166 4.155 4.320 0.002 0.000 0.206 34 K C 1.937 178.426 176.600 -0.185 0.000 1.049 34 K CA 1.014 57.226 56.287 -0.125 0.000 0.933 34 K CB -0.116 32.333 32.500 -0.086 0.000 0.717 34 K HN 0.339 nan 8.250 nan 0.000 0.442 35 E N 1.304 121.380 120.200 -0.207 0.000 2.072 35 E HA -0.152 4.199 4.350 0.002 0.000 0.191 35 E C 1.981 178.365 176.600 -0.362 0.000 0.985 35 E CA 0.723 56.977 56.400 -0.242 0.000 0.801 35 E CB 0.008 29.601 29.700 -0.179 0.000 0.750 35 E HN 0.193 nan 8.360 nan 0.000 0.452 36 L N 0.386 121.344 121.223 -0.442 0.000 2.046 36 L HA -0.143 4.198 4.340 0.002 0.000 0.208 36 L C 2.669 178.851 176.870 -1.146 0.000 1.077 36 L CA 1.000 55.385 54.840 -0.759 0.000 0.747 36 L CB -0.499 41.009 42.059 -0.918 0.000 0.896 36 L HN 0.251 nan 8.230 nan 0.000 0.432 37 A N 0.121 122.351 122.820 -0.983 0.000 1.883 37 A HA -0.281 4.040 4.320 0.002 0.000 0.217 37 A C 2.310 179.740 177.584 -0.257 0.000 1.186 37 A CA 2.171 53.890 52.037 -0.530 0.000 0.624 37 A CB -0.428 18.535 19.000 -0.062 0.000 0.822 37 A HN 0.213 nan 8.150 nan 0.000 0.444 38 K N -0.217 120.046 120.400 -0.228 0.000 2.057 38 K HA -0.036 4.286 4.320 0.002 0.000 0.206 38 K C 2.157 178.661 176.600 -0.160 0.000 1.050 38 K CA 1.500 57.702 56.287 -0.140 0.000 0.935 38 K CB -0.239 32.178 32.500 -0.138 0.000 0.715 38 K HN 0.469 nan 8.250 nan 0.000 0.439 39 R N -0.907 119.434 120.500 -0.265 0.000 2.092 39 R HA -0.033 4.308 4.340 0.002 0.000 0.231 39 R C 2.027 178.232 176.300 -0.158 0.000 1.119 39 R CA 1.735 57.688 56.100 -0.246 0.000 0.970 39 R CB -0.296 29.778 30.300 -0.377 0.000 0.864 39 R HN 0.193 nan 8.270 nan 0.000 0.440 40 T N 0.857 115.286 114.554 -0.209 0.000 2.904 40 T HA -0.118 4.233 4.350 0.002 0.000 0.267 40 T C 1.530 176.278 174.700 0.080 0.000 1.059 40 T CA 0.968 63.012 62.100 -0.093 0.000 1.137 40 T CB -0.303 68.428 68.868 -0.228 0.000 0.879 40 T HN 0.355 nan 8.240 nan 0.000 0.467 41 N N 1.315 120.076 118.700 0.102 0.000 2.061 41 N HA -0.143 4.598 4.740 0.002 0.000 0.193 41 N C 1.837 177.453 175.510 0.177 0.000 1.030 41 N CA 1.448 54.619 53.050 0.201 0.000 0.856 41 N CB -0.233 38.350 38.487 0.160 0.000 1.023 41 N HN 0.228 nan 8.380 nan 0.000 0.424 42 V N 1.429 121.396 119.914 0.089 0.000 2.343 42 V HA -0.164 3.957 4.120 0.002 0.000 0.247 42 V C 2.512 178.676 176.094 0.116 0.000 1.051 42 V CA 1.886 64.236 62.300 0.082 0.000 1.036 42 V CB -0.697 31.139 31.823 0.022 0.000 0.654 42 V HN 0.415 nan 8.190 nan 0.000 0.451 43 E N 0.148 120.412 120.200 0.106 0.000 2.077 43 E HA -0.219 4.133 4.350 0.002 0.000 0.193 43 E C 2.216 178.936 176.600 0.200 0.000 0.989 43 E CA 1.883 58.363 56.400 0.133 0.000 0.800 43 E CB -0.094 29.674 29.700 0.113 0.000 0.746 43 E HN 0.647 nan 8.360 nan 0.000 0.452 44 T N 1.356 116.040 114.554 0.217 0.000 2.746 44 T HA -0.129 4.222 4.350 0.002 0.000 0.267 44 T C 1.579 176.505 174.700 0.375 0.000 1.039 44 T CA 1.107 63.360 62.100 0.255 0.000 1.142 44 T CB -0.156 68.746 68.868 0.057 0.000 0.866 44 T HN 0.179 nan 8.240 nan 0.000 0.444 45 E N 1.315 121.753 120.200 0.398 0.000 2.085 45 E HA -0.084 4.267 4.350 0.002 0.000 0.194 45 E C 2.591 179.389 176.600 0.329 0.000 0.994 45 E CA 1.257 57.899 56.400 0.404 0.000 0.801 45 E CB -0.421 29.421 29.700 0.238 0.000 0.743 45 E HN 0.527 nan 8.360 nan 0.000 0.453 46 A N 1.279 124.250 122.820 0.250 0.000 1.930 46 A HA -0.016 4.305 4.320 0.002 0.000 0.217 46 A C 2.380 180.116 177.584 0.254 0.000 1.175 46 A CA 1.750 53.913 52.037 0.209 0.000 0.627 46 A CB -0.390 18.698 19.000 0.147 0.000 0.815 46 A HN 0.259 nan 8.150 nan 0.000 0.443 47 A N -1.150 121.861 122.820 0.318 0.000 1.930 47 A HA -0.130 4.192 4.320 0.002 0.000 0.217 47 A C 2.067 179.884 177.584 0.389 0.000 1.175 47 A CA 1.248 53.536 52.037 0.418 0.000 0.627 47 A CB -0.805 18.505 19.000 0.517 0.000 0.815 47 A HN 0.875 nan 8.150 nan 0.000 0.443 48 W N 0.965 122.247 121.300 -0.029 0.000 2.355 48 W HA -0.152 4.509 4.660 0.002 0.000 0.309 48 W C 2.124 178.528 176.519 -0.191 0.000 1.206 48 W CA 1.961 58.995 57.345 -0.517 0.000 1.284 48 W CB -0.434 28.785 29.460 -0.401 0.000 1.145 48 W HN 0.400 nan 8.180 nan 0.000 0.502 49 A N -0.163 122.719 122.820 0.104 0.000 1.933 49 A HA -0.273 4.049 4.320 0.002 0.000 0.218 49 A C 1.849 179.429 177.584 -0.007 0.000 1.175 49 A CA 1.733 53.789 52.037 0.032 0.000 0.628 49 A CB -1.542 17.549 19.000 0.151 0.000 0.814 49 A HN 0.527 nan 8.150 nan 0.000 0.444 50 Y N 0.584 120.863 120.300 -0.034 0.000 2.220 50 Y HA 0.060 4.612 4.550 0.002 0.000 0.291 50 Y C 2.426 178.301 175.900 -0.041 0.000 1.129 50 Y CA 1.268 59.363 58.100 -0.008 0.000 1.161 50 Y CB -0.773 37.722 38.460 0.059 0.000 0.997 50 Y HN 0.213 nan 8.280 nan 0.000 0.522 51 G N -1.326 107.405 108.800 -0.114 0.000 2.448 51 G HA2 -0.192 3.769 3.960 0.002 0.000 0.219 51 G HA3 -0.192 3.769 3.960 0.002 0.000 0.219 51 G C 1.663 176.357 174.900 -0.342 0.000 1.127 51 G CA 1.059 46.050 45.100 -0.182 0.000 0.766 51 G HN 0.430 nan 8.290 nan 0.000 0.552 52 S N -0.331 115.071 115.700 -0.497 0.000 2.501 52 S HA 0.081 4.553 4.470 0.002 0.000 0.220 52 S C 0.692 175.114 174.600 -0.298 0.000 0.997 52 S CA 0.139 58.036 58.200 -0.505 0.000 0.919 52 S CB 0.154 62.904 63.200 -0.751 0.000 0.778 52 S HN 0.401 nan 8.310 nan 0.000 0.523 53 N N 0.833 119.378 118.700 -0.258 0.000 2.946 53 N HA 0.204 4.945 4.740 0.002 0.000 0.213 53 N C -1.471 173.936 175.510 -0.171 0.000 1.440 53 N CA -0.117 52.834 53.050 -0.165 0.000 0.745 53 N CB -0.039 38.388 38.487 -0.101 0.000 1.471 53 N HN 0.050 nan 8.380 nan 0.000 0.569 54 I N 2.241 122.661 120.570 -0.251 0.000 2.483 54 I HA 0.118 4.289 4.170 0.002 0.000 0.291 54 I C 0.507 176.600 176.117 -0.041 0.000 1.112 54 I CA 0.396 61.513 61.300 -0.305 0.000 1.350 54 I CB 0.065 37.864 38.000 -0.335 0.000 1.419 54 I HN 0.440 nan 8.210 nan 0.000 0.523 55 T N -0.025 114.591 114.554 0.103 0.000 2.883 55 T HA 0.276 4.628 4.350 0.002 0.000 0.301 55 T C 0.425 175.233 174.700 0.180 0.000 1.158 55 T CA -0.879 61.291 62.100 0.117 0.000 1.007 55 T CB 2.040 70.954 68.868 0.076 0.000 1.186 55 T HN 0.331 nan 8.240 nan 0.000 0.499 56 D N 0.353 120.823 120.400 0.116 0.000 2.149 56 D HA -0.107 4.534 4.640 0.002 0.000 0.198 56 D C 1.662 178.005 176.300 0.073 0.000 0.990 56 D CA 1.388 55.442 54.000 0.091 0.000 0.839 56 D CB 0.048 40.883 40.800 0.059 0.000 0.948 56 D HN 0.834 nan 8.370 nan 0.000 0.460 57 E N 0.217 120.461 120.200 0.072 0.000 2.047 57 E HA -0.155 4.196 4.350 0.002 0.000 0.191 57 E C 1.632 178.274 176.600 0.071 0.000 0.987 57 E CA 0.719 57.154 56.400 0.058 0.000 0.799 57 E CB 0.165 29.895 29.700 0.051 0.000 0.752 57 E HN 0.075 nan 8.360 nan 0.000 0.449 58 N N 0.890 119.664 118.700 0.122 0.000 2.244 58 N HA -0.172 4.570 4.740 0.002 0.000 0.183 58 N C 1.630 177.199 175.510 0.100 0.000 1.016 58 N CA 0.915 54.067 53.050 0.171 0.000 0.866 58 N CB -0.227 38.422 38.487 0.271 0.000 0.980 58 N HN 0.348 nan 8.380 nan 0.000 0.430 59 E N 1.219 121.441 120.200 0.037 0.000 2.031 59 E HA -0.197 4.154 4.350 0.002 0.000 0.193 59 E C 1.846 178.333 176.600 -0.188 0.000 0.994 59 E CA 1.120 57.323 56.400 -0.329 0.000 0.800 59 E CB 0.051 29.659 29.700 -0.154 0.000 0.752 59 E HN 0.202 nan 8.360 nan 0.000 0.447 60 K N 0.565 120.926 120.400 -0.065 0.000 2.044 60 K HA -0.214 4.108 4.320 0.002 0.000 0.210 60 K C 2.139 178.723 176.600 -0.026 0.000 1.049 60 K CA 1.867 58.132 56.287 -0.037 0.000 0.927 60 K CB 0.047 32.544 32.500 -0.004 0.000 0.713 60 K HN -0.006 nan 8.250 nan 0.000 0.443 61 K N 0.489 120.885 120.400 -0.006 0.000 2.057 61 K HA -0.160 4.161 4.320 0.002 0.000 0.206 61 K C 2.214 178.823 176.600 0.015 0.000 1.050 61 K CA 1.352 57.650 56.287 0.017 0.000 0.935 61 K CB -0.092 32.434 32.500 0.043 0.000 0.715 61 K HN 0.117 nan 8.250 nan 0.000 0.439 62 K N 1.072 121.463 120.400 -0.016 0.000 2.032 62 K HA -0.171 4.151 4.320 0.002 0.000 0.209 62 K C 1.641 178.231 176.600 -0.017 0.000 1.048 62 K CA 1.666 57.946 56.287 -0.011 0.000 0.927 62 K CB 0.005 32.445 32.500 -0.099 0.000 0.712 62 K HN 0.050 nan 8.250 nan 0.000 0.441 63 N N 1.010 119.668 118.700 -0.069 0.000 2.270 63 N HA -0.101 4.640 4.740 0.002 0.000 0.181 63 N C 1.433 176.945 175.510 0.004 0.000 1.016 63 N CA 0.978 53.995 53.050 -0.055 0.000 0.870 63 N CB 0.013 38.436 38.487 -0.106 0.000 0.979 63 N HN 0.367 nan 8.380 nan 0.000 0.431 64 E N 0.310 120.517 120.200 0.012 0.000 2.072 64 E HA -0.031 4.320 4.350 0.002 0.000 0.190 64 E C 1.638 178.273 176.600 0.059 0.000 0.982 64 E CA 0.494 56.916 56.400 0.036 0.000 0.803 64 E CB 0.105 29.820 29.700 0.025 0.000 0.755 64 E HN 0.233 nan 8.360 nan 0.000 0.453 65 I N 1.048 121.652 120.570 0.057 0.000 2.252 65 I HA -0.190 3.981 4.170 0.002 0.000 0.245 65 I C 2.320 178.494 176.117 0.095 0.000 1.102 65 I CA 1.056 62.395 61.300 0.065 0.000 1.385 65 I CB -1.137 36.902 38.000 0.065 0.000 1.064 65 I HN -0.026 nan 8.210 nan 0.000 0.414 66 S N 1.142 116.917 115.700 0.125 0.000 2.356 66 S HA -0.129 4.342 4.470 0.002 0.000 0.223 66 S C 2.283 177.072 174.600 0.316 0.000 1.032 66 S CA 1.411 59.735 58.200 0.207 0.000 1.005 66 S CB -0.307 63.017 63.200 0.205 0.000 0.867 66 S HN 0.551 nan 8.310 nan 0.000 0.449 67 A N 1.249 124.257 122.820 0.313 0.000 1.940 67 A HA -0.209 4.113 4.320 0.002 0.000 0.219 67 A C 2.032 179.706 177.584 0.151 0.000 1.176 67 A CA 1.915 54.147 52.037 0.324 0.000 0.631 67 A CB -0.627 18.508 19.000 0.225 0.000 0.814 67 A HN 0.636 nan 8.150 nan 0.000 0.446 68 E N -0.720 119.546 120.200 0.109 0.000 2.072 68 E HA -0.180 4.171 4.350 0.002 0.000 0.191 68 E C 1.908 178.549 176.600 0.069 0.000 0.985 68 E CA 1.271 57.712 56.400 0.069 0.000 0.801 68 E CB -0.192 29.534 29.700 0.043 0.000 0.750 68 E HN 0.452 nan 8.360 nan 0.000 0.452 69 L N 0.830 122.093 121.223 0.068 0.000 2.093 69 L HA -0.035 4.306 4.340 0.002 0.000 0.208 69 L C 2.233 179.144 176.870 0.068 0.000 1.085 69 L CA 2.066 56.949 54.840 0.071 0.000 0.755 69 L CB -0.681 41.409 42.059 0.051 0.000 0.904 69 L HN 0.176 nan 8.230 nan 0.000 0.435 70 A N -0.532 122.277 122.820 -0.017 0.000 1.908 70 A HA -0.285 4.037 4.320 0.002 0.000 0.218 70 A C 2.462 179.973 177.584 -0.122 0.000 1.181 70 A CA 2.043 53.960 52.037 -0.199 0.000 0.627 70 A CB -0.644 17.958 19.000 -0.664 0.000 0.818 70 A HN 0.500 nan 8.150 nan 0.000 0.445 71 K N -1.688 118.689 120.400 -0.039 0.000 2.063 71 K HA -0.170 4.152 4.320 0.002 0.000 0.208 71 K C 1.759 178.384 176.600 0.042 0.000 1.048 71 K CA 1.708 57.996 56.287 0.001 0.000 0.928 71 K CB -0.307 32.217 32.500 0.040 0.000 0.713 71 K HN 0.446 nan 8.250 nan 0.000 0.442 72 F N 0.998 120.912 119.950 -0.059 0.000 2.186 72 F HA -0.181 4.348 4.527 0.002 0.000 0.299 72 F C 1.917 177.681 175.800 -0.060 0.000 1.090 72 F CA 1.134 59.100 58.000 -0.055 0.000 1.307 72 F CB -0.042 38.917 39.000 -0.067 0.000 1.019 72 F HN 0.000 nan 8.300 nan 0.000 0.489 73 M N 0.469 120.017 119.600 -0.087 0.000 2.108 73 M HA -0.210 4.271 4.480 0.002 0.000 0.261 73 M C 2.126 178.314 176.300 -0.187 0.000 1.066 73 M CA 1.487 56.688 55.300 -0.166 0.000 1.107 73 M CB -1.364 31.191 32.600 -0.075 0.000 1.356 73 M HN 0.131 nan 8.290 nan 0.000 0.406 74 K N 0.219 120.534 120.400 -0.141 0.000 2.044 74 K HA -0.197 4.124 4.320 0.002 0.000 0.210 74 K C 1.944 178.470 176.600 -0.123 0.000 1.049 74 K CA 1.620 57.841 56.287 -0.110 0.000 0.927 74 K CB -0.138 32.313 32.500 -0.083 0.000 0.713 74 K HN 0.476 nan 8.250 nan 0.000 0.443 75 E N 0.132 120.227 120.200 -0.174 0.000 2.077 75 E HA -0.162 4.189 4.350 0.002 0.000 0.193 75 E C 2.052 178.531 176.600 -0.202 0.000 0.989 75 E CA 1.145 57.440 56.400 -0.175 0.000 0.800 75 E CB 0.001 29.585 29.700 -0.193 0.000 0.746 75 E HN 0.041 nan 8.360 nan 0.000 0.452 76 V N 1.517 121.220 119.914 -0.351 0.000 2.261 76 V HA -0.300 3.821 4.120 0.002 0.000 0.246 76 V C 2.377 178.432 176.094 -0.066 0.000 1.047 76 V CA 1.961 64.113 62.300 -0.246 0.000 1.015 76 V CB -0.789 30.808 31.823 -0.376 0.000 0.642 76 V HN 0.337 nan 8.190 nan 0.000 0.446 77 A N -0.658 122.115 122.820 -0.078 0.000 1.940 77 A HA -0.264 4.057 4.320 0.002 0.000 0.219 77 A C 2.567 180.168 177.584 0.028 0.000 1.176 77 A CA 2.369 54.399 52.037 -0.012 0.000 0.631 77 A CB -0.817 18.167 19.000 -0.027 0.000 0.814 77 A HN 0.512 nan 8.150 nan 0.000 0.446 78 S N -0.333 115.366 115.700 -0.002 0.000 2.368 78 S HA -0.183 4.288 4.470 0.002 0.000 0.225 78 S C 1.593 176.218 174.600 0.041 0.000 1.030 78 S CA 1.710 59.916 58.200 0.011 0.000 0.999 78 S CB -0.506 62.684 63.200 -0.015 0.000 0.844 78 S HN 0.549 nan 8.310 nan 0.000 0.459 79 D N 0.787 121.222 120.400 0.059 0.000 2.219 79 D HA -0.047 4.595 4.640 0.002 0.000 0.205 79 D C 2.267 178.698 176.300 0.219 0.000 0.970 79 D CA 1.597 55.662 54.000 0.108 0.000 0.851 79 D CB -0.736 40.161 40.800 0.161 0.000 0.943 79 D HN 0.715 nan 8.370 nan 0.000 0.488 80 T N -1.653 113.068 114.554 0.278 0.000 2.881 80 T HA -0.178 4.174 4.350 0.002 0.000 0.270 80 T C 1.974 176.894 174.700 0.366 0.000 1.068 80 T CA 1.854 64.217 62.100 0.437 0.000 1.131 80 T CB -0.829 68.261 68.868 0.370 0.000 0.871 80 T HN 0.191 nan 8.240 nan 0.000 0.479 81 T N -0.367 114.306 114.554 0.198 0.000 3.007 81 T HA 0.079 4.430 4.350 0.002 0.000 0.270 81 T C 1.721 176.419 174.700 -0.003 0.000 1.107 81 T CA 0.642 62.795 62.100 0.089 0.000 1.118 81 T CB -0.469 68.419 68.868 0.034 0.000 0.889 81 T HN 0.490 nan 8.240 nan 0.000 0.506 82 K N -0.155 120.223 120.400 -0.038 0.000 2.432 82 K HA 0.214 4.536 4.320 0.002 0.000 0.196 82 K C -0.413 175.943 176.600 -0.406 0.000 1.038 82 K CA 0.295 56.436 56.287 -0.243 0.000 0.986 82 K CB 0.030 32.317 32.500 -0.354 0.000 0.782 82 K HN 0.395 nan 8.250 nan 0.000 0.485 83 F N 1.091 120.983 119.950 -0.096 0.000 2.443 83 F HA 0.191 4.719 4.527 0.002 0.000 0.335 83 F C 0.722 176.354 175.800 -0.280 0.000 1.104 83 F CA -1.021 56.888 58.000 -0.152 0.000 1.013 83 F CB 1.452 40.297 39.000 -0.259 0.000 1.136 83 F HN -0.236 nan 8.300 nan 0.000 0.470 84 Q N 4.664 124.375 119.800 -0.148 0.000 2.903 84 Q HA -0.044 4.297 4.340 0.002 0.000 0.295 84 Q C 1.333 176.812 176.000 -0.868 0.000 1.157 84 Q CA -0.089 55.483 55.803 -0.386 0.000 0.930 84 Q CB -0.366 28.251 28.738 -0.202 0.000 1.571 84 Q HN 0.904 nan 8.270 nan 0.000 0.440 85 W N -0.110 120.589 121.300 -1.001 0.000 2.374 85 W HA -0.134 4.528 4.660 0.002 0.000 0.288 85 W C 0.751 176.787 176.519 -0.805 0.000 1.218 85 W CA 0.256 56.747 57.345 -1.423 0.000 1.245 85 W CB -0.496 28.201 29.460 -1.273 0.000 1.126 85 W HN 0.236 nan 8.180 nan 0.000 0.545 86 R N 0.865 120.730 120.500 -1.058 0.000 2.241 86 R HA -0.062 4.280 4.340 0.002 0.000 0.224 86 R C 2.163 178.245 176.300 -0.363 0.000 1.101 86 R CA 1.518 57.180 56.100 -0.731 0.000 0.995 86 R CB -0.256 29.509 30.300 -0.892 0.000 0.870 86 R HN 0.072 nan 8.270 nan 0.000 0.463 87 S N -0.408 115.063 115.700 -0.381 0.000 2.558 87 S HA 0.074 4.545 4.470 0.002 0.000 0.217 87 S C -0.134 174.498 174.600 0.054 0.000 0.975 87 S CA 0.044 58.151 58.200 -0.155 0.000 0.912 87 S CB 0.049 63.168 63.200 -0.135 0.000 0.776 87 S HN 0.130 nan 8.310 nan 0.000 0.526 88 Y N 2.525 122.830 120.300 0.009 0.000 2.357 88 Y HA 0.221 4.772 4.550 0.002 0.000 0.340 88 Y C 1.751 177.683 175.900 0.053 0.000 1.260 88 Y CA -1.326 56.803 58.100 0.049 0.000 1.425 88 Y CB 0.301 38.819 38.460 0.097 0.000 1.326 88 Y HN 0.041 nan 8.280 nan 0.000 0.580 89 Q N 0.450 120.382 119.800 0.220 0.000 2.163 89 Q HA -0.046 4.296 4.340 0.002 0.000 0.198 89 Q C 0.685 176.760 176.000 0.126 0.000 0.954 89 Q CA 0.591 56.471 55.803 0.127 0.000 0.851 89 Q CB -0.152 28.632 28.738 0.076 0.000 0.928 89 Q HN 0.545 nan 8.270 nan 0.000 0.459 90 S N 1.464 117.251 115.700 0.145 0.000 2.455 90 S HA 0.030 4.501 4.470 0.002 0.000 0.278 90 S C 1.041 175.743 174.600 0.169 0.000 1.216 90 S CA -0.380 57.899 58.200 0.131 0.000 1.055 90 S CB 0.641 63.907 63.200 0.109 0.000 0.939 90 S HN 0.052 nan 8.310 nan 0.000 0.494 91 E N 3.741 124.018 120.200 0.130 0.000 2.110 91 E HA -0.155 4.196 4.350 0.002 0.000 0.193 91 E C 1.320 178.008 176.600 0.148 0.000 0.988 91 E CA 1.238 57.716 56.400 0.130 0.000 0.804 91 E CB -0.235 29.516 29.700 0.084 0.000 0.745 91 E HN 0.869 nan 8.360 nan 0.000 0.458 92 D N 0.633 121.116 120.400 0.140 0.000 2.097 92 D HA -0.115 4.527 4.640 0.002 0.000 0.195 92 D C 2.140 178.552 176.300 0.187 0.000 0.989 92 D CA 0.861 54.964 54.000 0.172 0.000 0.827 92 D CB -0.126 40.763 40.800 0.147 0.000 0.966 92 D HN 0.078 nan 8.370 nan 0.000 0.456 93 L N 0.019 121.356 121.223 0.190 0.000 2.017 93 L HA -0.141 4.200 4.340 0.002 0.000 0.208 93 L C 2.572 179.657 176.870 0.358 0.000 1.073 93 L CA 1.169 56.158 54.840 0.249 0.000 0.745 93 L CB -0.452 41.791 42.059 0.306 0.000 0.894 93 L HN 0.069 nan 8.230 nan 0.000 0.432 94 K N -0.151 120.470 120.400 0.368 0.000 2.063 94 K HA -0.230 4.092 4.320 0.002 0.000 0.208 94 K C 2.236 178.944 176.600 0.180 0.000 1.048 94 K CA 1.328 57.849 56.287 0.389 0.000 0.928 94 K CB -0.200 32.535 32.500 0.392 0.000 0.713 94 K HN 0.207 nan 8.250 nan 0.000 0.442 95 R N 1.476 122.070 120.500 0.157 0.000 2.081 95 R HA -0.154 4.187 4.340 0.002 0.000 0.235 95 R C 2.192 178.501 176.300 0.014 0.000 1.131 95 R CA 1.507 57.672 56.100 0.109 0.000 0.960 95 R CB 0.037 30.441 30.300 0.174 0.000 0.856 95 R HN 0.260 nan 8.270 nan 0.000 0.436 96 Q N -0.683 119.092 119.800 -0.042 0.000 2.050 96 Q HA -0.175 4.166 4.340 0.002 0.000 0.202 96 Q C 1.985 177.757 176.000 -0.379 0.000 0.980 96 Q CA 1.721 57.352 55.803 -0.287 0.000 0.840 96 Q CB -0.148 28.346 28.738 -0.407 0.000 0.898 96 Q HN 0.300 nan 8.270 nan 0.000 0.424 97 F N 1.217 120.909 119.950 -0.430 0.000 2.126 97 F HA -0.204 4.325 4.527 0.002 0.000 0.299 97 F C 2.422 177.650 175.800 -0.955 0.000 1.096 97 F CA 1.415 58.957 58.000 -0.763 0.000 1.255 97 F CB -0.134 38.189 39.000 -1.129 0.000 0.997 97 F HN -0.028 nan 8.300 nan 0.000 0.479 98 K N 0.146 120.106 120.400 -0.733 0.000 2.032 98 K HA -0.187 4.134 4.320 0.002 0.000 0.209 98 K C 2.271 178.740 176.600 -0.219 0.000 1.048 98 K CA 1.227 57.227 56.287 -0.477 0.000 0.927 98 K CB -0.353 32.042 32.500 -0.175 0.000 0.712 98 K HN 0.201 nan 8.250 nan 0.000 0.441 99 A N 1.066 123.776 122.820 -0.184 0.000 1.940 99 A HA -0.160 4.161 4.320 0.002 0.000 0.219 99 A C 2.032 179.533 177.584 -0.138 0.000 1.176 99 A CA 1.438 53.396 52.037 -0.132 0.000 0.631 99 A CB -0.622 18.295 19.000 -0.139 0.000 0.814 99 A HN 0.332 nan 8.150 nan 0.000 0.446 100 L N -0.068 121.037 121.223 -0.196 0.000 2.291 100 L HA -0.106 4.235 4.340 0.002 0.000 0.214 100 L C 2.770 179.583 176.870 -0.095 0.000 1.120 100 L CA 1.499 56.244 54.840 -0.158 0.000 0.799 100 L CB -0.675 41.256 42.059 -0.213 0.000 0.925 100 L HN 0.658 nan 8.230 nan 0.000 0.446 101 T N -3.354 111.146 114.554 -0.089 0.000 3.023 101 T HA -0.079 4.273 4.350 0.002 0.000 0.266 101 T C 0.923 175.623 174.700 0.001 0.000 1.093 101 T CA 0.253 62.346 62.100 -0.011 0.000 1.129 101 T CB -0.200 68.700 68.868 0.054 0.000 0.899 101 T HN 0.137 nan 8.240 nan 0.000 0.491 102 K N 1.350 121.747 120.400 -0.004 0.000 2.250 102 K HA 0.394 4.715 4.320 0.002 0.000 0.285 102 K C 0.489 177.098 176.600 0.015 0.000 1.097 102 K CA -0.260 56.048 56.287 0.036 0.000 0.913 102 K CB 0.898 33.435 32.500 0.061 0.000 1.179 102 K HN 0.225 nan 8.250 nan 0.000 0.462 103 L N 2.002 123.237 121.223 0.021 0.000 2.249 103 L HA 0.019 4.360 4.340 0.002 0.000 0.207 103 L C 1.384 178.254 176.870 -0.000 0.000 1.090 103 L CA 0.751 55.589 54.840 -0.004 0.000 0.802 103 L CB -0.424 41.628 42.059 -0.012 0.000 0.947 103 L HN 1.063 nan 8.230 nan 0.000 0.453 104 G N -0.208 108.608 108.800 0.026 0.000 2.574 104 G HA2 -0.402 3.559 3.960 0.002 0.000 0.286 104 G HA3 -0.402 3.559 3.960 0.002 0.000 0.286 104 G C 0.377 175.333 174.900 0.093 0.000 1.212 104 G CA 0.619 45.706 45.100 -0.020 0.000 0.979 104 G HN 0.072 nan 8.290 nan 0.000 0.557 105 Y N 0.978 121.330 120.300 0.087 0.000 2.333 105 Y HA 0.144 4.695 4.550 0.002 0.000 0.290 105 Y C 3.304 179.224 175.900 0.033 0.000 1.144 105 Y CA 1.560 59.754 58.100 0.157 0.000 1.228 105 Y CB -1.317 37.356 38.460 0.354 0.000 0.985 105 Y HN 0.738 nan 8.280 nan 0.000 0.542 106 A N 0.042 122.861 122.820 -0.001 0.000 2.131 106 A HA -0.042 4.279 4.320 0.002 0.000 0.220 106 A C 2.432 179.925 177.584 -0.151 0.000 1.158 106 A CA 1.360 53.226 52.037 -0.285 0.000 0.665 106 A CB -0.892 17.981 19.000 -0.212 0.000 0.795 106 A HN 0.358 nan 8.150 nan 0.000 0.460 107 A N -0.625 122.179 122.820 -0.026 0.000 2.119 107 A HA 0.291 4.613 4.320 0.002 0.000 0.217 107 A C 1.025 178.612 177.584 0.006 0.000 1.153 107 A CA 0.067 52.100 52.037 -0.007 0.000 0.692 107 A CB -0.373 18.642 19.000 0.023 0.000 0.799 107 A HN 0.463 nan 8.150 nan 0.000 0.458 108 L N 0.708 121.954 121.223 0.039 0.000 2.461 108 L HA 0.163 4.504 4.340 0.002 0.000 0.272 108 L C -2.077 174.819 176.870 0.042 0.000 1.197 108 L CA -1.814 53.065 54.840 0.064 0.000 0.836 108 L CB 0.206 42.352 42.059 0.144 0.000 1.105 108 L HN 0.069 nan 8.230 nan 0.000 0.477 109 P HA -0.059 nan 4.420 nan 0.000 0.268 109 P C 0.432 177.773 177.300 0.068 0.000 1.208 109 P CA -0.065 63.056 63.100 0.035 0.000 0.777 109 P CB 0.501 32.217 31.700 0.026 0.000 0.875 110 E N 1.193 121.427 120.200 0.057 0.000 2.086 110 E HA -0.313 4.038 4.350 0.002 0.000 0.200 110 E C 0.862 177.524 176.600 0.103 0.000 1.012 110 E CA 1.820 58.272 56.400 0.085 0.000 0.812 110 E CB -0.114 29.619 29.700 0.056 0.000 0.743 110 E HN 0.396 nan 8.360 nan 0.000 0.453 111 D N 0.361 120.799 120.400 0.063 0.000 2.144 111 D HA -0.129 4.513 4.640 0.002 0.000 0.200 111 D C 1.584 177.907 176.300 0.040 0.000 0.978 111 D CA 0.938 54.964 54.000 0.043 0.000 0.833 111 D CB -0.370 40.445 40.800 0.024 0.000 0.961 111 D HN 0.216 nan 8.370 nan 0.000 0.470 112 D N -0.496 119.933 120.400 0.048 0.000 2.144 112 D HA -0.154 4.487 4.640 0.002 0.000 0.200 112 D C 1.866 178.196 176.300 0.050 0.000 0.978 112 D CA 0.566 54.586 54.000 0.033 0.000 0.833 112 D CB -0.320 40.498 40.800 0.031 0.000 0.961 112 D HN 0.254 nan 8.370 nan 0.000 0.470 113 Y N 1.457 121.744 120.300 -0.022 0.000 2.242 113 Y HA -0.087 4.464 4.550 0.002 0.000 0.291 113 Y C 2.212 178.102 175.900 -0.017 0.000 1.137 113 Y CA 1.358 59.447 58.100 -0.017 0.000 1.181 113 Y CB -0.338 38.132 38.460 0.017 0.000 0.989 113 Y HN -0.059 nan 8.280 nan 0.000 0.527 114 A N -0.043 122.771 122.820 -0.010 0.000 1.898 114 A HA -0.212 4.109 4.320 0.002 0.000 0.216 114 A C 2.239 179.754 177.584 -0.116 0.000 1.181 114 A CA 1.773 53.763 52.037 -0.078 0.000 0.620 114 A CB -0.831 18.172 19.000 0.005 0.000 0.819 114 A HN 0.611 nan 8.150 nan 0.000 0.442 115 E N -0.612 119.540 120.200 -0.081 0.000 2.072 115 E HA -0.191 4.160 4.350 0.002 0.000 0.191 115 E C 1.898 178.429 176.600 -0.115 0.000 0.985 115 E CA 1.268 57.622 56.400 -0.076 0.000 0.801 115 E CB -0.172 29.500 29.700 -0.047 0.000 0.750 115 E HN 0.438 nan 8.360 nan 0.000 0.452 116 L N 1.003 122.124 121.223 -0.170 0.000 2.046 116 L HA -0.151 4.190 4.340 0.002 0.000 0.208 116 L C 2.140 178.865 176.870 -0.242 0.000 1.077 116 L CA 1.502 56.210 54.840 -0.219 0.000 0.747 116 L CB -0.462 41.407 42.059 -0.317 0.000 0.896 116 L HN 0.219 nan 8.230 nan 0.000 0.432 117 L N -0.649 120.371 121.223 -0.338 0.000 2.042 117 L HA -0.238 4.104 4.340 0.002 0.000 0.210 117 L C 2.250 179.021 176.870 -0.165 0.000 1.076 117 L CA 1.478 56.149 54.840 -0.282 0.000 0.749 117 L CB -0.865 40.985 42.059 -0.347 0.000 0.893 117 L HN 0.294 nan 8.230 nan 0.000 0.432 118 D N -0.773 119.546 120.400 -0.135 0.000 2.178 118 D HA -0.130 4.511 4.640 0.002 0.000 0.202 118 D C 2.177 178.443 176.300 -0.056 0.000 0.974 118 D CA 1.523 55.473 54.000 -0.084 0.000 0.841 118 D CB -0.138 40.625 40.800 -0.062 0.000 0.953 118 D HN 0.292 nan 8.370 nan 0.000 0.478 119 T N 1.140 115.658 114.554 -0.060 0.000 2.737 119 T HA -0.042 4.309 4.350 0.002 0.000 0.265 119 T C 2.273 176.951 174.700 -0.036 0.000 1.038 119 T CA 0.515 62.598 62.100 -0.029 0.000 1.144 119 T CB -0.219 68.639 68.868 -0.016 0.000 0.866 119 T HN 0.115 nan 8.240 nan 0.000 0.434 120 L N 1.567 122.750 121.223 -0.068 0.000 2.046 120 L HA -0.115 4.226 4.340 0.002 0.000 0.208 120 L C 2.944 179.799 176.870 -0.025 0.000 1.077 120 L CA 1.516 56.311 54.840 -0.076 0.000 0.747 120 L CB -0.762 41.256 42.059 -0.067 0.000 0.896 120 L HN 0.378 nan 8.230 nan 0.000 0.432 121 S N -0.084 115.604 115.700 -0.019 0.000 2.406 121 S HA -0.086 4.386 4.470 0.002 0.000 0.228 121 S C 2.178 176.834 174.600 0.094 0.000 1.020 121 S CA 0.664 58.888 58.200 0.039 0.000 0.965 121 S CB -0.424 62.718 63.200 -0.098 0.000 0.798 121 S HN 0.342 nan 8.310 nan 0.000 0.488 122 A N 2.167 125.016 122.820 0.048 0.000 1.908 122 A HA 0.030 4.351 4.320 0.002 0.000 0.218 122 A C 2.349 179.981 177.584 0.080 0.000 1.181 122 A CA 1.734 53.809 52.037 0.064 0.000 0.627 122 A CB -0.732 18.293 19.000 0.041 0.000 0.818 122 A HN 0.571 nan 8.150 nan 0.000 0.445 123 M N -1.646 117.990 119.600 0.060 0.000 2.156 123 M HA -0.094 4.387 4.480 0.002 0.000 0.264 123 M C 2.239 178.593 176.300 0.089 0.000 1.067 123 M CA 1.777 57.117 55.300 0.066 0.000 1.131 123 M CB -0.311 32.303 32.600 0.025 0.000 1.368 123 M HN 0.618 nan 8.290 nan 0.000 0.416 124 E N 0.419 120.666 120.200 0.079 0.000 2.106 124 E HA -0.173 4.178 4.350 0.002 0.000 0.192 124 E C 1.972 178.705 176.600 0.222 0.000 0.984 124 E CA 1.748 58.222 56.400 0.123 0.000 0.806 124 E CB 0.149 29.927 29.700 0.129 0.000 0.750 124 E HN 0.490 nan 8.360 nan 0.000 0.458 125 S N 0.419 116.244 115.700 0.209 0.000 2.387 125 S HA -0.164 4.308 4.470 0.002 0.000 0.226 125 S C 1.925 176.612 174.600 0.144 0.000 1.026 125 S CA 1.005 59.312 58.200 0.178 0.000 0.972 125 S CB -0.530 62.797 63.200 0.211 0.000 0.814 125 S HN 0.328 nan 8.310 nan 0.000 0.477 126 N N 0.960 119.741 118.700 0.135 0.000 2.043 126 N HA -0.198 4.544 4.740 0.002 0.000 0.193 126 N C 1.648 177.222 175.510 0.106 0.000 1.037 126 N CA 1.759 54.867 53.050 0.098 0.000 0.851 126 N CB -0.481 38.056 38.487 0.083 0.000 1.027 126 N HN 0.507 nan 8.380 nan 0.000 0.422 127 F N 1.560 121.530 119.950 0.034 0.000 2.126 127 F HA -0.090 4.439 4.527 0.002 0.000 0.299 127 F C 2.427 178.300 175.800 0.123 0.000 1.096 127 F CA 1.758 59.796 58.000 0.062 0.000 1.255 127 F CB -0.421 38.639 39.000 0.099 0.000 0.997 127 F HN 0.131 nan 8.300 nan 0.000 0.479 128 A N -0.393 122.619 122.820 0.319 0.000 2.014 128 A HA -0.115 4.206 4.320 0.002 0.000 0.218 128 A C 2.014 179.637 177.584 0.064 0.000 1.163 128 A CA 1.302 53.466 52.037 0.212 0.000 0.652 128 A CB -0.503 18.611 19.000 0.190 0.000 0.808 128 A HN 0.451 nan 8.150 nan 0.000 0.449 129 K N -0.233 120.192 120.400 0.042 0.000 2.404 129 K HA 0.222 4.543 4.320 0.002 0.000 0.194 129 K C -0.364 176.232 176.600 -0.007 0.000 1.023 129 K CA -0.245 56.052 56.287 0.017 0.000 1.094 129 K CB 0.432 32.948 32.500 0.026 0.000 0.841 129 K HN 0.233 nan 8.250 nan 0.000 0.523 130 V N 3.267 123.153 119.914 -0.047 0.000 2.540 130 V HA -0.050 4.071 4.120 0.002 0.000 0.297 130 V C 0.207 176.305 176.094 0.007 0.000 1.024 130 V CA 0.583 62.847 62.300 -0.060 0.000 1.105 130 V CB 0.243 31.967 31.823 -0.165 0.000 0.938 130 V HN 0.127 nan 8.190 nan 0.000 0.482 131 K N 4.259 124.672 120.400 0.021 0.000 2.427 131 K HA 0.683 5.005 4.320 0.002 0.000 0.252 131 K C -0.747 175.895 176.600 0.070 0.000 0.931 131 K CA -0.524 55.794 56.287 0.052 0.000 0.793 131 K CB 2.410 34.936 32.500 0.043 0.000 1.211 131 K HN 0.531 nan 8.250 nan 0.000 0.426 132 V N -1.715 118.267 119.914 0.114 0.000 3.046 132 V HA 0.609 4.730 4.120 0.002 0.000 0.316 132 V C -0.024 176.179 176.094 0.181 0.000 1.104 132 V CA -0.907 61.476 62.300 0.138 0.000 1.006 132 V CB 1.748 33.673 31.823 0.170 0.000 1.058 132 V HN 0.793 nan 8.190 nan 0.000 0.440 133 c N 2.281 121.000 118.600 0.199 0.000 2.463 133 c HA 0.378 4.949 4.570 0.002 0.000 0.380 133 c C 0.453 174.731 174.090 0.313 0.000 1.264 133 c CA -0.190 56.268 56.329 0.215 0.000 2.161 133 c CB 0.017 42.632 42.510 0.174 0.000 2.515 133 c HN 1.026 nan 8.230 nan 0.000 0.565 134 D N 0.430 120.976 120.400 0.242 0.000 2.488 134 D HA -0.090 4.551 4.640 0.002 0.000 0.238 134 D C 0.550 176.922 176.300 0.121 0.000 1.138 134 D CA 0.247 54.409 54.000 0.270 0.000 0.873 134 D CB 0.373 41.276 40.800 0.173 0.000 1.183 134 D HN 0.693 nan 8.370 nan 0.000 0.458 135 Y N 4.542 124.793 120.300 -0.082 0.000 2.207 135 Y HA -0.156 4.395 4.550 0.002 0.000 0.287 135 Y C 1.753 177.460 175.900 -0.321 0.000 1.156 135 Y CA 1.682 59.447 58.100 -0.558 0.000 1.182 135 Y CB 0.250 38.444 38.460 -0.445 0.000 0.979 135 Y HN 0.410 nan 8.280 nan 0.000 0.521 136 K N -1.016 119.281 120.400 -0.172 0.000 2.361 136 K HA 0.035 4.356 4.320 0.002 0.000 0.194 136 K C -0.287 176.229 176.600 -0.140 0.000 1.032 136 K CA 0.605 56.761 56.287 -0.219 0.000 1.048 136 K CB 0.482 32.939 32.500 -0.071 0.000 0.842 136 K HN 0.041 nan 8.250 nan 0.000 0.526 137 D N 0.370 120.724 120.400 -0.077 0.000 2.330 137 D HA 0.022 4.663 4.640 0.002 0.000 0.249 137 D C 0.313 176.603 176.300 -0.018 0.000 1.306 137 D CA -0.196 53.781 54.000 -0.038 0.000 0.956 137 D CB 1.057 41.858 40.800 0.002 0.000 1.261 137 D HN -0.015 nan 8.370 nan 0.000 0.544 138 S N 0.995 116.670 115.700 -0.042 0.000 2.603 138 S HA -0.109 4.363 4.470 0.002 0.000 0.229 138 S C 1.465 176.073 174.600 0.014 0.000 0.972 138 S CA 1.128 59.322 58.200 -0.011 0.000 0.935 138 S CB -0.367 62.814 63.200 -0.031 0.000 0.769 138 S HN 0.439 nan 8.310 nan 0.000 0.536 139 T N -2.004 112.557 114.554 0.011 0.000 3.037 139 T HA 0.253 4.604 4.350 0.002 0.000 0.251 139 T C 0.578 175.297 174.700 0.032 0.000 1.079 139 T CA -0.178 61.934 62.100 0.019 0.000 1.067 139 T CB -0.263 68.611 68.868 0.010 0.000 0.948 139 T HN 0.290 nan 8.240 nan 0.000 0.496 140 K N 1.279 121.703 120.400 0.041 0.000 2.231 140 K HA 0.381 4.702 4.320 0.002 0.000 0.275 140 K C -0.959 175.688 176.600 0.079 0.000 1.105 140 K CA -0.511 55.809 56.287 0.055 0.000 0.931 140 K CB -0.065 32.470 32.500 0.058 0.000 1.296 140 K HN 0.285 nan 8.250 nan 0.000 0.446 141 c N 3.799 122.441 118.600 0.070 0.000 2.513 141 c HA 0.172 4.743 4.570 0.002 0.000 0.281 141 c C 0.195 174.330 174.090 0.074 0.000 1.501 141 c CA -0.747 55.632 56.329 0.083 0.000 1.749 141 c CB -0.992 41.559 42.510 0.069 0.000 2.955 141 c HN 0.775 nan 8.230 nan 0.000 0.532 142 D N -0.693 119.752 120.400 0.075 0.000 2.650 142 D HA 0.145 4.786 4.640 0.002 0.000 0.265 142 D C -0.226 176.113 176.300 0.064 0.000 1.339 142 D CA -0.242 53.794 54.000 0.060 0.000 0.816 142 D CB -0.076 40.751 40.800 0.044 0.000 1.091 142 D HN 0.203 nan 8.370 nan 0.000 0.483 143 L N 1.560 122.838 121.223 0.091 0.000 2.315 143 L HA 0.539 4.880 4.340 0.002 0.000 0.283 143 L C 0.687 177.598 176.870 0.069 0.000 1.089 143 L CA -0.203 54.689 54.840 0.086 0.000 0.833 143 L CB 1.219 43.363 42.059 0.143 0.000 1.170 143 L HN 0.139 nan 8.230 nan 0.000 0.442 144 A N 2.673 125.514 122.820 0.035 0.000 2.269 144 A HA 0.459 4.780 4.320 0.002 0.000 0.319 144 A C 0.952 178.528 177.584 -0.013 0.000 1.110 144 A CA -0.553 51.499 52.037 0.025 0.000 0.847 144 A CB 0.560 19.572 19.000 0.019 0.000 1.161 144 A HN 0.734 nan 8.150 nan 0.000 0.497 145 L N 0.069 121.274 121.223 -0.030 0.000 1.990 145 L HA -0.085 4.257 4.340 0.002 0.000 0.213 145 L C 0.439 177.258 176.870 -0.086 0.000 1.072 145 L CA 2.299 57.050 54.840 -0.148 0.000 0.755 145 L CB -0.168 41.769 42.059 -0.204 0.000 0.889 145 L HN 0.721 nan 8.230 nan 0.000 0.432 146 D N -1.129 119.264 120.400 -0.013 0.000 2.414 146 D HA 0.284 4.925 4.640 0.002 0.000 0.232 146 D C -2.017 174.286 176.300 0.004 0.000 1.070 146 D CA -2.201 51.804 54.000 0.008 0.000 0.839 146 D CB 1.650 42.478 40.800 0.047 0.000 1.079 146 D HN 0.138 nan 8.370 nan 0.000 0.521 147 P HA 0.168 nan 4.420 nan 0.000 0.272 147 P C 0.657 177.926 177.300 -0.053 0.000 1.276 147 P CA 0.120 63.207 63.100 -0.021 0.000 0.871 147 P CB 1.176 32.871 31.700 -0.008 0.000 1.313 148 E N 0.821 120.989 120.200 -0.054 0.000 2.017 148 E HA -0.117 4.234 4.350 0.002 0.000 0.193 148 E C 2.027 178.525 176.600 -0.170 0.000 0.997 148 E CA 1.420 57.773 56.400 -0.078 0.000 0.804 148 E CB -0.947 28.733 29.700 -0.035 0.000 0.757 148 E HN 0.240 nan 8.360 nan 0.000 0.448 149 I N 0.791 121.242 120.570 -0.198 0.000 2.252 149 I HA -0.219 3.952 4.170 0.002 0.000 0.245 149 I C 2.163 178.090 176.117 -0.316 0.000 1.102 149 I CA 1.128 62.227 61.300 -0.334 0.000 1.385 149 I CB -0.330 37.506 38.000 -0.274 0.000 1.064 149 I HN 0.104 nan 8.210 nan 0.000 0.414 150 E N 0.646 120.706 120.200 -0.234 0.000 2.153 150 E HA -0.268 4.083 4.350 0.002 0.000 0.194 150 E C 2.051 178.572 176.600 -0.132 0.000 0.988 150 E CA 1.051 57.343 56.400 -0.179 0.000 0.811 150 E CB -0.069 29.572 29.700 -0.099 0.000 0.746 150 E HN 0.489 nan 8.360 nan 0.000 0.466 151 E N 0.476 120.601 120.200 -0.124 0.000 2.077 151 E HA -0.169 4.182 4.350 0.002 0.000 0.193 151 E C 2.108 178.640 176.600 -0.112 0.000 0.989 151 E CA 1.009 57.352 56.400 -0.094 0.000 0.800 151 E CB 0.236 29.890 29.700 -0.076 0.000 0.746 151 E HN 0.035 nan 8.360 nan 0.000 0.452 152 V N 1.653 121.453 119.914 -0.190 0.000 2.261 152 V HA -0.274 3.847 4.120 0.002 0.000 0.246 152 V C 2.426 178.441 176.094 -0.131 0.000 1.047 152 V CA 1.329 63.508 62.300 -0.202 0.000 1.015 152 V CB -0.429 31.123 31.823 -0.452 0.000 0.642 152 V HN 0.373 nan 8.190 nan 0.000 0.446 153 I N 1.488 121.965 120.570 -0.155 0.000 2.194 153 I HA -0.234 3.937 4.170 0.002 0.000 0.246 153 I C 2.650 178.737 176.117 -0.051 0.000 1.093 153 I CA 2.420 63.668 61.300 -0.087 0.000 1.355 153 I CB -1.478 36.446 38.000 -0.128 0.000 1.046 153 I HN 0.566 nan 8.210 nan 0.000 0.413 154 S N -0.074 115.594 115.700 -0.053 0.000 2.436 154 S HA -0.049 4.422 4.470 0.002 0.000 0.228 154 S C 1.831 176.423 174.600 -0.013 0.000 1.014 154 S CA 0.486 58.674 58.200 -0.020 0.000 0.950 154 S CB -0.006 63.185 63.200 -0.015 0.000 0.784 154 S HN 0.463 nan 8.310 nan 0.000 0.504 155 K N 0.727 121.115 120.400 -0.020 0.000 2.387 155 K HA 0.281 4.602 4.320 0.002 0.000 0.197 155 K C 0.667 177.272 176.600 0.007 0.000 1.127 155 K CA 0.160 56.443 56.287 -0.008 0.000 0.950 155 K CB 0.349 32.842 32.500 -0.012 0.000 1.017 155 K HN 0.256 nan 8.250 nan 0.000 0.519 156 S N 1.294 117.000 115.700 0.010 0.000 2.549 156 S HA 0.073 4.544 4.470 0.002 0.000 0.283 156 S C 0.551 175.195 174.600 0.074 0.000 1.320 156 S CA -0.269 57.956 58.200 0.041 0.000 1.058 156 S CB 0.424 63.650 63.200 0.043 0.000 0.882 156 S HN 0.121 nan 8.310 nan 0.000 0.498 157 R N 2.813 123.379 120.500 0.110 0.000 2.652 157 R HA 0.238 4.579 4.340 0.002 0.000 0.372 157 R C -0.668 175.807 176.300 0.292 0.000 1.104 157 R CA -0.293 55.931 56.100 0.207 0.000 1.072 157 R CB -0.435 29.956 30.300 0.152 0.000 1.367 157 R HN 0.582 nan 8.270 nan 0.000 0.577 158 D N 1.472 121.984 120.400 0.186 0.000 2.412 158 D HA 0.006 4.648 4.640 0.002 0.000 0.224 158 D C 1.442 177.781 176.300 0.065 0.000 1.093 158 D CA -0.233 53.841 54.000 0.123 0.000 0.850 158 D CB 0.612 41.441 40.800 0.047 0.000 1.046 158 D HN 0.310 nan 8.370 nan 0.000 0.507 159 H N 2.950 122.095 119.070 0.126 0.000 2.421 159 H HA -0.053 4.504 4.556 0.002 0.000 0.298 159 H C 0.569 175.936 175.328 0.065 0.000 1.087 159 H CA 0.894 56.930 56.048 -0.020 0.000 1.330 159 H CB 0.238 29.903 29.762 -0.162 0.000 1.388 159 H HN 0.487 nan 8.280 nan 0.000 0.526 160 E N 0.898 120.847 120.200 -0.418 0.000 2.107 160 E HA -0.131 4.220 4.350 0.002 0.000 0.191 160 E C 2.203 178.653 176.600 -0.249 0.000 0.982 160 E CA 0.630 56.898 56.400 -0.221 0.000 0.809 160 E CB 0.089 29.665 29.700 -0.207 0.000 0.756 160 E HN 0.673 nan 8.360 nan 0.000 0.459 161 E N 1.328 121.296 120.200 -0.387 0.000 2.051 161 E HA -0.191 4.161 4.350 0.002 0.000 0.192 161 E C 2.241 178.756 176.600 -0.143 0.000 0.991 161 E CA 0.731 56.709 56.400 -0.702 0.000 0.799 161 E CB -0.033 29.423 29.700 -0.407 0.000 0.748 161 E HN 0.145 nan 8.360 nan 0.000 0.449 162 L N 0.550 121.797 121.223 0.041 0.000 2.013 162 L HA -0.224 4.117 4.340 0.002 0.000 0.212 162 L C 2.702 179.721 176.870 0.249 0.000 1.073 162 L CA 1.388 56.342 54.840 0.191 0.000 0.753 162 L CB -0.507 41.639 42.059 0.145 0.000 0.890 162 L HN 0.244 nan 8.230 nan 0.000 0.432 163 A N -1.004 121.921 122.820 0.176 0.000 1.930 163 A HA -0.267 4.055 4.320 0.002 0.000 0.217 163 A C 2.187 179.800 177.584 0.049 0.000 1.175 163 A CA 1.447 53.455 52.037 -0.048 0.000 0.627 163 A CB -0.836 18.022 19.000 -0.238 0.000 0.815 163 A HN 0.511 nan 8.150 nan 0.000 0.443 164 Y N -0.802 119.437 120.300 -0.102 0.000 2.145 164 Y HA -0.280 4.271 4.550 0.002 0.000 0.286 164 Y C 2.103 177.960 175.900 -0.072 0.000 1.145 164 Y CA 2.080 60.097 58.100 -0.137 0.000 1.148 164 Y CB -0.567 37.694 38.460 -0.332 0.000 0.981 164 Y HN 0.346 nan 8.280 nan 0.000 0.507 165 Y N -1.607 118.666 120.300 -0.045 0.000 2.293 165 Y HA -0.206 4.345 4.550 0.002 0.000 0.291 165 Y C 2.341 178.253 175.900 0.021 0.000 1.137 165 Y CA 1.510 59.556 58.100 -0.091 0.000 1.202 165 Y CB -1.111 37.367 38.460 0.030 0.000 0.990 165 Y HN 0.378 nan 8.280 nan 0.000 0.537 166 W N 1.002 122.348 121.300 0.077 0.000 2.333 166 W HA -0.234 4.427 4.660 0.002 0.000 0.316 166 W C 2.790 179.379 176.519 0.117 0.000 1.215 166 W CA 2.329 59.737 57.345 0.104 0.000 1.278 166 W CB -0.278 29.154 29.460 -0.047 0.000 1.154 166 W HN -0.146 nan 8.180 nan 0.000 0.486 167 R N 0.290 121.038 120.500 0.413 0.000 2.073 167 R HA -0.187 4.155 4.340 0.002 0.000 0.234 167 R C 2.114 178.438 176.300 0.039 0.000 1.134 167 R CA 1.835 58.095 56.100 0.268 0.000 0.952 167 R CB -0.467 29.926 30.300 0.155 0.000 0.850 167 R HN 0.123 nan 8.270 nan 0.000 0.433 168 E N 0.054 120.188 120.200 -0.110 0.000 2.051 168 E HA -0.215 4.136 4.350 0.002 0.000 0.192 168 E C 1.709 178.286 176.600 -0.039 0.000 0.991 168 E CA 1.113 57.423 56.400 -0.150 0.000 0.799 168 E CB -0.465 29.017 29.700 -0.363 0.000 0.748 168 E HN 0.299 nan 8.360 nan 0.000 0.449 169 F N 0.588 120.465 119.950 -0.121 0.000 2.075 169 F HA -0.238 4.290 4.527 0.002 0.000 0.297 169 F C 2.199 177.882 175.800 -0.196 0.000 1.113 169 F CA 1.365 59.269 58.000 -0.159 0.000 1.218 169 F CB -0.548 38.332 39.000 -0.200 0.000 0.984 169 F HN -0.027 nan 8.300 nan 0.000 0.472 170 Y N 0.832 120.895 120.300 -0.395 0.000 2.224 170 Y HA -0.225 4.326 4.550 0.002 0.000 0.289 170 Y C 2.381 178.098 175.900 -0.304 0.000 1.146 170 Y CA 1.746 59.567 58.100 -0.466 0.000 1.182 170 Y CB -0.863 37.166 38.460 -0.719 0.000 0.983 170 Y HN 0.083 nan 8.280 nan 0.000 0.524 171 D N -0.192 120.173 120.400 -0.059 0.000 2.144 171 D HA -0.142 4.499 4.640 0.002 0.000 0.199 171 D C 1.854 178.096 176.300 -0.097 0.000 0.984 171 D CA 1.459 55.438 54.000 -0.035 0.000 0.834 171 D CB -0.127 40.669 40.800 -0.006 0.000 0.955 171 D HN 0.349 nan 8.370 nan 0.000 0.465 172 K N -0.073 120.210 120.400 -0.194 0.000 2.166 172 K HA 0.198 4.519 4.320 0.002 0.000 0.201 172 K C 1.938 178.363 176.600 -0.291 0.000 1.052 172 K CA 0.738 56.902 56.287 -0.205 0.000 0.969 172 K CB 0.268 32.654 32.500 -0.191 0.000 0.761 172 K HN -0.012 nan 8.250 nan 0.000 0.459 173 A N 0.730 123.219 122.820 -0.551 0.000 2.030 173 A HA 0.140 4.461 4.320 0.002 0.000 0.215 173 A C 1.967 179.387 177.584 -0.273 0.000 1.164 173 A CA 1.200 52.910 52.037 -0.544 0.000 0.697 173 A CB -0.208 18.074 19.000 -1.196 0.000 0.827 173 A HN 0.352 nan 8.150 nan 0.000 0.457 174 G N -1.204 107.433 108.800 -0.272 0.000 2.765 174 G HA2 0.110 4.071 3.960 0.002 0.000 0.218 174 G HA3 0.110 4.071 3.960 0.002 0.000 0.218 174 G C 1.410 176.323 174.900 0.022 0.000 1.271 174 G CA 1.131 46.139 45.100 -0.154 0.000 0.865 174 G HN 0.275 nan 8.290 nan 0.000 0.604 175 T N 2.285 116.872 114.554 0.055 0.000 2.737 175 T HA -0.089 4.263 4.350 0.002 0.000 0.269 175 T C 2.640 177.404 174.700 0.108 0.000 1.040 175 T CA 1.645 63.831 62.100 0.143 0.000 1.142 175 T CB -0.389 68.547 68.868 0.113 0.000 0.861 175 T HN 0.367 nan 8.240 nan 0.000 0.456 176 A N 1.164 124.013 122.820 0.047 0.000 2.070 176 A HA 0.011 4.332 4.320 0.002 0.000 0.220 176 A C 2.191 179.812 177.584 0.062 0.000 1.159 176 A CA 1.474 53.533 52.037 0.037 0.000 0.656 176 A CB -0.588 18.413 19.000 0.001 0.000 0.800 176 A HN 0.578 nan 8.150 nan 0.000 0.453 177 V N -3.638 116.336 119.914 0.101 0.000 3.121 177 V HA 0.293 4.414 4.120 0.002 0.000 0.344 177 V C 1.505 177.706 176.094 0.178 0.000 1.390 177 V CA 0.375 62.755 62.300 0.133 0.000 1.177 177 V CB -0.573 31.338 31.823 0.146 0.000 1.163 177 V HN 0.508 nan 8.190 nan 0.000 0.484 178 R N 2.287 122.855 120.500 0.112 0.000 2.094 178 R HA -0.194 4.147 4.340 0.002 0.000 0.239 178 R C 2.472 178.748 176.300 -0.040 0.000 1.137 178 R CA 2.577 58.618 56.100 -0.098 0.000 0.943 178 R CB -0.443 29.729 30.300 -0.214 0.000 0.850 178 R HN 0.781 nan 8.270 nan 0.000 0.433 179 S N 0.053 115.749 115.700 -0.006 0.000 2.368 179 S HA -0.194 4.278 4.470 0.002 0.000 0.225 179 S C 1.920 176.557 174.600 0.062 0.000 1.030 179 S CA 1.252 59.453 58.200 0.002 0.000 0.999 179 S CB -0.271 62.926 63.200 -0.005 0.000 0.844 179 S HN 0.403 nan 8.310 nan 0.000 0.459 180 Q N 0.361 120.221 119.800 0.101 0.000 2.084 180 Q HA 0.117 4.458 4.340 0.002 0.000 0.202 180 Q C 1.815 177.940 176.000 0.208 0.000 0.978 180 Q CA 1.606 57.483 55.803 0.123 0.000 0.844 180 Q CB -0.643 28.163 28.738 0.113 0.000 0.898 180 Q HN 0.656 nan 8.270 nan 0.000 0.426 181 F N 1.433 121.473 119.950 0.151 0.000 2.134 181 F HA -0.196 4.332 4.527 0.002 0.000 0.299 181 F C 1.822 177.841 175.800 0.366 0.000 1.097 181 F CA 1.483 59.665 58.000 0.303 0.000 1.264 181 F CB 0.065 39.291 39.000 0.376 0.000 1.001 181 F HN 0.099 nan 8.300 nan 0.000 0.479 182 E N -0.489 119.923 120.200 0.353 0.000 2.085 182 E HA -0.291 4.060 4.350 0.002 0.000 0.194 182 E C 2.213 178.882 176.600 0.115 0.000 0.994 182 E CA 1.272 57.819 56.400 0.246 0.000 0.801 182 E CB -0.214 29.491 29.700 0.008 0.000 0.743 182 E HN 0.147 nan 8.360 nan 0.000 0.453 183 R N 0.418 120.963 120.500 0.073 0.000 2.115 183 R HA -0.156 4.185 4.340 0.002 0.000 0.226 183 R C 2.105 178.407 176.300 0.004 0.000 1.100 183 R CA 1.198 57.313 56.100 0.024 0.000 0.980 183 R CB -0.699 29.612 30.300 0.019 0.000 0.875 183 R HN 0.306 nan 8.270 nan 0.000 0.445 184 Y N -0.188 120.041 120.300 -0.117 0.000 2.145 184 Y HA -0.151 4.400 4.550 0.002 0.000 0.286 184 Y C 1.739 177.524 175.900 -0.193 0.000 1.145 184 Y CA 1.796 59.778 58.100 -0.196 0.000 1.148 184 Y CB -0.575 37.733 38.460 -0.253 0.000 0.981 184 Y HN -0.120 nan 8.280 nan 0.000 0.507 185 V N 1.183 120.792 119.914 -0.508 0.000 2.287 185 V HA -0.323 3.798 4.120 0.002 0.000 0.248 185 V C 2.307 178.266 176.094 -0.225 0.000 1.053 185 V CA 2.373 64.434 62.300 -0.398 0.000 1.027 185 V CB -0.743 31.048 31.823 -0.054 0.000 0.646 185 V HN 0.460 nan 8.190 nan 0.000 0.447 186 E N -0.123 120.012 120.200 -0.109 0.000 2.058 186 E HA -0.220 4.132 4.350 0.002 0.000 0.194 186 E C 2.197 178.715 176.600 -0.137 0.000 0.997 186 E CA 1.504 57.855 56.400 -0.081 0.000 0.801 186 E CB -0.204 29.471 29.700 -0.041 0.000 0.746 186 E HN 0.507 nan 8.360 nan 0.000 0.450 187 L N 1.096 122.213 121.223 -0.177 0.000 2.179 187 L HA -0.125 4.216 4.340 0.002 0.000 0.208 187 L C 2.462 179.172 176.870 -0.266 0.000 1.096 187 L CA 0.479 55.206 54.840 -0.188 0.000 0.779 187 L CB -0.453 41.499 42.059 -0.178 0.000 0.922 187 L HN 0.217 nan 8.230 nan 0.000 0.443 188 N N 0.124 118.575 118.700 -0.414 0.000 2.069 188 N HA -0.188 4.553 4.740 0.002 0.000 0.191 188 N C 1.623 176.906 175.510 -0.379 0.000 1.031 188 N CA 2.229 54.999 53.050 -0.467 0.000 0.852 188 N CB 0.005 37.979 38.487 -0.856 0.000 1.018 188 N HN 0.231 nan 8.380 nan 0.000 0.423 189 T N 1.055 115.400 114.554 -0.348 0.000 2.746 189 T HA -0.119 4.232 4.350 0.002 0.000 0.267 189 T C 1.914 176.539 174.700 -0.125 0.000 1.039 189 T CA 1.224 63.188 62.100 -0.226 0.000 1.142 189 T CB -0.133 68.654 68.868 -0.134 0.000 0.866 189 T HN 0.365 nan 8.240 nan 0.000 0.444 190 K N 1.086 121.424 120.400 -0.103 0.000 2.057 190 K HA -0.057 4.264 4.320 0.002 0.000 0.207 190 K C 2.506 179.091 176.600 -0.025 0.000 1.049 190 K CA 1.241 57.495 56.287 -0.054 0.000 0.931 190 K CB -0.326 32.145 32.500 -0.049 0.000 0.714 190 K HN 0.284 nan 8.250 nan 0.000 0.440 191 A N 1.061 123.871 122.820 -0.018 0.000 1.877 191 A HA -0.110 4.211 4.320 0.002 0.000 0.216 191 A C 2.351 179.976 177.584 0.068 0.000 1.186 191 A CA 1.900 53.977 52.037 0.066 0.000 0.620 191 A CB -0.921 18.198 19.000 0.198 0.000 0.822 191 A HN 0.485 nan 8.150 nan 0.000 0.443 192 A N -0.144 122.685 122.820 0.016 0.000 1.908 192 A HA -0.207 4.114 4.320 0.002 0.000 0.218 192 A C 2.118 179.766 177.584 0.106 0.000 1.181 192 A CA 1.944 54.017 52.037 0.061 0.000 0.627 192 A CB -0.468 18.485 19.000 -0.079 0.000 0.818 192 A HN 0.557 nan 8.150 nan 0.000 0.445 193 K N -0.576 119.842 120.400 0.029 0.000 2.148 193 K HA 0.062 4.383 4.320 0.002 0.000 0.204 193 K C 1.706 178.306 176.600 -0.001 0.000 1.050 193 K CA 0.991 57.286 56.287 0.012 0.000 0.942 193 K CB -0.297 32.199 32.500 -0.007 0.000 0.724 193 K HN 0.456 nan 8.250 nan 0.000 0.446 194 L N 1.239 122.468 121.223 0.009 0.000 2.275 194 L HA -0.131 4.211 4.340 0.002 0.000 0.215 194 L C 1.410 178.275 176.870 -0.009 0.000 1.119 194 L CA 0.743 55.584 54.840 0.001 0.000 0.790 194 L CB -0.197 41.870 42.059 0.012 0.000 0.919 194 L HN 0.223 nan 8.230 nan 0.000 0.443 195 N N 0.098 118.806 118.700 0.012 0.000 2.336 195 N HA -0.026 4.716 4.740 0.002 0.000 0.189 195 N C -0.008 175.355 175.510 -0.246 0.000 1.113 195 N CA 0.118 53.143 53.050 -0.042 0.000 0.858 195 N CB 0.249 38.814 38.487 0.130 0.000 0.970 195 N HN 0.212 nan 8.380 nan 0.000 0.471 196 N N 0.027 118.631 118.700 -0.160 0.000 2.782 196 N HA -0.180 4.561 4.740 0.002 0.000 0.251 196 N C -0.860 174.483 175.510 -0.278 0.000 1.101 196 N CA 0.712 53.642 53.050 -0.200 0.000 0.764 196 N CB -1.769 36.595 38.487 -0.205 0.000 1.122 196 N HN 0.196 nan 8.380 nan 0.000 0.561 197 F N 0.146 120.074 119.950 -0.037 0.000 2.371 197 F HA 0.253 4.781 4.527 0.002 0.000 0.329 197 F C 2.339 178.105 175.800 -0.057 0.000 1.107 197 F CA -0.274 57.697 58.000 -0.048 0.000 1.137 197 F CB 0.546 39.506 39.000 -0.066 0.000 1.214 197 F HN -0.190 nan 8.300 nan 0.000 0.536 198 T N -0.244 114.401 114.554 0.152 0.000 2.788 198 T HA -0.045 4.306 4.350 0.002 0.000 0.268 198 T C 0.526 175.240 174.700 0.024 0.000 1.044 198 T CA 1.567 63.702 62.100 0.058 0.000 1.139 198 T CB -0.215 68.676 68.868 0.038 0.000 0.867 198 T HN 0.642 nan 8.240 nan 0.000 0.454 199 S N -1.440 114.260 115.700 -0.001 0.000 2.661 199 S HA 0.558 5.029 4.470 0.002 0.000 0.268 199 S C 1.167 175.624 174.600 -0.238 0.000 1.162 199 S CA -0.244 57.899 58.200 -0.095 0.000 0.817 199 S CB 1.041 64.215 63.200 -0.043 0.000 1.141 199 S HN 0.102 nan 8.310 nan 0.000 0.477 200 G N 0.401 108.900 108.800 -0.501 0.000 2.470 200 G HA2 0.154 4.116 3.960 0.002 0.000 0.220 200 G HA3 0.154 4.116 3.960 0.002 0.000 0.220 200 G C 1.411 175.925 174.900 -0.642 0.000 1.121 200 G CA 1.045 45.614 45.100 -0.884 0.000 0.766 200 G HN 1.278 nan 8.290 nan 0.000 0.553 201 A N 1.077 123.776 122.820 -0.203 0.000 1.877 201 A HA -0.021 4.300 4.320 0.002 0.000 0.216 201 A C 2.213 179.636 177.584 -0.268 0.000 1.186 201 A CA 2.087 54.035 52.037 -0.149 0.000 0.620 201 A CB -0.343 18.507 19.000 -0.251 0.000 0.822 201 A HN 0.324 nan 8.150 nan 0.000 0.443 202 E N 0.036 120.079 120.200 -0.262 0.000 2.106 202 E HA 0.023 4.374 4.350 0.002 0.000 0.192 202 E C 2.209 178.471 176.600 -0.565 0.000 0.984 202 E CA 1.205 57.460 56.400 -0.242 0.000 0.806 202 E CB -0.499 29.184 29.700 -0.028 0.000 0.750 202 E HN 0.571 nan 8.360 nan 0.000 0.458 203 A N 0.443 122.777 122.820 -0.810 0.000 1.883 203 A HA -0.194 4.128 4.320 0.002 0.000 0.217 203 A C 1.760 179.096 177.584 -0.413 0.000 1.186 203 A CA 1.414 52.787 52.037 -1.106 0.000 0.624 203 A CB -0.955 17.622 19.000 -0.705 0.000 0.822 203 A HN 0.319 nan 8.150 nan 0.000 0.444 204 W N -0.110 121.032 121.300 -0.265 0.000 2.358 204 W HA -0.023 4.638 4.660 0.002 0.000 0.303 204 W C 2.080 178.589 176.519 -0.015 0.000 1.208 204 W CA 0.765 58.074 57.345 -0.061 0.000 1.274 204 W CB -1.268 28.309 29.460 0.196 0.000 1.138 204 W HN 0.264 nan 8.180 nan 0.000 0.515 205 L N -0.082 121.273 121.223 0.219 0.000 2.275 205 L HA -0.193 4.149 4.340 0.002 0.000 0.215 205 L C 1.995 178.939 176.870 0.124 0.000 1.119 205 L CA 1.493 56.476 54.840 0.239 0.000 0.790 205 L CB -0.788 41.310 42.059 0.065 0.000 0.919 205 L HN -0.099 nan 8.230 nan 0.000 0.443 206 D N 0.164 120.543 120.400 -0.036 0.000 2.182 206 D HA -0.218 4.423 4.640 0.002 0.000 0.201 206 D C 1.988 178.254 176.300 -0.056 0.000 0.986 206 D CA 0.940 54.931 54.000 -0.016 0.000 0.847 206 D CB 0.184 40.948 40.800 -0.060 0.000 0.942 206 D HN 0.196 nan 8.370 nan 0.000 0.467 207 E N -0.693 119.398 120.200 -0.182 0.000 2.333 207 E HA -0.181 4.170 4.350 0.002 0.000 0.198 207 E C 1.145 177.442 176.600 -0.505 0.000 1.007 207 E CA 0.677 56.856 56.400 -0.368 0.000 0.845 207 E CB -0.257 29.121 29.700 -0.537 0.000 0.766 207 E HN 0.629 nan 8.360 nan 0.000 0.507 208 Y N 0.508 120.681 120.300 -0.211 0.000 2.466 208 Y HA 0.124 4.675 4.550 0.002 0.000 0.272 208 Y C 0.340 176.226 175.900 -0.023 0.000 1.169 208 Y CA -0.142 57.733 58.100 -0.376 0.000 1.285 208 Y CB 0.063 37.793 38.460 -1.217 0.000 1.078 208 Y HN -0.059 nan 8.280 nan 0.000 0.523 209 E N 1.529 121.792 120.200 0.106 0.000 2.238 209 E HA -0.266 4.085 4.350 0.002 0.000 0.219 209 E C -0.903 175.794 176.600 0.162 0.000 1.275 209 E CA 0.857 57.330 56.400 0.122 0.000 0.714 209 E CB -1.016 28.735 29.700 0.086 0.000 1.154 209 E HN 0.312 nan 8.360 nan 0.000 0.363 210 D N 0.118 120.637 120.400 0.197 0.000 2.548 210 D HA 0.024 4.665 4.640 0.002 0.000 0.214 210 D C 0.106 176.554 176.300 0.248 0.000 1.345 210 D CA -0.414 53.737 54.000 0.251 0.000 0.945 210 D CB 0.848 41.914 40.800 0.443 0.000 1.499 210 D HN 0.022 nan 8.370 nan 0.000 0.579 211 D N 1.199 121.706 120.400 0.180 0.000 2.371 211 D HA -0.106 4.536 4.640 0.002 0.000 0.221 211 D C 1.216 177.610 176.300 0.157 0.000 0.986 211 D CA 0.723 54.813 54.000 0.150 0.000 0.899 211 D CB -0.237 40.627 40.800 0.106 0.000 0.902 211 D HN 0.333 nan 8.370 nan 0.000 0.530 212 T N -4.303 110.368 114.554 0.195 0.000 3.174 212 T HA 0.171 4.522 4.350 0.002 0.000 0.269 212 T C 1.149 175.975 174.700 0.210 0.000 1.017 212 T CA -0.708 61.495 62.100 0.170 0.000 0.899 212 T CB -0.804 68.147 68.868 0.137 0.000 1.077 212 T HN -0.055 nan 8.240 nan 0.000 0.552 213 F N 2.690 122.703 119.950 0.105 0.000 2.134 213 F HA 0.033 4.562 4.527 0.002 0.000 0.299 213 F C 2.116 177.951 175.800 0.057 0.000 1.097 213 F CA 1.459 59.513 58.000 0.089 0.000 1.264 213 F CB -0.109 38.941 39.000 0.083 0.000 1.001 213 F HN 0.247 nan 8.300 nan 0.000 0.479 214 E N -0.712 119.576 120.200 0.146 0.000 2.058 214 E HA -0.309 4.042 4.350 0.002 0.000 0.194 214 E C 2.113 178.781 176.600 0.114 0.000 0.997 214 E CA 1.415 57.894 56.400 0.131 0.000 0.801 214 E CB -0.300 29.460 29.700 0.101 0.000 0.746 214 E HN 0.282 nan 8.360 nan 0.000 0.450 215 Q N 0.998 120.853 119.800 0.091 0.000 2.124 215 Q HA -0.192 4.149 4.340 0.002 0.000 0.202 215 Q C 1.901 177.931 176.000 0.050 0.000 0.977 215 Q CA 1.611 57.467 55.803 0.088 0.000 0.850 215 Q CB -0.031 28.755 28.738 0.081 0.000 0.901 215 Q HN 0.295 nan 8.270 nan 0.000 0.429 216 Q N -0.621 119.169 119.800 -0.017 0.000 2.061 216 Q HA -0.151 4.190 4.340 0.002 0.000 0.204 216 Q C 2.109 178.029 176.000 -0.133 0.000 0.984 216 Q CA 1.565 57.321 55.803 -0.078 0.000 0.846 216 Q CB -0.145 28.508 28.738 -0.142 0.000 0.902 216 Q HN 0.392 nan 8.270 nan 0.000 0.421 217 L N 0.550 121.631 121.223 -0.236 0.000 2.056 217 L HA -0.185 4.156 4.340 0.002 0.000 0.207 217 L C 2.386 179.267 176.870 0.019 0.000 1.078 217 L CA 0.829 55.511 54.840 -0.264 0.000 0.749 217 L CB -0.402 41.358 42.059 -0.499 0.000 0.901 217 L HN 0.191 nan 8.230 nan 0.000 0.433 218 E N 0.335 120.675 120.200 0.233 0.000 2.070 218 E HA -0.241 4.110 4.350 0.002 0.000 0.197 218 E C 1.774 178.536 176.600 0.271 0.000 1.004 218 E CA 1.540 58.167 56.400 0.379 0.000 0.805 218 E CB -0.324 29.549 29.700 0.288 0.000 0.744 218 E HN 0.510 nan 8.360 nan 0.000 0.451 219 D N 0.533 121.021 120.400 0.147 0.000 2.097 219 D HA -0.099 4.542 4.640 0.002 0.000 0.195 219 D C 2.183 178.531 176.300 0.081 0.000 0.989 219 D CA 0.684 54.743 54.000 0.099 0.000 0.827 219 D CB -0.348 40.489 40.800 0.061 0.000 0.966 219 D HN 0.191 nan 8.370 nan 0.000 0.456 220 I N 0.085 120.689 120.570 0.056 0.000 2.226 220 I HA -0.242 3.930 4.170 0.002 0.000 0.245 220 I C 2.208 178.370 176.117 0.074 0.000 1.100 220 I CA 0.629 61.947 61.300 0.031 0.000 1.374 220 I CB -0.183 37.802 38.000 -0.025 0.000 1.057 220 I HN -0.101 nan 8.210 nan 0.000 0.413 221 F N 1.869 121.819 119.950 -0.001 0.000 2.126 221 F HA -0.248 4.281 4.527 0.002 0.000 0.299 221 F C 2.449 178.306 175.800 0.095 0.000 1.096 221 F CA 1.378 59.415 58.000 0.061 0.000 1.255 221 F CB -0.393 38.726 39.000 0.198 0.000 0.997 221 F HN 0.013 nan 8.300 nan 0.000 0.479 222 A N -0.138 122.715 122.820 0.055 0.000 1.972 222 A HA -0.200 4.122 4.320 0.002 0.000 0.219 222 A C 1.935 179.455 177.584 -0.107 0.000 1.169 222 A CA 1.989 53.996 52.037 -0.049 0.000 0.635 222 A CB -0.922 18.115 19.000 0.062 0.000 0.810 222 A HN 0.447 nan 8.150 nan 0.000 0.446 223 D N -0.181 120.180 120.400 -0.065 0.000 2.183 223 D HA -0.073 4.568 4.640 0.002 0.000 0.203 223 D C 1.619 177.867 176.300 -0.087 0.000 0.969 223 D CA 0.875 54.842 54.000 -0.055 0.000 0.842 223 D CB -0.093 40.696 40.800 -0.019 0.000 0.957 223 D HN 0.409 nan 8.370 nan 0.000 0.484 224 I N 0.028 120.511 120.570 -0.145 0.000 3.427 224 I HA 0.056 4.227 4.170 0.002 0.000 0.288 224 I C 2.230 178.230 176.117 -0.194 0.000 1.249 224 I CA 0.153 61.369 61.300 -0.141 0.000 1.421 224 I CB -0.637 37.296 38.000 -0.112 0.000 1.086 224 I HN -0.062 nan 8.210 nan 0.000 0.448 225 R N 1.773 122.050 120.500 -0.372 0.000 2.103 225 R HA -0.160 4.181 4.340 0.002 0.000 0.242 225 R C -0.486 175.767 176.300 -0.079 0.000 1.142 225 R CA 1.941 57.829 56.100 -0.354 0.000 0.960 225 R CB -0.916 29.072 30.300 -0.521 0.000 0.858 225 R HN 0.205 nan 8.270 nan 0.000 0.439 226 P HA -0.153 nan 4.420 nan 0.000 0.217 226 P C 1.144 178.447 177.300 0.005 0.000 1.150 226 P CA 0.830 63.911 63.100 -0.032 0.000 0.832 226 P CB -0.055 31.621 31.700 -0.040 0.000 0.787 227 L N -1.386 119.841 121.223 0.006 0.000 2.046 227 L HA -0.165 4.176 4.340 0.002 0.000 0.208 227 L C 2.351 179.253 176.870 0.053 0.000 1.077 227 L CA 1.772 56.626 54.840 0.023 0.000 0.747 227 L CB -1.615 40.442 42.059 -0.003 0.000 0.896 227 L HN -0.083 nan 8.230 nan 0.000 0.432 228 Y N 0.125 120.404 120.300 -0.036 0.000 2.165 228 Y HA -0.272 4.280 4.550 0.002 0.000 0.286 228 Y C 2.491 178.487 175.900 0.160 0.000 1.155 228 Y CA 2.019 60.133 58.100 0.023 0.000 1.164 228 Y CB -0.265 38.210 38.460 0.025 0.000 0.978 228 Y HN 0.354 nan 8.280 nan 0.000 0.513 229 Q N 0.025 119.849 119.800 0.041 0.000 2.135 229 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 229 Q C 2.049 178.093 176.000 0.074 0.000 0.981 229 Q CA 1.618 57.450 55.803 0.048 0.000 0.856 229 Q CB -0.426 28.331 28.738 0.032 0.000 0.902 229 Q HN 0.619 nan 8.270 nan 0.000 0.425 230 Q N 0.185 120.022 119.800 0.062 0.000 2.079 230 Q HA -0.020 4.321 4.340 0.002 0.000 0.200 230 Q C 2.309 178.425 176.000 0.193 0.000 0.974 230 Q CA 0.809 56.675 55.803 0.105 0.000 0.840 230 Q CB -0.169 28.615 28.738 0.076 0.000 0.898 230 Q HN 0.450 nan 8.270 nan 0.000 0.430 231 I N 0.392 121.051 120.570 0.147 0.000 2.202 231 I HA -0.271 3.900 4.170 0.002 0.000 0.242 231 I C 2.659 178.962 176.117 0.310 0.000 1.091 231 I CA 1.145 62.582 61.300 0.229 0.000 1.368 231 I CB -0.536 37.467 38.000 0.005 0.000 1.058 231 I HN 0.294 nan 8.210 nan 0.000 0.410 232 H N 1.452 120.526 119.070 0.008 0.000 2.289 232 H HA -0.174 4.384 4.556 0.002 0.000 0.296 232 H C 2.157 177.607 175.328 0.203 0.000 1.091 232 H CA 2.213 58.328 56.048 0.111 0.000 1.274 232 H CB -0.397 29.280 29.762 -0.141 0.000 1.364 232 H HN 0.334 nan 8.280 nan 0.000 0.490 233 G N -0.590 108.449 108.800 0.398 0.000 2.446 233 G HA2 -0.334 3.627 3.960 0.002 0.000 0.217 233 G HA3 -0.334 3.627 3.960 0.002 0.000 0.217 233 G C 1.829 176.903 174.900 0.290 0.000 1.168 233 G CA 0.898 46.198 45.100 0.333 0.000 0.771 233 G HN 0.563 nan 8.290 nan 0.000 0.551 234 Y N 0.796 121.230 120.300 0.223 0.000 2.200 234 Y HA -0.090 4.461 4.550 0.002 0.000 0.290 234 Y C 2.914 179.007 175.900 0.323 0.000 1.137 234 Y CA 1.494 59.758 58.100 0.274 0.000 1.163 234 Y CB -0.117 38.510 38.460 0.278 0.000 0.988 234 Y HN 0.042 nan 8.280 nan 0.000 0.518 235 V N 0.896 121.031 119.914 0.368 0.000 2.343 235 V HA -0.337 3.784 4.120 0.002 0.000 0.247 235 V C 2.493 178.563 176.094 -0.040 0.000 1.051 235 V CA 2.341 64.758 62.300 0.194 0.000 1.036 235 V CB -0.722 31.255 31.823 0.256 0.000 0.654 235 V HN 0.378 nan 8.190 nan 0.000 0.451 236 R N -0.525 119.931 120.500 -0.072 0.000 2.083 236 R HA -0.228 4.114 4.340 0.002 0.000 0.237 236 R C 2.300 178.586 176.300 -0.023 0.000 1.137 236 R CA 2.210 58.248 56.100 -0.103 0.000 0.951 236 R CB -0.498 29.754 30.300 -0.080 0.000 0.851 236 R HN 0.482 nan 8.270 nan 0.000 0.434 237 F N 1.632 121.511 119.950 -0.120 0.000 2.065 237 F HA -0.217 4.311 4.527 0.002 0.000 0.298 237 F C 2.084 177.766 175.800 -0.196 0.000 1.112 237 F CA 1.611 59.521 58.000 -0.150 0.000 1.212 237 F CB -0.165 38.722 39.000 -0.188 0.000 0.975 237 F HN -0.062 nan 8.300 nan 0.000 0.476 238 R N 0.626 120.818 120.500 -0.513 0.000 2.115 238 R HA -0.039 4.302 4.340 0.002 0.000 0.230 238 R C 2.393 178.509 176.300 -0.307 0.000 1.111 238 R CA 1.248 57.012 56.100 -0.559 0.000 0.976 238 R CB -1.146 28.916 30.300 -0.397 0.000 0.870 238 R HN 0.417 nan 8.270 nan 0.000 0.445 239 L N 0.164 121.276 121.223 -0.184 0.000 2.141 239 L HA -0.100 4.241 4.340 0.002 0.000 0.209 239 L C 2.582 179.446 176.870 -0.011 0.000 1.094 239 L CA 1.143 55.953 54.840 -0.050 0.000 0.763 239 L CB -0.287 41.735 42.059 -0.062 0.000 0.908 239 L HN 0.115 nan 8.230 nan 0.000 0.437 240 R N 0.206 120.640 120.500 -0.110 0.000 2.081 240 R HA -0.171 4.171 4.340 0.002 0.000 0.235 240 R C 2.255 178.475 176.300 -0.135 0.000 1.131 240 R CA 1.317 57.357 56.100 -0.100 0.000 0.960 240 R CB -0.169 30.070 30.300 -0.102 0.000 0.856 240 R HN 0.304 nan 8.270 nan 0.000 0.436 241 K N -1.057 119.198 120.400 -0.242 0.000 2.148 241 K HA -0.181 4.140 4.320 0.002 0.000 0.204 241 K C 1.888 178.386 176.600 -0.171 0.000 1.050 241 K CA 1.388 57.532 56.287 -0.238 0.000 0.942 241 K CB -0.127 32.159 32.500 -0.356 0.000 0.724 241 K HN 0.285 nan 8.250 nan 0.000 0.446 242 H N -1.101 117.821 119.070 -0.248 0.000 2.329 242 H HA -0.032 4.525 4.556 0.002 0.000 0.306 242 H C 1.175 176.285 175.328 -0.364 0.000 1.062 242 H CA 1.587 57.435 56.048 -0.332 0.000 1.364 242 H CB 0.226 29.725 29.762 -0.440 0.000 1.409 242 H HN 0.122 nan 8.280 nan 0.000 0.519 243 Y N -0.208 120.070 120.300 -0.036 0.000 2.510 243 Y HA 0.274 4.825 4.550 0.002 0.000 0.273 243 Y C 1.240 177.046 175.900 -0.158 0.000 1.119 243 Y CA 0.589 58.627 58.100 -0.102 0.000 1.286 243 Y CB 0.588 38.977 38.460 -0.119 0.000 1.061 243 Y HN 0.484 nan 8.280 nan 0.000 0.542 244 G N 0.464 109.255 108.800 -0.015 0.000 2.730 244 G HA2 -0.250 3.711 3.960 0.002 0.000 0.686 244 G HA3 -0.250 3.711 3.960 0.002 0.000 0.686 244 G C -0.369 174.498 174.900 -0.054 0.000 1.343 244 G CA -0.226 44.843 45.100 -0.052 0.000 0.826 244 G HN 0.225 nan 8.290 nan 0.000 0.582 245 D N 0.355 120.721 120.400 -0.056 0.000 2.348 245 D HA 0.272 4.913 4.640 0.002 0.000 0.216 245 D C 2.530 178.791 176.300 -0.065 0.000 0.970 245 D CA 1.689 55.656 54.000 -0.056 0.000 0.889 245 D CB 0.011 40.785 40.800 -0.043 0.000 0.912 245 D HN 0.863 nan 8.370 nan 0.000 0.524 246 A N -0.075 122.702 122.820 -0.072 0.000 2.015 246 A HA -0.070 4.251 4.320 0.002 0.000 0.219 246 A C 2.108 179.620 177.584 -0.120 0.000 1.163 246 A CA 0.896 52.885 52.037 -0.080 0.000 0.646 246 A CB -0.117 18.844 19.000 -0.066 0.000 0.806 246 A HN 0.179 nan 8.150 nan 0.000 0.448 247 V N -1.212 118.604 119.914 -0.163 0.000 2.795 247 V HA 0.067 4.189 4.120 0.002 0.000 0.243 247 V C 0.357 176.337 176.094 -0.190 0.000 1.069 247 V CA 0.805 62.961 62.300 -0.240 0.000 1.089 247 V CB 0.390 31.968 31.823 -0.408 0.000 0.756 247 V HN 0.176 nan 8.190 nan 0.000 0.471 248 V N 1.567 121.397 119.914 -0.140 0.000 2.443 248 V HA 0.492 4.613 4.120 0.002 0.000 0.293 248 V C -0.003 176.044 176.094 -0.078 0.000 1.021 248 V CA -0.542 61.686 62.300 -0.120 0.000 0.848 248 V CB 1.582 33.336 31.823 -0.115 0.000 0.998 248 V HN 0.428 nan 8.190 nan 0.000 0.424 249 S N 2.423 118.084 115.700 -0.065 0.000 2.610 249 S HA 0.310 4.782 4.470 0.002 0.000 0.273 249 S C 0.932 175.522 174.600 -0.017 0.000 1.274 249 S CA -0.163 58.012 58.200 -0.041 0.000 1.023 249 S CB 1.690 64.867 63.200 -0.037 0.000 0.962 249 S HN 0.840 nan 8.310 nan 0.000 0.523 250 E N 0.912 121.100 120.200 -0.021 0.000 2.106 250 E HA -0.158 4.193 4.350 0.002 0.000 0.192 250 E C 1.463 178.052 176.600 -0.018 0.000 0.984 250 E CA 1.691 58.087 56.400 -0.007 0.000 0.806 250 E CB -0.226 29.449 29.700 -0.042 0.000 0.750 250 E HN 0.934 nan 8.360 nan 0.000 0.458 251 T N -3.082 111.426 114.554 -0.077 0.000 3.023 251 T HA 0.307 4.658 4.350 0.002 0.000 0.253 251 T C 0.699 175.474 174.700 0.125 0.000 1.038 251 T CA -0.000 62.042 62.100 -0.096 0.000 0.962 251 T CB 0.847 69.573 68.868 -0.236 0.000 1.018 251 T HN 0.122 nan 8.240 nan 0.000 0.521 252 G N 2.088 110.953 108.800 0.108 0.000 2.502 252 G HA2 0.614 4.575 3.960 0.002 0.000 0.305 252 G HA3 0.614 4.575 3.960 0.002 0.000 0.305 252 G C -2.972 172.033 174.900 0.175 0.000 1.190 252 G CA -1.932 43.249 45.100 0.135 0.000 0.933 252 G HN 0.080 nan 8.290 nan 0.000 0.503 253 P HA 0.121 nan 4.420 nan 0.000 0.269 253 P C -0.004 177.255 177.300 -0.068 0.000 1.209 253 P CA -0.030 63.054 63.100 -0.027 0.000 0.776 253 P CB 0.638 32.276 31.700 -0.105 0.000 0.876 254 I N 4.457 124.957 120.570 -0.117 0.000 2.533 254 I HA 0.075 4.246 4.170 0.002 0.000 0.284 254 I C -1.892 174.095 176.117 -0.217 0.000 1.109 254 I CA -1.953 59.215 61.300 -0.221 0.000 1.412 254 I CB 0.163 37.926 38.000 -0.394 0.000 1.396 254 I HN 0.145 nan 8.210 nan 0.000 0.543 255 P HA -0.022 nan 4.420 nan 0.000 0.265 255 P C 0.768 177.958 177.300 -0.184 0.000 1.222 255 P CA 0.040 63.027 63.100 -0.189 0.000 0.767 255 P CB 0.504 32.135 31.700 -0.115 0.000 0.801 256 M N 3.775 123.276 119.600 -0.165 0.000 2.296 256 M HA -0.137 4.344 4.480 0.002 0.000 0.265 256 M C 1.457 177.721 176.300 -0.060 0.000 1.064 256 M CA 1.499 56.736 55.300 -0.104 0.000 1.109 256 M CB -0.931 31.689 32.600 0.032 0.000 1.396 256 M HN 0.331 nan 8.290 nan 0.000 0.430 257 H N 1.356 120.251 119.070 -0.292 0.000 2.545 257 H HA 0.056 4.614 4.556 0.002 0.000 0.282 257 H C 1.444 176.669 175.328 -0.172 0.000 1.020 257 H CA 0.823 56.767 56.048 -0.173 0.000 1.243 257 H CB -1.020 28.601 29.762 -0.236 0.000 1.377 257 H HN 0.530 nan 8.280 nan 0.000 0.581 258 L N 0.436 121.308 121.223 -0.586 0.000 2.592 258 L HA 0.150 4.491 4.340 0.002 0.000 0.227 258 L C 1.625 178.300 176.870 -0.325 0.000 1.127 258 L CA 0.045 54.550 54.840 -0.558 0.000 0.884 258 L CB 0.087 41.705 42.059 -0.735 0.000 1.065 258 L HN 0.139 nan 8.230 nan 0.000 0.457 259 L N -0.125 120.923 121.223 -0.292 0.000 2.607 259 L HA 0.273 4.614 4.340 0.002 0.000 0.228 259 L C 1.433 178.251 176.870 -0.087 0.000 1.123 259 L CA 0.369 55.012 54.840 -0.328 0.000 0.890 259 L CB 0.013 41.704 42.059 -0.613 0.000 1.103 259 L HN 0.414 nan 8.230 nan 0.000 0.468 260 G N 0.686 109.459 108.800 -0.044 0.000 2.159 260 G HA2 -0.295 3.666 3.960 0.002 0.000 0.256 260 G HA3 -0.295 3.666 3.960 0.002 0.000 0.256 260 G C 0.016 174.943 174.900 0.045 0.000 0.977 260 G CA 0.190 45.298 45.100 0.014 0.000 0.652 260 G HN 0.437 nan 8.290 nan 0.000 0.531 261 N N -0.874 117.859 118.700 0.056 0.000 2.324 261 N HA 0.385 5.127 4.740 0.002 0.000 0.285 261 N C 1.071 176.562 175.510 -0.031 0.000 1.076 261 N CA -0.227 52.860 53.050 0.061 0.000 0.864 261 N CB 1.409 40.014 38.487 0.198 0.000 1.632 261 N HN -0.014 nan 8.380 nan 0.000 0.478 262 M N 2.560 121.941 119.600 -0.365 0.000 2.267 262 M HA 0.061 4.542 4.480 0.002 0.000 0.263 262 M C 0.435 176.439 176.300 -0.492 0.000 1.063 262 M CA 1.719 56.581 55.300 -0.729 0.000 1.090 262 M CB -0.101 31.452 32.600 -1.744 0.000 1.392 262 M HN 0.618 nan 8.290 nan 0.000 0.422 263 W N -0.934 120.536 121.300 0.283 0.000 2.870 263 W HA 0.575 5.236 4.660 0.002 0.000 0.358 263 W C 1.056 177.720 176.519 0.241 0.000 1.043 263 W CA 0.174 57.728 57.345 0.349 0.000 1.692 263 W CB -0.906 28.690 29.460 0.227 0.000 1.100 263 W HN 0.365 nan 8.180 nan 0.000 0.557 264 A N 2.045 125.077 122.820 0.353 0.000 2.799 264 A HA -0.356 3.965 4.320 0.002 0.000 0.287 264 A C 1.706 179.493 177.584 0.339 0.000 1.484 264 A CA 2.055 54.323 52.037 0.386 0.000 0.813 264 A CB -2.018 17.215 19.000 0.389 0.000 1.009 264 A HN 0.613 nan 8.150 nan 0.000 0.545 265 Q N -1.477 118.299 119.800 -0.040 0.000 2.245 265 Q HA 0.083 4.424 4.340 0.002 0.000 0.201 265 Q C 0.751 176.739 176.000 -0.019 0.000 0.955 265 Q CA 1.289 56.806 55.803 -0.476 0.000 0.870 265 Q CB 0.121 28.201 28.738 -1.096 0.000 0.945 265 Q HN 0.839 nan 8.270 nan 0.000 0.461 266 Q N -0.942 118.936 119.800 0.130 0.000 2.315 266 Q HA 0.194 4.535 4.340 0.002 0.000 0.273 266 Q C -1.308 174.898 176.000 0.343 0.000 1.053 266 Q CA -0.672 55.198 55.803 0.112 0.000 0.817 266 Q CB 1.440 30.246 28.738 0.114 0.000 1.326 266 Q HN 0.317 nan 8.270 nan 0.000 0.423 267 W N 0.760 122.110 121.300 0.085 0.000 3.123 267 W HA 0.114 4.775 4.660 0.002 0.000 0.383 267 W C 1.435 177.994 176.519 0.067 0.000 1.102 267 W CA -0.259 57.127 57.345 0.067 0.000 1.865 267 W CB -0.423 29.075 29.460 0.063 0.000 1.111 267 W HN 0.666 nan 8.180 nan 0.000 0.621 268 S N -0.222 115.628 115.700 0.250 0.000 2.442 268 S HA -0.169 4.302 4.470 0.002 0.000 0.236 268 S C 1.347 176.043 174.600 0.161 0.000 1.007 268 S CA 1.103 59.418 58.200 0.191 0.000 0.965 268 S CB -0.113 63.184 63.200 0.161 0.000 0.773 268 S HN 0.091 nan 8.310 nan 0.000 0.504 269 E N 1.696 121.982 120.200 0.143 0.000 2.338 269 E HA -0.006 4.345 4.350 0.002 0.000 0.197 269 E C 1.695 178.339 176.600 0.073 0.000 1.007 269 E CA 0.930 57.385 56.400 0.092 0.000 0.849 269 E CB -0.348 29.394 29.700 0.070 0.000 0.774 269 E HN 0.963 nan 8.360 nan 0.000 0.506 270 I N -3.587 117.040 120.570 0.095 0.000 3.914 270 I HA 0.369 4.540 4.170 0.002 0.000 0.333 270 I C 1.777 177.952 176.117 0.096 0.000 1.449 270 I CA -0.056 61.276 61.300 0.053 0.000 1.135 270 I CB 0.377 38.382 38.000 0.007 0.000 1.073 270 I HN -0.227 nan 8.210 nan 0.000 0.401 271 A N 2.617 125.526 122.820 0.148 0.000 1.948 271 A HA -0.271 4.051 4.320 0.002 0.000 0.220 271 A C 2.106 179.774 177.584 0.141 0.000 1.177 271 A CA 2.219 54.376 52.037 0.199 0.000 0.636 271 A CB -0.769 18.357 19.000 0.209 0.000 0.815 271 A HN 0.747 nan 8.150 nan 0.000 0.449 272 D N 0.762 121.211 120.400 0.082 0.000 2.263 272 D HA -0.177 4.464 4.640 0.002 0.000 0.208 272 D C 1.603 177.914 176.300 0.019 0.000 0.971 272 D CA 1.616 55.646 54.000 0.051 0.000 0.867 272 D CB -0.531 40.287 40.800 0.029 0.000 0.929 272 D HN 0.740 nan 8.370 nan 0.000 0.492 273 I N -1.640 118.918 120.570 -0.020 0.000 3.941 273 I HA 0.094 4.265 4.170 0.002 0.000 0.321 273 I C 1.649 177.743 176.117 -0.039 0.000 1.284 273 I CA -0.112 61.139 61.300 -0.083 0.000 1.226 273 I CB 0.612 38.424 38.000 -0.314 0.000 1.045 273 I HN -0.041 nan 8.210 nan 0.000 0.420 274 V N -1.121 118.826 119.914 0.055 0.000 3.477 274 V HA 0.323 4.444 4.120 0.002 0.000 0.297 274 V C 0.918 177.118 176.094 0.177 0.000 1.433 274 V CA 0.109 62.482 62.300 0.122 0.000 1.052 274 V CB -0.760 31.208 31.823 0.242 0.000 0.895 274 V HN 0.397 nan 8.190 nan 0.000 0.438 275 S N 1.029 116.808 115.700 0.131 0.000 2.549 275 S HA 0.330 4.801 4.470 0.002 0.000 0.283 275 S C -1.111 173.459 174.600 -0.050 0.000 1.320 275 S CA -0.256 57.986 58.200 0.069 0.000 1.058 275 S CB 0.944 64.213 63.200 0.116 0.000 0.882 275 S HN 0.282 nan 8.310 nan 0.000 0.498 276 P HA -0.054 nan 4.420 nan 0.000 0.215 276 P C -0.198 176.749 177.300 -0.589 0.000 1.157 276 P CA 1.346 64.168 63.100 -0.464 0.000 0.874 276 P CB -0.032 31.113 31.700 -0.925 0.000 0.790 277 F N -2.670 117.260 119.950 -0.033 0.000 2.564 277 F HA 0.342 4.870 4.527 0.002 0.000 0.368 277 F C -1.864 173.944 175.800 0.013 0.000 1.127 277 F CA -2.218 55.783 58.000 0.002 0.000 1.170 277 F CB 1.217 40.190 39.000 -0.046 0.000 1.397 277 F HN -0.087 nan 8.300 nan 0.000 0.493 278 P HA -0.118 nan 4.420 nan 0.000 0.225 278 P C 0.884 178.240 177.300 0.093 0.000 1.148 278 P CA 1.269 64.428 63.100 0.097 0.000 0.779 278 P CB 0.279 32.018 31.700 0.065 0.000 0.780 279 E N -1.079 119.187 120.200 0.111 0.000 2.478 279 E HA 0.030 4.382 4.350 0.002 0.000 0.194 279 E C 0.441 177.073 176.600 0.053 0.000 1.045 279 E CA 0.413 56.858 56.400 0.075 0.000 0.868 279 E CB 0.165 29.909 29.700 0.073 0.000 0.885 279 E HN 0.231 nan 8.360 nan 0.000 0.505 280 K N 1.342 121.785 120.400 0.072 0.000 2.185 280 K HA 0.349 4.670 4.320 0.002 0.000 0.240 280 K C -2.484 174.137 176.600 0.034 0.000 0.983 280 K CA -2.437 53.860 56.287 0.016 0.000 0.873 280 K CB 0.718 33.205 32.500 -0.022 0.000 1.118 280 K HN -0.137 nan 8.250 nan 0.000 0.441 281 P HA 0.056 nan 4.420 nan 0.000 0.265 281 P C -0.676 176.720 177.300 0.160 0.000 1.193 281 P CA -0.320 62.826 63.100 0.076 0.000 0.765 281 P CB 0.463 32.188 31.700 0.042 0.000 0.823 282 L N 4.728 126.049 121.223 0.163 0.000 2.349 282 L HA 0.275 4.616 4.340 0.002 0.000 0.278 282 L C -0.635 176.326 176.870 0.152 0.000 0.996 282 L CA -0.841 54.099 54.840 0.168 0.000 0.825 282 L CB 1.925 44.065 42.059 0.136 0.000 1.243 282 L HN 0.046 nan 8.230 nan 0.000 0.412 283 V N 4.492 124.495 119.914 0.148 0.000 2.450 283 V HA 0.242 4.363 4.120 0.002 0.000 0.281 283 V C -0.286 175.845 176.094 0.062 0.000 1.019 283 V CA 0.157 62.504 62.300 0.078 0.000 1.062 283 V CB 0.525 32.361 31.823 0.022 0.000 0.979 283 V HN 0.746 nan 8.190 nan 0.000 0.477 284 D N 4.013 124.431 120.400 0.030 0.000 2.328 284 D HA 0.178 4.819 4.640 0.002 0.000 0.243 284 D C 0.319 176.597 176.300 -0.036 0.000 1.324 284 D CA -0.378 53.624 54.000 0.002 0.000 0.966 284 D CB 1.838 42.649 40.800 0.019 0.000 1.324 284 D HN 0.335 nan 8.370 nan 0.000 0.549 285 V N 1.097 120.965 119.914 -0.076 0.000 3.623 285 V HA 0.119 4.240 4.120 0.002 0.000 0.271 285 V C 1.705 177.708 176.094 -0.150 0.000 1.248 285 V CA 0.573 62.806 62.300 -0.113 0.000 1.156 285 V CB -0.007 31.735 31.823 -0.135 0.000 0.870 285 V HN 0.269 nan 8.190 nan 0.000 0.453 286 S N 1.953 117.577 115.700 -0.127 0.000 2.365 286 S HA -0.190 4.281 4.470 0.002 0.000 0.225 286 S C 2.266 176.802 174.600 -0.108 0.000 1.039 286 S CA 2.090 60.215 58.200 -0.124 0.000 1.033 286 S CB -0.560 62.588 63.200 -0.087 0.000 0.887 286 S HN 0.952 nan 8.310 nan 0.000 0.447 287 A N 1.431 124.205 122.820 -0.077 0.000 1.930 287 A HA -0.097 4.224 4.320 0.002 0.000 0.217 287 A C 2.091 179.632 177.584 -0.072 0.000 1.175 287 A CA 1.190 53.193 52.037 -0.057 0.000 0.627 287 A CB -0.397 18.583 19.000 -0.033 0.000 0.815 287 A HN 0.319 nan 8.150 nan 0.000 0.443 288 E N -0.317 119.825 120.200 -0.098 0.000 2.106 288 E HA -0.141 4.210 4.350 0.002 0.000 0.192 288 E C 2.065 178.550 176.600 -0.191 0.000 0.984 288 E CA 1.107 57.439 56.400 -0.113 0.000 0.806 288 E CB -0.386 29.247 29.700 -0.111 0.000 0.750 288 E HN 0.725 nan 8.360 nan 0.000 0.458 289 M N 0.352 119.762 119.600 -0.318 0.000 2.080 289 M HA -0.191 4.290 4.480 0.002 0.000 0.260 289 M C 2.126 178.314 176.300 -0.186 0.000 1.068 289 M CA 1.589 56.552 55.300 -0.561 0.000 1.109 289 M CB -0.332 31.932 32.600 -0.559 0.000 1.342 289 M HN 0.028 nan 8.290 nan 0.000 0.405 290 E N 0.198 120.344 120.200 -0.089 0.000 2.051 290 E HA -0.233 4.119 4.350 0.002 0.000 0.192 290 E C 2.020 178.631 176.600 0.017 0.000 0.991 290 E CA 1.198 57.595 56.400 -0.004 0.000 0.799 290 E CB -0.197 29.497 29.700 -0.010 0.000 0.748 290 E HN 0.386 nan 8.360 nan 0.000 0.449 291 K N 0.947 121.343 120.400 -0.007 0.000 2.063 291 K HA -0.221 4.101 4.320 0.002 0.000 0.208 291 K C 1.835 178.460 176.600 0.040 0.000 1.048 291 K CA 1.495 57.788 56.287 0.010 0.000 0.928 291 K CB 0.046 32.542 32.500 -0.006 0.000 0.713 291 K HN 0.115 nan 8.250 nan 0.000 0.442 292 Q N -0.882 118.958 119.800 0.065 0.000 2.444 292 Q HA 0.059 4.400 4.340 0.002 0.000 0.206 292 Q C 0.424 176.542 176.000 0.195 0.000 0.948 292 Q CA 0.445 56.333 55.803 0.142 0.000 0.946 292 Q CB 0.583 29.449 28.738 0.214 0.000 1.027 292 Q HN 0.618 nan 8.270 nan 0.000 0.513 293 G N 0.895 109.794 108.800 0.166 0.000 2.198 293 G HA2 -0.317 3.644 3.960 0.002 0.000 0.257 293 G HA3 -0.317 3.644 3.960 0.002 0.000 0.257 293 G C -0.341 174.675 174.900 0.193 0.000 1.042 293 G CA -0.249 44.936 45.100 0.142 0.000 0.791 293 G HN 0.419 nan 8.290 nan 0.000 0.502 294 Y N 0.957 121.271 120.300 0.024 0.000 2.702 294 Y HA 0.306 4.857 4.550 0.002 0.000 0.336 294 Y C 1.678 177.606 175.900 0.047 0.000 1.235 294 Y CA 0.986 59.107 58.100 0.036 0.000 1.492 294 Y CB 0.699 39.178 38.460 0.031 0.000 1.308 294 Y HN 0.425 nan 8.280 nan 0.000 0.589 295 T N 0.178 114.810 114.554 0.131 0.000 2.916 295 T HA 0.320 4.671 4.350 0.002 0.000 0.292 295 T C -2.297 172.502 174.700 0.165 0.000 1.064 295 T CA -2.310 59.864 62.100 0.125 0.000 1.011 295 T CB 1.961 70.877 68.868 0.080 0.000 1.152 295 T HN 0.185 nan 8.240 nan 0.000 0.510 296 P HA -0.095 nan 4.420 nan 0.000 0.215 296 P C 1.730 179.270 177.300 0.400 0.000 1.157 296 P CA 0.448 63.726 63.100 0.297 0.000 0.874 296 P CB -0.039 31.825 31.700 0.272 0.000 0.790 297 L N 0.114 121.506 121.223 0.281 0.000 2.013 297 L HA -0.197 4.145 4.340 0.002 0.000 0.212 297 L C 2.249 179.273 176.870 0.256 0.000 1.073 297 L CA 2.108 57.118 54.840 0.283 0.000 0.753 297 L CB -1.297 40.841 42.059 0.133 0.000 0.890 297 L HN -0.213 nan 8.230 nan 0.000 0.432 298 K N -0.666 119.803 120.400 0.114 0.000 2.057 298 K HA -0.165 4.156 4.320 0.002 0.000 0.207 298 K C 1.988 178.619 176.600 0.052 0.000 1.049 298 K CA 2.045 58.329 56.287 -0.006 0.000 0.931 298 K CB -0.313 32.059 32.500 -0.212 0.000 0.714 298 K HN 0.387 nan 8.250 nan 0.000 0.440 299 M N -0.948 118.728 119.600 0.127 0.000 2.086 299 M HA -0.101 4.380 4.480 0.002 0.000 0.261 299 M C 1.853 178.213 176.300 0.100 0.000 1.067 299 M CA 1.691 57.069 55.300 0.131 0.000 1.116 299 M CB -0.384 32.282 32.600 0.110 0.000 1.348 299 M HN 0.044 nan 8.290 nan 0.000 0.407 300 F N 0.602 120.694 119.950 0.238 0.000 2.186 300 F HA -0.209 4.320 4.527 0.002 0.000 0.299 300 F C 2.609 178.650 175.800 0.402 0.000 1.090 300 F CA 1.493 59.679 58.000 0.309 0.000 1.307 300 F CB -0.527 38.733 39.000 0.434 0.000 1.019 300 F HN 0.180 nan 8.300 nan 0.000 0.489 301 Q N -0.488 119.653 119.800 0.568 0.000 2.124 301 Q HA -0.230 4.111 4.340 0.002 0.000 0.202 301 Q C 2.202 178.367 176.000 0.275 0.000 0.977 301 Q CA 1.695 57.737 55.803 0.399 0.000 0.850 301 Q CB -0.274 28.548 28.738 0.140 0.000 0.901 301 Q HN 0.464 nan 8.270 nan 0.000 0.429 302 M N -0.557 119.170 119.600 0.213 0.000 2.175 302 M HA -0.076 4.405 4.480 0.002 0.000 0.264 302 M C 2.179 178.639 176.300 0.268 0.000 1.063 302 M CA 1.412 56.847 55.300 0.225 0.000 1.119 302 M CB -0.311 32.424 32.600 0.225 0.000 1.377 302 M HN 0.333 nan 8.290 nan 0.000 0.415 303 G N 0.078 108.931 108.800 0.087 0.000 2.421 303 G HA2 -0.276 3.686 3.960 0.002 0.000 0.216 303 G HA3 -0.276 3.686 3.960 0.002 0.000 0.216 303 G C 1.092 176.120 174.900 0.213 0.000 1.171 303 G CA 1.392 46.394 45.100 -0.163 0.000 0.775 303 G HN 0.395 nan 8.290 nan 0.000 0.543 304 D N 0.701 121.255 120.400 0.258 0.000 2.104 304 D HA -0.157 4.484 4.640 0.002 0.000 0.194 304 D C 2.037 178.515 176.300 0.297 0.000 0.994 304 D CA 1.492 55.663 54.000 0.284 0.000 0.830 304 D CB -0.415 40.598 40.800 0.356 0.000 0.959 304 D HN 0.272 nan 8.370 nan 0.000 0.452 305 D N -1.255 119.318 120.400 0.288 0.000 2.123 305 D HA -0.200 4.441 4.640 0.002 0.000 0.196 305 D C 2.032 178.514 176.300 0.303 0.000 0.992 305 D CA 0.874 55.035 54.000 0.269 0.000 0.833 305 D CB -0.589 40.374 40.800 0.273 0.000 0.954 305 D HN 0.334 nan 8.370 nan 0.000 0.455 306 F N -0.736 119.365 119.950 0.253 0.000 2.102 306 F HA -0.142 4.387 4.527 0.002 0.000 0.298 306 F C 1.905 177.636 175.800 -0.115 0.000 1.105 306 F CA 1.185 59.280 58.000 0.159 0.000 1.239 306 F CB -0.187 38.880 39.000 0.112 0.000 0.991 306 F HN -0.058 nan 8.300 nan 0.000 0.474 307 F N 0.415 120.508 119.950 0.238 0.000 2.075 307 F HA -0.241 4.287 4.527 0.002 0.000 0.297 307 F C 2.887 178.678 175.800 -0.015 0.000 1.113 307 F CA 1.963 59.991 58.000 0.046 0.000 1.218 307 F CB -1.400 37.567 39.000 -0.055 0.000 0.984 307 F HN 0.008 nan 8.300 nan 0.000 0.472 308 T N -2.585 112.078 114.554 0.182 0.000 2.833 308 T HA -0.209 4.143 4.350 0.002 0.000 0.269 308 T C 2.127 176.803 174.700 -0.040 0.000 1.054 308 T CA 1.294 63.433 62.100 0.065 0.000 1.135 308 T CB -1.013 67.898 68.868 0.072 0.000 0.869 308 T HN 0.327 nan 8.240 nan 0.000 0.466 309 S N 1.458 117.074 115.700 -0.141 0.000 2.442 309 S HA 0.025 4.496 4.470 0.002 0.000 0.236 309 S C 1.878 176.277 174.600 -0.334 0.000 1.007 309 S CA 0.737 58.706 58.200 -0.385 0.000 0.965 309 S CB -0.779 61.810 63.200 -1.019 0.000 0.773 309 S HN 0.584 nan 8.310 nan 0.000 0.504 310 M N 1.087 120.568 119.600 -0.199 0.000 2.494 310 M HA 0.282 4.763 4.480 0.002 0.000 0.232 310 M C 0.525 176.794 176.300 -0.052 0.000 1.137 310 M CA 0.028 55.259 55.300 -0.114 0.000 1.012 310 M CB -0.356 32.215 32.600 -0.049 0.000 1.567 310 M HN 0.356 nan 8.290 nan 0.000 0.486 311 N N 1.081 119.746 118.700 -0.057 0.000 2.776 311 N HA -0.146 4.595 4.740 0.002 0.000 0.249 311 N C -1.168 174.329 175.510 -0.022 0.000 1.111 311 N CA 0.559 53.583 53.050 -0.043 0.000 0.711 311 N CB -1.216 37.238 38.487 -0.055 0.000 1.065 311 N HN 0.382 nan 8.380 nan 0.000 0.556 312 L N -0.971 120.263 121.223 0.019 0.000 2.421 312 L HA 0.528 4.869 4.340 0.002 0.000 0.267 312 L C 0.872 177.754 176.870 0.020 0.000 1.036 312 L CA -0.875 53.990 54.840 0.042 0.000 0.829 312 L CB 0.776 42.911 42.059 0.126 0.000 1.437 312 L HN -0.007 nan 8.230 nan 0.000 0.488 313 T N 0.839 115.384 114.554 -0.015 0.000 2.794 313 T HA 0.107 4.458 4.350 0.002 0.000 0.296 313 T C -0.023 174.640 174.700 -0.061 0.000 0.949 313 T CA -0.360 61.714 62.100 -0.044 0.000 1.101 313 T CB 0.638 69.471 68.868 -0.059 0.000 0.905 313 T HN 0.351 nan 8.240 nan 0.000 0.516 314 K N 3.762 124.150 120.400 -0.019 0.000 2.436 314 K HA 0.146 4.467 4.320 0.002 0.000 0.275 314 K C -0.183 176.391 176.600 -0.042 0.000 0.999 314 K CA -0.477 55.815 56.287 0.008 0.000 0.980 314 K CB 0.310 32.843 32.500 0.054 0.000 0.919 314 K HN 0.530 nan 8.250 nan 0.000 0.484 315 L N 6.631 127.813 121.223 -0.069 0.000 2.513 315 L HA 0.107 4.448 4.340 0.002 0.000 0.272 315 L C -1.569 175.293 176.870 -0.014 0.000 1.187 315 L CA -1.542 53.160 54.840 -0.231 0.000 0.895 315 L CB 0.216 41.922 42.059 -0.588 0.000 1.147 315 L HN 0.688 nan 8.230 nan 0.000 0.483 316 P HA 0.032 nan 4.420 nan 0.000 0.274 316 P C -0.154 177.244 177.300 0.163 0.000 1.256 316 P CA -0.495 62.646 63.100 0.069 0.000 0.795 316 P CB 0.933 32.652 31.700 0.031 0.000 1.038 317 Q N 0.466 120.379 119.800 0.190 0.000 2.124 317 Q HA -0.163 4.179 4.340 0.002 0.000 0.202 317 Q C 1.360 177.458 176.000 0.163 0.000 0.977 317 Q CA 1.915 57.866 55.803 0.247 0.000 0.850 317 Q CB -1.005 27.822 28.738 0.149 0.000 0.901 317 Q HN 0.344 nan 8.270 nan 0.000 0.429 318 D N -0.839 119.600 120.400 0.064 0.000 2.158 318 D HA -0.173 4.468 4.640 0.002 0.000 0.197 318 D C 1.391 177.655 176.300 -0.060 0.000 0.995 318 D CA 0.901 54.885 54.000 -0.026 0.000 0.846 318 D CB -0.323 40.434 40.800 -0.071 0.000 0.941 318 D HN 0.313 nan 8.370 nan 0.000 0.456 319 F N -0.336 119.497 119.950 -0.194 0.000 2.069 319 F HA -0.180 4.348 4.527 0.003 0.000 0.298 319 F C 1.903 177.519 175.800 -0.307 0.000 1.113 319 F CA 1.587 59.392 58.000 -0.325 0.000 1.214 319 F CB -0.529 38.172 39.000 -0.499 0.000 0.978 319 F HN 0.007 nan 8.300 nan 0.000 0.474 320 W N 0.773 122.104 121.300 0.052 0.000 2.388 320 W HA -0.151 4.510 4.660 0.002 0.000 0.294 320 W C 2.214 178.650 176.519 -0.138 0.000 1.212 320 W CA 0.801 58.112 57.345 -0.057 0.000 1.271 320 W CB -0.539 28.959 29.460 0.063 0.000 1.126 320 W HN -0.030 nan 8.180 nan 0.000 0.535 321 D N -0.058 120.399 120.400 0.094 0.000 2.183 321 D HA -0.099 4.543 4.640 0.002 0.000 0.203 321 D C 1.633 177.881 176.300 -0.088 0.000 0.969 321 D CA 1.368 55.370 54.000 0.005 0.000 0.842 321 D CB -0.241 40.554 40.800 -0.008 0.000 0.957 321 D HN 0.243 nan 8.370 nan 0.000 0.484 322 K N -0.300 119.986 120.400 -0.191 0.000 2.399 322 K HA 0.197 4.518 4.320 0.002 0.000 0.196 322 K C 0.625 177.073 176.600 -0.253 0.000 1.103 322 K CA -0.095 56.037 56.287 -0.259 0.000 0.986 322 K CB 0.880 33.125 32.500 -0.425 0.000 0.952 322 K HN -0.142 nan 8.250 nan 0.000 0.541 323 S N 1.274 116.745 115.700 -0.381 0.000 2.573 323 S HA 0.188 4.659 4.470 0.002 0.000 0.277 323 S C 0.208 174.736 174.600 -0.120 0.000 1.346 323 S CA -0.036 57.950 58.200 -0.356 0.000 1.034 323 S CB 0.531 63.164 63.200 -0.945 0.000 0.879 323 S HN 0.119 nan 8.310 nan 0.000 0.528 324 I N 2.887 123.464 120.570 0.012 0.000 2.354 324 I HA 0.284 4.455 4.170 0.002 0.000 0.286 324 I C 0.677 176.748 176.117 -0.076 0.000 1.007 324 I CA -0.135 61.149 61.300 -0.028 0.000 1.167 324 I CB 0.901 38.879 38.000 -0.037 0.000 1.320 324 I HN 0.656 nan 8.210 nan 0.000 0.458 325 I N 1.285 121.795 120.570 -0.100 0.000 4.082 325 I HA 0.472 4.643 4.170 0.002 0.000 0.337 325 I C 0.061 176.226 176.117 0.080 0.000 1.352 325 I CA 0.029 61.290 61.300 -0.065 0.000 1.097 325 I CB 0.268 38.112 38.000 -0.259 0.000 1.048 325 I HN 0.431 nan 8.210 nan 0.000 0.393 326 E N 1.882 122.109 120.200 0.045 0.000 2.356 326 E HA 0.354 4.705 4.350 0.002 0.000 0.275 326 E C -1.171 175.445 176.600 0.027 0.000 0.904 326 E CA -0.984 55.450 56.400 0.056 0.000 0.757 326 E CB 2.665 32.397 29.700 0.052 0.000 1.232 326 E HN 0.089 nan 8.360 nan 0.000 0.442 327 K N 2.875 123.293 120.400 0.029 0.000 2.447 327 K HA 0.121 4.442 4.320 0.002 0.000 0.281 327 K C -2.279 174.323 176.600 0.002 0.000 1.031 327 K CA -1.141 55.152 56.287 0.010 0.000 1.019 327 K CB 0.215 32.724 32.500 0.015 0.000 0.918 327 K HN 0.119 nan 8.250 nan 0.000 0.476 328 P HA -0.040 nan 4.420 nan 0.000 0.267 328 P C 0.021 177.317 177.300 -0.007 0.000 1.200 328 P CA 0.012 63.102 63.100 -0.016 0.000 0.772 328 P CB 0.762 32.442 31.700 -0.033 0.000 0.855 329 T N -2.862 111.690 114.554 -0.003 0.000 3.069 329 T HA 0.071 4.422 4.350 0.002 0.000 0.252 329 T C 0.423 175.123 174.700 0.000 0.000 1.053 329 T CA -0.290 61.811 62.100 0.002 0.000 0.964 329 T CB -0.547 68.325 68.868 0.006 0.000 1.005 329 T HN 0.386 nan 8.240 nan 0.000 0.532 330 D N 1.575 121.973 120.400 -0.004 0.000 2.414 330 D HA 0.354 4.995 4.640 0.002 0.000 0.259 330 D C 1.596 177.893 176.300 -0.004 0.000 1.269 330 D CA -0.270 53.728 54.000 -0.004 0.000 1.028 330 D CB -0.224 40.572 40.800 -0.007 0.000 1.093 330 D HN 0.071 nan 8.370 nan 0.000 0.545 331 G N -1.687 107.111 108.800 -0.003 0.000 2.920 331 G HA2 -0.094 3.867 3.960 0.002 0.000 0.208 331 G HA3 -0.094 3.867 3.960 0.002 0.000 0.208 331 G C 0.655 175.551 174.900 -0.006 0.000 1.159 331 G CA -0.215 44.884 45.100 -0.001 0.000 0.784 331 G HN 0.584 nan 8.290 nan 0.000 0.535 332 R N 0.734 121.225 120.500 -0.015 0.000 2.734 332 R HA 0.123 4.465 4.340 0.002 0.000 0.266 332 R C -1.376 174.906 176.300 -0.030 0.000 1.044 332 R CA -0.135 55.950 56.100 -0.025 0.000 1.128 332 R CB 0.574 30.851 30.300 -0.038 0.000 1.010 332 R HN -0.100 nan 8.270 nan 0.000 0.461 333 D N 2.862 123.239 120.400 -0.038 0.000 2.255 333 D HA 0.397 5.038 4.640 0.002 0.000 0.249 333 D C 0.127 176.375 176.300 -0.087 0.000 1.078 333 D CA -0.205 53.768 54.000 -0.045 0.000 0.896 333 D CB 1.500 42.279 40.800 -0.034 0.000 1.194 333 D HN 0.529 nan 8.370 nan 0.000 0.429 334 L N -2.178 118.998 121.223 -0.078 0.000 2.568 334 L HA 0.565 4.906 4.340 0.002 0.000 0.257 334 L C -1.208 175.633 176.870 -0.049 0.000 1.024 334 L CA -1.142 53.629 54.840 -0.115 0.000 0.854 334 L CB 1.523 43.507 42.059 -0.126 0.000 1.460 334 L HN -0.028 nan 8.230 nan 0.000 0.409 335 V N 0.893 120.779 119.914 -0.047 0.000 2.405 335 V HA 0.079 4.201 4.120 0.002 0.000 0.264 335 V C 0.782 176.896 176.094 0.033 0.000 1.048 335 V CA -0.024 62.310 62.300 0.058 0.000 0.966 335 V CB 0.678 32.572 31.823 0.119 0.000 1.015 335 V HN 0.991 nan 8.190 nan 0.000 0.477 336 c N 3.512 122.149 118.600 0.061 0.000 2.673 336 c HA 0.103 4.675 4.570 0.002 0.000 0.264 336 c C 1.367 175.464 174.090 0.013 0.000 1.304 336 c CA -0.127 56.224 56.329 0.037 0.000 1.727 336 c CB -1.302 41.237 42.510 0.048 0.000 1.932 336 c HN 0.949 nan 8.230 nan 0.000 0.563 337 H N 1.082 120.063 119.070 -0.149 0.000 3.046 337 H HA 0.365 4.922 4.556 0.002 0.000 0.303 337 H C 0.640 175.869 175.328 -0.166 0.000 1.002 337 H CA 0.488 56.347 56.048 -0.316 0.000 1.460 337 H CB 0.492 29.627 29.762 -1.045 0.000 1.493 337 H HN 0.450 nan 8.280 nan 0.000 0.559 338 A N 4.531 127.149 122.820 -0.337 0.000 2.540 338 A HA 0.361 4.682 4.320 0.002 0.000 0.239 338 A C -0.096 177.570 177.584 0.137 0.000 1.061 338 A CA 0.558 52.577 52.037 -0.029 0.000 0.758 338 A CB -0.176 18.818 19.000 -0.010 0.000 0.991 338 A HN 0.849 nan 8.150 nan 0.000 0.502 339 S N 0.621 116.490 115.700 0.282 0.000 2.541 339 S HA 0.802 5.274 4.470 0.002 0.000 0.271 339 S C -0.620 174.249 174.600 0.448 0.000 1.133 339 S CA -0.156 58.228 58.200 0.307 0.000 0.876 339 S CB 1.637 65.024 63.200 0.311 0.000 1.105 339 S HN 2.047 nan 8.310 nan 0.000 0.470 340 A N 1.285 124.270 122.820 0.275 0.000 2.350 340 A HA 0.827 5.149 4.320 0.002 0.000 0.324 340 A C -1.738 176.038 177.584 0.319 0.000 1.118 340 A CA -0.772 51.542 52.037 0.461 0.000 0.783 340 A CB 0.594 19.833 19.000 0.399 0.000 1.236 340 A HN 0.788 nan 8.150 nan 0.000 0.457 341 W N 0.777 122.289 121.300 0.353 0.000 2.839 341 W HA 0.500 5.162 4.660 0.003 0.000 0.334 341 W C -0.873 175.394 176.519 -0.420 0.000 1.064 341 W CA -0.253 57.055 57.345 -0.062 0.000 1.236 341 W CB 1.902 31.356 29.460 -0.010 0.000 1.405 341 W HN 0.649 nan 8.180 nan 0.000 0.478 342 D N 1.935 121.793 120.400 -0.903 0.000 2.303 342 D HA 0.307 4.948 4.640 0.002 0.000 0.236 342 D C -0.263 175.501 176.300 -0.895 0.000 1.068 342 D CA -0.549 52.768 54.000 -1.139 0.000 0.830 342 D CB 0.907 40.528 40.800 -1.965 0.000 1.109 342 D HN 0.240 nan 8.370 nan 0.000 0.496 343 F N 2.382 122.105 119.950 -0.378 0.000 2.727 343 F HA 0.147 4.675 4.527 0.002 0.000 0.302 343 F C 0.463 176.276 175.800 0.023 0.000 1.097 343 F CA -0.356 57.569 58.000 -0.125 0.000 1.330 343 F CB -0.219 38.723 39.000 -0.097 0.000 1.084 343 F HN 0.430 nan 8.300 nan 0.000 0.578 344 Y N -1.306 119.058 120.300 0.105 0.000 4.409 344 Y HA -0.292 4.260 4.550 0.002 0.000 0.228 344 Y C 0.762 176.732 175.900 0.117 0.000 1.108 344 Y CA -0.282 57.894 58.100 0.126 0.000 1.955 344 Y CB -2.170 36.402 38.460 0.187 0.000 1.615 344 Y HN 0.060 nan 8.280 nan 0.000 0.665 345 L N -1.449 119.887 121.223 0.188 0.000 2.674 345 L HA 0.537 4.879 4.340 0.002 0.000 0.182 345 L C 0.796 177.732 176.870 0.111 0.000 1.867 345 L CA -0.477 54.441 54.840 0.130 0.000 2.994 345 L CB 0.310 42.420 42.059 0.085 0.000 2.945 345 L HN -0.089 nan 8.230 nan 0.000 0.729 346 T N -0.042 114.558 114.554 0.077 0.000 2.809 346 T HA 0.257 4.609 4.350 0.002 0.000 0.284 346 T C -0.827 173.903 174.700 0.049 0.000 0.992 346 T CA -0.350 61.793 62.100 0.072 0.000 0.957 346 T CB 1.255 70.162 68.868 0.064 0.000 0.942 346 T HN 0.523 nan 8.240 nan 0.000 0.439 347 D N 0.942 121.374 120.400 0.053 0.000 3.046 347 D HA -0.131 4.510 4.640 0.002 0.000 0.210 347 D C -0.093 176.221 176.300 0.022 0.000 1.124 347 D CA 1.098 55.120 54.000 0.037 0.000 0.986 347 D CB -0.579 40.238 40.800 0.029 0.000 1.118 347 D HN 0.582 nan 8.370 nan 0.000 0.416 348 D N 0.737 121.148 120.400 0.019 0.000 2.494 348 D HA 0.321 4.962 4.640 0.002 0.000 0.217 348 D C -0.286 176.068 176.300 0.090 0.000 1.153 348 D CA -0.343 53.639 54.000 -0.031 0.000 0.954 348 D CB 0.260 40.994 40.800 -0.109 0.000 1.034 348 D HN 0.100 nan 8.370 nan 0.000 0.518 349 V N 1.079 121.060 119.914 0.111 0.000 2.735 349 V HA 0.772 4.893 4.120 0.002 0.000 0.310 349 V C -0.338 175.922 176.094 0.277 0.000 1.061 349 V CA -0.992 61.464 62.300 0.260 0.000 0.913 349 V CB 2.145 34.137 31.823 0.282 0.000 1.005 349 V HN 0.256 nan 8.190 nan 0.000 0.428 350 R N 2.857 123.571 120.500 0.357 0.000 2.740 350 R HA 0.763 5.104 4.340 0.002 0.000 0.273 350 R C -1.573 174.970 176.300 0.405 0.000 0.998 350 R CA -0.735 55.436 56.100 0.118 0.000 0.900 350 R CB 2.809 32.884 30.300 -0.376 0.000 1.223 350 R HN 0.773 nan 8.270 nan 0.000 0.466 351 I N 1.276 121.967 120.570 0.203 0.000 2.530 351 I HA 0.349 4.520 4.170 0.002 0.000 0.297 351 I C -0.582 175.739 176.117 0.340 0.000 1.011 351 I CA -0.713 60.827 61.300 0.401 0.000 1.107 351 I CB 2.151 40.391 38.000 0.401 0.000 1.285 351 I HN 0.340 nan 8.210 nan 0.000 0.436 352 K N 6.250 126.916 120.400 0.443 0.000 2.425 352 K HA 0.443 4.764 4.320 0.002 0.000 0.259 352 K C -1.137 175.585 176.600 0.203 0.000 0.978 352 K CA -0.462 55.950 56.287 0.209 0.000 0.883 352 K CB 1.091 33.592 32.500 0.002 0.000 1.110 352 K HN 0.588 nan 8.250 nan 0.000 0.436 353 Q N 4.100 123.996 119.800 0.161 0.000 2.271 353 Q HA 0.282 4.624 4.340 0.002 0.000 0.268 353 Q C -1.340 174.740 176.000 0.133 0.000 1.021 353 Q CA -0.818 55.097 55.803 0.187 0.000 0.802 353 Q CB 1.593 30.542 28.738 0.352 0.000 1.282 353 Q HN 0.770 nan 8.270 nan 0.000 0.431 354 c N 3.962 122.615 118.600 0.088 0.000 3.025 354 c HA 0.224 4.795 4.570 0.002 0.000 0.547 354 c C 0.337 174.480 174.090 0.089 0.000 1.058 354 c CA -0.332 56.038 56.329 0.068 0.000 1.164 354 c CB -1.965 40.568 42.510 0.038 0.000 1.405 354 c HN 0.610 nan 8.230 nan 0.000 0.610 355 T N 2.687 117.325 114.554 0.141 0.000 2.916 355 T HA 0.198 4.549 4.350 0.002 0.000 0.303 355 T C 0.419 175.184 174.700 0.108 0.000 1.025 355 T CA 0.359 62.555 62.100 0.160 0.000 1.142 355 T CB 0.617 69.654 68.868 0.282 0.000 0.947 355 T HN 0.604 nan 8.240 nan 0.000 0.544 356 R N 1.182 121.728 120.500 0.077 0.000 2.854 356 R HA 0.536 4.877 4.340 0.002 0.000 0.271 356 R C -0.862 175.467 176.300 0.048 0.000 0.996 356 R CA -0.964 55.168 56.100 0.054 0.000 0.961 356 R CB 1.656 31.973 30.300 0.027 0.000 1.182 356 R HN 0.363 nan 8.270 nan 0.000 0.479 357 V N 2.529 122.471 119.914 0.046 0.000 2.223 357 V HA 0.166 4.287 4.120 0.002 0.000 0.249 357 V C 0.129 176.211 176.094 -0.020 0.000 1.233 357 V CA -0.011 62.314 62.300 0.041 0.000 1.131 357 V CB -0.399 31.467 31.823 0.072 0.000 1.298 357 V HN 0.935 nan 8.190 nan 0.000 0.498 358 T N -0.327 114.195 114.554 -0.053 0.000 2.864 358 T HA 0.349 4.700 4.350 0.002 0.000 0.299 358 T C 0.580 175.166 174.700 -0.190 0.000 1.166 358 T CA -0.474 61.563 62.100 -0.105 0.000 1.007 358 T CB 2.137 70.955 68.868 -0.082 0.000 1.219 358 T HN 0.270 nan 8.240 nan 0.000 0.506 359 Q N 0.254 119.902 119.800 -0.252 0.000 2.030 359 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 359 Q C 1.580 177.129 176.000 -0.753 0.000 0.986 359 Q CA 2.534 58.062 55.803 -0.458 0.000 0.843 359 Q CB -0.424 28.095 28.738 -0.364 0.000 0.904 359 Q HN 0.842 nan 8.270 nan 0.000 0.420 360 D N -0.583 119.547 120.400 -0.451 0.000 2.149 360 D HA -0.190 4.451 4.640 0.002 0.000 0.198 360 D C 1.954 178.127 176.300 -0.211 0.000 0.990 360 D CA 1.150 54.964 54.000 -0.309 0.000 0.839 360 D CB 0.047 40.806 40.800 -0.069 0.000 0.948 360 D HN 0.254 nan 8.370 nan 0.000 0.460 361 Q N -0.429 119.274 119.800 -0.162 0.000 2.167 361 Q HA -0.101 4.240 4.340 0.002 0.000 0.202 361 Q C 2.194 178.148 176.000 -0.077 0.000 0.970 361 Q CA 0.430 56.188 55.803 -0.076 0.000 0.855 361 Q CB -0.291 28.425 28.738 -0.037 0.000 0.911 361 Q HN 0.359 nan 8.270 nan 0.000 0.438 362 L N 0.023 121.145 121.223 -0.168 0.000 2.083 362 L HA -0.131 4.211 4.340 0.002 0.000 0.209 362 L C 1.828 178.760 176.870 0.104 0.000 1.083 362 L CA 1.498 56.299 54.840 -0.066 0.000 0.752 362 L CB -0.506 41.465 42.059 -0.148 0.000 0.899 362 L HN 0.010 nan 8.230 nan 0.000 0.433 363 F N -0.566 119.372 119.950 -0.019 0.000 2.146 363 F HA -0.111 4.417 4.527 0.002 0.000 0.298 363 F C 2.532 178.340 175.800 0.015 0.000 1.096 363 F CA 1.391 59.354 58.000 -0.060 0.000 1.275 363 F CB -1.935 37.000 39.000 -0.108 0.000 1.008 363 F HN 0.025 nan 8.300 nan 0.000 0.480 364 T N 0.159 114.820 114.554 0.180 0.000 2.720 364 T HA -0.137 4.215 4.350 0.002 0.000 0.268 364 T C 2.369 177.152 174.700 0.138 0.000 1.037 364 T CA 1.375 63.553 62.100 0.130 0.000 1.144 364 T CB -0.689 68.212 68.868 0.057 0.000 0.864 364 T HN 0.048 nan 8.240 nan 0.000 0.444 365 V N 1.072 121.002 119.914 0.026 0.000 2.287 365 V HA -0.232 3.889 4.120 0.002 0.000 0.248 365 V C 2.281 178.327 176.094 -0.080 0.000 1.053 365 V CA 1.905 64.082 62.300 -0.206 0.000 1.027 365 V CB -0.674 30.822 31.823 -0.544 0.000 0.646 365 V HN 0.553 nan 8.190 nan 0.000 0.447 366 H N -1.408 117.647 119.070 -0.025 0.000 2.423 366 H HA -0.132 4.425 4.556 0.002 0.000 0.297 366 H C 2.215 177.548 175.328 0.008 0.000 1.075 366 H CA 1.806 57.844 56.048 -0.018 0.000 1.342 366 H CB -0.328 29.353 29.762 -0.134 0.000 1.395 366 H HN 0.662 nan 8.280 nan 0.000 0.530 367 H N 0.754 119.862 119.070 0.064 0.000 2.293 367 H HA -0.102 4.455 4.556 0.002 0.000 0.300 367 H C 1.857 177.179 175.328 -0.010 0.000 1.082 367 H CA 1.770 57.813 56.048 -0.009 0.000 1.308 367 H CB 0.300 30.077 29.762 0.025 0.000 1.375 367 H HN 0.184 nan 8.280 nan 0.000 0.495 368 E N 0.523 120.839 120.200 0.193 0.000 2.110 368 E HA -0.120 4.231 4.350 0.002 0.000 0.193 368 E C 2.529 179.200 176.600 0.118 0.000 0.988 368 E CA 0.809 57.366 56.400 0.262 0.000 0.804 368 E CB -0.251 29.688 29.700 0.399 0.000 0.745 368 E HN 0.559 nan 8.360 nan 0.000 0.458 369 L N 0.211 121.467 121.223 0.056 0.000 2.275 369 L HA -0.051 4.291 4.340 0.002 0.000 0.215 369 L C 2.361 179.030 176.870 -0.335 0.000 1.119 369 L CA 0.901 55.674 54.840 -0.110 0.000 0.790 369 L CB -0.556 41.486 42.059 -0.028 0.000 0.919 369 L HN 0.168 nan 8.230 nan 0.000 0.443 370 G N -1.093 107.607 108.800 -0.166 0.000 2.418 370 G HA2 -0.241 3.721 3.960 0.002 0.000 0.217 370 G HA3 -0.241 3.721 3.960 0.002 0.000 0.217 370 G C 1.364 176.036 174.900 -0.380 0.000 1.158 370 G CA 0.386 45.347 45.100 -0.231 0.000 0.771 370 G HN 0.344 nan 8.290 nan 0.000 0.545 371 H N 0.573 119.469 119.070 -0.289 0.000 2.321 371 H HA -0.029 4.528 4.556 0.002 0.000 0.300 371 H C 2.798 177.574 175.328 -0.920 0.000 1.087 371 H CA 1.081 56.878 56.048 -0.418 0.000 1.319 371 H CB -0.245 29.313 29.762 -0.340 0.000 1.379 371 H HN 0.176 nan 8.280 nan 0.000 0.501 372 I N 1.036 121.320 120.570 -0.476 0.000 2.151 372 I HA -0.272 3.899 4.170 0.002 0.000 0.243 372 I C 2.603 178.467 176.117 -0.421 0.000 1.080 372 I CA 1.288 62.373 61.300 -0.358 0.000 1.339 372 I CB -1.053 36.801 38.000 -0.245 0.000 1.039 372 I HN 0.223 nan 8.210 nan 0.000 0.409 373 Q N 0.359 119.812 119.800 -0.577 0.000 2.096 373 Q HA -0.235 4.106 4.340 0.002 0.000 0.204 373 Q C 2.317 178.107 176.000 -0.351 0.000 0.982 373 Q CA 1.745 57.214 55.803 -0.557 0.000 0.850 373 Q CB -0.648 27.571 28.738 -0.865 0.000 0.901 373 Q HN 0.579 nan 8.270 nan 0.000 0.422 374 Y N -0.990 118.984 120.300 -0.544 0.000 2.181 374 Y HA -0.281 4.270 4.550 0.002 0.000 0.288 374 Y C 1.529 176.892 175.900 -0.895 0.000 1.146 374 Y CA 0.796 58.521 58.100 -0.626 0.000 1.164 374 Y CB -0.009 37.982 38.460 -0.783 0.000 0.982 374 Y HN 0.167 nan 8.280 nan 0.000 0.515 375 F N -0.028 119.645 119.950 -0.461 0.000 2.126 375 F HA -0.290 4.238 4.527 0.002 0.000 0.299 375 F C 2.150 177.732 175.800 -0.363 0.000 1.096 375 F CA 1.190 58.870 58.000 -0.533 0.000 1.255 375 F CB -1.320 37.578 39.000 -0.170 0.000 0.997 375 F HN 0.043 nan 8.300 nan 0.000 0.479 376 L N -0.751 120.444 121.223 -0.047 0.000 2.093 376 L HA -0.170 4.172 4.340 0.002 0.000 0.208 376 L C 2.554 179.445 176.870 0.035 0.000 1.085 376 L CA 0.905 55.741 54.840 -0.007 0.000 0.755 376 L CB -0.637 41.385 42.059 -0.063 0.000 0.904 376 L HN 0.120 nan 8.230 nan 0.000 0.435 377 Q N -0.177 119.616 119.800 -0.011 0.000 2.167 377 Q HA -0.162 4.179 4.340 0.002 0.000 0.202 377 Q C 1.498 177.688 176.000 0.316 0.000 0.970 377 Q CA 1.314 57.190 55.803 0.123 0.000 0.855 377 Q CB 0.005 28.793 28.738 0.083 0.000 0.911 377 Q HN 0.720 nan 8.270 nan 0.000 0.438 378 Y N -0.560 119.913 120.300 0.288 0.000 2.584 378 Y HA 0.277 4.829 4.550 0.002 0.000 0.254 378 Y C 1.521 177.501 175.900 0.133 0.000 1.177 378 Y CA -0.432 57.788 58.100 0.200 0.000 1.216 378 Y CB -0.865 37.673 38.460 0.129 0.000 1.172 378 Y HN 0.064 nan 8.280 nan 0.000 0.529 379 Q N 0.685 120.749 119.800 0.440 0.000 2.437 379 Q HA -0.182 4.159 4.340 0.002 0.000 0.210 379 Q C 1.217 177.385 176.000 0.279 0.000 0.972 379 Q CA 1.711 57.718 55.803 0.341 0.000 0.903 379 Q CB -0.837 28.042 28.738 0.235 0.000 0.967 379 Q HN 0.733 nan 8.270 nan 0.000 0.486 380 H N -0.807 118.378 119.070 0.191 0.000 2.551 380 H HA 0.193 4.750 4.556 0.002 0.000 0.266 380 H C 0.118 175.530 175.328 0.140 0.000 0.964 380 H CA -0.158 55.976 56.048 0.144 0.000 1.180 380 H CB 0.056 29.892 29.762 0.124 0.000 1.408 380 H HN 0.140 nan 8.280 nan 0.000 0.563 381 Q N 2.620 122.203 119.800 -0.362 0.000 2.417 381 Q HA 0.209 4.550 4.340 0.002 0.000 0.241 381 Q C -2.062 173.909 176.000 -0.049 0.000 1.008 381 Q CA -1.786 53.888 55.803 -0.216 0.000 0.901 381 Q CB 0.638 29.282 28.738 -0.157 0.000 1.259 381 Q HN 0.321 nan 8.270 nan 0.000 0.489 382 P HA -0.094 nan 4.420 nan 0.000 0.267 382 P C 0.528 177.767 177.300 -0.102 0.000 1.200 382 P CA 0.073 63.114 63.100 -0.099 0.000 0.772 382 P CB 0.315 31.867 31.700 -0.247 0.000 0.855 383 F N 3.908 123.746 119.950 -0.187 0.000 2.063 383 F HA -0.303 4.226 4.527 0.002 0.000 0.298 383 F C 1.907 177.567 175.800 -0.234 0.000 1.105 383 F CA 2.636 60.523 58.000 -0.188 0.000 1.215 383 F CB -0.958 37.902 39.000 -0.234 0.000 0.972 383 F HN 0.130 nan 8.300 nan 0.000 0.483 384 V N -2.171 117.543 119.914 -0.332 0.000 2.720 384 V HA -0.264 3.857 4.120 0.002 0.000 0.256 384 V C 1.711 177.609 176.094 -0.327 0.000 1.082 384 V CA 1.585 63.629 62.300 -0.428 0.000 1.101 384 V CB -1.596 30.007 31.823 -0.368 0.000 0.693 384 V HN 0.438 nan 8.190 nan 0.000 0.479 385 Y N 0.737 120.833 120.300 -0.340 0.000 2.466 385 Y HA 0.410 4.962 4.550 0.002 0.000 0.272 385 Y C 1.702 177.276 175.900 -0.544 0.000 1.169 385 Y CA -0.830 57.059 58.100 -0.352 0.000 1.285 385 Y CB -0.359 37.952 38.460 -0.249 0.000 1.078 385 Y HN 0.281 nan 8.280 nan 0.000 0.523 386 R N 0.596 120.817 120.500 -0.467 0.000 4.164 386 R HA 0.244 4.585 4.340 0.002 0.000 0.195 386 R C 0.092 175.853 176.300 -0.897 0.000 1.712 386 R CA 0.156 55.789 56.100 -0.778 0.000 1.457 386 R CB -0.091 30.116 30.300 -0.157 0.000 1.387 386 R HN -0.007 nan 8.270 nan 0.000 0.785 387 T N -1.441 112.459 114.554 -1.090 0.000 2.718 387 T HA 0.400 4.751 4.350 0.002 0.000 0.306 387 T C -0.310 174.141 174.700 -0.415 0.000 1.485 387 T CA -0.439 61.371 62.100 -0.483 0.000 0.997 387 T CB 1.265 69.971 68.868 -0.270 0.000 1.504 387 T HN 0.428 nan 8.240 nan 0.000 0.497 388 G N 0.555 109.293 108.800 -0.103 0.000 2.554 388 G HA2 0.462 4.424 3.960 0.002 0.000 0.238 388 G HA3 0.462 4.424 3.960 0.002 0.000 0.238 388 G C 1.350 176.167 174.900 -0.138 0.000 1.259 388 G CA 0.208 45.190 45.100 -0.198 0.000 0.843 388 G HN 1.087 nan 8.290 nan 0.000 0.582 389 A N 1.898 124.661 122.820 -0.094 0.000 1.917 389 A HA -0.019 4.303 4.320 0.002 0.000 0.219 389 A C 1.320 178.719 177.584 -0.309 0.000 1.182 389 A CA 2.066 53.931 52.037 -0.287 0.000 0.633 389 A CB -0.552 18.096 19.000 -0.586 0.000 0.819 389 A HN 1.055 nan 8.150 nan 0.000 0.448 390 N N -4.044 114.457 118.700 -0.332 0.000 2.647 390 N HA 0.453 5.194 4.740 0.002 0.000 0.266 390 N C -2.913 172.559 175.510 -0.065 0.000 1.373 390 N CA -1.912 50.989 53.050 -0.248 0.000 0.807 390 N CB 0.634 38.905 38.487 -0.360 0.000 1.513 390 N HN -0.263 nan 8.380 nan 0.000 0.505 391 P HA -0.008 nan 4.420 nan 0.000 0.218 391 P C 1.254 178.622 177.300 0.114 0.000 1.148 391 P CA 1.932 64.990 63.100 -0.070 0.000 0.822 391 P CB -0.085 31.480 31.700 -0.225 0.000 0.784 392 G N -1.685 107.254 108.800 0.232 0.000 2.422 392 G HA2 -0.230 3.731 3.960 0.002 0.000 0.218 392 G HA3 -0.230 3.731 3.960 0.002 0.000 0.218 392 G C 1.326 176.416 174.900 0.318 0.000 1.140 392 G CA 0.191 45.438 45.100 0.245 0.000 0.775 392 G HN 0.213 nan 8.290 nan 0.000 0.545 393 F N -0.099 119.958 119.950 0.178 0.000 2.134 393 F HA -0.082 4.446 4.527 0.002 0.000 0.299 393 F C 2.731 178.740 175.800 0.349 0.000 1.097 393 F CA 1.222 59.399 58.000 0.295 0.000 1.264 393 F CB -0.106 39.100 39.000 0.344 0.000 1.001 393 F HN 0.127 nan 8.300 nan 0.000 0.479 394 H N 0.491 119.863 119.070 0.504 0.000 2.387 394 H HA -0.115 4.443 4.556 0.002 0.000 0.299 394 H C 1.990 177.438 175.328 0.200 0.000 1.090 394 H CA 1.512 57.820 56.048 0.434 0.000 1.332 394 H CB 0.016 29.938 29.762 0.267 0.000 1.386 394 H HN 0.230 nan 8.280 nan 0.000 0.516 395 E N -0.009 120.381 120.200 0.317 0.000 2.274 395 E HA -0.012 4.339 4.350 0.002 0.000 0.194 395 E C 2.170 178.820 176.600 0.084 0.000 0.996 395 E CA 0.649 57.172 56.400 0.205 0.000 0.840 395 E CB -0.069 29.752 29.700 0.201 0.000 0.772 395 E HN 0.440 nan 8.360 nan 0.000 0.491 396 A N 0.889 123.756 122.820 0.078 0.000 1.975 396 A HA -0.025 4.297 4.320 0.002 0.000 0.215 396 A C 2.513 180.072 177.584 -0.042 0.000 1.170 396 A CA 0.571 52.624 52.037 0.027 0.000 0.656 396 A CB -0.372 18.684 19.000 0.094 0.000 0.821 396 A HN 0.095 nan 8.150 nan 0.000 0.449 397 V N 0.297 120.155 119.914 -0.094 0.000 2.231 397 V HA -0.268 3.854 4.120 0.002 0.000 0.248 397 V C 2.813 178.789 176.094 -0.197 0.000 1.054 397 V CA 2.280 64.495 62.300 -0.141 0.000 1.015 397 V CB -1.599 30.076 31.823 -0.246 0.000 0.638 397 V HN 0.556 nan 8.190 nan 0.000 0.444 398 G N -0.825 107.823 108.800 -0.253 0.000 2.422 398 G HA2 -0.220 3.741 3.960 0.002 0.000 0.218 398 G HA3 -0.220 3.741 3.960 0.002 0.000 0.218 398 G C 1.160 175.932 174.900 -0.214 0.000 1.140 398 G CA 0.939 45.917 45.100 -0.203 0.000 0.775 398 G HN 0.528 nan 8.290 nan 0.000 0.545 399 D N 0.056 120.338 120.400 -0.196 0.000 2.219 399 D HA -0.054 4.588 4.640 0.002 0.000 0.205 399 D C 2.690 178.738 176.300 -0.420 0.000 0.970 399 D CA 0.286 54.110 54.000 -0.293 0.000 0.851 399 D CB -0.057 40.556 40.800 -0.311 0.000 0.943 399 D HN 0.203 nan 8.370 nan 0.000 0.488 400 V N 0.785 120.522 119.914 -0.295 0.000 2.343 400 V HA -0.203 3.918 4.120 0.002 0.000 0.247 400 V C 2.469 178.404 176.094 -0.265 0.000 1.051 400 V CA 1.118 63.297 62.300 -0.202 0.000 1.036 400 V CB -0.386 31.512 31.823 0.126 0.000 0.654 400 V HN 0.274 nan 8.190 nan 0.000 0.451 401 L N -0.491 120.477 121.223 -0.425 0.000 2.072 401 L HA -0.102 4.239 4.340 0.002 0.000 0.205 401 L C 2.638 179.074 176.870 -0.723 0.000 1.079 401 L CA 1.560 55.977 54.840 -0.706 0.000 0.752 401 L CB -0.943 40.498 42.059 -1.030 0.000 0.906 401 L HN 0.308 nan 8.230 nan 0.000 0.436 402 S N 0.440 115.782 115.700 -0.597 0.000 2.387 402 S HA -0.158 4.313 4.470 0.002 0.000 0.230 402 S C 2.044 176.196 174.600 -0.746 0.000 1.035 402 S CA 1.214 59.029 58.200 -0.643 0.000 1.014 402 S CB -0.304 62.584 63.200 -0.521 0.000 0.836 402 S HN 0.287 nan 8.310 nan 0.000 0.466 403 L N 0.574 121.366 121.223 -0.719 0.000 2.079 403 L HA -0.122 4.220 4.340 0.002 0.000 0.210 403 L C 2.558 179.140 176.870 -0.480 0.000 1.081 403 L CA 1.002 55.365 54.840 -0.795 0.000 0.752 403 L CB -0.423 40.835 42.059 -1.335 0.000 0.896 403 L HN 0.265 nan 8.230 nan 0.000 0.433 404 S N -0.928 114.615 115.700 -0.263 0.000 2.371 404 S HA -0.107 4.365 4.470 0.002 0.000 0.224 404 S C 1.957 176.475 174.600 -0.138 0.000 1.029 404 S CA 0.853 59.049 58.200 -0.006 0.000 0.978 404 S CB 0.024 63.328 63.200 0.172 0.000 0.833 404 S HN 0.150 nan 8.310 nan 0.000 0.466 405 V N 2.454 122.144 119.914 -0.373 0.000 2.490 405 V HA -0.148 3.973 4.120 0.002 0.000 0.250 405 V C 2.535 178.621 176.094 -0.014 0.000 1.061 405 V CA 1.910 64.007 62.300 -0.338 0.000 1.064 405 V CB -0.920 30.607 31.823 -0.494 0.000 0.670 405 V HN 0.693 nan 8.190 nan 0.000 0.461 406 S N 0.146 115.751 115.700 -0.158 0.000 2.489 406 S HA -0.069 4.402 4.470 0.002 0.000 0.228 406 S C 1.225 175.830 174.600 0.009 0.000 0.995 406 S CA 0.651 58.817 58.200 -0.057 0.000 0.934 406 S CB -0.917 62.015 63.200 -0.446 0.000 0.771 406 S HN 0.735 nan 8.310 nan 0.000 0.522 407 T N 0.161 114.719 114.554 0.007 0.000 2.926 407 T HA 0.281 4.632 4.350 0.002 0.000 0.307 407 T C -1.838 172.859 174.700 -0.005 0.000 1.059 407 T CA -1.218 60.899 62.100 0.029 0.000 1.122 407 T CB 0.557 69.473 68.868 0.080 0.000 0.972 407 T HN -0.041 nan 8.240 nan 0.000 0.545 408 P HA -0.113 nan 4.420 nan 0.000 0.216 408 P C 1.609 178.837 177.300 -0.120 0.000 1.150 408 P CA 1.093 64.033 63.100 -0.266 0.000 0.843 408 P CB 0.065 31.515 31.700 -0.417 0.000 0.787 409 K N -0.861 119.530 120.400 -0.015 0.000 2.015 409 K HA -0.285 4.037 4.320 0.002 0.000 0.216 409 K C 2.204 178.818 176.600 0.024 0.000 1.052 409 K CA 1.951 58.253 56.287 0.024 0.000 0.937 409 K CB -0.629 31.910 32.500 0.066 0.000 0.719 409 K HN 0.141 nan 8.250 nan 0.000 0.446 410 H N -0.017 119.043 119.070 -0.015 0.000 2.357 410 H HA 0.022 4.579 4.556 0.002 0.000 0.301 410 H C 1.914 177.214 175.328 -0.047 0.000 1.082 410 H CA 1.732 57.767 56.048 -0.022 0.000 1.342 410 H CB 0.016 29.805 29.762 0.045 0.000 1.389 410 H HN 0.162 nan 8.280 nan 0.000 0.511 411 L N 0.121 121.346 121.223 0.004 0.000 2.201 411 L HA -0.102 4.239 4.340 0.002 0.000 0.212 411 L C 2.274 179.075 176.870 -0.116 0.000 1.105 411 L CA 1.169 55.980 54.840 -0.049 0.000 0.775 411 L CB -0.257 41.783 42.059 -0.033 0.000 0.913 411 L HN 0.430 nan 8.230 nan 0.000 0.440 412 E N 0.245 120.373 120.200 -0.120 0.000 2.072 412 E HA -0.206 4.145 4.350 0.002 0.000 0.191 412 E C 2.112 178.641 176.600 -0.117 0.000 0.985 412 E CA 0.902 57.244 56.400 -0.096 0.000 0.801 412 E CB 0.045 29.708 29.700 -0.061 0.000 0.750 412 E HN 0.445 nan 8.360 nan 0.000 0.452 413 K N 0.782 121.073 120.400 -0.183 0.000 2.103 413 K HA -0.140 4.181 4.320 0.002 0.000 0.207 413 K C 2.136 178.595 176.600 -0.235 0.000 1.048 413 K CA 1.377 57.526 56.287 -0.230 0.000 0.930 413 K CB -0.248 32.041 32.500 -0.352 0.000 0.716 413 K HN 0.313 nan 8.250 nan 0.000 0.444 414 I N -3.175 117.238 120.570 -0.262 0.000 3.861 414 I HA 0.289 4.461 4.170 0.002 0.000 0.329 414 I C 0.641 176.728 176.117 -0.051 0.000 1.321 414 I CA 0.140 61.345 61.300 -0.158 0.000 1.126 414 I CB 0.040 37.953 38.000 -0.145 0.000 1.018 414 I HN 0.161 nan 8.210 nan 0.000 0.407 415 G N 2.200 110.961 108.800 -0.065 0.000 2.179 415 G HA2 -0.266 3.695 3.960 0.002 0.000 0.257 415 G HA3 -0.266 3.695 3.960 0.002 0.000 0.257 415 G C 0.546 175.428 174.900 -0.030 0.000 1.010 415 G CA 0.650 45.731 45.100 -0.032 0.000 0.736 415 G HN 0.517 nan 8.290 nan 0.000 0.513 416 L N -1.556 119.635 121.223 -0.054 0.000 2.463 416 L HA 0.412 4.753 4.340 0.002 0.000 0.219 416 L C 0.982 177.809 176.870 -0.073 0.000 1.088 416 L CA 0.125 54.914 54.840 -0.084 0.000 0.849 416 L CB 0.267 42.257 42.059 -0.115 0.000 1.012 416 L HN 0.281 nan 8.230 nan 0.000 0.468 417 L N 0.967 122.151 121.223 -0.065 0.000 2.319 417 L HA 0.407 4.748 4.340 0.002 0.000 0.281 417 L C -0.671 176.193 176.870 -0.011 0.000 1.005 417 L CA -0.140 54.666 54.840 -0.056 0.000 0.828 417 L CB 1.046 43.024 42.059 -0.135 0.000 1.227 417 L HN -0.088 nan 8.230 nan 0.000 0.415 418 K N 4.005 124.421 120.400 0.026 0.000 2.259 418 K HA 0.469 4.791 4.320 0.002 0.000 0.249 418 K C -0.743 175.906 176.600 0.081 0.000 0.942 418 K CA -0.831 55.482 56.287 0.042 0.000 0.816 418 K CB 1.476 33.989 32.500 0.022 0.000 1.155 418 K HN 0.576 nan 8.250 nan 0.000 0.428 419 D N 1.110 121.554 120.400 0.074 0.000 2.723 419 D HA -0.246 4.396 4.640 0.002 0.000 0.236 419 D C -0.997 175.362 176.300 0.098 0.000 1.138 419 D CA 1.087 55.126 54.000 0.066 0.000 0.676 419 D CB -1.196 39.627 40.800 0.038 0.000 1.069 419 D HN 0.454 nan 8.370 nan 0.000 0.430 420 Y N 0.164 120.461 120.300 -0.005 0.000 2.326 420 Y HA 0.400 4.951 4.550 0.002 0.000 0.337 420 Y C -0.197 175.699 175.900 -0.008 0.000 1.023 420 Y CA -0.617 57.481 58.100 -0.004 0.000 1.143 420 Y CB 1.046 39.506 38.460 0.001 0.000 1.183 420 Y HN -0.139 nan 8.280 nan 0.000 0.485 421 V N 8.119 127.774 119.914 -0.432 0.000 2.328 421 V HA 0.340 4.461 4.120 0.002 0.000 0.278 421 V C 0.157 175.936 176.094 -0.526 0.000 1.021 421 V CA -0.876 61.228 62.300 -0.328 0.000 0.838 421 V CB 1.168 32.864 31.823 -0.212 0.000 0.999 421 V HN 0.709 nan 8.190 nan 0.000 0.447 422 R N 3.719 124.061 120.500 -0.263 0.000 4.138 422 R HA 0.160 4.501 4.340 0.002 0.000 0.206 422 R C -0.085 176.146 176.300 -0.114 0.000 1.667 422 R CA -0.419 55.598 56.100 -0.140 0.000 1.481 422 R CB -0.245 30.138 30.300 0.139 0.000 1.388 422 R HN 0.933 nan 8.270 nan 0.000 0.776 423 D N -0.514 119.777 120.400 -0.181 0.000 2.447 423 D HA 0.015 4.657 4.640 0.002 0.000 0.265 423 D C 0.466 176.673 176.300 -0.156 0.000 1.250 423 D CA -0.526 53.383 54.000 -0.150 0.000 1.046 423 D CB 0.566 41.265 40.800 -0.168 0.000 1.095 423 D HN -0.029 nan 8.370 nan 0.000 0.555 424 D N -0.795 119.507 120.400 -0.164 0.000 2.149 424 D HA -0.147 4.495 4.640 0.002 0.000 0.198 424 D C 1.645 177.771 176.300 -0.290 0.000 0.990 424 D CA 1.294 55.188 54.000 -0.176 0.000 0.839 424 D CB -0.039 40.672 40.800 -0.148 0.000 0.948 424 D HN 0.563 nan 8.370 nan 0.000 0.460 425 E N 0.145 120.074 120.200 -0.452 0.000 2.076 425 E HA 0.001 4.352 4.350 0.002 0.000 0.190 425 E C 2.115 178.512 176.600 -0.339 0.000 0.979 425 E CA 0.735 56.670 56.400 -0.776 0.000 0.807 425 E CB -0.024 28.970 29.700 -1.176 0.000 0.761 425 E HN 0.185 nan 8.360 nan 0.000 0.454 426 A N 1.816 124.496 122.820 -0.232 0.000 1.933 426 A HA -0.209 4.113 4.320 0.002 0.000 0.218 426 A C 2.113 179.703 177.584 0.009 0.000 1.175 426 A CA 1.309 53.284 52.037 -0.103 0.000 0.628 426 A CB -0.442 18.409 19.000 -0.249 0.000 0.814 426 A HN 0.055 nan 8.150 nan 0.000 0.444 427 R N -0.375 120.103 120.500 -0.036 0.000 2.081 427 R HA -0.110 4.231 4.340 0.002 0.000 0.235 427 R C 1.834 178.134 176.300 -0.001 0.000 1.131 427 R CA 1.626 57.729 56.100 0.005 0.000 0.960 427 R CB -0.299 29.985 30.300 -0.027 0.000 0.856 427 R HN 0.446 nan 8.270 nan 0.000 0.436 428 I N 1.860 122.380 120.570 -0.083 0.000 2.226 428 I HA -0.256 3.915 4.170 0.002 0.000 0.245 428 I C 1.775 177.879 176.117 -0.022 0.000 1.100 428 I CA 1.267 62.479 61.300 -0.147 0.000 1.374 428 I CB -1.508 36.208 38.000 -0.474 0.000 1.057 428 I HN 0.200 nan 8.210 nan 0.000 0.413 429 N N 0.849 119.580 118.700 0.053 0.000 2.104 429 N HA -0.249 4.492 4.740 0.002 0.000 0.190 429 N C 1.859 177.495 175.510 0.209 0.000 1.024 429 N CA 1.349 54.483 53.050 0.140 0.000 0.853 429 N CB -0.388 38.192 38.487 0.154 0.000 1.008 429 N HN 0.409 nan 8.380 nan 0.000 0.424 430 Q N 0.594 120.503 119.800 0.182 0.000 2.083 430 Q HA 0.105 4.446 4.340 0.002 0.000 0.198 430 Q C 2.036 178.165 176.000 0.216 0.000 0.969 430 Q CA 1.021 56.937 55.803 0.189 0.000 0.838 430 Q CB -0.368 28.468 28.738 0.162 0.000 0.900 430 Q HN 0.365 nan 8.270 nan 0.000 0.436 431 L N -0.533 120.815 121.223 0.209 0.000 2.046 431 L HA -0.138 4.203 4.340 0.002 0.000 0.208 431 L C 2.193 179.305 176.870 0.402 0.000 1.077 431 L CA 1.363 56.382 54.840 0.298 0.000 0.747 431 L CB -0.471 41.725 42.059 0.229 0.000 0.896 431 L HN 0.284 nan 8.230 nan 0.000 0.432 432 F N -0.076 119.981 119.950 0.178 0.000 2.102 432 F HA -0.289 4.239 4.527 0.002 0.000 0.298 432 F C 2.300 178.212 175.800 0.187 0.000 1.105 432 F CA 1.388 59.487 58.000 0.165 0.000 1.239 432 F CB -0.031 39.028 39.000 0.098 0.000 0.991 432 F HN -0.042 nan 8.300 nan 0.000 0.474 433 L N 0.180 121.586 121.223 0.304 0.000 2.012 433 L HA -0.227 4.115 4.340 0.002 0.000 0.210 433 L C 2.281 179.240 176.870 0.149 0.000 1.073 433 L CA 2.559 57.527 54.840 0.214 0.000 0.748 433 L CB -1.356 40.837 42.059 0.222 0.000 0.891 433 L HN 0.167 nan 8.230 nan 0.000 0.431 434 T N -0.005 114.673 114.554 0.206 0.000 2.684 434 T HA -0.190 4.161 4.350 0.002 0.000 0.267 434 T C 1.913 176.745 174.700 0.220 0.000 1.036 434 T CA 1.472 63.710 62.100 0.230 0.000 1.148 434 T CB -0.694 68.381 68.868 0.345 0.000 0.863 434 T HN 0.539 nan 8.240 nan 0.000 0.436 435 A N 1.289 124.210 122.820 0.168 0.000 1.933 435 A HA 0.012 4.333 4.320 0.002 0.000 0.218 435 A C 2.278 179.696 177.584 -0.277 0.000 1.175 435 A CA 1.143 53.012 52.037 -0.280 0.000 0.628 435 A CB -0.898 17.840 19.000 -0.437 0.000 0.814 435 A HN 0.503 nan 8.150 nan 0.000 0.444 436 L N -0.817 120.264 121.223 -0.237 0.000 2.265 436 L HA -0.178 4.163 4.340 0.002 0.000 0.215 436 L C 1.692 178.503 176.870 -0.099 0.000 1.117 436 L CA 1.221 55.950 54.840 -0.184 0.000 0.782 436 L CB -0.397 41.645 42.059 -0.028 0.000 0.914 436 L HN 0.304 nan 8.230 nan 0.000 0.441 437 D N -0.871 119.523 120.400 -0.010 0.000 2.259 437 D HA -0.049 4.592 4.640 0.002 0.000 0.216 437 D C 2.195 178.596 176.300 0.168 0.000 0.961 437 D CA 0.756 54.793 54.000 0.062 0.000 0.878 437 D CB 0.269 41.106 40.800 0.061 0.000 1.009 437 D HN 0.036 nan 8.370 nan 0.000 0.490 438 K N 0.217 120.704 120.400 0.144 0.000 2.202 438 K HA 0.146 4.468 4.320 0.002 0.000 0.201 438 K C 1.920 178.642 176.600 0.204 0.000 1.051 438 K CA 0.231 56.704 56.287 0.309 0.000 0.977 438 K CB 0.389 33.084 32.500 0.324 0.000 0.792 438 K HN 0.128 nan 8.250 nan 0.000 0.469 439 I N 0.869 121.366 120.570 -0.121 0.000 2.339 439 I HA -0.109 4.062 4.170 0.002 0.000 0.245 439 I C 2.356 178.430 176.117 -0.072 0.000 1.096 439 I CA 0.679 61.881 61.300 -0.163 0.000 1.408 439 I CB -1.008 36.780 38.000 -0.353 0.000 1.092 439 I HN -0.230 nan 8.210 nan 0.000 0.423 440 V N 1.136 120.958 119.914 -0.154 0.000 2.380 440 V HA -0.314 3.807 4.120 0.002 0.000 0.251 440 V C 2.431 178.391 176.094 -0.223 0.000 1.063 440 V CA 1.907 64.022 62.300 -0.308 0.000 1.055 440 V CB -0.814 30.487 31.823 -0.870 0.000 0.657 440 V HN 0.295 nan 8.190 nan 0.000 0.455 441 F N 0.061 119.872 119.950 -0.231 0.000 2.269 441 F HA -0.126 4.402 4.527 0.002 0.000 0.301 441 F C 1.934 177.644 175.800 -0.150 0.000 1.082 441 F CA 1.317 59.195 58.000 -0.203 0.000 1.360 441 F CB -0.172 38.610 39.000 -0.363 0.000 1.041 441 F HN 0.061 nan 8.300 nan 0.000 0.512 442 L N 0.939 122.097 121.223 -0.109 0.000 1.989 442 L HA -0.177 4.164 4.340 0.002 0.000 0.211 442 L C -0.243 176.515 176.870 -0.188 0.000 1.071 442 L CA 1.464 56.237 54.840 -0.112 0.000 0.749 442 L CB -2.472 39.641 42.059 0.089 0.000 0.890 442 L HN 0.087 nan 8.230 nan 0.000 0.431 443 P HA -0.231 nan 4.420 nan 0.000 0.217 443 P C 1.685 178.819 177.300 -0.275 0.000 1.150 443 P CA 1.477 64.472 63.100 -0.176 0.000 0.832 443 P CB -0.155 31.486 31.700 -0.099 0.000 0.787 444 F N 1.787 121.500 119.950 -0.395 0.000 2.069 444 F HA -0.183 4.345 4.527 0.002 0.000 0.298 444 F C 2.340 177.818 175.800 -0.536 0.000 1.113 444 F CA 2.072 59.824 58.000 -0.413 0.000 1.214 444 F CB -1.028 37.748 39.000 -0.373 0.000 0.978 444 F HN -0.077 nan 8.300 nan 0.000 0.474 445 A N 0.151 122.543 122.820 -0.713 0.000 1.908 445 A HA -0.212 4.110 4.320 0.002 0.000 0.218 445 A C 2.195 179.531 177.584 -0.413 0.000 1.181 445 A CA 1.594 53.279 52.037 -0.587 0.000 0.627 445 A CB -1.538 17.066 19.000 -0.660 0.000 0.818 445 A HN 0.517 nan 8.150 nan 0.000 0.445 446 F N 1.892 121.462 119.950 -0.633 0.000 2.134 446 F HA -0.153 4.376 4.527 0.002 0.000 0.299 446 F C 2.870 178.190 175.800 -0.800 0.000 1.097 446 F CA 1.898 59.478 58.000 -0.700 0.000 1.264 446 F CB -1.085 37.386 39.000 -0.881 0.000 1.001 446 F HN 0.428 nan 8.300 nan 0.000 0.479 447 T N -2.366 111.785 114.554 -0.672 0.000 2.867 447 T HA -0.190 4.162 4.350 0.002 0.000 0.268 447 T C 2.047 176.367 174.700 -0.635 0.000 1.057 447 T CA 1.148 62.812 62.100 -0.727 0.000 1.136 447 T CB -0.372 68.095 68.868 -0.667 0.000 0.874 447 T HN 0.057 nan 8.240 nan 0.000 0.466 448 M N 1.922 121.086 119.600 -0.727 0.000 2.080 448 M HA -0.062 4.419 4.480 0.002 0.000 0.260 448 M C 1.670 177.737 176.300 -0.388 0.000 1.068 448 M CA 1.615 56.549 55.300 -0.611 0.000 1.109 448 M CB -1.205 30.828 32.600 -0.945 0.000 1.342 448 M HN 0.264 nan 8.290 nan 0.000 0.405 449 D N -0.329 119.776 120.400 -0.491 0.000 2.240 449 D HA -0.013 4.628 4.640 0.002 0.000 0.206 449 D C 2.024 177.630 176.300 -1.156 0.000 0.963 449 D CA 0.699 54.260 54.000 -0.731 0.000 0.863 449 D CB -0.022 40.321 40.800 -0.761 0.000 0.973 449 D HN 0.286 nan 8.370 nan 0.000 0.501 450 K N -0.201 119.634 120.400 -0.941 0.000 2.063 450 K HA -0.204 4.118 4.320 0.002 0.000 0.208 450 K C 1.999 178.415 176.600 -0.307 0.000 1.048 450 K CA 0.957 56.875 56.287 -0.614 0.000 0.928 450 K CB -0.217 31.888 32.500 -0.658 0.000 0.713 450 K HN 0.175 nan 8.250 nan 0.000 0.442 451 Y N 1.796 121.843 120.300 -0.422 0.000 2.089 451 Y HA -0.221 4.330 4.550 0.002 0.000 0.282 451 Y C 2.140 177.852 175.900 -0.313 0.000 1.139 451 Y CA 1.570 59.492 58.100 -0.297 0.000 1.123 451 Y CB -0.137 38.189 38.460 -0.224 0.000 0.980 451 Y HN -0.090 nan 8.280 nan 0.000 0.493 452 R N -1.183 119.050 120.500 -0.446 0.000 2.096 452 R HA -0.215 4.126 4.340 0.002 0.000 0.235 452 R C 2.096 177.925 176.300 -0.786 0.000 1.127 452 R CA 1.532 57.182 56.100 -0.751 0.000 0.968 452 R CB -0.669 29.338 30.300 -0.489 0.000 0.861 452 R HN 0.416 nan 8.270 nan 0.000 0.440 453 W N 0.987 122.047 121.300 -0.400 0.000 2.338 453 W HA -0.176 4.485 4.660 0.002 0.000 0.304 453 W C 2.668 179.055 176.519 -0.220 0.000 1.212 453 W CA 1.415 58.644 57.345 -0.193 0.000 1.264 453 W CB -1.405 28.036 29.460 -0.032 0.000 1.142 453 W HN 0.197 nan 8.180 nan 0.000 0.512 454 S N 0.074 115.749 115.700 -0.041 0.000 2.382 454 S HA -0.155 4.316 4.470 0.002 0.000 0.228 454 S C 1.951 176.435 174.600 -0.192 0.000 1.027 454 S CA 1.415 59.561 58.200 -0.090 0.000 0.991 454 S CB -0.884 62.260 63.200 -0.095 0.000 0.823 454 S HN 0.261 nan 8.310 nan 0.000 0.469 455 L N -0.514 120.435 121.223 -0.457 0.000 2.072 455 L HA 0.085 4.426 4.340 0.002 0.000 0.205 455 L C 2.608 179.383 176.870 -0.158 0.000 1.079 455 L CA 1.344 55.884 54.840 -0.499 0.000 0.752 455 L CB -0.802 40.649 42.059 -1.013 0.000 0.906 455 L HN 0.285 nan 8.230 nan 0.000 0.436 456 F N 0.505 120.323 119.950 -0.221 0.000 2.126 456 F HA -0.217 4.312 4.527 0.002 0.000 0.299 456 F C 2.618 178.351 175.800 -0.112 0.000 1.096 456 F CA 0.767 58.650 58.000 -0.196 0.000 1.255 456 F CB -0.194 38.663 39.000 -0.238 0.000 0.997 456 F HN -0.002 nan 8.300 nan 0.000 0.479 457 R N 0.220 120.790 120.500 0.117 0.000 2.307 457 R HA 0.060 4.401 4.340 0.002 0.000 0.199 457 R C 1.255 177.592 176.300 0.061 0.000 1.000 457 R CA 0.562 56.702 56.100 0.067 0.000 1.023 457 R CB -0.325 30.008 30.300 0.054 0.000 0.908 457 R HN 0.372 nan 8.270 nan 0.000 0.473 458 G N 1.472 110.317 108.800 0.076 0.000 2.198 458 G HA2 -0.293 3.668 3.960 0.002 0.000 0.257 458 G HA3 -0.293 3.668 3.960 0.002 0.000 0.257 458 G C 0.281 175.239 174.900 0.097 0.000 1.042 458 G CA 0.391 45.553 45.100 0.102 0.000 0.791 458 G HN 0.465 nan 8.290 nan 0.000 0.502 459 E N -1.391 118.857 120.200 0.079 0.000 2.447 459 E HA 0.251 4.602 4.350 0.002 0.000 0.195 459 E C 0.602 177.266 176.600 0.107 0.000 1.028 459 E CA 0.487 56.932 56.400 0.076 0.000 0.876 459 E CB 0.761 30.494 29.700 0.054 0.000 0.885 459 E HN 0.394 nan 8.360 nan 0.000 0.500 460 V N 2.358 122.365 119.914 0.154 0.000 2.487 460 V HA 0.142 4.263 4.120 0.002 0.000 0.298 460 V C -0.435 175.898 176.094 0.399 0.000 1.028 460 V CA -1.102 61.347 62.300 0.248 0.000 0.860 460 V CB 1.825 33.779 31.823 0.218 0.000 0.991 460 V HN -0.000 nan 8.190 nan 0.000 0.427 461 D N 3.255 123.820 120.400 0.275 0.000 2.414 461 D HA 0.129 4.770 4.640 0.002 0.000 0.242 461 D C 1.067 177.416 176.300 0.082 0.000 1.129 461 D CA -0.067 54.034 54.000 0.169 0.000 0.885 461 D CB 1.464 42.317 40.800 0.089 0.000 1.198 461 D HN 0.453 nan 8.370 nan 0.000 0.437 462 K N 1.301 121.532 120.400 -0.282 0.000 2.160 462 K HA -0.189 4.132 4.320 0.002 0.000 0.206 462 K C 1.699 178.041 176.600 -0.430 0.000 1.047 462 K CA 1.246 56.986 56.287 -0.912 0.000 0.930 462 K CB 0.003 32.016 32.500 -0.811 0.000 0.720 462 K HN 0.416 nan 8.250 nan 0.000 0.450 463 A N 1.181 123.911 122.820 -0.150 0.000 2.121 463 A HA -0.128 4.194 4.320 0.002 0.000 0.218 463 A C 1.047 178.689 177.584 0.096 0.000 1.154 463 A CA 1.321 53.343 52.037 -0.024 0.000 0.679 463 A CB -0.298 18.701 19.000 -0.002 0.000 0.795 463 A HN 0.400 nan 8.150 nan 0.000 0.458 464 N N -2.139 116.672 118.700 0.185 0.000 2.204 464 N HA 0.077 4.818 4.740 0.002 0.000 0.219 464 N C 0.501 176.295 175.510 0.473 0.000 1.151 464 N CA -0.379 52.843 53.050 0.287 0.000 0.867 464 N CB 0.193 38.826 38.487 0.243 0.000 1.043 464 N HN 0.507 nan 8.380 nan 0.000 0.516 465 W N 1.417 122.867 121.300 0.250 0.000 2.358 465 W HA 0.010 4.671 4.660 0.002 0.000 0.303 465 W C 2.144 178.938 176.519 0.458 0.000 1.208 465 W CA 0.697 58.271 57.345 0.381 0.000 1.274 465 W CB -0.763 28.960 29.460 0.438 0.000 1.138 465 W HN 0.201 nan 8.180 nan 0.000 0.515 466 N N -0.936 118.134 118.700 0.616 0.000 2.171 466 N HA -0.121 4.620 4.740 0.002 0.000 0.184 466 N C 1.600 177.325 175.510 0.359 0.000 1.021 466 N CA 1.797 55.092 53.050 0.408 0.000 0.854 466 N CB -0.708 38.034 38.487 0.426 0.000 0.994 466 N HN -0.086 nan 8.380 nan 0.000 0.426 467 c N -0.019 118.803 118.600 0.370 0.000 2.448 467 c HA 0.251 4.822 4.570 0.002 0.000 0.280 467 c C 2.640 176.897 174.090 0.278 0.000 1.398 467 c CA 0.350 56.882 56.329 0.339 0.000 1.774 467 c CB -1.457 41.215 42.510 0.269 0.000 1.888 467 c HN 0.532 nan 8.230 nan 0.000 0.519 468 A N -0.008 122.991 122.820 0.298 0.000 1.972 468 A HA -0.174 4.147 4.320 0.002 0.000 0.219 468 A C 1.845 179.538 177.584 0.182 0.000 1.169 468 A CA 1.435 53.635 52.037 0.271 0.000 0.635 468 A CB -0.686 18.518 19.000 0.340 0.000 0.810 468 A HN 0.550 nan 8.150 nan 0.000 0.446 469 F N -0.923 118.926 119.950 -0.168 0.000 2.084 469 F HA -0.116 4.412 4.527 0.002 0.000 0.296 469 F C 1.973 177.464 175.800 -0.516 0.000 1.111 469 F CA 1.651 59.174 58.000 -0.795 0.000 1.224 469 F CB -0.526 37.624 39.000 -1.415 0.000 0.991 469 F HN 0.375 nan 8.300 nan 0.000 0.471 470 W N 0.940 122.209 121.300 -0.053 0.000 2.425 470 W HA -0.065 4.596 4.660 0.002 0.000 0.277 470 W C 2.400 178.873 176.519 -0.076 0.000 1.231 470 W CA 0.777 58.068 57.345 -0.090 0.000 1.248 470 W CB -0.344 29.150 29.460 0.056 0.000 1.117 470 W HN -0.089 nan 8.180 nan 0.000 0.568 471 K N 0.409 120.905 120.400 0.161 0.000 2.032 471 K HA -0.183 4.138 4.320 0.002 0.000 0.209 471 K C 1.860 178.512 176.600 0.087 0.000 1.048 471 K CA 1.444 57.810 56.287 0.131 0.000 0.927 471 K CB -0.636 31.942 32.500 0.131 0.000 0.712 471 K HN 0.215 nan 8.250 nan 0.000 0.441 472 L N 0.644 121.862 121.223 -0.008 0.000 2.046 472 L HA -0.183 4.158 4.340 0.002 0.000 0.208 472 L C 2.479 179.343 176.870 -0.009 0.000 1.077 472 L CA 1.007 55.844 54.840 -0.004 0.000 0.747 472 L CB -0.306 41.642 42.059 -0.184 0.000 0.896 472 L HN 0.125 nan 8.230 nan 0.000 0.432 473 R N -0.124 120.259 120.500 -0.194 0.000 2.096 473 R HA -0.176 4.165 4.340 0.002 0.000 0.235 473 R C 1.797 178.150 176.300 0.089 0.000 1.127 473 R CA 1.467 57.511 56.100 -0.093 0.000 0.968 473 R CB -0.889 29.345 30.300 -0.110 0.000 0.861 473 R HN 0.433 nan 8.270 nan 0.000 0.440 474 D N 0.932 121.408 120.400 0.126 0.000 2.075 474 D HA -0.186 4.455 4.640 0.002 0.000 0.196 474 D C 1.757 178.242 176.300 0.308 0.000 0.985 474 D CA 1.389 55.478 54.000 0.148 0.000 0.834 474 D CB -0.128 40.779 40.800 0.177 0.000 0.987 474 D HN 0.289 nan 8.370 nan 0.000 0.452 475 E N -1.592 118.774 120.200 0.276 0.000 2.070 475 E HA -0.239 4.112 4.350 0.002 0.000 0.197 475 E C 2.116 178.837 176.600 0.202 0.000 1.004 475 E CA 1.293 57.816 56.400 0.206 0.000 0.805 475 E CB -0.158 29.538 29.700 -0.006 0.000 0.744 475 E HN 0.449 nan 8.360 nan 0.000 0.451 476 Y N -0.875 119.568 120.300 0.238 0.000 2.343 476 Y HA 0.109 4.661 4.550 0.002 0.000 0.294 476 Y C 2.558 178.653 175.900 0.326 0.000 1.122 476 Y CA 0.868 59.119 58.100 0.250 0.000 1.173 476 Y CB 0.376 38.819 38.460 -0.030 0.000 1.077 476 Y HN -0.026 nan 8.280 nan 0.000 0.542 477 S N -1.515 114.375 115.700 0.317 0.000 2.502 477 S HA 0.193 4.664 4.470 0.002 0.000 0.215 477 S C 1.434 176.019 174.600 -0.025 0.000 1.009 477 S CA 0.584 58.944 58.200 0.267 0.000 0.908 477 S CB 0.145 63.496 63.200 0.253 0.000 0.801 477 S HN 0.613 nan 8.310 nan 0.000 0.505 478 G N 2.287 110.737 108.800 -0.583 0.000 2.273 478 G HA2 -0.250 3.711 3.960 0.002 0.000 0.280 478 G HA3 -0.250 3.711 3.960 0.002 0.000 0.280 478 G C -0.113 174.480 174.900 -0.512 0.000 1.047 478 G CA 0.717 44.806 45.100 -1.684 0.000 0.869 478 G HN 0.602 nan 8.290 nan 0.000 0.502 479 I N -3.341 117.127 120.570 -0.169 0.000 2.957 479 I HA 1.046 5.217 4.170 0.002 0.000 0.310 479 I C -0.387 175.712 176.117 -0.030 0.000 1.063 479 I CA -1.784 59.491 61.300 -0.041 0.000 1.033 479 I CB 2.170 40.237 38.000 0.112 0.000 1.230 479 I HN 0.442 nan 8.210 nan 0.000 0.447 480 E N 1.674 121.811 120.200 -0.105 0.000 2.412 480 E HA 0.632 4.983 4.350 0.002 0.000 0.279 480 E C -3.137 173.169 176.600 -0.491 0.000 0.984 480 E CA -2.178 54.081 56.400 -0.236 0.000 0.788 480 E CB 1.649 31.216 29.700 -0.220 0.000 1.277 480 E HN 0.327 nan 8.360 nan 0.000 0.455 481 P HA 0.060 nan 4.420 nan 0.000 0.269 481 P C -1.888 174.785 177.300 -1.044 0.000 1.215 481 P CA -1.055 61.282 63.100 -1.270 0.000 0.780 481 P CB 0.216 31.060 31.700 -1.427 0.000 0.898 482 P HA -0.073 nan 4.420 nan 0.000 0.221 482 P C 0.196 177.061 177.300 -0.725 0.000 1.150 482 P CA 1.251 63.704 63.100 -1.077 0.000 0.800 482 P CB 0.133 30.886 31.700 -1.579 0.000 0.787 483 V N -4.272 115.217 119.914 -0.709 0.000 3.074 483 V HA 0.479 4.601 4.120 0.002 0.000 0.314 483 V C -0.026 175.851 176.094 -0.363 0.000 1.117 483 V CA -1.448 60.604 62.300 -0.413 0.000 1.014 483 V CB 1.873 33.533 31.823 -0.271 0.000 1.057 483 V HN -0.332 nan 8.190 nan 0.000 0.438 484 V N 3.861 123.642 119.914 -0.222 0.000 2.485 484 V HA 0.326 4.447 4.120 0.002 0.000 0.287 484 V C 0.554 176.580 176.094 -0.114 0.000 1.022 484 V CA 0.048 62.250 62.300 -0.164 0.000 1.067 484 V CB -0.236 31.531 31.823 -0.094 0.000 0.967 484 V HN 0.890 nan 8.190 nan 0.000 0.479 485 R N 3.403 123.834 120.500 -0.114 0.000 2.758 485 R HA 0.804 5.145 4.340 0.002 0.000 0.265 485 R C 0.098 176.440 176.300 0.070 0.000 1.016 485 R CA -0.447 55.656 56.100 0.005 0.000 1.040 485 R CB 1.871 32.185 30.300 0.024 0.000 1.152 485 R HN 0.858 nan 8.270 nan 0.000 0.503 486 S N -1.032 114.749 115.700 0.135 0.000 2.819 486 S HA 0.304 4.775 4.470 0.002 0.000 0.299 486 S C 0.164 174.882 174.600 0.197 0.000 1.192 486 S CA -0.782 57.505 58.200 0.145 0.000 0.847 486 S CB 1.369 64.629 63.200 0.099 0.000 1.224 486 S HN 0.419 nan 8.310 nan 0.000 0.537 487 E N 0.539 120.845 120.200 0.177 0.000 2.511 487 E HA 0.088 4.440 4.350 0.002 0.000 0.196 487 E C 1.011 177.710 176.600 0.164 0.000 1.066 487 E CA 0.297 56.815 56.400 0.196 0.000 0.871 487 E CB -0.212 29.584 29.700 0.161 0.000 0.863 487 E HN 0.536 nan 8.360 nan 0.000 0.520 488 K N 0.626 121.109 120.400 0.138 0.000 2.288 488 K HA -0.017 4.304 4.320 0.002 0.000 0.201 488 K C 0.503 177.193 176.600 0.150 0.000 1.048 488 K CA 0.570 56.927 56.287 0.116 0.000 0.956 488 K CB 0.300 32.853 32.500 0.088 0.000 0.746 488 K HN 0.085 nan 8.250 nan 0.000 0.461 489 D N -0.465 120.054 120.400 0.199 0.000 2.332 489 D HA 0.180 4.822 4.640 0.002 0.000 0.252 489 D C -1.020 175.488 176.300 0.347 0.000 1.050 489 D CA -0.290 53.854 54.000 0.239 0.000 0.970 489 D CB 1.314 42.261 40.800 0.246 0.000 1.141 489 D HN -0.159 nan 8.370 nan 0.000 0.485 490 F N 1.220 121.236 119.950 0.110 0.000 3.034 490 F HA 0.174 4.702 4.527 0.002 0.000 0.371 490 F C 0.054 175.824 175.800 -0.051 0.000 1.233 490 F CA -0.648 57.382 58.000 0.049 0.000 1.134 490 F CB 1.013 40.039 39.000 0.043 0.000 1.495 490 F HN 0.064 nan 8.300 nan 0.000 0.563 491 D N 3.003 123.140 120.400 -0.438 0.000 2.346 491 D HA 0.098 4.740 4.640 0.002 0.000 0.206 491 D C 2.094 177.896 176.300 -0.830 0.000 1.001 491 D CA 0.866 54.696 54.000 -0.284 0.000 0.871 491 D CB 0.471 41.480 40.800 0.348 0.000 0.943 491 D HN 0.567 nan 8.370 nan 0.000 0.518 492 A N 2.132 123.982 122.820 -1.616 0.000 1.892 492 A HA -0.137 4.184 4.320 0.002 0.000 0.218 492 A C -0.397 176.650 177.584 -0.895 0.000 1.188 492 A CA 1.310 52.300 52.037 -1.744 0.000 0.631 492 A CB -1.479 16.483 19.000 -1.730 0.000 0.822 492 A HN 0.156 nan 8.150 nan 0.000 0.447 493 P HA 0.065 nan 4.420 nan 0.000 0.239 493 P C 1.109 178.304 177.300 -0.175 0.000 1.184 493 P CA 1.054 63.936 63.100 -0.364 0.000 0.760 493 P CB -0.042 31.532 31.700 -0.211 0.000 0.884 494 A N -0.868 121.805 122.820 -0.246 0.000 2.172 494 A HA -0.093 4.228 4.320 0.002 0.000 0.216 494 A C 1.316 179.151 177.584 0.419 0.000 1.154 494 A CA 0.849 52.815 52.037 -0.119 0.000 0.701 494 A CB -0.786 17.778 19.000 -0.728 0.000 0.789 494 A HN 0.053 nan 8.150 nan 0.000 0.465 495 K N -0.838 119.600 120.400 0.064 0.000 2.227 495 K HA 0.326 4.647 4.320 0.002 0.000 0.280 495 K C 0.455 176.848 176.600 -0.345 0.000 1.041 495 K CA -0.714 55.441 56.287 -0.220 0.000 0.905 495 K CB 0.231 32.538 32.500 -0.321 0.000 1.068 495 K HN 0.240 nan 8.250 nan 0.000 0.470 496 Y N 4.260 124.141 120.300 -0.697 0.000 2.069 496 Y HA -0.346 4.205 4.550 0.002 0.000 0.278 496 Y C 1.079 176.537 175.900 -0.737 0.000 1.175 496 Y CA 2.428 59.790 58.100 -1.231 0.000 1.134 496 Y CB -0.288 37.444 38.460 -1.214 0.000 0.965 496 Y HN 0.936 nan 8.280 nan 0.000 0.498 497 H N -0.455 118.255 119.070 -0.600 0.000 2.456 497 H HA -0.110 4.447 4.556 0.002 0.000 0.296 497 H C 2.266 177.407 175.328 -0.311 0.000 1.079 497 H CA 1.890 57.691 56.048 -0.412 0.000 1.322 497 H CB -0.344 29.442 29.762 0.039 0.000 1.388 497 H HN 0.421 nan 8.280 nan 0.000 0.538 498 I N -0.729 119.734 120.570 -0.178 0.000 2.286 498 I HA -0.195 3.976 4.170 0.002 0.000 0.245 498 I C 2.101 178.173 176.117 -0.075 0.000 1.104 498 I CA 0.900 62.164 61.300 -0.060 0.000 1.397 498 I CB -0.185 37.728 38.000 -0.146 0.000 1.072 498 I HN 0.142 nan 8.210 nan 0.000 0.417 499 S N 0.702 116.244 115.700 -0.263 0.000 2.383 499 S HA -0.053 4.418 4.470 0.002 0.000 0.227 499 S C 1.898 176.304 174.600 -0.322 0.000 1.026 499 S CA 1.351 59.416 58.200 -0.225 0.000 0.981 499 S CB -0.118 62.952 63.200 -0.217 0.000 0.818 499 S HN 0.521 nan 8.310 nan 0.000 0.472 500 A N 0.496 122.982 122.820 -0.556 0.000 2.345 500 A HA 0.291 4.612 4.320 0.002 0.000 0.225 500 A C 0.512 177.932 177.584 -0.274 0.000 1.243 500 A CA 0.360 52.087 52.037 -0.517 0.000 0.875 500 A CB -0.205 18.184 19.000 -1.018 0.000 0.929 500 A HN 0.376 nan 8.150 nan 0.000 0.502 501 D N -0.907 119.389 120.400 -0.173 0.000 2.737 501 D HA -0.134 4.508 4.640 0.002 0.000 0.238 501 D C -0.833 175.556 176.300 0.148 0.000 1.157 501 D CA 0.827 54.882 54.000 0.091 0.000 0.694 501 D CB -1.619 39.247 40.800 0.110 0.000 1.021 501 D HN 0.192 nan 8.370 nan 0.000 0.420 502 V N 1.907 121.859 119.914 0.064 0.000 2.384 502 V HA 0.268 4.390 4.120 0.002 0.000 0.287 502 V C 0.682 176.737 176.094 -0.064 0.000 1.020 502 V CA -0.960 61.355 62.300 0.026 0.000 0.850 502 V CB 1.698 33.577 31.823 0.093 0.000 0.987 502 V HN 0.294 nan 8.190 nan 0.000 0.436 503 E N 2.827 122.731 120.200 -0.493 0.000 2.502 503 E HA -0.110 4.241 4.350 0.002 0.000 0.261 503 E C -0.557 175.865 176.600 -0.295 0.000 0.974 503 E CA 0.485 56.302 56.400 -0.972 0.000 0.936 503 E CB 0.614 29.495 29.700 -1.365 0.000 0.926 503 E HN 0.697 nan 8.360 nan 0.000 0.459 504 Y N 4.047 124.175 120.300 -0.285 0.000 2.462 504 Y HA 0.016 4.567 4.550 0.002 0.000 0.253 504 Y C 1.842 177.725 175.900 -0.029 0.000 1.095 504 Y CA 0.061 58.128 58.100 -0.054 0.000 1.283 504 Y CB 0.344 38.720 38.460 -0.139 0.000 1.138 504 Y HN 0.597 nan 8.280 nan 0.000 0.522 505 L N 1.440 122.673 121.223 0.017 0.000 2.127 505 L HA -0.234 4.108 4.340 0.002 0.000 0.211 505 L C 2.584 179.461 176.870 0.010 0.000 1.089 505 L CA 1.813 56.675 54.840 0.038 0.000 0.757 505 L CB -0.519 41.670 42.059 0.217 0.000 0.899 505 L HN 0.260 nan 8.230 nan 0.000 0.434 506 R N -1.864 118.616 120.500 -0.035 0.000 2.133 506 R HA -0.272 4.069 4.340 0.002 0.000 0.247 506 R C 1.935 178.119 176.300 -0.194 0.000 1.151 506 R CA 2.323 58.353 56.100 -0.117 0.000 0.971 506 R CB -1.303 28.789 30.300 -0.346 0.000 0.866 506 R HN 0.361 nan 8.270 nan 0.000 0.447 507 Y N 0.662 120.910 120.300 -0.088 0.000 2.286 507 Y HA -0.024 4.528 4.550 0.002 0.000 0.293 507 Y C 2.245 178.223 175.900 0.129 0.000 1.124 507 Y CA 0.576 58.679 58.100 0.006 0.000 1.178 507 Y CB -0.382 37.946 38.460 -0.220 0.000 1.010 507 Y HN 0.027 nan 8.280 nan 0.000 0.536 508 L N -0.413 120.867 121.223 0.095 0.000 2.017 508 L HA -0.144 4.197 4.340 0.002 0.000 0.208 508 L C 2.130 179.016 176.870 0.025 0.000 1.073 508 L CA 1.499 56.326 54.840 -0.023 0.000 0.745 508 L CB -0.944 40.956 42.059 -0.264 0.000 0.894 508 L HN 0.044 nan 8.230 nan 0.000 0.432 509 V N -0.802 119.109 119.914 -0.005 0.000 2.287 509 V HA -0.310 3.811 4.120 0.002 0.000 0.248 509 V C 2.795 178.921 176.094 0.053 0.000 1.053 509 V CA 1.915 64.213 62.300 -0.004 0.000 1.027 509 V CB -1.074 30.785 31.823 0.060 0.000 0.646 509 V HN 0.691 nan 8.190 nan 0.000 0.447 510 S N -0.338 115.446 115.700 0.140 0.000 2.365 510 S HA -0.257 4.214 4.470 0.002 0.000 0.225 510 S C 1.900 176.615 174.600 0.192 0.000 1.039 510 S CA 2.089 60.386 58.200 0.162 0.000 1.033 510 S CB -0.564 62.799 63.200 0.273 0.000 0.887 510 S HN 0.550 nan 8.310 nan 0.000 0.447 511 F N 0.750 120.750 119.950 0.083 0.000 2.365 511 F HA 0.064 4.592 4.527 0.002 0.000 0.300 511 F C 1.986 177.895 175.800 0.181 0.000 1.090 511 F CA 0.713 58.798 58.000 0.141 0.000 1.408 511 F CB -0.122 39.021 39.000 0.238 0.000 1.060 511 F HN 0.262 nan 8.300 nan 0.000 0.534 512 I N 0.230 120.930 120.570 0.218 0.000 2.270 512 I HA -0.224 3.948 4.170 0.002 0.000 0.239 512 I C 2.331 178.446 176.117 -0.004 0.000 1.080 512 I CA 1.114 62.470 61.300 0.094 0.000 1.383 512 I CB -0.431 37.562 38.000 -0.012 0.000 1.097 512 I HN 0.062 nan 8.210 nan 0.000 0.420 513 I N -0.043 120.424 120.570 -0.172 0.000 2.546 513 I HA -0.238 3.933 4.170 0.002 0.000 0.255 513 I C 2.497 178.200 176.117 -0.689 0.000 1.163 513 I CA 1.113 62.111 61.300 -0.503 0.000 1.457 513 I CB -0.777 36.791 38.000 -0.720 0.000 1.092 513 I HN 0.354 nan 8.210 nan 0.000 0.434 514 Q N 1.169 120.744 119.800 -0.375 0.000 2.226 514 Q HA -0.181 4.160 4.340 0.002 0.000 0.204 514 Q C 1.735 177.516 176.000 -0.365 0.000 0.975 514 Q CA 1.725 57.324 55.803 -0.340 0.000 0.866 514 Q CB -0.740 27.762 28.738 -0.393 0.000 0.915 514 Q HN 0.565 nan 8.270 nan 0.000 0.440 515 F N 1.403 121.215 119.950 -0.230 0.000 2.367 515 F HA 0.016 4.544 4.527 0.002 0.000 0.298 515 F C 2.437 178.192 175.800 -0.075 0.000 1.094 515 F CA 0.947 58.874 58.000 -0.122 0.000 1.409 515 F CB 0.027 38.949 39.000 -0.130 0.000 1.064 515 F HN 0.066 nan 8.300 nan 0.000 0.528 516 Q N -0.281 119.480 119.800 -0.064 0.000 2.050 516 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 516 Q C 2.168 178.116 176.000 -0.087 0.000 0.980 516 Q CA 1.782 57.509 55.803 -0.126 0.000 0.840 516 Q CB -0.478 28.081 28.738 -0.298 0.000 0.898 516 Q HN 0.433 nan 8.270 nan 0.000 0.424 517 F N -0.846 118.967 119.950 -0.229 0.000 2.113 517 F HA -0.254 4.274 4.527 0.002 0.000 0.297 517 F C 2.345 178.111 175.800 -0.058 0.000 1.103 517 F CA 0.669 58.408 58.000 -0.435 0.000 1.248 517 F CB -0.312 38.270 39.000 -0.696 0.000 0.999 517 F HN 0.107 nan 8.300 nan 0.000 0.475 518 Y N 1.579 121.896 120.300 0.027 0.000 2.128 518 Y HA -0.272 4.279 4.550 0.002 0.000 0.284 518 Y C 2.524 178.468 175.900 0.073 0.000 1.154 518 Y CA 1.875 59.979 58.100 0.007 0.000 1.149 518 Y CB -0.561 37.782 38.460 -0.195 0.000 0.976 518 Y HN -0.093 nan 8.280 nan 0.000 0.505 519 K N -0.603 119.849 120.400 0.088 0.000 2.032 519 K HA -0.176 4.145 4.320 0.002 0.000 0.209 519 K C 2.219 178.877 176.600 0.097 0.000 1.048 519 K CA 1.876 58.180 56.287 0.029 0.000 0.927 519 K CB -0.291 32.278 32.500 0.115 0.000 0.712 519 K HN 0.307 nan 8.250 nan 0.000 0.441 520 S N 0.342 116.148 115.700 0.178 0.000 2.368 520 S HA -0.072 4.399 4.470 0.002 0.000 0.224 520 S C 1.988 176.676 174.600 0.146 0.000 1.029 520 S CA 1.005 59.332 58.200 0.211 0.000 0.988 520 S CB -0.163 63.255 63.200 0.365 0.000 0.838 520 S HN 0.524 nan 8.310 nan 0.000 0.462 521 A N 0.495 123.435 122.820 0.200 0.000 1.933 521 A HA -0.149 4.173 4.320 0.002 0.000 0.218 521 A C 2.363 179.957 177.584 0.017 0.000 1.175 521 A CA 1.520 53.630 52.037 0.122 0.000 0.628 521 A CB -1.199 17.967 19.000 0.277 0.000 0.814 521 A HN 0.620 nan 8.150 nan 0.000 0.444 522 c N -0.839 117.715 118.600 -0.076 0.000 2.446 522 c HA -0.005 4.566 4.570 0.002 0.000 0.277 522 c C 2.546 176.657 174.090 0.035 0.000 1.275 522 c CA 0.775 57.048 56.329 -0.093 0.000 1.727 522 c CB -1.291 41.056 42.510 -0.271 0.000 2.010 522 c HN 0.630 nan 8.230 nan 0.000 0.486 523 I N 0.938 121.559 120.570 0.085 0.000 2.179 523 I HA -0.235 3.936 4.170 0.002 0.000 0.242 523 I C 2.509 178.635 176.117 0.015 0.000 1.088 523 I CA 1.612 62.953 61.300 0.069 0.000 1.357 523 I CB -0.425 37.626 38.000 0.085 0.000 1.051 523 I HN 0.368 nan 8.210 nan 0.000 0.409 524 K N 0.817 121.217 120.400 -0.000 0.000 2.103 524 K HA -0.129 4.192 4.320 0.002 0.000 0.207 524 K C 1.992 178.580 176.600 -0.019 0.000 1.048 524 K CA 1.537 57.806 56.287 -0.029 0.000 0.930 524 K CB -0.257 32.200 32.500 -0.071 0.000 0.716 524 K HN 0.314 nan 8.250 nan 0.000 0.444 525 A N 0.358 123.175 122.820 -0.005 0.000 2.235 525 A HA 0.146 4.468 4.320 0.002 0.000 0.208 525 A C 1.394 178.979 177.584 0.002 0.000 1.172 525 A CA 0.820 52.857 52.037 0.001 0.000 0.786 525 A CB -0.504 18.504 19.000 0.014 0.000 0.804 525 A HN 0.432 nan 8.150 nan 0.000 0.479 526 G N -1.332 107.468 108.800 0.001 0.000 2.179 526 G HA2 -0.275 3.686 3.960 0.002 0.000 0.257 526 G HA3 -0.275 3.686 3.960 0.002 0.000 0.257 526 G C 0.696 175.603 174.900 0.012 0.000 1.010 526 G CA 0.627 45.726 45.100 -0.002 0.000 0.736 526 G HN 0.456 nan 8.290 nan 0.000 0.513 527 Q N -1.742 118.077 119.800 0.031 0.000 2.356 527 Q HA 0.214 4.555 4.340 0.002 0.000 0.205 527 Q C -0.042 176.025 176.000 0.113 0.000 0.901 527 Q CA 0.254 56.087 55.803 0.050 0.000 0.938 527 Q CB 0.707 29.464 28.738 0.032 0.000 1.081 527 Q HN 0.734 nan 8.270 nan 0.000 0.517 528 Y N 0.658 120.928 120.300 -0.050 0.000 2.386 528 Y HA 0.409 4.960 4.550 0.002 0.000 0.334 528 Y C -1.793 174.090 175.900 -0.028 0.000 1.002 528 Y CA -1.794 56.278 58.100 -0.045 0.000 1.068 528 Y CB 1.433 39.853 38.460 -0.066 0.000 1.203 528 Y HN -0.212 nan 8.280 nan 0.000 0.443 529 D N 8.302 128.391 120.400 -0.519 0.000 2.736 529 D HA 0.367 5.008 4.640 0.002 0.000 0.243 529 D C -2.327 173.624 176.300 -0.581 0.000 1.304 529 D CA -2.243 51.427 54.000 -0.549 0.000 0.934 529 D CB 2.770 43.435 40.800 -0.225 0.000 1.382 529 D HN 0.334 nan 8.370 nan 0.000 0.571 530 P HA 0.006 nan 4.420 nan 0.000 0.230 530 P C 0.169 177.404 177.300 -0.109 0.000 1.158 530 P CA 0.673 63.601 63.100 -0.287 0.000 0.769 530 P CB 0.660 32.253 31.700 -0.178 0.000 0.807 531 D N -1.409 118.916 120.400 -0.124 0.000 2.398 531 D HA 0.034 4.675 4.640 0.002 0.000 0.210 531 D C 0.258 176.528 176.300 -0.051 0.000 1.094 531 D CA 0.222 54.183 54.000 -0.064 0.000 0.839 531 D CB 0.062 40.827 40.800 -0.059 0.000 0.963 531 D HN 0.100 nan 8.370 nan 0.000 0.506 532 N N 1.337 119.998 118.700 -0.064 0.000 2.469 532 N HA 0.010 4.751 4.740 0.002 0.000 0.253 532 N C 0.769 176.272 175.510 -0.012 0.000 0.970 532 N CA -0.274 52.754 53.050 -0.038 0.000 0.940 532 N CB 1.892 40.351 38.487 -0.047 0.000 1.128 532 N HN -0.270 nan 8.380 nan 0.000 0.503 533 V N 3.474 123.387 119.914 -0.001 0.000 2.720 533 V HA -0.099 4.023 4.120 0.002 0.000 0.256 533 V C 1.301 177.404 176.094 0.016 0.000 1.082 533 V CA 1.697 64.003 62.300 0.011 0.000 1.101 533 V CB -0.178 31.649 31.823 0.007 0.000 0.693 533 V HN 0.592 nan 8.190 nan 0.000 0.479 534 E N 0.003 120.210 120.200 0.012 0.000 2.435 534 E HA 0.116 4.467 4.350 0.002 0.000 0.195 534 E C 0.673 177.290 176.600 0.029 0.000 1.029 534 E CA 0.362 56.772 56.400 0.017 0.000 0.865 534 E CB 0.130 29.836 29.700 0.010 0.000 0.833 534 E HN 0.532 nan 8.360 nan 0.000 0.510 535 L N 2.903 124.149 121.223 0.037 0.000 2.679 535 L HA 0.291 4.633 4.340 0.002 0.000 0.238 535 L C -2.407 174.554 176.870 0.152 0.000 1.330 535 L CA -1.650 53.232 54.840 0.071 0.000 0.935 535 L CB 1.012 43.096 42.059 0.042 0.000 1.243 535 L HN -0.203 nan 8.230 nan 0.000 0.484 536 P HA 0.079 nan 4.420 nan 0.000 0.281 536 P C 0.683 178.014 177.300 0.052 0.000 1.249 536 P CA -0.615 62.556 63.100 0.118 0.000 0.810 536 P CB 2.097 33.807 31.700 0.018 0.000 1.008 537 L N 2.406 123.538 121.223 -0.152 0.000 2.083 537 L HA -0.148 4.194 4.340 0.002 0.000 0.209 537 L C 1.612 178.335 176.870 -0.245 0.000 1.083 537 L CA 2.046 56.614 54.840 -0.453 0.000 0.752 537 L CB -1.386 40.181 42.059 -0.821 0.000 0.899 537 L HN 0.412 nan 8.230 nan 0.000 0.433 538 D N -2.274 117.870 120.400 -0.426 0.000 2.363 538 D HA -0.139 4.502 4.640 0.002 0.000 0.226 538 D C 0.803 177.063 176.300 -0.067 0.000 1.020 538 D CA 0.364 54.115 54.000 -0.415 0.000 0.892 538 D CB -0.361 40.084 40.800 -0.592 0.000 0.900 538 D HN 0.352 nan 8.370 nan 0.000 0.531 539 N N -0.040 118.657 118.700 -0.006 0.000 2.241 539 N HA 0.030 4.771 4.740 0.002 0.000 0.238 539 N C -0.991 174.573 175.510 0.090 0.000 1.244 539 N CA -0.500 52.582 53.050 0.054 0.000 0.880 539 N CB 0.306 38.819 38.487 0.044 0.000 1.179 539 N HN 0.174 nan 8.380 nan 0.000 0.513 540 c N 0.641 119.310 118.600 0.115 0.000 2.629 540 c HA 0.404 4.975 4.570 0.002 0.000 0.410 540 c C -0.040 174.145 174.090 0.159 0.000 1.339 540 c CA -0.468 55.911 56.329 0.085 0.000 1.810 540 c CB -0.554 41.904 42.510 -0.088 0.000 2.549 540 c HN 0.362 nan 8.230 nan 0.000 0.589 541 D N 3.978 124.461 120.400 0.139 0.000 2.425 541 D HA 0.334 4.975 4.640 0.002 0.000 0.240 541 D C 0.762 177.170 176.300 0.180 0.000 1.080 541 D CA -0.633 53.489 54.000 0.203 0.000 0.836 541 D CB 0.922 41.859 40.800 0.228 0.000 1.125 541 D HN 0.647 nan 8.370 nan 0.000 0.525 542 I N 1.267 121.979 120.570 0.237 0.000 3.793 542 I HA 0.254 4.425 4.170 0.002 0.000 0.315 542 I C 0.454 176.654 176.117 0.139 0.000 1.275 542 I CA -0.580 60.831 61.300 0.184 0.000 1.214 542 I CB -0.410 37.707 38.000 0.194 0.000 1.018 542 I HN 0.205 nan 8.210 nan 0.000 0.439 543 Y N 3.553 123.793 120.300 -0.100 0.000 2.811 543 Y HA 0.231 4.782 4.550 0.002 0.000 0.334 543 Y C 1.557 177.305 175.900 -0.253 0.000 1.247 543 Y CA 1.342 59.101 58.100 -0.570 0.000 1.526 543 Y CB 0.428 38.506 38.460 -0.638 0.000 1.284 543 Y HN 0.450 nan 8.280 nan 0.000 0.586 544 G N 3.228 111.512 108.800 -0.860 0.000 2.189 544 G HA2 -0.319 3.642 3.960 0.002 0.000 0.267 544 G HA3 -0.319 3.642 3.960 0.002 0.000 0.267 544 G C 0.245 175.007 174.900 -0.230 0.000 0.975 544 G CA 0.432 45.216 45.100 -0.527 0.000 0.644 544 G HN 0.969 nan 8.290 nan 0.000 0.537 545 S N 0.362 115.970 115.700 -0.154 0.000 2.400 545 S HA 0.678 5.150 4.470 0.002 0.000 0.295 545 S C 1.572 176.141 174.600 -0.052 0.000 1.113 545 S CA 0.657 58.818 58.200 -0.065 0.000 1.064 545 S CB 0.893 64.087 63.200 -0.010 0.000 0.990 545 S HN 1.418 nan 8.310 nan 0.000 0.502 546 A N 5.268 128.056 122.820 -0.054 0.000 2.014 546 A HA 0.231 4.553 4.320 0.002 0.000 0.218 546 A C 2.289 179.859 177.584 -0.022 0.000 1.163 546 A CA 1.308 53.321 52.037 -0.040 0.000 0.652 546 A CB -0.957 18.014 19.000 -0.048 0.000 0.808 546 A HN 1.072 nan 8.150 nan 0.000 0.449 547 A N 0.138 122.942 122.820 -0.027 0.000 1.902 547 A HA 0.147 4.468 4.320 0.002 0.000 0.217 547 A C 2.482 180.040 177.584 -0.044 0.000 1.181 547 A CA 2.036 54.050 52.037 -0.037 0.000 0.623 547 A CB -0.955 18.022 19.000 -0.038 0.000 0.818 547 A HN 0.984 nan 8.150 nan 0.000 0.443 548 A N -0.562 122.258 122.820 0.001 0.000 1.898 548 A HA 0.173 4.494 4.320 0.002 0.000 0.216 548 A C 2.409 180.100 177.584 0.178 0.000 1.181 548 A CA 1.794 53.866 52.037 0.058 0.000 0.620 548 A CB -1.360 17.730 19.000 0.151 0.000 0.819 548 A HN 0.733 nan 8.150 nan 0.000 0.442 549 G N -0.339 108.554 108.800 0.154 0.000 2.442 549 G HA2 -0.024 3.938 3.960 0.002 0.000 0.219 549 G HA3 -0.024 3.938 3.960 0.002 0.000 0.219 549 G C 1.726 176.721 174.900 0.159 0.000 1.141 549 G CA 1.468 46.678 45.100 0.183 0.000 0.763 549 G HN 0.782 nan 8.290 nan 0.000 0.554 550 A N 1.239 124.092 122.820 0.056 0.000 1.908 550 A HA 0.204 4.525 4.320 0.002 0.000 0.218 550 A C 2.836 180.413 177.584 -0.011 0.000 1.181 550 A CA 2.391 54.450 52.037 0.036 0.000 0.627 550 A CB -0.841 18.149 19.000 -0.017 0.000 0.818 550 A HN 0.818 nan 8.150 nan 0.000 0.445 551 A N -1.270 121.433 122.820 -0.195 0.000 1.902 551 A HA 0.001 4.323 4.320 0.002 0.000 0.217 551 A C 1.966 179.351 177.584 -0.332 0.000 1.181 551 A CA 1.538 53.253 52.037 -0.537 0.000 0.623 551 A CB -0.741 17.488 19.000 -1.285 0.000 0.818 551 A HN 0.451 nan 8.150 nan 0.000 0.443 552 F N -0.649 119.272 119.950 -0.049 0.000 2.102 552 F HA -0.156 4.373 4.527 0.002 0.000 0.298 552 F C 2.338 178.157 175.800 0.031 0.000 1.105 552 F CA 1.955 60.007 58.000 0.088 0.000 1.239 552 F CB -0.795 38.245 39.000 0.067 0.000 0.991 552 F HN 0.527 nan 8.300 nan 0.000 0.474 553 H N 0.303 119.468 119.070 0.159 0.000 2.319 553 H HA -0.159 4.398 4.556 0.002 0.000 0.299 553 H C 2.040 177.411 175.328 0.071 0.000 1.092 553 H CA 2.219 58.319 56.048 0.086 0.000 1.302 553 H CB -0.475 29.316 29.762 0.050 0.000 1.373 553 H HN 0.015 nan 8.280 nan 0.000 0.497 554 N N -0.094 118.554 118.700 -0.086 0.000 2.149 554 N HA -0.179 4.562 4.740 0.002 0.000 0.188 554 N C 2.106 177.581 175.510 -0.059 0.000 1.019 554 N CA 1.681 54.659 53.050 -0.120 0.000 0.857 554 N CB -0.357 38.102 38.487 -0.045 0.000 0.997 554 N HN 0.548 nan 8.380 nan 0.000 0.426 555 M N -0.090 119.518 119.600 0.013 0.000 2.276 555 M HA 0.065 4.546 4.480 0.002 0.000 0.262 555 M C 1.575 177.920 176.300 0.075 0.000 1.098 555 M CA 0.926 56.274 55.300 0.081 0.000 1.167 555 M CB 0.097 32.772 32.600 0.125 0.000 1.337 555 M HN -0.024 nan 8.290 nan 0.000 0.446 556 L N 0.242 121.466 121.223 0.001 0.000 2.141 556 L HA -0.118 4.223 4.340 0.002 0.000 0.209 556 L C 2.596 179.614 176.870 0.247 0.000 1.094 556 L CA 1.347 56.188 54.840 0.002 0.000 0.763 556 L CB -0.968 40.943 42.059 -0.248 0.000 0.908 556 L HN 0.483 nan 8.230 nan 0.000 0.437 557 S N -0.591 115.170 115.700 0.101 0.000 2.474 557 S HA -0.126 4.345 4.470 0.002 0.000 0.235 557 S C 1.867 176.601 174.600 0.224 0.000 0.997 557 S CA 0.791 59.103 58.200 0.187 0.000 0.949 557 S CB -0.318 62.843 63.200 -0.064 0.000 0.766 557 S HN 0.381 nan 8.310 nan 0.000 0.517 558 M N 1.369 121.055 119.600 0.143 0.000 2.319 558 M HA 0.161 4.642 4.480 0.002 0.000 0.265 558 M C 2.000 178.319 176.300 0.032 0.000 1.068 558 M CA 0.694 56.031 55.300 0.063 0.000 1.118 558 M CB -1.066 31.551 32.600 0.028 0.000 1.395 558 M HN 0.597 nan 8.290 nan 0.000 0.435 559 G N 0.983 109.905 108.800 0.203 0.000 2.651 559 G HA2 -0.372 3.589 3.960 0.002 0.000 0.315 559 G HA3 -0.372 3.589 3.960 0.002 0.000 0.315 559 G C 0.480 175.305 174.900 -0.125 0.000 1.258 559 G CA 0.410 45.534 45.100 0.040 0.000 1.002 559 G HN 0.646 nan 8.290 nan 0.000 0.551 560 A N -0.039 122.621 122.820 -0.267 0.000 2.610 560 A HA 0.633 4.954 4.320 0.002 0.000 0.286 560 A C 2.055 179.321 177.584 -0.530 0.000 1.306 560 A CA 1.394 53.268 52.037 -0.272 0.000 0.942 560 A CB -0.284 18.600 19.000 -0.194 0.000 1.112 560 A HN 1.924 nan 8.150 nan 0.000 0.527 561 S N -0.264 114.968 115.700 -0.781 0.000 2.447 561 S HA 0.038 4.509 4.470 0.002 0.000 0.233 561 S C 0.819 174.984 174.600 -0.724 0.000 1.006 561 S CA 0.673 58.034 58.200 -1.398 0.000 0.957 561 S CB 0.055 62.763 63.200 -0.820 0.000 0.773 561 S HN 0.320 nan 8.310 nan 0.000 0.507 562 K N 1.201 121.366 120.400 -0.392 0.000 2.477 562 K HA 0.544 4.865 4.320 0.002 0.000 0.255 562 K C -3.305 173.193 176.600 -0.170 0.000 0.952 562 K CA -2.500 53.654 56.287 -0.222 0.000 0.826 562 K CB 1.228 33.639 32.500 -0.148 0.000 1.331 562 K HN -0.070 nan 8.250 nan 0.000 0.437 563 P HA -0.048 nan 4.420 nan 0.000 0.266 563 P C 1.080 178.276 177.300 -0.174 0.000 1.193 563 P CA -0.074 62.936 63.100 -0.150 0.000 0.770 563 P CB 0.209 31.799 31.700 -0.184 0.000 0.836 564 W N 3.925 125.122 121.300 -0.172 0.000 2.331 564 W HA -0.092 4.569 4.660 0.002 0.000 0.291 564 W C -1.730 174.772 176.519 -0.028 0.000 1.214 564 W CA 1.141 58.324 57.345 -0.271 0.000 1.228 564 W CB -2.972 26.227 29.460 -0.434 0.000 1.135 564 W HN 0.318 nan 8.180 nan 0.000 0.537 565 P HA -0.134 nan 4.420 nan 0.000 0.219 565 P C 1.207 178.472 177.300 -0.058 0.000 1.146 565 P CA 2.161 65.029 63.100 -0.387 0.000 0.808 565 P CB -0.198 31.144 31.700 -0.597 0.000 0.779 566 D N -0.745 119.610 120.400 -0.075 0.000 2.183 566 D HA -0.059 4.582 4.640 0.002 0.000 0.203 566 D C 1.949 178.294 176.300 0.076 0.000 0.969 566 D CA 1.227 55.223 54.000 -0.006 0.000 0.842 566 D CB -0.502 40.270 40.800 -0.046 0.000 0.957 566 D HN 0.092 nan 8.370 nan 0.000 0.484 567 A N 0.842 123.731 122.820 0.116 0.000 1.929 567 A HA -0.094 4.227 4.320 0.002 0.000 0.216 567 A C 2.115 179.948 177.584 0.414 0.000 1.176 567 A CA 0.683 52.852 52.037 0.220 0.000 0.628 567 A CB -0.521 18.570 19.000 0.151 0.000 0.816 567 A HN 0.205 nan 8.150 nan 0.000 0.444 568 L N 0.158 121.706 121.223 0.541 0.000 2.093 568 L HA -0.093 4.248 4.340 0.002 0.000 0.208 568 L C 2.169 179.258 176.870 0.365 0.000 1.085 568 L CA 2.555 57.731 54.840 0.562 0.000 0.755 568 L CB -0.660 41.765 42.059 0.609 0.000 0.904 568 L HN 0.589 nan 8.230 nan 0.000 0.435 569 E N -0.640 119.706 120.200 0.242 0.000 2.077 569 E HA -0.228 4.123 4.350 0.002 0.000 0.193 569 E C 2.100 178.786 176.600 0.143 0.000 0.989 569 E CA 1.126 57.621 56.400 0.159 0.000 0.800 569 E CB -0.157 29.597 29.700 0.090 0.000 0.746 569 E HN 0.608 nan 8.360 nan 0.000 0.452 570 A N 0.124 123.031 122.820 0.145 0.000 1.972 570 A HA -0.159 4.162 4.320 0.002 0.000 0.219 570 A C 1.914 179.556 177.584 0.098 0.000 1.169 570 A CA 1.040 53.136 52.037 0.099 0.000 0.635 570 A CB -0.677 18.374 19.000 0.085 0.000 0.810 570 A HN 0.479 nan 8.150 nan 0.000 0.446 571 F N 1.403 121.367 119.950 0.023 0.000 2.098 571 F HA -0.087 4.441 4.527 0.002 0.000 0.294 571 F C 1.600 177.392 175.800 -0.013 0.000 1.107 571 F CA 1.856 59.828 58.000 -0.046 0.000 1.234 571 F CB 0.179 39.130 39.000 -0.081 0.000 1.002 571 F HN 0.474 nan 8.300 nan 0.000 0.472 572 N N -1.466 117.397 118.700 0.271 0.000 2.142 572 N HA 0.192 4.933 4.740 0.002 0.000 0.233 572 N C 0.873 176.463 175.510 0.134 0.000 1.335 572 N CA 0.596 53.754 53.050 0.180 0.000 0.837 572 N CB 0.325 39.014 38.487 0.336 0.000 1.238 572 N HN 0.341 nan 8.380 nan 0.000 0.501 573 G N -0.012 108.863 108.800 0.125 0.000 2.184 573 G HA2 -0.302 3.659 3.960 0.002 0.000 0.264 573 G HA3 -0.302 3.659 3.960 0.002 0.000 0.264 573 G C -0.385 174.576 174.900 0.102 0.000 0.975 573 G CA 0.482 45.637 45.100 0.093 0.000 0.642 573 G HN 0.503 nan 8.290 nan 0.000 0.536 574 E N -0.719 119.565 120.200 0.140 0.000 2.283 574 E HA 0.637 4.988 4.350 0.002 0.000 0.267 574 E C 0.907 177.593 176.600 0.143 0.000 1.045 574 E CA -0.769 55.710 56.400 0.133 0.000 0.884 574 E CB 0.871 30.659 29.700 0.145 0.000 1.106 574 E HN 0.307 nan 8.360 nan 0.000 0.408 575 R N 0.761 121.328 120.500 0.112 0.000 2.531 575 R HA 0.325 4.666 4.340 0.002 0.000 0.316 575 R C -0.117 176.230 176.300 0.078 0.000 0.955 575 R CA -0.046 56.094 56.100 0.067 0.000 1.120 575 R CB 0.580 30.879 30.300 -0.001 0.000 1.361 575 R HN 0.404 nan 8.270 nan 0.000 0.534 576 I N 1.249 121.920 120.570 0.169 0.000 2.465 576 I HA 0.291 4.463 4.170 0.002 0.000 0.291 576 I C -0.184 176.114 176.117 0.302 0.000 1.014 576 I CA -0.891 60.542 61.300 0.221 0.000 1.093 576 I CB 2.150 40.233 38.000 0.138 0.000 1.267 576 I HN -0.071 nan 8.210 nan 0.000 0.431 577 M N 5.814 125.673 119.600 0.432 0.000 2.227 577 M HA 0.237 4.718 4.480 0.002 0.000 0.349 577 M C -0.376 175.988 176.300 0.107 0.000 1.443 577 M CA 0.787 56.231 55.300 0.240 0.000 1.110 577 M CB 0.460 33.177 32.600 0.195 0.000 1.773 577 M HN 0.661 nan 8.290 nan 0.000 0.463 578 S N 2.746 118.473 115.700 0.045 0.000 2.541 578 S HA 0.658 5.129 4.470 0.002 0.000 0.280 578 S C 0.486 175.090 174.600 0.006 0.000 1.112 578 S CA -0.381 57.839 58.200 0.032 0.000 0.925 578 S CB 1.675 64.905 63.200 0.051 0.000 1.067 578 S HN 0.888 nan 8.310 nan 0.000 0.479 579 G N 2.536 111.339 108.800 0.005 0.000 2.985 579 G HA2 0.036 3.998 3.960 0.002 0.000 0.209 579 G HA3 0.036 3.998 3.960 0.002 0.000 0.209 579 G C 1.074 175.978 174.900 0.008 0.000 1.165 579 G CA 0.103 45.201 45.100 -0.003 0.000 0.776 579 G HN 0.733 nan 8.290 nan 0.000 0.541 580 K N 0.640 121.056 120.400 0.026 0.000 2.063 580 K HA -0.047 4.275 4.320 0.002 0.000 0.208 580 K C 2.640 179.270 176.600 0.050 0.000 1.048 580 K CA 1.402 57.714 56.287 0.041 0.000 0.928 580 K CB -0.206 32.326 32.500 0.053 0.000 0.713 580 K HN 0.184 nan 8.250 nan 0.000 0.442 581 A N 1.379 124.233 122.820 0.056 0.000 1.897 581 A HA -0.112 4.210 4.320 0.002 0.000 0.215 581 A C 2.134 179.750 177.584 0.054 0.000 1.181 581 A CA 1.295 53.388 52.037 0.092 0.000 0.620 581 A CB -0.533 18.543 19.000 0.127 0.000 0.821 581 A HN 0.494 nan 8.150 nan 0.000 0.443 582 I N -0.531 119.994 120.570 -0.075 0.000 2.286 582 I HA -0.214 3.957 4.170 0.002 0.000 0.248 582 I C 2.610 178.674 176.117 -0.088 0.000 1.115 582 I CA 1.270 62.323 61.300 -0.411 0.000 1.392 582 I CB -0.120 37.552 38.000 -0.546 0.000 1.065 582 I HN 0.327 nan 8.210 nan 0.000 0.418 583 A N 0.041 122.861 122.820 0.001 0.000 1.933 583 A HA -0.277 4.044 4.320 0.002 0.000 0.218 583 A C 2.254 179.896 177.584 0.097 0.000 1.175 583 A CA 1.885 53.964 52.037 0.071 0.000 0.628 583 A CB -0.663 18.363 19.000 0.044 0.000 0.814 583 A HN 0.612 nan 8.150 nan 0.000 0.444 584 E N -1.541 118.703 120.200 0.075 0.000 2.077 584 E HA -0.236 4.115 4.350 0.002 0.000 0.193 584 E C 1.808 178.435 176.600 0.044 0.000 0.989 584 E CA 1.336 57.782 56.400 0.076 0.000 0.800 584 E CB -0.334 29.420 29.700 0.091 0.000 0.746 584 E HN 0.718 nan 8.360 nan 0.000 0.452 585 Y N -0.528 119.689 120.300 -0.138 0.000 2.128 585 Y HA -0.232 4.320 4.550 0.002 0.000 0.284 585 Y C 1.337 177.013 175.900 -0.374 0.000 1.154 585 Y CA 1.798 59.716 58.100 -0.302 0.000 1.149 585 Y CB -0.026 38.172 38.460 -0.437 0.000 0.976 585 Y HN 0.061 nan 8.280 nan 0.000 0.505 586 F N -0.137 119.920 119.950 0.178 0.000 2.727 586 F HA 0.129 4.657 4.527 0.002 0.000 0.302 586 F C 1.916 177.765 175.800 0.081 0.000 1.097 586 F CA 0.367 58.447 58.000 0.134 0.000 1.330 586 F CB -0.232 38.822 39.000 0.090 0.000 1.084 586 F HN 0.047 nan 8.300 nan 0.000 0.578 587 E N 1.862 122.167 120.200 0.175 0.000 2.085 587 E HA -0.177 4.175 4.350 0.002 0.000 0.194 587 E C -0.735 175.947 176.600 0.135 0.000 0.994 587 E CA 1.723 58.205 56.400 0.136 0.000 0.801 587 E CB -1.149 28.607 29.700 0.094 0.000 0.743 587 E HN 0.169 nan 8.360 nan 0.000 0.453 588 P HA -0.082 nan 4.420 nan 0.000 0.219 588 P C 1.381 178.800 177.300 0.199 0.000 1.150 588 P CA 0.735 63.909 63.100 0.122 0.000 0.814 588 P CB -0.032 31.705 31.700 0.062 0.000 0.787 589 L N -0.140 121.227 121.223 0.239 0.000 2.056 589 L HA -0.033 4.309 4.340 0.002 0.000 0.207 589 L C 2.530 179.598 176.870 0.330 0.000 1.078 589 L CA 1.721 56.758 54.840 0.328 0.000 0.749 589 L CB -0.844 41.452 42.059 0.395 0.000 0.901 589 L HN -0.250 nan 8.230 nan 0.000 0.433 590 R N -0.859 119.790 120.500 0.249 0.000 2.083 590 R HA -0.156 4.185 4.340 0.002 0.000 0.237 590 R C 2.049 178.438 176.300 0.149 0.000 1.137 590 R CA 2.131 58.337 56.100 0.177 0.000 0.951 590 R CB -0.392 29.988 30.300 0.134 0.000 0.851 590 R HN 0.361 nan 8.270 nan 0.000 0.434 591 V N -0.221 119.788 119.914 0.158 0.000 2.295 591 V HA -0.259 3.863 4.120 0.002 0.000 0.246 591 V C 1.942 178.119 176.094 0.139 0.000 1.049 591 V CA 2.035 64.410 62.300 0.125 0.000 1.024 591 V CB -0.722 31.175 31.823 0.123 0.000 0.648 591 V HN 0.568 nan 8.190 nan 0.000 0.447 592 W N 0.251 121.580 121.300 0.048 0.000 2.358 592 W HA -0.199 4.462 4.660 0.002 0.000 0.303 592 W C 2.147 178.661 176.519 -0.008 0.000 1.208 592 W CA 1.806 59.174 57.345 0.038 0.000 1.274 592 W CB -0.234 29.269 29.460 0.071 0.000 1.138 592 W HN 0.211 nan 8.180 nan 0.000 0.515 593 L N 1.152 122.448 121.223 0.122 0.000 2.072 593 L HA -0.081 4.260 4.340 0.002 0.000 0.205 593 L C 2.238 178.976 176.870 -0.221 0.000 1.079 593 L CA 2.150 56.923 54.840 -0.112 0.000 0.752 593 L CB -1.142 41.034 42.059 0.195 0.000 0.906 593 L HN 0.050 nan 8.230 nan 0.000 0.436 594 E N -0.488 119.653 120.200 -0.098 0.000 2.085 594 E HA -0.239 4.112 4.350 0.002 0.000 0.194 594 E C 2.111 178.612 176.600 -0.165 0.000 0.994 594 E CA 1.212 57.555 56.400 -0.096 0.000 0.801 594 E CB -0.241 29.435 29.700 -0.040 0.000 0.743 594 E HN 0.648 nan 8.360 nan 0.000 0.453 595 A N 1.059 123.746 122.820 -0.222 0.000 1.897 595 A HA -0.194 4.127 4.320 0.002 0.000 0.215 595 A C 2.023 179.389 177.584 -0.362 0.000 1.181 595 A CA 1.488 53.376 52.037 -0.248 0.000 0.620 595 A CB -0.285 18.584 19.000 -0.218 0.000 0.821 595 A HN 0.114 nan 8.150 nan 0.000 0.443 596 E N 0.678 120.503 120.200 -0.626 0.000 2.072 596 E HA -0.155 4.196 4.350 0.002 0.000 0.191 596 E C 1.769 178.136 176.600 -0.388 0.000 0.985 596 E CA 1.532 57.517 56.400 -0.692 0.000 0.801 596 E CB -0.213 28.658 29.700 -1.382 0.000 0.750 596 E HN 0.537 nan 8.360 nan 0.000 0.452 597 N N 0.028 118.547 118.700 -0.302 0.000 2.120 597 N HA -0.109 4.632 4.740 0.002 0.000 0.188 597 N C 1.865 177.269 175.510 -0.177 0.000 1.024 597 N CA 1.153 54.095 53.050 -0.180 0.000 0.852 597 N CB -0.188 38.244 38.487 -0.092 0.000 1.003 597 N HN 0.275 nan 8.380 nan 0.000 0.424 598 I N 1.208 121.680 120.570 -0.164 0.000 2.179 598 I HA -0.235 3.936 4.170 0.002 0.000 0.242 598 I C 2.251 178.288 176.117 -0.132 0.000 1.088 598 I CA 1.061 62.284 61.300 -0.128 0.000 1.357 598 I CB -0.122 37.814 38.000 -0.107 0.000 1.051 598 I HN 0.063 nan 8.210 nan 0.000 0.409 599 K N 0.539 120.845 120.400 -0.156 0.000 2.074 599 K HA -0.174 4.147 4.320 0.002 0.000 0.209 599 K C 1.363 177.882 176.600 -0.134 0.000 1.048 599 K CA 1.413 57.621 56.287 -0.133 0.000 0.926 599 K CB -0.125 32.286 32.500 -0.147 0.000 0.713 599 K HN 0.358 nan 8.250 nan 0.000 0.444 600 N N 0.847 119.427 118.700 -0.200 0.000 2.270 600 N HA -0.055 4.686 4.740 0.002 0.000 0.198 600 N C -0.338 175.011 175.510 -0.269 0.000 1.117 600 N CA 0.098 52.987 53.050 -0.269 0.000 0.845 600 N CB 0.372 38.559 38.487 -0.501 0.000 0.980 600 N HN 0.137 nan 8.380 nan 0.000 0.486 601 N N 0.774 119.368 118.700 -0.176 0.000 2.725 601 N HA -0.170 4.571 4.740 0.002 0.000 0.251 601 N C -1.103 174.337 175.510 -0.118 0.000 1.031 601 N CA 0.192 53.173 53.050 -0.115 0.000 0.720 601 N CB -1.452 36.995 38.487 -0.066 0.000 0.930 601 N HN -0.086 nan 8.380 nan 0.000 0.543 602 V N 1.677 121.489 119.914 -0.170 0.000 2.508 602 V HA 0.061 4.183 4.120 0.002 0.000 0.281 602 V C 1.010 177.108 176.094 0.006 0.000 1.041 602 V CA -0.360 61.859 62.300 -0.134 0.000 1.016 602 V CB 0.741 32.456 31.823 -0.180 0.000 0.984 602 V HN 0.468 nan 8.190 nan 0.000 0.478 603 H N 5.693 124.765 119.070 0.003 0.000 2.764 603 H HA 0.347 4.904 4.556 0.002 0.000 0.341 603 H C -0.482 174.897 175.328 0.085 0.000 1.072 603 H CA -0.138 55.934 56.048 0.040 0.000 1.444 603 H CB 0.450 30.248 29.762 0.060 0.000 1.458 603 H HN 0.413 nan 8.280 nan 0.000 0.572 604 I N 4.551 124.864 120.570 -0.429 0.000 2.433 604 I HA 0.470 4.642 4.170 0.002 0.000 0.292 604 I C 0.893 176.817 176.117 -0.321 0.000 1.001 604 I CA 0.263 61.443 61.300 -0.200 0.000 1.119 604 I CB 0.821 38.737 38.000 -0.139 0.000 1.289 604 I HN 0.973 nan 8.210 nan 0.000 0.438 605 G N 5.473 114.235 108.800 -0.063 0.000 2.661 605 G HA2 -0.014 3.948 3.960 0.002 0.000 0.685 605 G HA3 -0.014 3.948 3.960 0.002 0.000 0.685 605 G C -1.726 173.283 174.900 0.182 0.000 1.298 605 G CA -0.521 44.440 45.100 -0.231 0.000 0.855 605 G HN 0.925 nan 8.290 nan 0.000 0.560 606 W N -0.993 120.344 121.300 0.062 0.000 3.217 606 W HA 0.742 5.404 4.660 0.002 0.000 0.323 606 W C 0.413 176.975 176.519 0.073 0.000 1.216 606 W CA -0.763 56.647 57.345 0.107 0.000 1.194 606 W CB 0.421 29.935 29.460 0.090 0.000 1.397 606 W HN 1.127 nan 8.180 nan 0.000 0.537 607 T N -0.759 113.965 114.554 0.282 0.000 2.813 607 T HA 0.382 4.733 4.350 0.002 0.000 0.297 607 T C 0.304 175.146 174.700 0.237 0.000 1.036 607 T CA -0.325 61.877 62.100 0.170 0.000 1.044 607 T CB 0.711 69.645 68.868 0.111 0.000 0.993 607 T HN 0.545 nan 8.240 nan 0.000 0.535 608 T N 2.514 117.159 114.554 0.152 0.000 2.888 608 T HA 0.238 4.590 4.350 0.002 0.000 0.301 608 T C 0.707 175.480 174.700 0.123 0.000 1.001 608 T CA -0.300 61.894 62.100 0.156 0.000 1.147 608 T CB 0.701 69.629 68.868 0.100 0.000 0.931 608 T HN 0.798 nan 8.240 nan 0.000 0.541 609 S N 2.326 118.098 115.700 0.120 0.000 2.568 609 S HA 0.048 4.519 4.470 0.002 0.000 0.282 609 S C 0.941 175.558 174.600 0.029 0.000 1.338 609 S CA -0.594 57.639 58.200 0.053 0.000 1.045 609 S CB 0.120 63.337 63.200 0.029 0.000 0.873 609 S HN 0.645 nan 8.310 nan 0.000 0.516 610 N N 2.646 121.340 118.700 -0.010 0.000 2.234 610 N HA 0.152 4.893 4.740 0.002 0.000 0.227 610 N C 0.009 175.489 175.510 -0.051 0.000 1.151 610 N CA -0.285 52.756 53.050 -0.015 0.000 0.865 610 N CB 0.573 39.052 38.487 -0.014 0.000 1.066 610 N HN 0.462 nan 8.380 nan 0.000 0.515 611 K N 0.216 120.561 120.400 -0.091 0.000 2.404 611 K HA 0.141 4.462 4.320 0.002 0.000 0.194 611 K C -0.008 176.498 176.600 -0.155 0.000 1.023 611 K CA -0.018 56.166 56.287 -0.171 0.000 1.094 611 K CB -0.044 32.276 32.500 -0.300 0.000 0.841 611 K HN 0.051 nan 8.250 nan 0.000 0.523 612 c N 1.440 120.015 118.600 -0.042 0.000 2.383 612 c HA 0.387 4.959 4.570 0.002 0.000 0.330 612 c C -0.251 173.882 174.090 0.072 0.000 1.168 612 c CA -0.750 55.605 56.329 0.044 0.000 1.374 612 c CB 0.173 42.787 42.510 0.173 0.000 2.014 612 c HN 0.012 nan 8.230 nan 0.000 0.439 613 V N 6.861 126.813 119.914 0.065 0.000 2.432 613 V HA 0.309 4.430 4.120 0.002 0.000 0.271 613 V C 0.794 176.943 176.094 0.090 0.000 1.046 613 V CA 0.374 62.712 62.300 0.063 0.000 0.945 613 V CB 1.486 33.334 31.823 0.043 0.000 0.992 613 V HN 1.020 nan 8.190 nan 0.000 0.471 614 S N 0.000 115.753 115.700 0.088 0.000 2.498 614 S HA 0.000 4.471 4.470 0.002 0.000 0.327 614 S CA 0.000 58.257 58.200 0.096 0.000 1.107 614 S CB 0.000 63.256 63.200 0.093 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517