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 1h2t_1_C DATA FIRST_RESID 29 DATA SEQUENCE DHLESLICKV GEKSACSLES NLEGLAGVLE ADLPNYKSKI LRLLCTVARL DATA SEQUENCE LPEKLTIYTT LVGLLNARNY NFGGEFVEAM IRQLKESLKA NNYNEAVYLV DATA SEQUENCE RFLSDLVNCH VIAAPSMVAM FENFVSVTQE EDVPQVRRDW YVYAFLSSLP DATA SEQUENCE WVGKELYEKK DAEMDRIFAN TESYLKRRQK THVPMLQVWT ADKPHPQEEY DATA SEQUENCE LDCLWAQIQK LKKDRWQERH ILRPYLAFDS ILCEALQHNL PPFTPPPHTE DATA SEQUENCE DSVYPMPRVI FRMFDYTDDP EGPVMPGSHS VERFVIEENL HCIIKSHWKE DATA SEQUENCE RKTCAAQLVS YPGKNKIPLN YHIVEVIFAE LFQLPAPPHI DVMYTTLLIE DATA SEQUENCE LCKLQPGSLP QVLAQATEML YMRLDTMNTT CVDRFINWFS HHLSNFQFRW DATA SEQUENCE SWEDWSDCLS QDPESPKPKF VREVLEKCMR LSYHQRILDI VPPTFSALCP DATA SEQUENCE SNPTCIYKYG DESSNSLPGH SVALCLAVAF KSKATNDEIF SILKDVPNPX DATA SEQUENCE XXXXXXXXXS FNPLKIEVFV QTLLHLAAKS FSHSFSALAK FHEVFKTLAE DATA SEQUENCE SDEGKLHVLR VMFEVWRNHP QMIAVLVDKM IRTQIVDCAA VANWIFSSEL DATA SEQUENCE SRDFTRLFVW EILHSTIRKM NKHVGXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXAQSEQKN LFLVIFQRFI MILTEHLVRC DATA SEQUENCE ETDGTSVLTP WYKNCIERLQ QIFLQHHQII QQYMVTLENL LFTAELDPHI DATA SEQUENCE LAVFQQFCAL QA 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 29 D HA 0.000 nan 4.640 nan 0.000 0.175 29 D C 0.000 176.302 176.300 0.004 0.000 2.045 29 D CA 0.000 53.989 54.000 -0.019 0.000 0.868 29 D CB 0.000 40.796 40.800 -0.006 0.000 0.688 30 H N 0.893 119.914 119.070 -0.082 0.000 2.299 30 H HA 0.101 4.658 4.556 0.001 0.000 0.302 30 H C 2.050 177.340 175.328 -0.063 0.000 1.078 30 H CA 2.128 58.137 56.048 -0.066 0.000 1.323 30 H CB -0.382 29.335 29.762 -0.074 0.000 1.381 30 H HN 0.126 nan 8.280 nan 0.000 0.498 31 L N 0.962 122.068 121.223 -0.196 0.000 2.083 31 L HA -0.110 4.230 4.340 0.001 0.000 0.209 31 L C 2.529 179.302 176.870 -0.162 0.000 1.083 31 L CA 2.036 56.742 54.840 -0.224 0.000 0.752 31 L CB -0.851 41.120 42.059 -0.147 0.000 0.899 31 L HN 0.510 nan 8.230 nan 0.000 0.433 32 E N -1.565 118.566 120.200 -0.115 0.000 2.106 32 E HA -0.222 4.129 4.350 0.001 0.000 0.192 32 E C 2.352 178.910 176.600 -0.070 0.000 0.984 32 E CA 1.211 57.563 56.400 -0.079 0.000 0.806 32 E CB -0.022 29.643 29.700 -0.057 0.000 0.750 32 E HN 0.386 nan 8.360 nan 0.000 0.458 33 S N -0.165 115.484 115.700 -0.085 0.000 2.368 33 S HA -0.090 4.381 4.470 0.001 0.000 0.224 33 S C 1.964 176.520 174.600 -0.074 0.000 1.029 33 S CA 0.807 58.970 58.200 -0.062 0.000 0.988 33 S CB -0.209 62.962 63.200 -0.049 0.000 0.838 33 S HN 0.298 nan 8.310 nan 0.000 0.462 34 L N 0.990 122.118 121.223 -0.158 0.000 1.994 34 L HA -0.090 4.251 4.340 0.001 0.000 0.208 34 L C 2.416 179.270 176.870 -0.026 0.000 1.071 34 L CA 1.485 56.248 54.840 -0.128 0.000 0.745 34 L CB -0.580 41.345 42.059 -0.224 0.000 0.892 34 L HN 0.349 nan 8.230 nan 0.000 0.431 35 I N -0.939 119.622 120.570 -0.015 0.000 2.226 35 I HA -0.330 3.841 4.170 0.001 0.000 0.245 35 I C 2.515 178.743 176.117 0.184 0.000 1.100 35 I CA 1.113 62.462 61.300 0.081 0.000 1.374 35 I CB -0.440 37.561 38.000 0.001 0.000 1.057 35 I HN 0.402 nan 8.210 nan 0.000 0.413 36 C N 0.590 119.946 119.300 0.094 0.000 2.446 36 C HA -0.066 4.395 4.460 0.001 0.000 0.279 36 C C 2.609 177.685 174.990 0.144 0.000 1.366 36 C CA 0.604 59.703 59.018 0.136 0.000 1.763 36 C CB -0.895 26.880 27.740 0.059 0.000 1.929 36 C HN 0.407 nan 8.230 nan 0.000 0.509 37 K N 0.138 120.590 120.400 0.087 0.000 2.314 37 K HA 0.076 4.397 4.320 0.001 0.000 0.198 37 K C 0.756 177.385 176.600 0.048 0.000 1.045 37 K CA 0.140 56.462 56.287 0.058 0.000 0.988 37 K CB 0.016 32.532 32.500 0.026 0.000 0.783 37 K HN 0.261 nan 8.250 nan 0.000 0.484 38 V N 1.321 121.270 119.914 0.058 0.000 2.557 38 V HA 0.062 4.183 4.120 0.001 0.000 0.301 38 V C 0.899 176.972 176.094 -0.035 0.000 1.026 38 V CA 1.718 64.027 62.300 0.014 0.000 1.137 38 V CB 0.102 31.937 31.823 0.021 0.000 0.917 38 V HN 0.752 nan 8.190 nan 0.000 0.484 39 G N 3.973 112.751 108.800 -0.036 0.000 2.201 39 G HA2 -0.162 3.799 3.960 0.001 0.000 0.212 39 G HA3 -0.162 3.799 3.960 0.001 0.000 0.212 39 G C 0.111 174.997 174.900 -0.023 0.000 0.994 39 G CA 0.258 45.327 45.100 -0.052 0.000 0.644 39 G HN 0.727 nan 8.290 nan 0.000 0.508 40 E N 0.574 120.772 120.200 -0.005 0.000 3.099 40 E HA 0.454 4.804 4.350 0.001 0.000 0.259 40 E C 0.463 177.061 176.600 -0.003 0.000 1.274 40 E CA -0.620 55.781 56.400 0.002 0.000 1.111 40 E CB 0.371 30.079 29.700 0.013 0.000 1.327 40 E HN 0.452 nan 8.360 nan 0.000 0.652 41 K N 0.682 121.081 120.400 -0.002 0.000 2.440 41 K HA 0.060 4.381 4.320 0.001 0.000 0.275 41 K C -0.503 176.097 176.600 -0.000 0.000 1.082 41 K CA 0.266 56.552 56.287 -0.002 0.000 1.135 41 K CB 0.285 32.783 32.500 -0.002 0.000 0.864 41 K HN 0.238 nan 8.250 nan 0.000 0.479 42 S N 1.714 117.413 115.700 -0.002 0.000 2.533 42 S HA 0.491 4.961 4.470 0.001 0.000 0.271 42 S C 0.267 174.867 174.600 -0.000 0.000 1.143 42 S CA -0.251 57.950 58.200 0.001 0.000 0.891 42 S CB 1.640 64.841 63.200 0.002 0.000 1.105 42 S HN 0.664 nan 8.310 nan 0.000 0.468 43 A N 2.002 124.824 122.820 0.002 0.000 2.119 43 A HA 0.227 4.548 4.320 0.001 0.000 0.217 43 A C 0.864 178.449 177.584 0.001 0.000 1.153 43 A CA 0.665 52.702 52.037 0.001 0.000 0.692 43 A CB -0.876 18.126 19.000 0.003 0.000 0.799 43 A HN 0.788 nan 8.150 nan 0.000 0.458 44 C N -0.315 118.987 119.300 0.004 0.000 2.345 44 C HA 0.626 5.087 4.460 0.001 0.000 0.370 44 C C 1.267 176.258 174.990 0.003 0.000 1.209 44 C CA -0.395 58.626 59.018 0.005 0.000 2.133 44 C CB 1.316 29.063 27.740 0.012 0.000 2.293 44 C HN 0.618 nan 8.230 nan 0.000 0.544 45 S N 0.706 116.408 115.700 0.003 0.000 2.608 45 S HA 0.232 4.702 4.470 0.001 0.000 0.261 45 S C 0.758 175.365 174.600 0.012 0.000 1.314 45 S CA -0.394 57.805 58.200 -0.002 0.000 0.992 45 S CB 0.268 63.462 63.200 -0.010 0.000 0.935 45 S HN 0.656 nan 8.310 nan 0.000 0.564 46 L N 0.993 122.219 121.223 0.006 0.000 2.027 46 L HA 0.026 4.367 4.340 0.001 0.000 0.206 46 L C 2.309 179.227 176.870 0.079 0.000 1.074 46 L CA 2.005 56.857 54.840 0.019 0.000 0.745 46 L CB -1.408 40.649 42.059 -0.004 0.000 0.898 46 L HN 0.829 nan 8.230 nan 0.000 0.433 47 E N -0.715 119.549 120.200 0.107 0.000 2.118 47 E HA -0.210 4.141 4.350 0.001 0.000 0.195 47 E C 2.378 179.149 176.600 0.285 0.000 0.992 47 E CA 1.400 57.967 56.400 0.279 0.000 0.804 47 E CB -0.553 29.156 29.700 0.016 0.000 0.741 47 E HN 0.541 nan 8.360 nan 0.000 0.458 48 S N 0.216 115.992 115.700 0.128 0.000 2.348 48 S HA -0.196 4.275 4.470 0.001 0.000 0.221 48 S C 1.743 176.395 174.600 0.086 0.000 1.033 48 S CA 1.733 59.993 58.200 0.099 0.000 1.010 48 S CB -0.386 62.843 63.200 0.049 0.000 0.891 48 S HN 0.320 nan 8.310 nan 0.000 0.442 49 N N 0.586 119.323 118.700 0.061 0.000 2.166 49 N HA -0.023 4.717 4.740 0.001 0.000 0.186 49 N C 1.832 177.361 175.510 0.032 0.000 1.019 49 N CA 1.344 54.417 53.050 0.037 0.000 0.856 49 N CB -0.246 38.254 38.487 0.021 0.000 0.993 49 N HN 0.340 nan 8.380 nan 0.000 0.426 50 L N 0.755 122.006 121.223 0.047 0.000 1.994 50 L HA -0.178 4.163 4.340 0.001 0.000 0.208 50 L C 2.475 179.316 176.870 -0.049 0.000 1.071 50 L CA 1.195 56.031 54.840 -0.007 0.000 0.745 50 L CB -0.337 41.716 42.059 -0.009 0.000 0.892 50 L HN 0.138 nan 8.230 nan 0.000 0.431 51 E N 0.389 120.589 120.200 0.000 0.000 2.110 51 E HA -0.152 4.199 4.350 0.001 0.000 0.193 51 E C 2.054 178.657 176.600 0.004 0.000 0.988 51 E CA 1.269 57.661 56.400 -0.014 0.000 0.804 51 E CB -0.387 29.394 29.700 0.135 0.000 0.745 51 E HN 0.384 nan 8.360 nan 0.000 0.458 52 G N 0.190 109.005 108.800 0.025 0.000 2.422 52 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 52 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 52 G C 1.449 176.350 174.900 0.002 0.000 1.140 52 G CA 0.857 45.968 45.100 0.019 0.000 0.775 52 G HN 0.338 nan 8.290 nan 0.000 0.545 53 L N 1.037 122.255 121.223 -0.008 0.000 2.162 53 L HA 0.393 4.734 4.340 0.001 0.000 0.205 53 L C 2.975 179.823 176.870 -0.036 0.000 1.086 53 L CA 1.716 56.545 54.840 -0.018 0.000 0.778 53 L CB -0.685 41.369 42.059 -0.009 0.000 0.928 53 L HN 0.190 nan 8.230 nan 0.000 0.446 54 A N -0.292 122.497 122.820 -0.053 0.000 1.908 54 A HA -0.109 4.212 4.320 0.001 0.000 0.218 54 A C 2.316 179.863 177.584 -0.062 0.000 1.181 54 A CA 1.669 53.662 52.037 -0.074 0.000 0.627 54 A CB -1.568 17.372 19.000 -0.100 0.000 0.818 54 A HN 0.517 nan 8.150 nan 0.000 0.445 55 G N -0.551 108.227 108.800 -0.037 0.000 2.421 55 G HA2 -0.117 3.844 3.960 0.001 0.000 0.216 55 G HA3 -0.117 3.844 3.960 0.001 0.000 0.216 55 G C 1.505 176.392 174.900 -0.021 0.000 1.171 55 G CA 1.286 46.373 45.100 -0.022 0.000 0.775 55 G HN 0.346 nan 8.290 nan 0.000 0.543 56 V N 1.016 120.922 119.914 -0.014 0.000 2.407 56 V HA -0.128 3.992 4.120 0.001 0.000 0.248 56 V C 2.893 178.977 176.094 -0.017 0.000 1.055 56 V CA 1.412 63.712 62.300 -0.000 0.000 1.049 56 V CB -0.454 31.375 31.823 0.010 0.000 0.662 56 V HN 0.327 nan 8.190 nan 0.000 0.455 57 L N -0.328 120.862 121.223 -0.054 0.000 2.072 57 L HA -0.151 4.190 4.340 0.001 0.000 0.205 57 L C 2.621 179.409 176.870 -0.137 0.000 1.079 57 L CA 1.707 56.489 54.840 -0.097 0.000 0.752 57 L CB -0.579 41.393 42.059 -0.144 0.000 0.906 57 L HN 0.392 nan 8.230 nan 0.000 0.436 58 E N 0.598 120.719 120.200 -0.131 0.000 2.085 58 E HA -0.267 4.084 4.350 0.001 0.000 0.194 58 E C 2.194 178.749 176.600 -0.073 0.000 0.994 58 E CA 1.318 57.641 56.400 -0.128 0.000 0.801 58 E CB 0.022 29.674 29.700 -0.081 0.000 0.743 58 E HN 0.467 nan 8.360 nan 0.000 0.453 59 A N 0.923 123.721 122.820 -0.037 0.000 1.972 59 A HA -0.159 4.162 4.320 0.001 0.000 0.219 59 A C 1.549 179.137 177.584 0.006 0.000 1.169 59 A CA 1.613 53.644 52.037 -0.009 0.000 0.635 59 A CB -0.117 18.889 19.000 0.009 0.000 0.810 59 A HN 0.217 nan 8.150 nan 0.000 0.446 60 D N -0.540 119.872 120.400 0.019 0.000 2.339 60 D HA 0.142 4.783 4.640 0.001 0.000 0.217 60 D C 1.639 177.965 176.300 0.044 0.000 1.050 60 D CA 0.007 54.057 54.000 0.083 0.000 0.856 60 D CB 0.110 41.022 40.800 0.186 0.000 0.922 60 D HN 0.410 nan 8.370 nan 0.000 0.518 61 L N 1.591 122.794 121.223 -0.033 0.000 2.046 61 L HA -0.108 4.232 4.340 0.001 0.000 0.208 61 L C -0.285 176.574 176.870 -0.018 0.000 1.077 61 L CA 1.328 56.136 54.840 -0.053 0.000 0.747 61 L CB -1.501 40.489 42.059 -0.116 0.000 0.896 61 L HN 0.074 nan 8.230 nan 0.000 0.432 62 P HA -0.133 nan 4.420 nan 0.000 0.217 62 P C 0.621 177.860 177.300 -0.102 0.000 1.150 62 P CA 1.474 64.547 63.100 -0.045 0.000 0.832 62 P CB -0.044 31.631 31.700 -0.042 0.000 0.787 63 N N -2.011 116.575 118.700 -0.190 0.000 2.322 63 N HA 0.018 4.758 4.740 0.001 0.000 0.181 63 N C 0.110 175.221 175.510 -0.665 0.000 1.088 63 N CA 0.548 53.329 53.050 -0.447 0.000 0.885 63 N CB 0.011 38.125 38.487 -0.622 0.000 1.013 63 N HN 0.247 nan 8.380 nan 0.000 0.472 64 Y N -0.192 120.116 120.300 0.014 0.000 2.734 64 Y HA 0.309 4.860 4.550 0.001 0.000 0.251 64 Y C 1.377 177.296 175.900 0.031 0.000 1.049 64 Y CA -0.941 57.171 58.100 0.021 0.000 1.103 64 Y CB 0.179 38.649 38.460 0.017 0.000 1.201 64 Y HN -0.168 nan 8.280 nan 0.000 0.618 65 K N 0.014 120.497 120.400 0.138 0.000 2.057 65 K HA -0.180 4.141 4.320 0.001 0.000 0.207 65 K C 2.327 179.054 176.600 0.212 0.000 1.049 65 K CA 1.789 58.178 56.287 0.170 0.000 0.931 65 K CB 0.047 32.648 32.500 0.168 0.000 0.714 65 K HN 0.247 nan 8.250 nan 0.000 0.440 66 S N 0.619 116.414 115.700 0.158 0.000 2.356 66 S HA -0.181 4.290 4.470 0.001 0.000 0.223 66 S C 1.947 176.625 174.600 0.129 0.000 1.032 66 S CA 1.728 60.005 58.200 0.129 0.000 1.005 66 S CB -0.211 63.045 63.200 0.094 0.000 0.867 66 S HN 0.412 nan 8.310 nan 0.000 0.449 67 K N 0.252 120.740 120.400 0.146 0.000 2.097 67 K HA 0.032 4.353 4.320 0.001 0.000 0.205 67 K C 1.992 178.648 176.600 0.094 0.000 1.050 67 K CA 1.356 57.704 56.287 0.101 0.000 0.938 67 K CB -0.217 32.335 32.500 0.086 0.000 0.718 67 K HN 0.444 nan 8.250 nan 0.000 0.442 68 I N 0.950 121.602 120.570 0.137 0.000 2.315 68 I HA -0.260 3.910 4.170 0.001 0.000 0.248 68 I C 2.121 178.381 176.117 0.238 0.000 1.117 68 I CA 0.866 62.248 61.300 0.136 0.000 1.404 68 I CB -0.125 37.924 38.000 0.082 0.000 1.071 68 I HN 0.171 nan 8.210 nan 0.000 0.419 69 L N 0.357 121.764 121.223 0.306 0.000 2.046 69 L HA -0.208 4.133 4.340 0.001 0.000 0.208 69 L C 2.806 179.772 176.870 0.159 0.000 1.077 69 L CA 1.326 56.341 54.840 0.291 0.000 0.747 69 L CB -0.490 41.677 42.059 0.180 0.000 0.896 69 L HN 0.223 nan 8.230 nan 0.000 0.432 70 R N 0.483 121.038 120.500 0.091 0.000 2.073 70 R HA -0.159 4.182 4.340 0.001 0.000 0.234 70 R C 2.344 178.652 176.300 0.014 0.000 1.134 70 R CA 1.368 57.485 56.100 0.030 0.000 0.952 70 R CB -0.246 30.065 30.300 0.018 0.000 0.850 70 R HN 0.272 nan 8.270 nan 0.000 0.433 71 L N 0.742 121.977 121.223 0.020 0.000 2.042 71 L HA -0.210 4.131 4.340 0.001 0.000 0.210 71 L C 2.484 179.322 176.870 -0.053 0.000 1.076 71 L CA 1.221 56.045 54.840 -0.026 0.000 0.749 71 L CB -0.392 41.649 42.059 -0.030 0.000 0.893 71 L HN 0.306 nan 8.230 nan 0.000 0.432 72 L N -1.387 119.853 121.223 0.029 0.000 2.056 72 L HA -0.240 4.101 4.340 0.001 0.000 0.207 72 L C 2.693 179.598 176.870 0.058 0.000 1.078 72 L CA 1.003 55.864 54.840 0.034 0.000 0.749 72 L CB -0.594 41.544 42.059 0.131 0.000 0.901 72 L HN 0.389 nan 8.230 nan 0.000 0.433 73 C N -0.589 118.768 119.300 0.095 0.000 2.422 73 C HA -0.139 4.322 4.460 0.001 0.000 0.279 73 C C 2.933 177.830 174.990 -0.156 0.000 1.305 73 C CA 1.350 60.303 59.018 -0.109 0.000 1.757 73 C CB -0.780 26.863 27.740 -0.161 0.000 1.962 73 C HN 0.540 nan 8.230 nan 0.000 0.499 74 T N 1.254 115.739 114.554 -0.115 0.000 2.737 74 T HA -0.154 4.197 4.350 0.001 0.000 0.265 74 T C 1.845 176.454 174.700 -0.152 0.000 1.038 74 T CA 1.933 63.966 62.100 -0.111 0.000 1.144 74 T CB -0.466 68.352 68.868 -0.084 0.000 0.866 74 T HN 0.530 nan 8.240 nan 0.000 0.434 75 V N 0.877 120.646 119.914 -0.243 0.000 2.626 75 V HA 0.049 4.170 4.120 0.001 0.000 0.252 75 V C 2.637 178.589 176.094 -0.236 0.000 1.067 75 V CA 1.290 63.394 62.300 -0.327 0.000 1.081 75 V CB -1.570 29.770 31.823 -0.804 0.000 0.686 75 V HN 0.424 nan 8.190 nan 0.000 0.468 76 A N 0.668 123.289 122.820 -0.332 0.000 1.930 76 A HA -0.141 4.180 4.320 0.001 0.000 0.217 76 A C 2.514 180.034 177.584 -0.107 0.000 1.175 76 A CA 1.938 53.711 52.037 -0.440 0.000 0.627 76 A CB -0.540 17.802 19.000 -1.097 0.000 0.815 76 A HN 0.595 nan 8.150 nan 0.000 0.443 77 R N -0.861 119.591 120.500 -0.080 0.000 2.140 77 R HA 0.210 4.550 4.340 0.001 0.000 0.213 77 R C 1.320 177.680 176.300 0.101 0.000 1.059 77 R CA 0.778 56.911 56.100 0.055 0.000 1.000 77 R CB -0.095 30.211 30.300 0.009 0.000 0.910 77 R HN 0.485 nan 8.270 nan 0.000 0.455 78 L N 0.083 121.312 121.223 0.011 0.000 2.638 78 L HA 0.204 4.545 4.340 0.001 0.000 0.232 78 L C -0.049 176.801 176.870 -0.034 0.000 1.099 78 L CA -0.127 54.715 54.840 0.004 0.000 0.883 78 L CB 0.686 42.742 42.059 -0.005 0.000 1.136 78 L HN 0.067 nan 8.230 nan 0.000 0.492 79 L N 1.134 122.345 121.223 -0.020 0.000 2.892 79 L HA 0.278 4.619 4.340 0.001 0.000 0.251 79 L C -1.353 175.555 176.870 0.062 0.000 1.339 79 L CA -1.149 53.718 54.840 0.045 0.000 0.900 79 L CB 0.371 42.521 42.059 0.153 0.000 1.246 79 L HN -0.176 nan 8.230 nan 0.000 0.524 80 P HA -0.213 nan 4.420 nan 0.000 0.219 80 P C 0.929 178.227 177.300 -0.003 0.000 1.146 80 P CA 1.176 64.191 63.100 -0.142 0.000 0.808 80 P CB 0.268 31.572 31.700 -0.660 0.000 0.779 81 E N 1.222 121.442 120.200 0.033 0.000 2.401 81 E HA -0.156 4.195 4.350 0.001 0.000 0.199 81 E C 0.925 177.633 176.600 0.179 0.000 1.023 81 E CA 0.978 57.462 56.400 0.141 0.000 0.859 81 E CB -0.475 29.321 29.700 0.160 0.000 0.780 81 E HN 0.338 nan 8.360 nan 0.000 0.523 82 K N 0.408 120.914 120.400 0.176 0.000 2.537 82 K HA 0.152 4.473 4.320 0.001 0.000 0.206 82 K C 1.273 177.971 176.600 0.163 0.000 1.041 82 K CA -0.261 56.109 56.287 0.137 0.000 1.090 82 K CB 0.356 32.934 32.500 0.129 0.000 0.833 82 K HN -0.063 nan 8.250 nan 0.000 0.493 83 L N 1.828 123.163 121.223 0.188 0.000 2.010 83 L HA -0.310 4.031 4.340 0.001 0.000 0.219 83 L C 2.195 179.101 176.870 0.060 0.000 1.077 83 L CA 2.646 57.577 54.840 0.152 0.000 0.773 83 L CB -1.020 41.004 42.059 -0.059 0.000 0.892 83 L HN 0.373 nan 8.230 nan 0.000 0.436 84 T N -3.229 111.382 114.554 0.096 0.000 2.951 84 T HA -0.094 4.257 4.350 0.001 0.000 0.268 84 T C 2.005 176.753 174.700 0.080 0.000 1.073 84 T CA 1.421 63.610 62.100 0.148 0.000 1.134 84 T CB -0.777 68.215 68.868 0.208 0.000 0.884 84 T HN 0.443 nan 8.240 nan 0.000 0.479 85 I N -0.426 120.124 120.570 -0.034 0.000 2.252 85 I HA -0.077 4.094 4.170 0.001 0.000 0.245 85 I C 2.172 178.181 176.117 -0.181 0.000 1.102 85 I CA 1.353 62.550 61.300 -0.173 0.000 1.385 85 I CB -0.296 37.478 38.000 -0.376 0.000 1.064 85 I HN 0.163 nan 8.210 nan 0.000 0.414 86 Y N 0.722 121.104 120.300 0.137 0.000 2.395 86 Y HA -0.141 4.410 4.550 0.001 0.000 0.293 86 Y C 2.949 178.945 175.900 0.159 0.000 1.123 86 Y CA 1.310 59.531 58.100 0.202 0.000 1.227 86 Y CB -1.204 37.481 38.460 0.376 0.000 1.012 86 Y HN 0.271 nan 8.280 nan 0.000 0.552 87 T N -4.059 110.509 114.554 0.022 0.000 2.821 87 T HA -0.144 4.207 4.350 0.001 0.000 0.267 87 T C 1.873 176.539 174.700 -0.057 0.000 1.046 87 T CA 1.748 63.687 62.100 -0.268 0.000 1.139 87 T CB -0.857 67.705 68.868 -0.511 0.000 0.871 87 T HN 0.210 nan 8.240 nan 0.000 0.454 88 T N 2.423 117.014 114.554 0.061 0.000 2.708 88 T HA 0.027 4.377 4.350 0.001 0.000 0.266 88 T C 1.792 176.477 174.700 -0.026 0.000 1.037 88 T CA 1.199 63.351 62.100 0.086 0.000 1.146 88 T CB -0.577 68.391 68.868 0.166 0.000 0.865 88 T HN 0.228 nan 8.240 nan 0.000 0.435 89 L N 1.540 122.763 121.223 0.000 0.000 2.042 89 L HA -0.071 4.270 4.340 0.001 0.000 0.210 89 L C 2.394 179.250 176.870 -0.023 0.000 1.076 89 L CA 1.573 56.404 54.840 -0.014 0.000 0.749 89 L CB -0.827 41.286 42.059 0.089 0.000 0.893 89 L HN 0.090 nan 8.230 nan 0.000 0.432 90 V N 0.004 119.911 119.914 -0.013 0.000 2.358 90 V HA -0.186 3.934 4.120 0.001 0.000 0.246 90 V C 2.627 178.712 176.094 -0.015 0.000 1.047 90 V CA 1.674 63.923 62.300 -0.084 0.000 1.035 90 V CB -1.586 30.111 31.823 -0.210 0.000 0.658 90 V HN 0.636 nan 8.190 nan 0.000 0.452 91 G N -0.097 108.692 108.800 -0.017 0.000 2.440 91 G HA2 -0.211 3.749 3.960 0.001 0.000 0.218 91 G HA3 -0.211 3.749 3.960 0.001 0.000 0.218 91 G C 1.570 176.476 174.900 0.010 0.000 1.154 91 G CA 0.947 46.053 45.100 0.010 0.000 0.767 91 G HN 0.466 nan 8.290 nan 0.000 0.552 92 L N -0.509 120.675 121.223 -0.066 0.000 2.093 92 L HA -0.021 4.320 4.340 0.001 0.000 0.208 92 L C 2.758 179.610 176.870 -0.030 0.000 1.085 92 L CA 0.292 55.070 54.840 -0.103 0.000 0.755 92 L CB -0.380 41.529 42.059 -0.250 0.000 0.904 92 L HN 0.139 nan 8.230 nan 0.000 0.435 93 L N -0.081 121.138 121.223 -0.007 0.000 2.109 93 L HA -0.153 4.188 4.340 0.001 0.000 0.207 93 L C 2.241 179.192 176.870 0.135 0.000 1.086 93 L CA 1.503 56.357 54.840 0.024 0.000 0.760 93 L CB -0.992 41.073 42.059 0.010 0.000 0.910 93 L HN 0.287 nan 8.230 nan 0.000 0.437 94 N N -0.233 118.568 118.700 0.169 0.000 2.244 94 N HA -0.148 4.593 4.740 0.001 0.000 0.183 94 N C 1.797 177.433 175.510 0.211 0.000 1.016 94 N CA 1.286 54.471 53.050 0.226 0.000 0.866 94 N CB 0.021 38.638 38.487 0.218 0.000 0.980 94 N HN 0.299 nan 8.380 nan 0.000 0.430 95 A N 0.520 123.425 122.820 0.142 0.000 1.898 95 A HA -0.037 4.284 4.320 0.001 0.000 0.216 95 A C 2.197 179.846 177.584 0.108 0.000 1.181 95 A CA 1.047 53.156 52.037 0.119 0.000 0.620 95 A CB -0.347 18.702 19.000 0.081 0.000 0.819 95 A HN 0.345 nan 8.150 nan 0.000 0.442 96 R N -1.205 119.347 120.500 0.087 0.000 2.153 96 R HA 0.044 4.385 4.340 0.001 0.000 0.218 96 R C 0.074 176.434 176.300 0.100 0.000 1.072 96 R CA 0.889 57.031 56.100 0.069 0.000 0.990 96 R CB 0.032 30.349 30.300 0.029 0.000 0.889 96 R HN 0.394 nan 8.270 nan 0.000 0.452 97 N N -0.238 118.553 118.700 0.150 0.000 2.653 97 N HA -0.031 4.709 4.740 0.001 0.000 0.261 97 N C -0.414 175.270 175.510 0.289 0.000 1.216 97 N CA -0.184 52.986 53.050 0.199 0.000 0.784 97 N CB 0.685 39.271 38.487 0.165 0.000 1.327 97 N HN -0.005 nan 8.380 nan 0.000 0.539 98 Y N 3.917 124.319 120.300 0.170 0.000 2.256 98 Y HA -0.144 4.407 4.550 0.001 0.000 0.288 98 Y C 1.445 177.511 175.900 0.276 0.000 1.155 98 Y CA 2.140 60.372 58.100 0.220 0.000 1.203 98 Y CB 0.061 38.597 38.460 0.127 0.000 0.980 98 Y HN 0.579 nan 8.280 nan 0.000 0.530 99 N N -1.002 117.835 118.700 0.229 0.000 2.080 99 N HA -0.221 4.520 4.740 0.001 0.000 0.189 99 N C 1.713 177.249 175.510 0.042 0.000 1.036 99 N CA 1.188 54.306 53.050 0.114 0.000 0.846 99 N CB -0.572 38.010 38.487 0.159 0.000 1.015 99 N HN 0.336 nan 8.380 nan 0.000 0.423 100 F N 1.957 121.916 119.950 0.015 0.000 2.161 100 F HA -0.081 4.447 4.527 0.001 0.000 0.300 100 F C 2.207 177.994 175.800 -0.021 0.000 1.089 100 F CA 1.529 59.534 58.000 0.008 0.000 1.282 100 F CB -0.707 38.309 39.000 0.027 0.000 1.010 100 F HN -0.055 nan 8.300 nan 0.000 0.485 101 G N -0.455 108.297 108.800 -0.080 0.000 2.422 101 G HA2 -0.204 3.757 3.960 0.001 0.000 0.218 101 G HA3 -0.204 3.757 3.960 0.001 0.000 0.218 101 G C 1.912 176.421 174.900 -0.653 0.000 1.146 101 G CA 0.668 45.641 45.100 -0.212 0.000 0.769 101 G HN 0.615 nan 8.290 nan 0.000 0.547 102 G N 0.156 108.450 108.800 -0.843 0.000 2.421 102 G HA2 -0.054 3.907 3.960 0.001 0.000 0.217 102 G HA3 -0.054 3.907 3.960 0.001 0.000 0.217 102 G C 1.588 176.222 174.900 -0.444 0.000 1.143 102 G CA 0.900 45.487 45.100 -0.854 0.000 0.784 102 G HN 0.500 nan 8.290 nan 0.000 0.541 103 E N -0.503 119.482 120.200 -0.359 0.000 2.072 103 E HA -0.070 4.281 4.350 0.001 0.000 0.191 103 E C 2.026 178.429 176.600 -0.328 0.000 0.985 103 E CA 0.498 56.728 56.400 -0.283 0.000 0.801 103 E CB -0.193 29.372 29.700 -0.225 0.000 0.750 103 E HN 0.428 nan 8.360 nan 0.000 0.452 104 F N 1.346 120.938 119.950 -0.596 0.000 2.095 104 F HA -0.247 4.281 4.527 0.001 0.000 0.298 104 F C 2.086 177.709 175.800 -0.295 0.000 1.104 104 F CA 1.213 58.919 58.000 -0.491 0.000 1.232 104 F CB -0.371 38.288 39.000 -0.569 0.000 0.987 104 F HN -0.203 nan 8.300 nan 0.000 0.475 105 V N 0.512 120.229 119.914 -0.329 0.000 2.343 105 V HA -0.310 3.811 4.120 0.001 0.000 0.247 105 V C 2.428 178.342 176.094 -0.300 0.000 1.051 105 V CA 2.276 64.392 62.300 -0.307 0.000 1.036 105 V CB -0.828 30.876 31.823 -0.199 0.000 0.654 105 V HN 0.448 nan 8.190 nan 0.000 0.451 106 E N 0.234 120.275 120.200 -0.264 0.000 2.077 106 E HA -0.243 4.108 4.350 0.001 0.000 0.193 106 E C 2.267 178.743 176.600 -0.207 0.000 0.989 106 E CA 1.402 57.689 56.400 -0.188 0.000 0.800 106 E CB -0.220 29.385 29.700 -0.158 0.000 0.746 106 E HN 0.566 nan 8.360 nan 0.000 0.452 107 A N 0.886 123.537 122.820 -0.281 0.000 1.933 107 A HA -0.194 4.127 4.320 0.001 0.000 0.218 107 A C 2.150 179.545 177.584 -0.315 0.000 1.175 107 A CA 1.482 53.353 52.037 -0.278 0.000 0.628 107 A CB -0.376 18.439 19.000 -0.308 0.000 0.814 107 A HN 0.271 nan 8.150 nan 0.000 0.444 108 M N -0.421 118.907 119.600 -0.453 0.000 2.099 108 M HA -0.075 4.405 4.480 0.001 0.000 0.262 108 M C 2.092 178.286 176.300 -0.177 0.000 1.067 108 M CA 1.216 56.283 55.300 -0.388 0.000 1.124 108 M CB -1.044 31.269 32.600 -0.478 0.000 1.353 108 M HN 0.315 nan 8.290 nan 0.000 0.410 109 I N -0.165 120.329 120.570 -0.126 0.000 2.226 109 I HA -0.281 3.890 4.170 0.001 0.000 0.245 109 I C 2.492 178.618 176.117 0.015 0.000 1.100 109 I CA 1.381 62.680 61.300 -0.001 0.000 1.374 109 I CB -1.086 36.929 38.000 0.024 0.000 1.057 109 I HN 0.367 nan 8.210 nan 0.000 0.413 110 R N 0.233 120.705 120.500 -0.048 0.000 2.081 110 R HA -0.236 4.105 4.340 0.001 0.000 0.235 110 R C 2.244 178.517 176.300 -0.045 0.000 1.131 110 R CA 1.542 57.615 56.100 -0.044 0.000 0.960 110 R CB -0.371 29.887 30.300 -0.070 0.000 0.856 110 R HN 0.311 nan 8.270 nan 0.000 0.436 111 Q N 1.118 120.872 119.800 -0.075 0.000 2.124 111 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 111 Q C 1.885 177.862 176.000 -0.038 0.000 0.977 111 Q CA 1.291 57.050 55.803 -0.073 0.000 0.850 111 Q CB -0.290 28.384 28.738 -0.108 0.000 0.901 111 Q HN 0.237 nan 8.270 nan 0.000 0.429 112 L N 0.442 121.667 121.223 0.004 0.000 2.017 112 L HA -0.139 4.202 4.340 0.001 0.000 0.208 112 L C 1.759 178.679 176.870 0.084 0.000 1.073 112 L CA 2.010 56.891 54.840 0.069 0.000 0.745 112 L CB -0.527 41.623 42.059 0.152 0.000 0.894 112 L HN 0.125 nan 8.230 nan 0.000 0.432 113 K N -0.675 119.787 120.400 0.104 0.000 2.057 113 K HA -0.192 4.129 4.320 0.001 0.000 0.207 113 K C 2.032 178.612 176.600 -0.034 0.000 1.049 113 K CA 1.547 57.868 56.287 0.057 0.000 0.931 113 K CB -0.177 32.335 32.500 0.019 0.000 0.714 113 K HN 0.220 nan 8.250 nan 0.000 0.440 114 E N 0.645 120.816 120.200 -0.049 0.000 2.110 114 E HA -0.086 4.265 4.350 0.001 0.000 0.193 114 E C 1.997 178.523 176.600 -0.123 0.000 0.988 114 E CA 1.026 57.378 56.400 -0.080 0.000 0.804 114 E CB -0.095 29.563 29.700 -0.069 0.000 0.745 114 E HN 0.095 nan 8.360 nan 0.000 0.458 115 S N -0.077 115.546 115.700 -0.128 0.000 2.368 115 S HA -0.056 4.415 4.470 0.001 0.000 0.224 115 S C 1.891 176.275 174.600 -0.360 0.000 1.029 115 S CA 0.727 58.810 58.200 -0.195 0.000 0.988 115 S CB -0.172 62.939 63.200 -0.148 0.000 0.838 115 S HN 0.186 nan 8.310 nan 0.000 0.462 116 L N 1.324 122.327 121.223 -0.367 0.000 2.056 116 L HA -0.091 4.250 4.340 0.001 0.000 0.207 116 L C 2.512 179.098 176.870 -0.472 0.000 1.078 116 L CA 1.263 55.735 54.840 -0.615 0.000 0.749 116 L CB -0.443 41.462 42.059 -0.256 0.000 0.901 116 L HN 0.250 nan 8.230 nan 0.000 0.433 117 K N 0.656 120.907 120.400 -0.247 0.000 2.103 117 K HA -0.165 4.156 4.320 0.001 0.000 0.207 117 K C 1.707 178.187 176.600 -0.201 0.000 1.048 117 K CA 1.406 57.588 56.287 -0.175 0.000 0.930 117 K CB -0.049 32.381 32.500 -0.117 0.000 0.716 117 K HN 0.294 nan 8.250 nan 0.000 0.444 118 A N 0.809 123.491 122.820 -0.230 0.000 2.302 118 A HA 0.077 4.398 4.320 0.001 0.000 0.219 118 A C -0.094 177.337 177.584 -0.255 0.000 1.243 118 A CA 0.106 52.022 52.037 -0.201 0.000 0.856 118 A CB -0.171 18.733 19.000 -0.159 0.000 0.893 118 A HN 0.558 nan 8.150 nan 0.000 0.491 119 N N 0.150 118.615 118.700 -0.392 0.000 2.741 119 N HA -0.129 4.612 4.740 0.001 0.000 0.250 119 N C -0.728 174.536 175.510 -0.409 0.000 1.115 119 N CA 0.842 53.636 53.050 -0.426 0.000 0.724 119 N CB -1.560 36.807 38.487 -0.200 0.000 1.090 119 N HN 0.590 nan 8.380 nan 0.000 0.558 120 N N 0.583 118.994 118.700 -0.482 0.000 3.209 120 N HA 0.114 4.855 4.740 0.001 0.000 0.309 120 N C 0.816 176.079 175.510 -0.412 0.000 1.384 120 N CA -0.155 52.703 53.050 -0.320 0.000 1.173 120 N CB -0.176 38.185 38.487 -0.211 0.000 1.460 120 N HN 0.331 nan 8.380 nan 0.000 0.534 121 Y N 0.864 120.922 120.300 -0.403 0.000 2.274 121 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 121 Y C 1.975 177.736 175.900 -0.232 0.000 1.145 121 Y CA 1.107 58.795 58.100 -0.686 0.000 1.203 121 Y CB -0.264 37.468 38.460 -1.213 0.000 0.984 121 Y HN 0.387 nan 8.280 nan 0.000 0.533 122 N N -0.079 118.613 118.700 -0.013 0.000 2.120 122 N HA -0.177 4.563 4.740 0.001 0.000 0.188 122 N C 1.548 176.896 175.510 -0.270 0.000 1.024 122 N CA 1.365 54.402 53.050 -0.023 0.000 0.852 122 N CB -0.134 38.346 38.487 -0.011 0.000 1.003 122 N HN 0.475 nan 8.380 nan 0.000 0.424 123 E N 0.537 120.640 120.200 -0.161 0.000 2.216 123 E HA -0.041 4.310 4.350 0.001 0.000 0.192 123 E C 1.996 178.559 176.600 -0.060 0.000 0.988 123 E CA 0.443 56.781 56.400 -0.105 0.000 0.834 123 E CB 0.008 29.729 29.700 0.035 0.000 0.772 123 E HN 0.368 nan 8.360 nan 0.000 0.479 124 A N 1.276 124.078 122.820 -0.030 0.000 1.940 124 A HA -0.159 4.162 4.320 0.001 0.000 0.219 124 A C 2.506 180.268 177.584 0.297 0.000 1.176 124 A CA 1.175 53.275 52.037 0.105 0.000 0.631 124 A CB -0.661 18.332 19.000 -0.012 0.000 0.814 124 A HN 0.112 nan 8.150 nan 0.000 0.446 125 V N -1.076 119.037 119.914 0.332 0.000 2.343 125 V HA -0.290 3.831 4.120 0.001 0.000 0.247 125 V C 2.404 178.590 176.094 0.153 0.000 1.051 125 V CA 1.980 64.431 62.300 0.252 0.000 1.036 125 V CB -1.253 30.680 31.823 0.183 0.000 0.654 125 V HN 0.656 nan 8.190 nan 0.000 0.451 126 Y N 0.082 120.507 120.300 0.207 0.000 2.274 126 Y HA -0.111 4.439 4.550 0.001 0.000 0.290 126 Y C 2.260 178.245 175.900 0.141 0.000 1.145 126 Y CA 0.662 58.842 58.100 0.134 0.000 1.203 126 Y CB -1.044 37.488 38.460 0.119 0.000 0.984 126 Y HN 0.169 nan 8.280 nan 0.000 0.533 127 L N -1.324 120.053 121.223 0.257 0.000 2.056 127 L HA -0.164 4.177 4.340 0.001 0.000 0.207 127 L C 2.319 179.303 176.870 0.189 0.000 1.078 127 L CA 0.756 55.708 54.840 0.186 0.000 0.749 127 L CB -0.834 41.286 42.059 0.102 0.000 0.901 127 L HN 0.041 nan 8.230 nan 0.000 0.433 128 V N -0.007 120.019 119.914 0.187 0.000 2.332 128 V HA -0.281 3.840 4.120 0.001 0.000 0.248 128 V C 2.619 178.786 176.094 0.122 0.000 1.055 128 V CA 1.750 64.132 62.300 0.135 0.000 1.038 128 V CB -0.648 31.302 31.823 0.212 0.000 0.651 128 V HN 0.415 nan 8.190 nan 0.000 0.450 129 R N -1.326 119.248 120.500 0.123 0.000 2.115 129 R HA -0.113 4.228 4.340 0.001 0.000 0.230 129 R C 2.217 178.504 176.300 -0.021 0.000 1.111 129 R CA 1.571 57.673 56.100 0.005 0.000 0.976 129 R CB -0.397 29.805 30.300 -0.164 0.000 0.870 129 R HN 0.503 nan 8.270 nan 0.000 0.445 130 F N 1.356 121.290 119.950 -0.026 0.000 2.186 130 F HA -0.102 4.426 4.527 0.001 0.000 0.299 130 F C 1.874 177.691 175.800 0.027 0.000 1.090 130 F CA 1.276 59.282 58.000 0.010 0.000 1.307 130 F CB -0.014 39.032 39.000 0.078 0.000 1.019 130 F HN -0.104 nan 8.300 nan 0.000 0.489 131 L N -1.088 120.264 121.223 0.214 0.000 2.093 131 L HA -0.207 4.134 4.340 0.001 0.000 0.208 131 L C 2.477 179.344 176.870 -0.005 0.000 1.085 131 L CA 1.235 56.135 54.840 0.101 0.000 0.755 131 L CB -0.895 41.170 42.059 0.010 0.000 0.904 131 L HN 0.035 nan 8.230 nan 0.000 0.435 132 S N -0.263 115.437 115.700 0.001 0.000 2.348 132 S HA -0.236 4.235 4.470 0.001 0.000 0.221 132 S C 1.617 176.216 174.600 -0.001 0.000 1.033 132 S CA 1.691 59.916 58.200 0.042 0.000 1.010 132 S CB -0.329 62.981 63.200 0.183 0.000 0.891 132 S HN 0.424 nan 8.310 nan 0.000 0.442 133 D N 1.081 121.445 120.400 -0.060 0.000 2.263 133 D HA -0.001 4.639 4.640 0.001 0.000 0.208 133 D C 1.678 177.827 176.300 -0.253 0.000 0.971 133 D CA 0.490 54.425 54.000 -0.110 0.000 0.867 133 D CB -0.230 40.479 40.800 -0.152 0.000 0.929 133 D HN 0.267 nan 8.370 nan 0.000 0.492 134 L N -0.537 120.552 121.223 -0.223 0.000 2.265 134 L HA -0.140 4.201 4.340 0.001 0.000 0.215 134 L C 2.235 179.010 176.870 -0.157 0.000 1.117 134 L CA 0.295 55.028 54.840 -0.179 0.000 0.782 134 L CB -0.121 41.929 42.059 -0.016 0.000 0.914 134 L HN 0.060 nan 8.230 nan 0.000 0.441 135 V N -0.014 119.821 119.914 -0.132 0.000 2.295 135 V HA -0.278 3.843 4.120 0.001 0.000 0.246 135 V C 2.110 178.047 176.094 -0.263 0.000 1.049 135 V CA 1.803 64.031 62.300 -0.120 0.000 1.024 135 V CB -0.633 31.153 31.823 -0.061 0.000 0.648 135 V HN 0.549 nan 8.190 nan 0.000 0.447 136 N N -0.309 118.190 118.700 -0.335 0.000 2.289 136 N HA -0.146 4.595 4.740 0.001 0.000 0.184 136 N C 1.467 176.535 175.510 -0.736 0.000 1.016 136 N CA 1.675 54.426 53.050 -0.498 0.000 0.872 136 N CB -0.461 37.730 38.487 -0.493 0.000 0.973 136 N HN 0.464 nan 8.380 nan 0.000 0.433 137 C N 0.269 119.192 119.300 -0.628 0.000 2.613 137 C HA 0.147 4.608 4.460 0.001 0.000 0.273 137 C C 0.336 175.240 174.990 -0.143 0.000 1.304 137 C CA -0.538 58.231 59.018 -0.416 0.000 1.702 137 C CB -1.763 25.782 27.740 -0.326 0.000 1.792 137 C HN 0.474 nan 8.230 nan 0.000 0.588 138 H N -1.075 117.956 119.070 -0.065 0.000 2.770 138 H HA -0.133 4.424 4.556 0.001 0.000 0.309 138 H C 0.926 176.276 175.328 0.036 0.000 1.206 138 H CA 0.939 56.985 56.048 -0.003 0.000 1.147 138 H CB -1.510 28.262 29.762 0.016 0.000 1.422 138 H HN 0.411 nan 8.280 nan 0.000 0.420 139 V N -0.693 119.288 119.914 0.112 0.000 3.048 139 V HA 0.163 4.284 4.120 0.001 0.000 0.241 139 V C 1.431 177.655 176.094 0.217 0.000 1.129 139 V CA 0.989 63.404 62.300 0.191 0.000 1.128 139 V CB 0.847 32.765 31.823 0.158 0.000 0.849 139 V HN 0.183 nan 8.190 nan 0.000 0.475 140 I N 0.504 121.144 120.570 0.117 0.000 2.509 140 I HA 0.623 4.794 4.170 0.001 0.000 0.293 140 I C 0.103 176.259 176.117 0.066 0.000 1.020 140 I CA -0.763 60.596 61.300 0.099 0.000 1.088 140 I CB 1.822 39.852 38.000 0.050 0.000 1.267 140 I HN 0.113 nan 8.210 nan 0.000 0.430 141 A N 4.089 126.950 122.820 0.068 0.000 2.450 141 A HA 0.487 4.808 4.320 0.001 0.000 0.255 141 A C 1.269 178.870 177.584 0.028 0.000 1.096 141 A CA 0.337 52.406 52.037 0.054 0.000 0.778 141 A CB 0.635 19.667 19.000 0.052 0.000 1.031 141 A HN 0.994 nan 8.150 nan 0.000 0.494 142 A N 4.455 127.294 122.820 0.030 0.000 1.903 142 A HA -0.103 4.218 4.320 0.001 0.000 0.219 142 A C -0.151 177.443 177.584 0.017 0.000 1.191 142 A CA 2.216 54.266 52.037 0.021 0.000 0.638 142 A CB -1.655 17.361 19.000 0.027 0.000 0.823 142 A HN 0.631 nan 8.150 nan 0.000 0.451 143 P HA -0.105 nan 4.420 nan 0.000 0.216 143 P C 1.728 179.027 177.300 -0.001 0.000 1.150 143 P CA 1.723 64.832 63.100 0.014 0.000 0.837 143 P CB -0.107 31.603 31.700 0.017 0.000 0.786 144 S N -1.193 114.502 115.700 -0.008 0.000 2.359 144 S HA -0.156 4.315 4.470 0.001 0.000 0.224 144 S C 1.861 176.401 174.600 -0.099 0.000 1.035 144 S CA 1.295 59.477 58.200 -0.030 0.000 1.018 144 S CB -0.798 62.394 63.200 -0.014 0.000 0.876 144 S HN 0.076 nan 8.310 nan 0.000 0.448 145 M N 0.972 120.493 119.600 -0.131 0.000 2.159 145 M HA -0.009 4.472 4.480 0.001 0.000 0.263 145 M C 2.189 178.336 176.300 -0.255 0.000 1.063 145 M CA 1.030 56.150 55.300 -0.301 0.000 1.110 145 M CB -1.450 31.024 32.600 -0.210 0.000 1.374 145 M HN 0.164 nan 8.290 nan 0.000 0.411 146 V N 0.302 120.203 119.914 -0.023 0.000 2.407 146 V HA -0.230 3.890 4.120 0.001 0.000 0.248 146 V C 2.650 178.756 176.094 0.019 0.000 1.055 146 V CA 1.734 64.086 62.300 0.086 0.000 1.049 146 V CB -1.368 30.506 31.823 0.085 0.000 0.662 146 V HN 0.476 nan 8.190 nan 0.000 0.455 147 A N -0.573 122.233 122.820 -0.024 0.000 1.898 147 A HA -0.246 4.074 4.320 0.001 0.000 0.216 147 A C 2.277 179.847 177.584 -0.025 0.000 1.181 147 A CA 2.265 54.296 52.037 -0.009 0.000 0.620 147 A CB -0.479 18.522 19.000 0.002 0.000 0.819 147 A HN 0.509 nan 8.150 nan 0.000 0.442 148 M N -1.667 117.852 119.600 -0.136 0.000 2.086 148 M HA -0.100 4.381 4.480 0.001 0.000 0.261 148 M C 1.729 177.888 176.300 -0.235 0.000 1.067 148 M CA 1.837 57.021 55.300 -0.192 0.000 1.116 148 M CB -0.228 32.084 32.600 -0.479 0.000 1.348 148 M HN 0.341 nan 8.290 nan 0.000 0.407 149 F N 1.359 121.123 119.950 -0.309 0.000 2.202 149 F HA -0.196 4.332 4.527 0.001 0.000 0.301 149 F C 2.211 177.839 175.800 -0.286 0.000 1.082 149 F CA 1.519 59.266 58.000 -0.421 0.000 1.313 149 F CB -0.968 37.791 39.000 -0.401 0.000 1.024 149 F HN 0.311 nan 8.300 nan 0.000 0.495 150 E N -0.138 120.064 120.200 0.004 0.000 2.077 150 E HA -0.207 4.144 4.350 0.001 0.000 0.193 150 E C 1.879 178.510 176.600 0.052 0.000 0.989 150 E CA 1.246 57.639 56.400 -0.013 0.000 0.800 150 E CB -0.310 29.397 29.700 0.011 0.000 0.746 150 E HN 0.398 nan 8.360 nan 0.000 0.452 151 N N 0.185 118.972 118.700 0.145 0.000 2.309 151 N HA -0.105 4.635 4.740 0.001 0.000 0.182 151 N C 1.543 177.216 175.510 0.272 0.000 1.018 151 N CA 0.816 53.990 53.050 0.207 0.000 0.876 151 N CB -0.161 38.515 38.487 0.314 0.000 0.972 151 N HN 0.086 nan 8.380 nan 0.000 0.434 152 F N 1.298 121.290 119.950 0.069 0.000 2.084 152 F HA -0.057 4.471 4.527 0.001 0.000 0.296 152 F C 2.418 178.197 175.800 -0.035 0.000 1.111 152 F CA 0.500 58.579 58.000 0.131 0.000 1.224 152 F CB -0.905 38.264 39.000 0.282 0.000 0.991 152 F HN -0.214 nan 8.300 nan 0.000 0.471 153 V N 0.043 120.003 119.914 0.077 0.000 2.490 153 V HA -0.255 3.866 4.120 0.001 0.000 0.250 153 V C 2.390 178.420 176.094 -0.108 0.000 1.061 153 V CA 1.756 64.005 62.300 -0.085 0.000 1.064 153 V CB -1.344 30.364 31.823 -0.192 0.000 0.670 153 V HN 0.491 nan 8.190 nan 0.000 0.461 154 S N -0.167 115.490 115.700 -0.071 0.000 2.442 154 S HA -0.146 4.325 4.470 0.001 0.000 0.236 154 S C 1.870 176.381 174.600 -0.147 0.000 1.007 154 S CA 1.385 59.533 58.200 -0.087 0.000 0.965 154 S CB -0.555 62.616 63.200 -0.049 0.000 0.773 154 S HN 0.353 nan 8.310 nan 0.000 0.504 155 V N 3.105 122.888 119.914 -0.218 0.000 2.594 155 V HA -0.160 3.961 4.120 0.001 0.000 0.253 155 V C 3.033 178.963 176.094 -0.275 0.000 1.069 155 V CA 2.011 64.128 62.300 -0.306 0.000 1.082 155 V CB -1.619 29.882 31.823 -0.536 0.000 0.680 155 V HN 0.904 nan 8.190 nan 0.000 0.469 156 T N -2.941 111.423 114.554 -0.317 0.000 3.051 156 T HA -0.153 4.198 4.350 0.001 0.000 0.269 156 T C 1.641 176.219 174.700 -0.203 0.000 1.127 156 T CA 0.777 62.620 62.100 -0.429 0.000 1.107 156 T CB -0.137 68.342 68.868 -0.648 0.000 0.898 156 T HN 0.398 nan 8.240 nan 0.000 0.517 157 Q N 0.967 120.679 119.800 -0.146 0.000 2.354 157 Q HA 0.184 4.524 4.340 0.001 0.000 0.203 157 Q C 0.592 176.547 176.000 -0.076 0.000 0.933 157 Q CA 0.375 56.129 55.803 -0.082 0.000 0.901 157 Q CB 0.039 28.737 28.738 -0.065 0.000 1.007 157 Q HN 0.755 nan 8.270 nan 0.000 0.495 158 E N 1.727 121.866 120.200 -0.101 0.000 2.481 158 E HA -0.025 4.326 4.350 0.001 0.000 0.263 158 E C -0.310 176.249 176.600 -0.068 0.000 0.992 158 E CA 0.498 56.848 56.400 -0.083 0.000 0.938 158 E CB 0.450 30.088 29.700 -0.103 0.000 0.933 158 E HN 0.119 nan 8.360 nan 0.000 0.453 159 E N 1.752 121.925 120.200 -0.046 0.000 2.222 159 E HA 0.064 4.415 4.350 0.001 0.000 0.272 159 E C -0.715 175.864 176.600 -0.036 0.000 0.982 159 E CA -0.644 55.734 56.400 -0.036 0.000 0.842 159 E CB 0.941 30.628 29.700 -0.022 0.000 1.144 159 E HN 0.402 nan 8.360 nan 0.000 0.397 160 D N 0.189 120.566 120.400 -0.037 0.000 2.699 160 D HA -0.149 4.492 4.640 0.001 0.000 0.239 160 D C -0.479 175.780 176.300 -0.068 0.000 1.136 160 D CA 0.818 54.797 54.000 -0.035 0.000 0.668 160 D CB -1.651 39.146 40.800 -0.005 0.000 1.060 160 D HN 0.227 nan 8.370 nan 0.000 0.429 161 V N -4.202 115.630 119.914 -0.137 0.000 2.823 161 V HA 0.747 4.868 4.120 0.001 0.000 0.312 161 V C -2.510 173.402 176.094 -0.303 0.000 1.072 161 V CA -2.229 59.890 62.300 -0.303 0.000 0.937 161 V CB 2.103 33.746 31.823 -0.300 0.000 1.013 161 V HN -0.270 nan 8.190 nan 0.000 0.430 162 P HA 0.074 nan 4.420 nan 0.000 0.265 162 P C 0.598 177.742 177.300 -0.261 0.000 1.187 162 P CA 0.275 63.205 63.100 -0.283 0.000 0.766 162 P CB 0.512 32.055 31.700 -0.262 0.000 0.820 163 Q N 2.927 122.632 119.800 -0.159 0.000 2.124 163 Q HA -0.152 4.188 4.340 0.001 0.000 0.202 163 Q C 1.443 177.376 176.000 -0.112 0.000 0.977 163 Q CA 1.811 57.567 55.803 -0.078 0.000 0.850 163 Q CB -0.316 28.395 28.738 -0.046 0.000 0.901 163 Q HN 0.382 nan 8.270 nan 0.000 0.429 164 V N -1.140 118.664 119.914 -0.182 0.000 2.867 164 V HA -0.189 3.932 4.120 0.001 0.000 0.260 164 V C 2.304 178.194 176.094 -0.341 0.000 1.099 164 V CA 1.984 64.178 62.300 -0.176 0.000 1.122 164 V CB -0.940 30.808 31.823 -0.125 0.000 0.708 164 V HN 0.340 nan 8.190 nan 0.000 0.490 165 R N 0.661 120.763 120.500 -0.663 0.000 2.055 165 R HA -0.017 4.324 4.340 0.001 0.000 0.226 165 R C 2.634 178.756 176.300 -0.296 0.000 1.135 165 R CA 1.200 56.688 56.100 -1.020 0.000 0.959 165 R CB -0.218 29.372 30.300 -1.184 0.000 0.854 165 R HN 0.444 nan 8.270 nan 0.000 0.431 166 R N 0.541 120.898 120.500 -0.239 0.000 2.081 166 R HA -0.113 4.227 4.340 0.001 0.000 0.235 166 R C 1.830 178.062 176.300 -0.113 0.000 1.131 166 R CA 1.677 57.644 56.100 -0.222 0.000 0.960 166 R CB -0.328 29.764 30.300 -0.346 0.000 0.856 166 R HN 0.329 nan 8.270 nan 0.000 0.436 167 D N -0.073 120.347 120.400 0.033 0.000 2.104 167 D HA -0.205 4.436 4.640 0.001 0.000 0.194 167 D C 1.463 177.848 176.300 0.142 0.000 0.994 167 D CA 0.926 55.008 54.000 0.136 0.000 0.830 167 D CB -0.398 40.498 40.800 0.159 0.000 0.959 167 D HN 0.276 nan 8.370 nan 0.000 0.452 168 W N 0.617 121.909 121.300 -0.014 0.000 2.335 168 W HA -0.262 4.399 4.660 0.001 0.000 0.311 168 W C 2.081 178.617 176.519 0.028 0.000 1.213 168 W CA 1.444 58.786 57.345 -0.006 0.000 1.274 168 W CB -0.678 28.638 29.460 -0.240 0.000 1.148 168 W HN -0.008 nan 8.180 nan 0.000 0.498 169 Y N -0.589 119.735 120.300 0.040 0.000 2.224 169 Y HA -0.237 4.314 4.550 0.001 0.000 0.289 169 Y C 2.466 178.343 175.900 -0.038 0.000 1.146 169 Y CA 1.922 59.962 58.100 -0.100 0.000 1.182 169 Y CB -1.036 37.395 38.460 -0.049 0.000 0.983 169 Y HN -0.233 nan 8.280 nan 0.000 0.524 170 V N -1.092 118.876 119.914 0.090 0.000 2.358 170 V HA -0.319 3.802 4.120 0.001 0.000 0.246 170 V C 1.949 178.085 176.094 0.070 0.000 1.047 170 V CA 1.969 64.333 62.300 0.106 0.000 1.035 170 V CB -0.853 31.014 31.823 0.074 0.000 0.658 170 V HN 0.445 nan 8.190 nan 0.000 0.452 171 Y N 1.463 121.671 120.300 -0.153 0.000 2.181 171 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 171 Y C 2.371 178.131 175.900 -0.234 0.000 1.146 171 Y CA 1.390 59.380 58.100 -0.182 0.000 1.164 171 Y CB -0.586 37.809 38.460 -0.109 0.000 0.982 171 Y HN 0.154 nan 8.280 nan 0.000 0.515 172 A N 0.063 122.607 122.820 -0.460 0.000 1.908 172 A HA -0.211 4.110 4.320 0.001 0.000 0.218 172 A C 2.153 179.674 177.584 -0.104 0.000 1.181 172 A CA 1.696 53.484 52.037 -0.415 0.000 0.627 172 A CB -1.485 17.145 19.000 -0.616 0.000 0.818 172 A HN 0.624 nan 8.150 nan 0.000 0.445 173 F N 0.777 120.611 119.950 -0.193 0.000 2.039 173 F HA -0.110 4.418 4.527 0.001 0.000 0.294 173 F C 1.944 177.428 175.800 -0.526 0.000 1.130 173 F CA 1.690 59.395 58.000 -0.490 0.000 1.189 173 F CB -0.854 37.927 39.000 -0.364 0.000 0.983 173 F HN 0.134 nan 8.300 nan 0.000 0.471 174 L N 0.529 121.323 121.223 -0.715 0.000 2.013 174 L HA -0.270 4.071 4.340 0.001 0.000 0.212 174 L C 2.623 179.182 176.870 -0.519 0.000 1.073 174 L CA 1.880 56.278 54.840 -0.737 0.000 0.753 174 L CB -1.300 40.508 42.059 -0.417 0.000 0.890 174 L HN 0.414 nan 8.230 nan 0.000 0.432 175 S N -2.029 113.381 115.700 -0.484 0.000 2.547 175 S HA -0.068 4.403 4.470 0.001 0.000 0.235 175 S C 1.843 176.515 174.600 0.121 0.000 0.980 175 S CA 1.002 59.050 58.200 -0.254 0.000 0.941 175 S CB -0.040 62.893 63.200 -0.445 0.000 0.763 175 S HN 0.300 nan 8.310 nan 0.000 0.532 176 S N 1.484 117.162 115.700 -0.037 0.000 2.439 176 S HA 0.300 4.771 4.470 0.001 0.000 0.224 176 S C 1.662 176.371 174.600 0.181 0.000 1.029 176 S CA 0.233 58.527 58.200 0.157 0.000 0.946 176 S CB -0.373 62.898 63.200 0.118 0.000 0.797 176 S HN 0.453 nan 8.310 nan 0.000 0.504 177 L N 1.591 122.746 121.223 -0.114 0.000 2.051 177 L HA -0.131 4.210 4.340 0.001 0.000 0.214 177 L C -0.900 175.995 176.870 0.041 0.000 1.076 177 L CA 1.471 56.246 54.840 -0.109 0.000 0.758 177 L CB -2.119 39.822 42.059 -0.198 0.000 0.890 177 L HN 0.204 nan 8.230 nan 0.000 0.433 178 P HA -0.205 nan 4.420 nan 0.000 0.217 178 P C 1.411 178.583 177.300 -0.214 0.000 1.148 178 P CA 1.576 64.584 63.100 -0.153 0.000 0.828 178 P CB -0.067 31.393 31.700 -0.400 0.000 0.783 179 W N -1.827 119.524 121.300 0.084 0.000 2.525 179 W HA 0.160 4.821 4.660 0.001 0.000 0.288 179 W C 1.737 178.286 176.519 0.050 0.000 1.200 179 W CA 0.614 58.011 57.345 0.087 0.000 1.349 179 W CB -0.617 28.897 29.460 0.090 0.000 1.102 179 W HN -0.260 nan 8.180 nan 0.000 0.558 180 V N 0.139 120.192 119.914 0.232 0.000 3.477 180 V HA 0.206 4.326 4.120 0.001 0.000 0.297 180 V C 1.905 177.969 176.094 -0.051 0.000 1.433 180 V CA 1.004 63.364 62.300 0.101 0.000 1.052 180 V CB -0.016 31.892 31.823 0.141 0.000 0.895 180 V HN 0.075 nan 8.190 nan 0.000 0.438 181 G N 0.483 109.194 108.800 -0.149 0.000 2.491 181 G HA2 -0.363 3.598 3.960 0.001 0.000 0.218 181 G HA3 -0.363 3.598 3.960 0.001 0.000 0.218 181 G C 1.469 175.878 174.900 -0.818 0.000 1.180 181 G CA 1.493 46.240 45.100 -0.588 0.000 0.774 181 G HN 0.509 nan 8.290 nan 0.000 0.562 182 K N 0.149 120.317 120.400 -0.387 0.000 2.001 182 K HA -0.209 4.112 4.320 0.001 0.000 0.214 182 K C 2.435 178.940 176.600 -0.159 0.000 1.050 182 K CA 1.939 58.095 56.287 -0.218 0.000 0.934 182 K CB -0.258 32.277 32.500 0.058 0.000 0.718 182 K HN 0.255 nan 8.250 nan 0.000 0.443 183 E N 0.942 121.095 120.200 -0.078 0.000 2.070 183 E HA -0.187 4.164 4.350 0.001 0.000 0.197 183 E C 1.972 178.548 176.600 -0.041 0.000 1.004 183 E CA 1.618 57.998 56.400 -0.034 0.000 0.805 183 E CB -0.326 29.361 29.700 -0.021 0.000 0.744 183 E HN 0.407 nan 8.360 nan 0.000 0.451 184 L N -0.720 120.461 121.223 -0.069 0.000 2.083 184 L HA -0.186 4.155 4.340 0.001 0.000 0.209 184 L C 2.285 179.149 176.870 -0.011 0.000 1.083 184 L CA 1.347 56.177 54.840 -0.016 0.000 0.752 184 L CB -0.512 41.566 42.059 0.032 0.000 0.899 184 L HN 0.242 nan 8.230 nan 0.000 0.433 185 Y N 1.040 121.165 120.300 -0.292 0.000 2.243 185 Y HA -0.154 4.397 4.550 0.001 0.000 0.293 185 Y C 2.463 178.311 175.900 -0.085 0.000 1.124 185 Y CA 1.212 59.178 58.100 -0.224 0.000 1.159 185 Y CB -0.026 38.174 38.460 -0.433 0.000 1.008 185 Y HN 0.179 nan 8.280 nan 0.000 0.527 186 E N -0.522 119.693 120.200 0.025 0.000 2.472 186 E HA -0.148 4.203 4.350 0.001 0.000 0.200 186 E C 1.476 178.066 176.600 -0.017 0.000 1.046 186 E CA 0.636 57.046 56.400 0.017 0.000 0.871 186 E CB 0.128 29.857 29.700 0.048 0.000 0.806 186 E HN 0.303 nan 8.360 nan 0.000 0.533 187 K N -0.293 120.089 120.400 -0.030 0.000 2.424 187 K HA 0.136 4.457 4.320 0.001 0.000 0.198 187 K C 0.729 177.307 176.600 -0.038 0.000 1.190 187 K CA 0.388 56.663 56.287 -0.020 0.000 0.935 187 K CB 0.928 33.430 32.500 0.004 0.000 1.087 187 K HN -0.147 nan 8.250 nan 0.000 0.524 188 K N 2.219 122.584 120.400 -0.059 0.000 3.209 188 K HA 0.064 4.384 4.320 0.001 0.000 0.202 188 K C 0.227 176.750 176.600 -0.129 0.000 1.109 188 K CA 0.071 56.323 56.287 -0.058 0.000 0.968 188 K CB 0.917 33.417 32.500 0.001 0.000 0.732 188 K HN 0.161 nan 8.250 nan 0.000 0.450 189 D N 0.398 120.608 120.400 -0.316 0.000 2.190 189 D HA -0.216 4.425 4.640 0.001 0.000 0.200 189 D C 1.304 177.400 176.300 -0.340 0.000 0.992 189 D CA 1.387 54.955 54.000 -0.719 0.000 0.854 189 D CB 0.217 40.388 40.800 -1.049 0.000 0.936 189 D HN 0.132 nan 8.370 nan 0.000 0.462 190 A N 1.031 123.749 122.820 -0.170 0.000 1.873 190 A HA -0.175 4.146 4.320 0.001 0.000 0.215 190 A C 2.180 179.769 177.584 0.009 0.000 1.186 190 A CA 1.646 53.647 52.037 -0.061 0.000 0.616 190 A CB -0.533 18.442 19.000 -0.041 0.000 0.823 190 A HN 0.154 nan 8.150 nan 0.000 0.442 191 E N -0.664 119.546 120.200 0.016 0.000 2.106 191 E HA -0.103 4.248 4.350 0.001 0.000 0.192 191 E C 2.046 178.728 176.600 0.136 0.000 0.984 191 E CA 1.156 57.594 56.400 0.063 0.000 0.806 191 E CB -0.233 29.498 29.700 0.052 0.000 0.750 191 E HN 0.423 nan 8.360 nan 0.000 0.458 192 M N 0.718 120.423 119.600 0.175 0.000 2.213 192 M HA -0.133 4.348 4.480 0.001 0.000 0.263 192 M C 1.158 177.772 176.300 0.524 0.000 1.062 192 M CA 1.264 56.799 55.300 0.390 0.000 1.105 192 M CB -0.555 32.328 32.600 0.472 0.000 1.385 192 M HN 0.098 nan 8.290 nan 0.000 0.417 193 D N -0.239 120.359 120.400 0.329 0.000 2.183 193 D HA -0.077 4.564 4.640 0.001 0.000 0.203 193 D C 2.137 178.619 176.300 0.303 0.000 0.969 193 D CA 0.788 54.982 54.000 0.323 0.000 0.842 193 D CB 0.022 40.934 40.800 0.187 0.000 0.957 193 D HN 0.412 nan 8.370 nan 0.000 0.484 194 R N 0.401 121.030 120.500 0.215 0.000 2.075 194 R HA -0.054 4.286 4.340 0.001 0.000 0.232 194 R C 2.285 178.689 176.300 0.173 0.000 1.126 194 R CA 0.579 56.774 56.100 0.159 0.000 0.963 194 R CB -0.066 30.294 30.300 0.099 0.000 0.858 194 R HN 0.171 nan 8.270 nan 0.000 0.435 195 I N 0.361 121.047 120.570 0.193 0.000 2.226 195 I HA -0.236 3.935 4.170 0.001 0.000 0.245 195 I C 2.144 178.372 176.117 0.185 0.000 1.100 195 I CA 1.457 62.814 61.300 0.096 0.000 1.374 195 I CB -1.041 36.947 38.000 -0.021 0.000 1.057 195 I HN 0.032 nan 8.210 nan 0.000 0.413 196 F N 1.253 121.373 119.950 0.283 0.000 2.216 196 F HA -0.161 4.367 4.527 0.001 0.000 0.300 196 F C 2.570 178.553 175.800 0.305 0.000 1.085 196 F CA 1.317 59.558 58.000 0.402 0.000 1.326 196 F CB -0.419 38.829 39.000 0.413 0.000 1.027 196 F HN 0.026 nan 8.300 nan 0.000 0.497 197 A N 0.400 123.442 122.820 0.369 0.000 1.855 197 A HA -0.226 4.095 4.320 0.001 0.000 0.215 197 A C 1.925 179.585 177.584 0.126 0.000 1.191 197 A CA 2.111 54.284 52.037 0.226 0.000 0.613 197 A CB -1.083 18.019 19.000 0.170 0.000 0.829 197 A HN 0.469 nan 8.150 nan 0.000 0.442 198 N N -0.850 117.908 118.700 0.097 0.000 2.166 198 N HA -0.109 4.632 4.740 0.001 0.000 0.186 198 N C 1.676 177.199 175.510 0.022 0.000 1.019 198 N CA 1.636 54.712 53.050 0.042 0.000 0.856 198 N CB -0.261 38.235 38.487 0.015 0.000 0.993 198 N HN 0.456 nan 8.380 nan 0.000 0.426 199 T N 0.737 115.300 114.554 0.015 0.000 2.674 199 T HA -0.199 4.151 4.350 0.001 0.000 0.265 199 T C 1.736 176.293 174.700 -0.237 0.000 1.039 199 T CA 1.197 63.270 62.100 -0.045 0.000 1.150 199 T CB -0.291 68.580 68.868 0.004 0.000 0.864 199 T HN 0.353 nan 8.240 nan 0.000 0.427 200 E N 1.036 121.044 120.200 -0.321 0.000 2.077 200 E HA -0.171 4.180 4.350 0.001 0.000 0.193 200 E C 2.373 178.802 176.600 -0.286 0.000 0.989 200 E CA 1.555 57.636 56.400 -0.532 0.000 0.800 200 E CB -0.119 29.494 29.700 -0.146 0.000 0.746 200 E HN 0.589 nan 8.360 nan 0.000 0.452 201 S N -0.263 115.371 115.700 -0.110 0.000 2.370 201 S HA -0.261 4.210 4.470 0.001 0.000 0.226 201 S C 2.066 176.613 174.600 -0.088 0.000 1.033 201 S CA 1.258 59.416 58.200 -0.070 0.000 1.011 201 S CB -0.864 62.331 63.200 -0.008 0.000 0.852 201 S HN 0.539 nan 8.310 nan 0.000 0.457 202 Y N 2.725 122.927 120.300 -0.164 0.000 2.114 202 Y HA 0.008 4.558 4.550 0.001 0.000 0.284 202 Y C 2.064 177.848 175.900 -0.192 0.000 1.143 202 Y CA 1.372 59.379 58.100 -0.155 0.000 1.135 202 Y CB -0.677 37.698 38.460 -0.141 0.000 0.980 202 Y HN 0.219 nan 8.280 nan 0.000 0.499 203 L N 0.214 121.160 121.223 -0.462 0.000 2.127 203 L HA -0.265 4.076 4.340 0.001 0.000 0.211 203 L C 2.371 178.967 176.870 -0.456 0.000 1.089 203 L CA 1.718 56.225 54.840 -0.554 0.000 0.757 203 L CB -0.544 41.154 42.059 -0.601 0.000 0.899 203 L HN 0.195 nan 8.230 nan 0.000 0.434 204 K N 0.240 120.423 120.400 -0.361 0.000 2.211 204 K HA -0.126 4.195 4.320 0.001 0.000 0.203 204 K C 1.938 178.401 176.600 -0.229 0.000 1.050 204 K CA 1.053 57.191 56.287 -0.248 0.000 0.945 204 K CB 0.009 32.405 32.500 -0.173 0.000 0.732 204 K HN 0.458 nan 8.250 nan 0.000 0.451 205 R N 0.590 120.921 120.500 -0.282 0.000 2.334 205 R HA 0.149 4.490 4.340 0.001 0.000 0.216 205 R C 0.185 176.322 176.300 -0.271 0.000 0.905 205 R CA -0.226 55.737 56.100 -0.228 0.000 1.064 205 R CB 0.046 30.249 30.300 -0.162 0.000 1.046 205 R HN -0.083 nan 8.270 nan 0.000 0.508 206 R N 1.893 122.151 120.500 -0.403 0.000 2.734 206 R HA 0.039 4.380 4.340 0.001 0.000 0.266 206 R C -0.068 176.131 176.300 -0.169 0.000 1.044 206 R CA 0.077 55.974 56.100 -0.338 0.000 1.128 206 R CB 0.393 30.458 30.300 -0.392 0.000 1.010 206 R HN 0.116 nan 8.270 nan 0.000 0.461 207 Q N 1.802 121.547 119.800 -0.092 0.000 2.260 207 Q HA 0.140 4.481 4.340 0.001 0.000 0.242 207 Q C 0.153 176.154 176.000 0.001 0.000 0.932 207 Q CA -0.027 55.748 55.803 -0.047 0.000 0.891 207 Q CB 1.261 29.985 28.738 -0.025 0.000 1.222 207 Q HN 0.386 nan 8.270 nan 0.000 0.453 208 K N 1.185 121.534 120.400 -0.085 0.000 2.506 208 K HA 0.146 4.466 4.320 0.001 0.000 0.204 208 K C 0.956 177.363 176.600 -0.320 0.000 1.045 208 K CA -0.010 56.114 56.287 -0.271 0.000 1.074 208 K CB 0.541 32.908 32.500 -0.222 0.000 0.842 208 K HN 0.516 nan 8.250 nan 0.000 0.514 209 T N 1.363 115.845 114.554 -0.121 0.000 2.778 209 T HA -0.175 4.176 4.350 0.001 0.000 0.269 209 T C 1.667 176.307 174.700 -0.101 0.000 1.050 209 T CA 1.746 63.792 62.100 -0.089 0.000 1.137 209 T CB -0.308 68.531 68.868 -0.049 0.000 0.860 209 T HN 0.446 nan 8.240 nan 0.000 0.468 210 H N 0.652 119.664 119.070 -0.098 0.000 2.428 210 H HA 0.114 4.671 4.556 0.001 0.000 0.296 210 H C 2.220 177.507 175.328 -0.070 0.000 1.062 210 H CA 0.755 56.741 56.048 -0.103 0.000 1.350 210 H CB -1.253 28.444 29.762 -0.108 0.000 1.403 210 H HN 0.227 nan 8.280 nan 0.000 0.533 211 V N 2.728 122.362 119.914 -0.466 0.000 2.236 211 V HA -0.259 3.862 4.120 0.001 0.000 0.255 211 V C -0.201 175.832 176.094 -0.102 0.000 1.068 211 V CA 2.849 65.000 62.300 -0.248 0.000 1.044 211 V CB -1.675 29.991 31.823 -0.260 0.000 0.653 211 V HN 0.421 nan 8.190 nan 0.000 0.448 212 P HA -0.189 nan 4.420 nan 0.000 0.218 212 P C 1.767 179.038 177.300 -0.048 0.000 1.146 212 P CA 1.640 64.707 63.100 -0.054 0.000 0.813 212 P CB -0.127 31.546 31.700 -0.045 0.000 0.778 213 M N -1.636 117.934 119.600 -0.049 0.000 2.506 213 M HA 0.038 4.519 4.480 0.001 0.000 0.260 213 M C 0.923 177.200 176.300 -0.039 0.000 1.104 213 M CA 1.316 56.589 55.300 -0.045 0.000 1.112 213 M CB -0.104 32.468 32.600 -0.046 0.000 1.401 213 M HN -0.105 nan 8.290 nan 0.000 0.473 214 L N -0.595 120.612 121.223 -0.027 0.000 2.664 214 L HA 0.246 4.587 4.340 0.001 0.000 0.233 214 L C 0.272 177.132 176.870 -0.017 0.000 1.113 214 L CA -0.229 54.599 54.840 -0.020 0.000 0.896 214 L CB 0.106 42.171 42.059 0.010 0.000 1.163 214 L HN 0.192 nan 8.230 nan 0.000 0.497 215 Q N 0.366 120.154 119.800 -0.020 0.000 2.304 215 Q HA 0.092 4.432 4.340 0.001 0.000 0.260 215 Q C 1.053 177.006 176.000 -0.078 0.000 0.965 215 Q CA -0.320 55.479 55.803 -0.006 0.000 0.898 215 Q CB 2.365 31.112 28.738 0.016 0.000 1.196 215 Q HN 0.022 nan 8.270 nan 0.000 0.402 216 V N 2.446 122.288 119.914 -0.120 0.000 2.667 216 V HA -0.093 4.028 4.120 0.001 0.000 0.252 216 V C 0.211 175.938 176.094 -0.613 0.000 1.065 216 V CA 1.070 63.106 62.300 -0.440 0.000 1.083 216 V CB -0.052 31.399 31.823 -0.620 0.000 0.692 216 V HN 0.663 nan 8.190 nan 0.000 0.468 217 W N -0.560 120.692 121.300 -0.080 0.000 2.915 217 W HA 0.353 5.014 4.660 0.001 0.000 0.337 217 W C 1.185 177.658 176.519 -0.076 0.000 1.102 217 W CA 0.000 57.284 57.345 -0.102 0.000 1.224 217 W CB 1.489 30.873 29.460 -0.126 0.000 1.416 217 W HN 0.070 nan 8.180 nan 0.000 0.503 218 T N -0.779 113.866 114.554 0.152 0.000 2.937 218 T HA 0.150 4.501 4.350 0.001 0.000 0.260 218 T C 1.032 175.769 174.700 0.062 0.000 1.051 218 T CA 0.598 62.743 62.100 0.074 0.000 1.141 218 T CB -0.092 68.798 68.868 0.038 0.000 0.879 218 T HN 0.376 nan 8.240 nan 0.000 0.459 219 A N 3.244 126.100 122.820 0.060 0.000 2.531 219 A HA 0.283 4.604 4.320 0.001 0.000 0.236 219 A C 1.157 178.730 177.584 -0.020 0.000 1.062 219 A CA 0.178 52.212 52.037 -0.006 0.000 0.760 219 A CB 0.047 19.010 19.000 -0.062 0.000 0.995 219 A HN 0.625 nan 8.150 nan 0.000 0.501 220 D N 0.365 120.741 120.400 -0.040 0.000 2.342 220 D HA 0.181 4.822 4.640 0.001 0.000 0.221 220 D C -0.100 176.142 176.300 -0.096 0.000 1.101 220 D CA 0.106 54.080 54.000 -0.043 0.000 0.837 220 D CB 0.201 40.985 40.800 -0.026 0.000 0.938 220 D HN 0.211 nan 8.370 nan 0.000 0.508 221 K N 1.159 121.474 120.400 -0.140 0.000 2.468 221 K HA 0.370 4.691 4.320 0.001 0.000 0.252 221 K C -1.919 174.511 176.600 -0.284 0.000 0.932 221 K CA -1.641 54.523 56.287 -0.205 0.000 0.794 221 K CB 2.573 34.977 32.500 -0.161 0.000 1.241 221 K HN -0.295 nan 8.250 nan 0.000 0.428 222 P HA -0.002 nan 4.420 nan 0.000 0.236 222 P C -0.712 176.159 177.300 -0.715 0.000 1.177 222 P CA 0.677 63.463 63.100 -0.522 0.000 0.773 222 P CB 0.423 31.765 31.700 -0.596 0.000 0.878 223 H N 0.022 118.956 119.070 -0.227 0.000 2.744 223 H HA 0.376 4.933 4.556 0.001 0.000 0.339 223 H C -2.649 172.604 175.328 -0.125 0.000 1.004 223 H CA -2.313 53.630 56.048 -0.174 0.000 1.257 223 H CB 1.894 31.529 29.762 -0.212 0.000 1.552 223 H HN -0.022 nan 8.280 nan 0.000 0.522 224 P HA 0.039 nan 4.420 nan 0.000 0.275 224 P C -0.180 177.167 177.300 0.079 0.000 1.227 224 P CA -0.432 62.691 63.100 0.039 0.000 0.781 224 P CB 0.856 32.577 31.700 0.034 0.000 0.906 225 Q N 2.554 122.410 119.800 0.093 0.000 2.456 225 Q HA 0.195 4.536 4.340 0.001 0.000 0.234 225 Q C -0.115 175.948 176.000 0.105 0.000 1.061 225 Q CA 0.051 55.925 55.803 0.117 0.000 0.896 225 Q CB 0.438 29.266 28.738 0.149 0.000 1.233 225 Q HN 0.498 nan 8.270 nan 0.000 0.506 226 E N 1.288 121.562 120.200 0.124 0.000 2.313 226 E HA 0.121 4.471 4.350 0.001 0.000 0.272 226 E C -0.116 176.568 176.600 0.140 0.000 1.038 226 E CA -0.609 55.865 56.400 0.124 0.000 0.863 226 E CB 1.252 31.047 29.700 0.158 0.000 1.060 226 E HN 0.259 nan 8.360 nan 0.000 0.402 227 E N 2.287 122.555 120.200 0.112 0.000 2.415 227 E HA -0.089 4.261 4.350 0.001 0.000 0.263 227 E C 0.437 177.163 176.600 0.210 0.000 0.995 227 E CA 0.092 56.589 56.400 0.160 0.000 0.915 227 E CB 0.394 30.144 29.700 0.083 0.000 0.951 227 E HN 0.596 nan 8.360 nan 0.000 0.449 228 Y N 4.640 124.993 120.300 0.088 0.000 2.181 228 Y HA -0.254 4.297 4.550 0.001 0.000 0.284 228 Y C 1.560 177.522 175.900 0.103 0.000 1.179 228 Y CA 1.483 59.642 58.100 0.098 0.000 1.179 228 Y CB -0.546 37.947 38.460 0.055 0.000 0.973 228 Y HN 0.513 nan 8.280 nan 0.000 0.519 229 L N 0.048 120.937 121.223 -0.556 0.000 2.131 229 L HA -0.116 4.225 4.340 0.001 0.000 0.206 229 L C 2.123 178.912 176.870 -0.134 0.000 1.087 229 L CA 1.259 55.820 54.840 -0.464 0.000 0.767 229 L CB -0.488 41.249 42.059 -0.537 0.000 0.917 229 L HN 0.192 nan 8.230 nan 0.000 0.441 230 D N -0.845 119.511 120.400 -0.073 0.000 2.144 230 D HA -0.198 4.443 4.640 0.001 0.000 0.200 230 D C 2.158 178.471 176.300 0.022 0.000 0.978 230 D CA 1.123 55.124 54.000 0.002 0.000 0.833 230 D CB -0.197 40.605 40.800 0.003 0.000 0.961 230 D HN 0.354 nan 8.370 nan 0.000 0.470 231 C N 0.469 119.780 119.300 0.018 0.000 2.462 231 C HA -0.087 4.374 4.460 0.001 0.000 0.278 231 C C 2.669 177.607 174.990 -0.087 0.000 1.253 231 C CA 0.318 59.328 59.018 -0.013 0.000 1.713 231 C CB -1.138 26.674 27.740 0.121 0.000 2.049 231 C HN 0.253 nan 8.230 nan 0.000 0.477 232 L N 0.916 122.106 121.223 -0.055 0.000 2.042 232 L HA -0.111 4.229 4.340 0.001 0.000 0.210 232 L C 2.240 179.028 176.870 -0.137 0.000 1.076 232 L CA 2.345 57.080 54.840 -0.175 0.000 0.749 232 L CB -1.216 40.727 42.059 -0.194 0.000 0.893 232 L HN 0.747 nan 8.230 nan 0.000 0.432 233 W N 0.298 121.466 121.300 -0.221 0.000 2.335 233 W HA -0.269 4.392 4.660 0.001 0.000 0.311 233 W C 2.138 178.545 176.519 -0.187 0.000 1.213 233 W CA 1.989 59.226 57.345 -0.180 0.000 1.274 233 W CB -0.220 29.157 29.460 -0.138 0.000 1.148 233 W HN 0.359 nan 8.180 nan 0.000 0.498 234 A N 0.879 123.557 122.820 -0.236 0.000 1.933 234 A HA -0.273 4.048 4.320 0.001 0.000 0.218 234 A C 1.912 179.245 177.584 -0.419 0.000 1.175 234 A CA 1.988 53.768 52.037 -0.429 0.000 0.628 234 A CB -0.974 17.593 19.000 -0.722 0.000 0.814 234 A HN 0.570 nan 8.150 nan 0.000 0.444 235 Q N -0.677 118.917 119.800 -0.343 0.000 2.119 235 Q HA -0.076 4.264 4.340 0.001 0.000 0.201 235 Q C 1.885 177.713 176.000 -0.286 0.000 0.972 235 Q CA 1.146 56.805 55.803 -0.241 0.000 0.847 235 Q CB -0.219 28.416 28.738 -0.173 0.000 0.903 235 Q HN 0.576 nan 8.270 nan 0.000 0.433 236 I N 0.880 121.244 120.570 -0.344 0.000 2.439 236 I HA -0.195 3.976 4.170 0.001 0.000 0.251 236 I C 2.228 178.044 176.117 -0.502 0.000 1.139 236 I CA 1.181 62.276 61.300 -0.342 0.000 1.438 236 I CB -0.971 36.867 38.000 -0.271 0.000 1.085 236 I HN 0.285 nan 8.210 nan 0.000 0.427 237 Q N 0.787 120.217 119.800 -0.617 0.000 2.084 237 Q HA -0.229 4.112 4.340 0.001 0.000 0.202 237 Q C 2.214 177.916 176.000 -0.498 0.000 0.978 237 Q CA 1.395 56.819 55.803 -0.631 0.000 0.844 237 Q CB -0.342 28.020 28.738 -0.626 0.000 0.898 237 Q HN 0.515 nan 8.270 nan 0.000 0.426 238 K N 0.509 120.677 120.400 -0.385 0.000 2.097 238 K HA -0.158 4.163 4.320 0.001 0.000 0.206 238 K C 2.098 178.480 176.600 -0.364 0.000 1.049 238 K CA 0.742 56.849 56.287 -0.300 0.000 0.933 238 K CB -0.109 32.279 32.500 -0.187 0.000 0.717 238 K HN 0.067 nan 8.250 nan 0.000 0.442 239 L N 1.893 122.866 121.223 -0.417 0.000 2.056 239 L HA -0.129 4.212 4.340 0.001 0.000 0.207 239 L C 2.281 178.632 176.870 -0.864 0.000 1.078 239 L CA 1.853 56.415 54.840 -0.463 0.000 0.749 239 L CB -0.545 41.320 42.059 -0.322 0.000 0.901 239 L HN 0.139 nan 8.230 nan 0.000 0.433 240 K N -0.334 119.306 120.400 -1.267 0.000 2.097 240 K HA -0.259 4.062 4.320 0.001 0.000 0.206 240 K C 2.302 178.289 176.600 -1.021 0.000 1.049 240 K CA 1.685 56.874 56.287 -1.831 0.000 0.933 240 K CB -0.159 31.423 32.500 -1.529 0.000 0.717 240 K HN 0.320 nan 8.250 nan 0.000 0.442 241 K N 0.347 120.353 120.400 -0.656 0.000 2.209 241 K HA -0.118 4.203 4.320 0.001 0.000 0.204 241 K C 0.221 176.615 176.600 -0.344 0.000 1.048 241 K CA 1.584 57.623 56.287 -0.414 0.000 0.940 241 K CB 0.158 32.474 32.500 -0.307 0.000 0.729 241 K HN 0.139 nan 8.250 nan 0.000 0.451 242 D N 0.950 121.125 120.400 -0.376 0.000 2.434 242 D HA 0.045 4.686 4.640 0.001 0.000 0.232 242 D C -0.411 175.745 176.300 -0.240 0.000 1.166 242 D CA 0.078 53.924 54.000 -0.256 0.000 0.830 242 D CB 0.245 40.921 40.800 -0.207 0.000 0.960 242 D HN 0.111 nan 8.370 nan 0.000 0.497 243 R N -1.567 118.740 120.500 -0.322 0.000 3.641 243 R HA -0.229 4.112 4.340 0.001 0.000 0.286 243 R C -0.510 175.767 176.300 -0.039 0.000 1.153 243 R CA 0.334 56.326 56.100 -0.179 0.000 0.775 243 R CB -2.857 27.424 30.300 -0.033 0.000 1.215 243 R HN 0.336 nan 8.270 nan 0.000 0.474 244 W N -1.913 119.296 121.300 -0.153 0.000 5.361 244 W HA -0.273 4.388 4.660 0.001 0.000 0.385 244 W C -0.147 176.316 176.519 -0.093 0.000 1.458 244 W CA 0.432 57.694 57.345 -0.138 0.000 0.922 244 W CB -1.285 28.103 29.460 -0.120 0.000 2.606 244 W HN 0.213 nan 8.180 nan 0.000 1.450 245 Q N 0.988 120.798 119.800 0.017 0.000 2.341 245 Q HA 0.380 4.721 4.340 0.001 0.000 0.268 245 Q C 0.323 176.305 176.000 -0.030 0.000 1.013 245 Q CA -0.372 55.435 55.803 0.008 0.000 0.798 245 Q CB 1.762 30.494 28.738 -0.010 0.000 1.253 245 Q HN 0.375 nan 8.270 nan 0.000 0.457 246 E N 0.561 120.748 120.200 -0.022 0.000 2.263 246 E HA 0.526 4.876 4.350 0.001 0.000 0.264 246 E C -0.371 176.213 176.600 -0.027 0.000 0.923 246 E CA -0.825 55.553 56.400 -0.036 0.000 0.802 246 E CB 1.302 30.971 29.700 -0.052 0.000 1.228 246 E HN 0.260 nan 8.360 nan 0.000 0.417 247 R N 0.062 120.557 120.500 -0.008 0.000 2.552 247 R HA 0.197 4.538 4.340 0.001 0.000 0.314 247 R C 0.183 176.501 176.300 0.031 0.000 1.041 247 R CA 0.160 56.259 56.100 -0.001 0.000 1.076 247 R CB -0.088 30.212 30.300 0.000 0.000 1.290 247 R HN 0.701 nan 8.270 nan 0.000 0.563 248 H N -0.178 118.853 119.070 -0.065 0.000 2.408 248 H HA 0.297 4.854 4.556 0.001 0.000 0.271 248 H C 0.279 175.564 175.328 -0.070 0.000 0.957 248 H CA 0.013 56.027 56.048 -0.057 0.000 1.170 248 H CB 0.480 30.220 29.762 -0.037 0.000 1.458 248 H HN -0.083 nan 8.280 nan 0.000 0.491 249 I N 3.136 123.576 120.570 -0.216 0.000 2.821 249 I HA -0.101 4.070 4.170 0.001 0.000 0.294 249 I C -0.115 175.873 176.117 -0.216 0.000 1.210 249 I CA 0.537 61.706 61.300 -0.218 0.000 1.430 249 I CB 0.366 38.250 38.000 -0.193 0.000 1.356 249 I HN 0.243 nan 8.210 nan 0.000 0.563 250 L N 8.052 129.153 121.223 -0.204 0.000 2.290 250 L HA 0.364 4.705 4.340 0.001 0.000 0.284 250 L C 0.266 177.031 176.870 -0.176 0.000 1.078 250 L CA -0.267 54.456 54.840 -0.195 0.000 0.815 250 L CB 0.479 42.423 42.059 -0.191 0.000 1.162 250 L HN 0.590 nan 8.230 nan 0.000 0.435 251 R N 4.014 124.331 120.500 -0.305 0.000 2.494 251 R HA 0.234 4.575 4.340 0.001 0.000 0.284 251 R C -2.010 173.885 176.300 -0.676 0.000 1.525 251 R CA -1.502 54.190 56.100 -0.680 0.000 1.460 251 R CB 1.029 30.836 30.300 -0.821 0.000 1.134 251 R HN 0.351 nan 8.270 nan 0.000 0.592 252 P HA -0.208 nan 4.420 nan 0.000 0.218 252 P C 0.576 177.925 177.300 0.081 0.000 1.146 252 P CA 1.209 64.255 63.100 -0.089 0.000 0.813 252 P CB 0.035 31.762 31.700 0.044 0.000 0.778 253 Y N -2.102 118.313 120.300 0.193 0.000 2.574 253 Y HA 0.014 4.565 4.550 0.001 0.000 0.294 253 Y C 1.756 177.776 175.900 0.201 0.000 1.142 253 Y CA 0.263 58.520 58.100 0.261 0.000 1.314 253 Y CB -1.819 36.714 38.460 0.121 0.000 0.991 253 Y HN -0.106 nan 8.280 nan 0.000 0.555 254 L N 0.317 121.550 121.223 0.017 0.000 2.376 254 L HA 0.007 4.348 4.340 0.001 0.000 0.219 254 L C 2.405 179.265 176.870 -0.017 0.000 1.133 254 L CA 0.792 55.654 54.840 0.038 0.000 0.816 254 L CB -0.414 41.597 42.059 -0.080 0.000 0.933 254 L HN 0.446 nan 8.230 nan 0.000 0.449 255 A N -1.118 121.634 122.820 -0.113 0.000 2.218 255 A HA 0.086 4.407 4.320 0.001 0.000 0.209 255 A C 1.016 178.267 177.584 -0.556 0.000 1.168 255 A CA 0.323 52.145 52.037 -0.358 0.000 0.804 255 A CB -0.224 18.461 19.000 -0.525 0.000 0.834 255 A HN 0.368 nan 8.150 nan 0.000 0.482 256 F N -0.641 119.349 119.950 0.066 0.000 2.850 256 F HA 0.170 4.698 4.527 0.001 0.000 0.329 256 F C 1.340 177.201 175.800 0.101 0.000 1.182 256 F CA -0.683 57.364 58.000 0.078 0.000 1.270 256 F CB 0.373 39.427 39.000 0.090 0.000 0.979 256 F HN 0.250 nan 8.300 nan 0.000 0.506 257 D N 0.305 120.814 120.400 0.183 0.000 2.182 257 D HA -0.158 4.483 4.640 0.001 0.000 0.201 257 D C 1.752 178.135 176.300 0.138 0.000 0.986 257 D CA 1.512 55.616 54.000 0.174 0.000 0.847 257 D CB 0.460 41.330 40.800 0.117 0.000 0.942 257 D HN 0.272 nan 8.370 nan 0.000 0.467 258 S N 0.346 116.112 115.700 0.111 0.000 2.343 258 S HA -0.137 4.334 4.470 0.001 0.000 0.219 258 S C 2.233 176.892 174.600 0.098 0.000 1.033 258 S CA 0.987 59.238 58.200 0.084 0.000 1.014 258 S CB -0.246 62.996 63.200 0.070 0.000 0.915 258 S HN 0.352 nan 8.310 nan 0.000 0.435 259 I N 1.507 122.166 120.570 0.148 0.000 2.163 259 I HA -0.167 4.004 4.170 0.001 0.000 0.240 259 I C 2.181 178.371 176.117 0.122 0.000 1.081 259 I CA 1.158 62.538 61.300 0.134 0.000 1.353 259 I CB -0.589 37.512 38.000 0.169 0.000 1.054 259 I HN 0.191 nan 8.210 nan 0.000 0.407 260 L N 0.086 121.416 121.223 0.178 0.000 2.079 260 L HA -0.246 4.095 4.340 0.001 0.000 0.210 260 L C 2.773 179.705 176.870 0.104 0.000 1.081 260 L CA 1.173 56.136 54.840 0.205 0.000 0.752 260 L CB -0.769 41.484 42.059 0.324 0.000 0.896 260 L HN 0.422 nan 8.230 nan 0.000 0.433 261 C N 0.013 119.333 119.300 0.034 0.000 2.425 261 C HA -0.148 4.313 4.460 0.001 0.000 0.277 261 C C 2.202 177.092 174.990 -0.167 0.000 1.280 261 C CA 0.666 59.568 59.018 -0.192 0.000 1.744 261 C CB -0.834 26.865 27.740 -0.068 0.000 1.989 261 C HN 0.466 nan 8.230 nan 0.000 0.491 262 E N 0.522 120.688 120.200 -0.057 0.000 2.403 262 E HA 0.265 4.616 4.350 0.001 0.000 0.187 262 E C 0.327 176.910 176.600 -0.029 0.000 1.073 262 E CA -0.259 56.114 56.400 -0.044 0.000 0.888 262 E CB 0.108 29.801 29.700 -0.013 0.000 1.035 262 E HN 0.591 nan 8.360 nan 0.000 0.471 263 A N 1.071 123.877 122.820 -0.023 0.000 2.305 263 A HA 0.446 4.766 4.320 0.001 0.000 0.322 263 A C -0.448 177.142 177.584 0.011 0.000 1.187 263 A CA -0.659 51.396 52.037 0.030 0.000 0.825 263 A CB 0.571 19.629 19.000 0.097 0.000 1.164 263 A HN 0.090 nan 8.150 nan 0.000 0.498 264 L N 1.817 123.047 121.223 0.012 0.000 2.397 264 L HA 0.266 4.607 4.340 0.001 0.000 0.271 264 L C 0.803 177.711 176.870 0.063 0.000 1.148 264 L CA 0.806 55.625 54.840 -0.035 0.000 0.825 264 L CB 0.657 42.528 42.059 -0.313 0.000 1.117 264 L HN 0.810 nan 8.230 nan 0.000 0.456 265 Q N 2.124 121.933 119.800 0.015 0.000 2.180 265 Q HA 0.462 4.803 4.340 0.001 0.000 0.241 265 Q C -0.986 174.940 176.000 -0.123 0.000 0.970 265 Q CA -0.700 55.099 55.803 -0.006 0.000 0.919 265 Q CB 1.437 30.218 28.738 0.070 0.000 1.222 265 Q HN 0.473 nan 8.270 nan 0.000 0.482 266 H N 0.401 119.548 119.070 0.128 0.000 2.622 266 H HA 0.378 4.935 4.556 0.001 0.000 0.363 266 H C -0.772 174.585 175.328 0.049 0.000 1.151 266 H CA -0.818 55.274 56.048 0.073 0.000 1.184 266 H CB 1.464 31.207 29.762 -0.032 0.000 1.643 266 H HN 0.512 nan 8.280 nan 0.000 0.531 267 N N 1.729 120.527 118.700 0.164 0.000 2.487 267 N HA 0.245 4.986 4.740 0.001 0.000 0.292 267 N C -0.228 175.321 175.510 0.066 0.000 1.108 267 N CA -0.522 52.584 53.050 0.092 0.000 0.956 267 N CB 1.884 40.415 38.487 0.074 0.000 1.176 267 N HN 0.353 nan 8.380 nan 0.000 0.484 268 L N 3.163 124.407 121.223 0.036 0.000 2.276 268 L HA 0.358 4.699 4.340 0.001 0.000 0.286 268 L C -1.663 175.230 176.870 0.037 0.000 1.061 268 L CA -1.640 53.213 54.840 0.022 0.000 0.807 268 L CB 1.073 43.124 42.059 -0.012 0.000 1.177 268 L HN 0.277 nan 8.230 nan 0.000 0.429 269 P HA 0.149 nan 4.420 nan 0.000 0.269 269 P C -2.537 174.810 177.300 0.078 0.000 1.209 269 P CA -1.059 62.070 63.100 0.049 0.000 0.776 269 P CB -0.315 31.407 31.700 0.036 0.000 0.876 270 P HA 0.013 nan 4.420 nan 0.000 0.261 270 P C -0.697 176.683 177.300 0.132 0.000 1.173 270 P CA 0.597 63.749 63.100 0.085 0.000 0.760 270 P CB -0.013 31.714 31.700 0.044 0.000 0.783 271 F N 3.202 123.176 119.950 0.041 0.000 2.436 271 F HA 0.416 4.944 4.527 0.001 0.000 0.340 271 F C -0.236 175.618 175.800 0.089 0.000 1.113 271 F CA -0.067 57.983 58.000 0.083 0.000 1.022 271 F CB 1.162 40.250 39.000 0.146 0.000 1.128 271 F HN 0.095 nan 8.300 nan 0.000 0.466 272 T N 7.710 121.915 114.554 -0.582 0.000 2.815 272 T HA 0.322 4.672 4.350 0.001 0.000 0.289 272 T C -2.715 171.645 174.700 -0.566 0.000 1.000 272 T CA -1.301 60.581 62.100 -0.363 0.000 0.958 272 T CB 1.191 69.921 68.868 -0.229 0.000 0.944 272 T HN 0.358 nan 8.240 nan 0.000 0.442 273 P HA 0.206 nan 4.420 nan 0.000 0.267 273 P C -2.741 174.515 177.300 -0.074 0.000 1.209 273 P CA -1.262 61.802 63.100 -0.059 0.000 0.763 273 P CB -0.262 31.299 31.700 -0.231 0.000 0.816 274 P HA 0.131 nan 4.420 nan 0.000 0.261 274 P C -2.139 175.200 177.300 0.064 0.000 1.183 274 P CA -0.440 62.667 63.100 0.011 0.000 0.761 274 P CB -0.910 30.815 31.700 0.041 0.000 0.785 275 P HA -0.047 nan 4.420 nan 0.000 0.267 275 P C -0.387 176.984 177.300 0.119 0.000 1.201 275 P CA 0.223 63.354 63.100 0.051 0.000 0.775 275 P CB 0.248 31.954 31.700 0.010 0.000 0.854 276 H N 1.024 120.140 119.070 0.077 0.000 2.803 276 H HA 0.382 4.939 4.556 0.001 0.000 0.330 276 H C -0.092 175.283 175.328 0.079 0.000 1.057 276 H CA 0.321 56.452 56.048 0.137 0.000 1.458 276 H CB 0.123 29.960 29.762 0.125 0.000 1.470 276 H HN 0.386 nan 8.280 nan 0.000 0.560 277 T N 0.953 115.156 114.554 -0.585 0.000 2.901 277 T HA 0.238 4.589 4.350 0.001 0.000 0.293 277 T C 0.767 175.145 174.700 -0.537 0.000 1.084 277 T CA -0.980 60.843 62.100 -0.463 0.000 1.008 277 T CB 1.462 70.208 68.868 -0.203 0.000 1.170 277 T HN 0.738 nan 8.240 nan 0.000 0.509 278 E N 0.079 120.110 120.200 -0.281 0.000 2.401 278 E HA -0.112 4.238 4.350 0.001 0.000 0.199 278 E C 0.225 176.759 176.600 -0.110 0.000 1.023 278 E CA 1.104 57.416 56.400 -0.147 0.000 0.859 278 E CB -0.058 29.601 29.700 -0.069 0.000 0.780 278 E HN 0.643 nan 8.360 nan 0.000 0.523 279 D N -0.217 120.101 120.400 -0.136 0.000 2.342 279 D HA 0.053 4.694 4.640 0.001 0.000 0.221 279 D C -0.479 175.736 176.300 -0.142 0.000 1.101 279 D CA 0.086 54.020 54.000 -0.110 0.000 0.837 279 D CB 0.549 41.292 40.800 -0.094 0.000 0.938 279 D HN -0.155 nan 8.370 nan 0.000 0.508 280 S N 0.274 115.867 115.700 -0.179 0.000 2.523 280 S HA 0.366 4.837 4.470 0.001 0.000 0.275 280 S C -0.114 174.246 174.600 -0.401 0.000 1.281 280 S CA -0.526 57.503 58.200 -0.285 0.000 1.050 280 S CB 1.465 64.551 63.200 -0.191 0.000 0.937 280 S HN -0.090 nan 8.310 nan 0.000 0.492 281 V N 4.754 124.373 119.914 -0.491 0.000 2.483 281 V HA 0.442 4.563 4.120 0.001 0.000 0.297 281 V C -1.211 174.603 176.094 -0.468 0.000 1.027 281 V CA -0.734 61.349 62.300 -0.361 0.000 0.855 281 V CB 0.673 32.401 31.823 -0.159 0.000 0.995 281 V HN 0.814 nan 8.190 nan 0.000 0.424 282 Y N 4.177 124.423 120.300 -0.089 0.000 2.528 282 Y HA 0.620 5.171 4.550 0.001 0.000 0.335 282 Y C -2.179 173.624 175.900 -0.161 0.000 1.093 282 Y CA -3.042 54.910 58.100 -0.246 0.000 1.134 282 Y CB 1.048 39.304 38.460 -0.340 0.000 1.253 282 Y HN 0.435 nan 8.280 nan 0.000 0.478 283 P HA 0.084 nan 4.420 nan 0.000 0.269 283 P C -0.528 176.717 177.300 -0.092 0.000 1.209 283 P CA 0.053 63.131 63.100 -0.038 0.000 0.776 283 P CB 0.502 32.202 31.700 -0.001 0.000 0.876 284 M N 3.952 123.457 119.600 -0.159 0.000 2.226 284 M HA 0.230 4.711 4.480 0.001 0.000 0.324 284 M C -1.761 174.363 176.300 -0.294 0.000 1.112 284 M CA -1.367 53.798 55.300 -0.225 0.000 1.176 284 M CB -0.004 32.439 32.600 -0.262 0.000 1.430 284 M HN 0.260 nan 8.290 nan 0.000 0.462 285 P HA 0.284 nan 4.420 nan 0.000 0.274 285 P C -1.252 175.832 177.300 -0.361 0.000 1.246 285 P CA -0.130 62.763 63.100 -0.344 0.000 0.795 285 P CB 0.839 32.291 31.700 -0.413 0.000 1.006 286 R N -0.279 119.922 120.500 -0.499 0.000 2.912 286 R HA 0.733 5.074 4.340 0.001 0.000 0.262 286 R C -1.050 175.280 176.300 0.051 0.000 1.057 286 R CA -1.192 54.744 56.100 -0.272 0.000 0.981 286 R CB 1.894 31.922 30.300 -0.453 0.000 1.201 286 R HN 0.199 nan 8.270 nan 0.000 0.484 287 V N 2.628 122.582 119.914 0.067 0.000 2.531 287 V HA 0.305 4.426 4.120 0.001 0.000 0.301 287 V C -0.302 175.888 176.094 0.159 0.000 1.034 287 V CA -0.882 61.500 62.300 0.137 0.000 0.865 287 V CB 1.986 33.869 31.823 0.100 0.000 0.995 287 V HN 0.538 nan 8.190 nan 0.000 0.424 288 I N 4.910 125.602 120.570 0.204 0.000 2.505 288 I HA 0.104 4.275 4.170 0.001 0.000 0.287 288 I C 0.158 176.423 176.117 0.247 0.000 1.104 288 I CA 0.287 61.728 61.300 0.236 0.000 1.387 288 I CB -0.178 37.971 38.000 0.248 0.000 1.404 288 I HN 0.543 nan 8.210 nan 0.000 0.528 289 F N 7.942 127.971 119.950 0.132 0.000 2.529 289 F HA 0.345 4.873 4.527 0.001 0.000 0.365 289 F C 0.406 176.293 175.800 0.145 0.000 1.102 289 F CA -0.010 58.074 58.000 0.140 0.000 1.271 289 F CB 0.384 39.458 39.000 0.123 0.000 1.120 289 F HN 0.494 nan 8.300 nan 0.000 0.579 290 R N 7.037 127.195 120.500 -0.570 0.000 2.515 290 R HA 0.351 4.692 4.340 0.001 0.000 0.278 290 R C -0.538 175.295 176.300 -0.778 0.000 1.107 290 R CA -0.258 55.541 56.100 -0.502 0.000 0.945 290 R CB 1.074 31.244 30.300 -0.217 0.000 1.219 290 R HN 0.833 nan 8.270 nan 0.000 0.434 291 M N 1.058 120.161 119.600 -0.828 0.000 2.163 291 M HA 0.497 4.978 4.480 0.001 0.000 0.356 291 M C -1.146 174.739 176.300 -0.692 0.000 0.863 291 M CA -0.081 54.735 55.300 -0.807 0.000 1.113 291 M CB 0.930 33.092 32.600 -0.729 0.000 2.038 291 M HN 0.175 nan 8.290 nan 0.000 0.691 292 F N 2.484 122.168 119.950 -0.444 0.000 2.538 292 F HA 0.718 5.246 4.527 0.001 0.000 0.325 292 F C -0.507 175.169 175.800 -0.207 0.000 1.066 292 F CA -1.413 56.461 58.000 -0.211 0.000 0.946 292 F CB 1.492 40.475 39.000 -0.029 0.000 1.199 292 F HN 0.260 nan 8.300 nan 0.000 0.473 293 D N -0.972 119.536 120.400 0.181 0.000 2.579 293 D HA 0.204 4.845 4.640 0.001 0.000 0.257 293 D C 0.345 176.651 176.300 0.010 0.000 1.176 293 D CA -0.717 53.372 54.000 0.149 0.000 0.914 293 D CB 0.238 41.183 40.800 0.241 0.000 1.431 293 D HN 0.431 nan 8.370 nan 0.000 0.454 294 Y N -0.852 119.417 120.300 -0.051 0.000 2.298 294 Y HA -0.151 4.400 4.550 0.001 0.000 0.287 294 Y C 1.934 177.753 175.900 -0.136 0.000 1.164 294 Y CA 1.773 59.803 58.100 -0.117 0.000 1.229 294 Y CB -1.709 36.706 38.460 -0.075 0.000 0.977 294 Y HN 0.456 nan 8.280 nan 0.000 0.538 295 T N -3.147 110.924 114.554 -0.805 0.000 3.113 295 T HA -0.077 4.273 4.350 0.001 0.000 0.263 295 T C 1.089 175.602 174.700 -0.311 0.000 1.143 295 T CA 0.965 62.700 62.100 -0.610 0.000 1.090 295 T CB -0.458 68.058 68.868 -0.587 0.000 0.922 295 T HN 0.448 nan 8.240 nan 0.000 0.521 296 D N 1.105 121.340 120.400 -0.276 0.000 2.348 296 D HA 0.079 4.720 4.640 0.001 0.000 0.211 296 D C 0.173 176.234 176.300 -0.398 0.000 0.998 296 D CA 0.581 54.453 54.000 -0.214 0.000 0.873 296 D CB 0.170 40.916 40.800 -0.089 0.000 0.925 296 D HN 0.512 nan 8.370 nan 0.000 0.524 297 D N 0.048 120.139 120.400 -0.515 0.000 2.656 297 D HA 0.102 4.743 4.640 0.001 0.000 0.303 297 D C -1.592 174.549 176.300 -0.265 0.000 1.199 297 D CA -1.594 52.081 54.000 -0.540 0.000 0.797 297 D CB 1.260 41.439 40.800 -1.034 0.000 1.170 297 D HN -0.135 nan 8.370 nan 0.000 0.509 298 P HA -0.120 nan 4.420 nan 0.000 0.216 298 P C 0.586 177.854 177.300 -0.053 0.000 1.153 298 P CA 0.916 63.963 63.100 -0.089 0.000 0.848 298 P CB 0.513 32.167 31.700 -0.076 0.000 0.787 299 E N 0.088 120.257 120.200 -0.051 0.000 2.359 299 E HA 0.299 4.650 4.350 0.001 0.000 0.187 299 E C 0.863 177.448 176.600 -0.024 0.000 1.081 299 E CA -0.109 56.276 56.400 -0.026 0.000 0.929 299 E CB -0.509 29.184 29.700 -0.012 0.000 1.086 299 E HN 0.301 nan 8.360 nan 0.000 0.462 300 G N 0.005 108.776 108.800 -0.049 0.000 3.015 300 G HA2 0.531 4.492 3.960 0.001 0.000 0.281 300 G HA3 0.531 4.492 3.960 0.001 0.000 0.281 300 G C -2.633 172.245 174.900 -0.036 0.000 1.386 300 G CA -1.651 43.425 45.100 -0.040 0.000 0.959 300 G HN -0.116 nan 8.290 nan 0.000 0.522 301 P HA 0.186 nan 4.420 nan 0.000 0.267 301 P C 0.001 177.296 177.300 -0.009 0.000 1.200 301 P CA -0.359 62.742 63.100 0.001 0.000 0.772 301 P CB 0.733 32.451 31.700 0.030 0.000 0.855 302 V N 4.564 124.481 119.914 0.005 0.000 2.450 302 V HA -0.042 4.078 4.120 0.001 0.000 0.281 302 V C 0.914 177.025 176.094 0.029 0.000 1.019 302 V CA 0.287 62.594 62.300 0.012 0.000 1.062 302 V CB -0.271 31.537 31.823 -0.026 0.000 0.979 302 V HN 0.604 nan 8.190 nan 0.000 0.477 303 M N 8.636 128.260 119.600 0.040 0.000 2.246 303 M HA 0.246 4.727 4.480 0.001 0.000 0.350 303 M C -2.184 174.179 176.300 0.105 0.000 1.406 303 M CA -1.238 54.100 55.300 0.065 0.000 1.089 303 M CB 0.823 33.413 32.600 -0.018 0.000 1.782 303 M HN 0.379 nan 8.290 nan 0.000 0.457 304 P HA 0.064 nan 4.420 nan 0.000 0.265 304 P C -0.344 177.018 177.300 0.103 0.000 1.193 304 P CA 0.061 63.214 63.100 0.088 0.000 0.765 304 P CB 0.416 32.161 31.700 0.075 0.000 0.823 305 G N 1.409 110.244 108.800 0.059 0.000 2.569 305 G HA2 0.070 4.031 3.960 0.001 0.000 0.249 305 G HA3 0.070 4.031 3.960 0.001 0.000 0.249 305 G C 1.098 176.060 174.900 0.104 0.000 1.216 305 G CA -0.352 44.792 45.100 0.072 0.000 0.845 305 G HN 0.399 nan 8.290 nan 0.000 0.568 306 S N -0.251 115.508 115.700 0.099 0.000 2.420 306 S HA -0.136 4.334 4.470 0.001 0.000 0.237 306 S C 1.386 176.146 174.600 0.265 0.000 1.023 306 S CA 1.149 59.432 58.200 0.138 0.000 0.991 306 S CB -0.257 62.985 63.200 0.070 0.000 0.792 306 S HN 0.698 nan 8.310 nan 0.000 0.488 307 H N 0.485 119.579 119.070 0.040 0.000 2.507 307 H HA 0.256 4.812 4.556 0.001 0.000 0.294 307 H C 0.272 175.587 175.328 -0.022 0.000 1.064 307 H CA -0.460 55.592 56.048 0.007 0.000 1.138 307 H CB 0.288 30.041 29.762 -0.015 0.000 1.515 307 H HN 0.300 nan 8.280 nan 0.000 0.547 308 S N 0.153 115.918 115.700 0.108 0.000 2.565 308 S HA 0.128 4.599 4.470 0.001 0.000 0.290 308 S C 1.568 176.197 174.600 0.047 0.000 1.150 308 S CA -0.659 57.562 58.200 0.035 0.000 1.058 308 S CB 1.937 65.150 63.200 0.023 0.000 1.032 308 S HN 0.142 nan 8.310 nan 0.000 0.510 309 V N -0.312 119.604 119.914 0.003 0.000 2.759 309 V HA -0.070 4.050 4.120 0.001 0.000 0.256 309 V C 1.944 178.084 176.094 0.077 0.000 1.080 309 V CA 1.596 63.922 62.300 0.043 0.000 1.101 309 V CB -1.491 30.309 31.823 -0.037 0.000 0.698 309 V HN 0.825 nan 8.190 nan 0.000 0.477 310 E N 0.863 121.074 120.200 0.018 0.000 2.077 310 E HA -0.171 4.180 4.350 0.001 0.000 0.193 310 E C 2.307 178.849 176.600 -0.098 0.000 0.989 310 E CA 1.505 57.883 56.400 -0.037 0.000 0.800 310 E CB -0.414 29.275 29.700 -0.019 0.000 0.746 310 E HN 0.513 nan 8.360 nan 0.000 0.452 311 R N 0.030 120.529 120.500 -0.003 0.000 2.091 311 R HA -0.130 4.211 4.340 0.001 0.000 0.238 311 R C 1.976 178.309 176.300 0.055 0.000 1.136 311 R CA 1.263 57.371 56.100 0.014 0.000 0.959 311 R CB -0.794 29.578 30.300 0.120 0.000 0.856 311 R HN 0.267 nan 8.270 nan 0.000 0.437 312 F N -0.151 119.808 119.950 0.014 0.000 2.102 312 F HA -0.154 4.374 4.527 0.001 0.000 0.298 312 F C 1.844 177.699 175.800 0.092 0.000 1.105 312 F CA 1.624 59.671 58.000 0.079 0.000 1.239 312 F CB -0.516 38.532 39.000 0.081 0.000 0.991 312 F HN -0.133 nan 8.300 nan 0.000 0.474 313 V N 0.941 120.812 119.914 -0.071 0.000 2.343 313 V HA -0.305 3.816 4.120 0.001 0.000 0.247 313 V C 2.497 178.538 176.094 -0.089 0.000 1.051 313 V CA 2.090 64.344 62.300 -0.076 0.000 1.036 313 V CB -0.682 31.160 31.823 0.031 0.000 0.654 313 V HN 0.388 nan 8.190 nan 0.000 0.451 314 I N -0.041 120.382 120.570 -0.245 0.000 2.127 314 I HA -0.278 3.893 4.170 0.001 0.000 0.241 314 I C 2.641 178.570 176.117 -0.314 0.000 1.075 314 I CA 1.897 62.990 61.300 -0.347 0.000 1.334 314 I CB -0.451 37.196 38.000 -0.588 0.000 1.040 314 I HN 0.392 nan 8.210 nan 0.000 0.405 315 E N 0.273 120.337 120.200 -0.226 0.000 2.077 315 E HA -0.290 4.061 4.350 0.001 0.000 0.193 315 E C 2.024 178.588 176.600 -0.060 0.000 0.989 315 E CA 1.410 57.720 56.400 -0.149 0.000 0.800 315 E CB -0.134 29.574 29.700 0.012 0.000 0.746 315 E HN 0.403 nan 8.360 nan 0.000 0.452 316 E N 1.360 121.506 120.200 -0.090 0.000 2.077 316 E HA -0.181 4.170 4.350 0.001 0.000 0.193 316 E C 1.707 178.341 176.600 0.056 0.000 0.989 316 E CA 1.344 57.737 56.400 -0.011 0.000 0.800 316 E CB -0.024 29.509 29.700 -0.278 0.000 0.746 316 E HN 0.093 nan 8.360 nan 0.000 0.452 317 N N -0.078 118.624 118.700 0.002 0.000 2.216 317 N HA -0.069 4.672 4.740 0.001 0.000 0.183 317 N C 1.808 177.266 175.510 -0.087 0.000 1.017 317 N CA 1.016 54.085 53.050 0.032 0.000 0.861 317 N CB -0.189 38.398 38.487 0.166 0.000 0.986 317 N HN 0.253 nan 8.380 nan 0.000 0.428 318 L N 0.175 121.242 121.223 -0.259 0.000 2.093 318 L HA -0.118 4.222 4.340 0.001 0.000 0.208 318 L C 2.198 179.011 176.870 -0.095 0.000 1.085 318 L CA 0.906 55.591 54.840 -0.259 0.000 0.755 318 L CB -0.453 41.392 42.059 -0.357 0.000 0.904 318 L HN 0.276 nan 8.230 nan 0.000 0.435 319 H N -0.883 118.180 119.070 -0.013 0.000 2.353 319 H HA -0.139 4.418 4.556 0.001 0.000 0.300 319 H C 2.467 177.849 175.328 0.089 0.000 1.090 319 H CA 1.722 57.802 56.048 0.053 0.000 1.327 319 H CB -0.229 29.566 29.762 0.056 0.000 1.383 319 H HN 0.402 nan 8.280 nan 0.000 0.508 320 C N 0.547 119.960 119.300 0.187 0.000 2.429 320 C HA -0.098 4.363 4.460 0.001 0.000 0.277 320 C C 3.014 178.075 174.990 0.118 0.000 1.262 320 C CA 0.394 59.482 59.018 0.115 0.000 1.733 320 C CB -1.068 26.687 27.740 0.025 0.000 2.010 320 C HN 0.432 nan 8.230 nan 0.000 0.483 321 I N 0.578 121.225 120.570 0.127 0.000 2.179 321 I HA -0.219 3.952 4.170 0.001 0.000 0.242 321 I C 2.289 178.539 176.117 0.222 0.000 1.088 321 I CA 1.743 63.159 61.300 0.193 0.000 1.357 321 I CB -0.354 37.735 38.000 0.148 0.000 1.051 321 I HN 0.309 nan 8.210 nan 0.000 0.409 322 I N 0.660 121.334 120.570 0.174 0.000 2.286 322 I HA -0.312 3.859 4.170 0.001 0.000 0.248 322 I C 2.615 178.844 176.117 0.186 0.000 1.115 322 I CA 1.325 62.728 61.300 0.172 0.000 1.392 322 I CB -0.349 37.767 38.000 0.194 0.000 1.065 322 I HN 0.210 nan 8.210 nan 0.000 0.418 323 K N 0.793 121.346 120.400 0.254 0.000 2.097 323 K HA -0.165 4.156 4.320 0.001 0.000 0.206 323 K C 2.178 178.931 176.600 0.256 0.000 1.049 323 K CA 1.810 58.280 56.287 0.304 0.000 0.933 323 K CB 0.026 32.677 32.500 0.250 0.000 0.717 323 K HN 0.139 nan 8.250 nan 0.000 0.442 324 S N -0.183 115.560 115.700 0.071 0.000 2.371 324 S HA -0.050 4.421 4.470 0.001 0.000 0.224 324 S C 0.970 175.336 174.600 -0.389 0.000 1.029 324 S CA 0.661 58.742 58.200 -0.197 0.000 0.978 324 S CB -0.135 62.802 63.200 -0.438 0.000 0.833 324 S HN 0.450 nan 8.310 nan 0.000 0.466 325 H N 0.188 119.296 119.070 0.063 0.000 2.486 325 H HA 0.101 4.658 4.556 0.001 0.000 0.284 325 H C 1.261 176.521 175.328 -0.114 0.000 1.103 325 H CA -0.258 55.763 56.048 -0.046 0.000 1.089 325 H CB -0.311 29.435 29.762 -0.025 0.000 1.603 325 H HN 0.641 nan 8.280 nan 0.000 0.557 326 W N 2.197 123.406 121.300 -0.153 0.000 2.364 326 W HA -0.110 4.551 4.660 0.001 0.000 0.281 326 W C 0.690 177.100 176.519 -0.182 0.000 1.219 326 W CA 0.367 57.536 57.345 -0.294 0.000 1.220 326 W CB -0.510 28.521 29.460 -0.715 0.000 1.127 326 W HN 0.044 nan 8.180 nan 0.000 0.556 327 K N 0.582 120.394 120.400 -0.980 0.000 2.296 327 K HA -0.030 4.290 4.320 0.001 0.000 0.200 327 K C 0.389 176.773 176.600 -0.360 0.000 1.048 327 K CA 0.805 56.590 56.287 -0.837 0.000 0.966 327 K CB -0.044 31.880 32.500 -0.960 0.000 0.754 327 K HN 0.017 nan 8.250 nan 0.000 0.466 328 E N 1.649 121.710 120.200 -0.231 0.000 2.173 328 E HA 0.046 4.397 4.350 0.001 0.000 0.249 328 E C 0.489 177.048 176.600 -0.069 0.000 0.923 328 E CA -0.164 56.167 56.400 -0.117 0.000 0.754 328 E CB 1.184 30.841 29.700 -0.070 0.000 1.177 328 E HN 0.262 nan 8.360 nan 0.000 0.430 329 R N 2.057 122.521 120.500 -0.062 0.000 2.105 329 R HA -0.133 4.208 4.340 0.001 0.000 0.239 329 R C 1.446 177.732 176.300 -0.023 0.000 1.135 329 R CA 1.077 57.157 56.100 -0.033 0.000 0.967 329 R CB -0.024 30.263 30.300 -0.022 0.000 0.861 329 R HN 0.089 nan 8.270 nan 0.000 0.442 330 K N 0.206 120.589 120.400 -0.028 0.000 2.062 330 K HA -0.023 4.298 4.320 0.001 0.000 0.205 330 K C 1.978 178.555 176.600 -0.038 0.000 1.051 330 K CA 1.888 58.161 56.287 -0.023 0.000 0.941 330 K CB 0.069 32.556 32.500 -0.022 0.000 0.719 330 K HN 0.201 nan 8.250 nan 0.000 0.440 331 T N 0.142 114.663 114.554 -0.055 0.000 2.867 331 T HA -0.154 4.197 4.350 0.001 0.000 0.268 331 T C 1.885 176.502 174.700 -0.138 0.000 1.057 331 T CA 0.977 63.017 62.100 -0.100 0.000 1.136 331 T CB -0.318 68.490 68.868 -0.100 0.000 0.874 331 T HN 0.360 nan 8.240 nan 0.000 0.466 332 C N 1.603 120.866 119.300 -0.063 0.000 2.453 332 C HA 0.136 4.597 4.460 0.001 0.000 0.277 332 C C 3.121 178.098 174.990 -0.023 0.000 1.262 332 C CA 0.752 59.759 59.018 -0.018 0.000 1.718 332 C CB -1.375 26.385 27.740 0.033 0.000 2.031 332 C HN 0.600 nan 8.230 nan 0.000 0.480 333 A N 0.193 123.003 122.820 -0.016 0.000 1.933 333 A HA 0.095 4.416 4.320 0.001 0.000 0.218 333 A C 2.420 180.000 177.584 -0.007 0.000 1.175 333 A CA 2.172 54.208 52.037 -0.002 0.000 0.628 333 A CB -1.038 17.967 19.000 0.008 0.000 0.814 333 A HN 0.793 nan 8.150 nan 0.000 0.444 334 A N -1.243 121.560 122.820 -0.028 0.000 1.898 334 A HA -0.146 4.175 4.320 0.001 0.000 0.216 334 A C 2.112 179.679 177.584 -0.027 0.000 1.181 334 A CA 1.573 53.593 52.037 -0.027 0.000 0.620 334 A CB -0.413 18.561 19.000 -0.044 0.000 0.819 334 A HN 0.467 nan 8.150 nan 0.000 0.442 335 Q N -0.205 119.553 119.800 -0.070 0.000 2.119 335 Q HA -0.051 4.290 4.340 0.001 0.000 0.201 335 Q C 2.155 178.183 176.000 0.048 0.000 0.972 335 Q CA 1.104 56.879 55.803 -0.048 0.000 0.847 335 Q CB -0.481 28.160 28.738 -0.162 0.000 0.903 335 Q HN 0.724 nan 8.270 nan 0.000 0.433 336 L N -0.428 120.817 121.223 0.037 0.000 2.027 336 L HA -0.144 4.197 4.340 0.001 0.000 0.206 336 L C 2.390 179.317 176.870 0.096 0.000 1.074 336 L CA 0.779 55.651 54.840 0.054 0.000 0.745 336 L CB -0.535 41.535 42.059 0.018 0.000 0.898 336 L HN 0.002 nan 8.230 nan 0.000 0.433 337 V N -0.299 119.656 119.914 0.069 0.000 2.490 337 V HA -0.217 3.904 4.120 0.001 0.000 0.250 337 V C 2.306 178.457 176.094 0.095 0.000 1.061 337 V CA 1.915 64.261 62.300 0.077 0.000 1.064 337 V CB -0.429 31.421 31.823 0.046 0.000 0.670 337 V HN 0.623 nan 8.190 nan 0.000 0.461 338 S N -1.687 114.066 115.700 0.088 0.000 2.634 338 S HA 0.070 4.541 4.470 0.001 0.000 0.221 338 S C 0.507 175.173 174.600 0.110 0.000 0.952 338 S CA -0.424 57.820 58.200 0.073 0.000 0.930 338 S CB -0.642 62.580 63.200 0.036 0.000 0.780 338 S HN 0.524 nan 8.310 nan 0.000 0.498 339 Y N 5.202 125.525 120.300 0.037 0.000 2.805 339 Y HA 0.300 4.851 4.550 0.001 0.000 0.331 339 Y C -2.137 173.799 175.900 0.060 0.000 1.241 339 Y CA -2.043 56.090 58.100 0.055 0.000 1.546 339 Y CB 0.269 38.772 38.460 0.072 0.000 1.248 339 Y HN 0.241 nan 8.280 nan 0.000 0.559 340 P HA 0.628 nan 4.420 nan 0.000 0.290 340 P C -0.901 175.985 177.300 -0.690 0.000 1.283 340 P CA -0.462 62.347 63.100 -0.484 0.000 0.869 340 P CB 2.383 33.910 31.700 -0.287 0.000 1.100 341 G N 0.356 108.921 108.800 -0.392 0.000 2.677 341 G HA2 0.254 4.215 3.960 0.001 0.000 0.291 341 G HA3 0.254 4.215 3.960 0.001 0.000 0.291 341 G C 0.156 174.882 174.900 -0.288 0.000 1.435 341 G CA -0.541 44.293 45.100 -0.443 0.000 0.826 341 G HN 0.497 nan 8.290 nan 0.000 0.491 342 K N -0.638 119.570 120.400 -0.320 0.000 2.148 342 K HA 0.031 4.351 4.320 0.001 0.000 0.204 342 K C 0.143 176.690 176.600 -0.088 0.000 1.050 342 K CA 0.764 56.943 56.287 -0.180 0.000 0.942 342 K CB -0.057 32.342 32.500 -0.168 0.000 0.724 342 K HN 0.420 nan 8.250 nan 0.000 0.446 343 N N 0.693 119.374 118.700 -0.033 0.000 2.262 343 N HA 0.150 4.891 4.740 0.001 0.000 0.295 343 N C -1.370 174.172 175.510 0.053 0.000 1.161 343 N CA -0.559 52.497 53.050 0.010 0.000 0.767 343 N CB 1.878 40.378 38.487 0.021 0.000 1.499 343 N HN -0.051 nan 8.380 nan 0.000 0.476 344 K N 1.281 121.708 120.400 0.044 0.000 2.414 344 K HA 0.267 4.588 4.320 0.001 0.000 0.272 344 K C 0.180 176.842 176.600 0.103 0.000 0.993 344 K CA 0.335 56.662 56.287 0.066 0.000 0.964 344 K CB 0.441 32.967 32.500 0.044 0.000 0.925 344 K HN 0.541 nan 8.250 nan 0.000 0.487 345 I N -1.087 119.570 120.570 0.144 0.000 3.095 345 I HA 0.381 4.552 4.170 0.001 0.000 0.310 345 I C -2.547 173.681 176.117 0.185 0.000 1.196 345 I CA -2.777 58.644 61.300 0.201 0.000 0.985 345 I CB 2.493 40.676 38.000 0.305 0.000 1.250 345 I HN 0.341 nan 8.210 nan 0.000 0.446 346 P HA 0.118 nan 4.420 nan 0.000 0.225 346 P C 0.818 178.190 177.300 0.119 0.000 1.813 346 P CA -0.264 62.866 63.100 0.050 0.000 1.013 346 P CB 0.555 32.159 31.700 -0.161 0.000 1.961 347 L N 2.534 123.900 121.223 0.238 0.000 2.034 347 L HA -0.275 4.065 4.340 0.001 0.000 0.217 347 L C 1.912 178.884 176.870 0.169 0.000 1.077 347 L CA 2.086 57.090 54.840 0.272 0.000 0.769 347 L CB -1.111 41.086 42.059 0.230 0.000 0.890 347 L HN 0.104 nan 8.230 nan 0.000 0.435 348 N N -1.454 117.305 118.700 0.098 0.000 2.137 348 N HA -0.250 4.490 4.740 0.001 0.000 0.190 348 N C 1.826 177.283 175.510 -0.087 0.000 1.017 348 N CA 1.901 54.946 53.050 -0.009 0.000 0.859 348 N CB -0.496 37.941 38.487 -0.084 0.000 1.002 348 N HN 0.503 nan 8.380 nan 0.000 0.428 349 Y N 0.671 120.894 120.300 -0.128 0.000 2.220 349 Y HA -0.070 4.481 4.550 0.001 0.000 0.291 349 Y C 2.541 178.454 175.900 0.021 0.000 1.129 349 Y CA 1.089 59.048 58.100 -0.235 0.000 1.161 349 Y CB -0.424 37.643 38.460 -0.654 0.000 0.997 349 Y HN 0.252 nan 8.280 nan 0.000 0.522 350 H N -0.475 118.722 119.070 0.211 0.000 2.353 350 H HA -0.130 4.427 4.556 0.001 0.000 0.300 350 H C 2.391 177.761 175.328 0.070 0.000 1.090 350 H CA 1.776 57.913 56.048 0.148 0.000 1.327 350 H CB -0.478 29.323 29.762 0.066 0.000 1.383 350 H HN 0.352 nan 8.280 nan 0.000 0.508 351 I N -0.045 120.614 120.570 0.148 0.000 2.142 351 I HA -0.230 3.940 4.170 0.001 0.000 0.240 351 I C 2.541 178.649 176.117 -0.015 0.000 1.078 351 I CA 0.843 62.160 61.300 0.028 0.000 1.343 351 I CB -0.258 37.750 38.000 0.014 0.000 1.046 351 I HN -0.003 nan 8.210 nan 0.000 0.405 352 V N 0.694 120.622 119.914 0.022 0.000 2.407 352 V HA -0.307 3.814 4.120 0.001 0.000 0.248 352 V C 2.467 178.586 176.094 0.042 0.000 1.055 352 V CA 2.142 64.421 62.300 -0.035 0.000 1.049 352 V CB -0.597 31.283 31.823 0.096 0.000 0.662 352 V HN 0.479 nan 8.190 nan 0.000 0.455 353 E N -0.141 120.223 120.200 0.274 0.000 2.051 353 E HA -0.193 4.158 4.350 0.001 0.000 0.192 353 E C 2.220 178.919 176.600 0.165 0.000 0.991 353 E CA 1.590 58.182 56.400 0.319 0.000 0.799 353 E CB -0.058 29.898 29.700 0.426 0.000 0.748 353 E HN 0.378 nan 8.360 nan 0.000 0.449 354 V N 1.144 121.071 119.914 0.021 0.000 2.407 354 V HA -0.263 3.858 4.120 0.001 0.000 0.248 354 V C 2.294 178.240 176.094 -0.246 0.000 1.055 354 V CA 1.592 63.784 62.300 -0.179 0.000 1.049 354 V CB -0.337 31.278 31.823 -0.347 0.000 0.662 354 V HN 0.364 nan 8.190 nan 0.000 0.455 355 I N -1.183 119.211 120.570 -0.293 0.000 2.179 355 I HA -0.227 3.944 4.170 0.001 0.000 0.242 355 I C 2.270 177.931 176.117 -0.761 0.000 1.088 355 I CA 1.689 62.716 61.300 -0.456 0.000 1.357 355 I CB -0.385 37.325 38.000 -0.483 0.000 1.051 355 I HN 0.235 nan 8.210 nan 0.000 0.409 356 F N 1.024 120.606 119.950 -0.613 0.000 2.234 356 F HA -0.123 4.405 4.527 0.001 0.000 0.299 356 F C 2.577 177.605 175.800 -1.287 0.000 1.087 356 F CA 1.009 58.412 58.000 -0.995 0.000 1.340 356 F CB -0.993 37.640 39.000 -0.613 0.000 1.031 356 F HN 0.001 nan 8.300 nan 0.000 0.500 357 A N -0.257 122.037 122.820 -0.877 0.000 1.933 357 A HA -0.179 4.142 4.320 0.001 0.000 0.218 357 A C 2.199 179.514 177.584 -0.448 0.000 1.175 357 A CA 1.724 53.298 52.037 -0.771 0.000 0.628 357 A CB -0.564 18.430 19.000 -0.009 0.000 0.814 357 A HN 0.412 nan 8.150 nan 0.000 0.444 358 E N -0.872 119.071 120.200 -0.428 0.000 2.051 358 E HA -0.116 4.235 4.350 0.001 0.000 0.189 358 E C 1.972 178.169 176.600 -0.672 0.000 0.979 358 E CA 1.003 57.150 56.400 -0.423 0.000 0.803 358 E CB -0.282 29.218 29.700 -0.334 0.000 0.761 358 E HN 0.478 nan 8.360 nan 0.000 0.451 359 L N 0.442 121.025 121.223 -1.065 0.000 2.079 359 L HA -0.155 4.185 4.340 0.001 0.000 0.210 359 L C 1.559 178.082 176.870 -0.578 0.000 1.081 359 L CA 1.654 55.924 54.840 -0.951 0.000 0.752 359 L CB -0.195 41.186 42.059 -1.129 0.000 0.896 359 L HN 0.007 nan 8.230 nan 0.000 0.433 360 F N -0.780 118.907 119.950 -0.439 0.000 2.727 360 F HA 0.279 4.806 4.527 0.001 0.000 0.302 360 F C 1.254 176.873 175.800 -0.302 0.000 1.097 360 F CA -0.691 57.082 58.000 -0.379 0.000 1.330 360 F CB -1.080 37.603 39.000 -0.529 0.000 1.084 360 F HN 0.167 nan 8.300 nan 0.000 0.578 361 Q N 1.692 121.404 119.800 -0.146 0.000 2.330 361 Q HA 0.226 4.567 4.340 0.001 0.000 0.279 361 Q C -0.853 175.100 176.000 -0.078 0.000 1.024 361 Q CA 0.254 55.991 55.803 -0.110 0.000 0.900 361 Q CB 0.608 29.261 28.738 -0.142 0.000 1.221 361 Q HN 0.296 nan 8.270 nan 0.000 0.396 362 L N 6.055 127.238 121.223 -0.068 0.000 2.329 362 L HA 0.322 4.663 4.340 0.001 0.000 0.279 362 L C -1.794 175.030 176.870 -0.076 0.000 1.014 362 L CA -2.124 52.679 54.840 -0.062 0.000 0.814 362 L CB 1.598 43.622 42.059 -0.059 0.000 1.257 362 L HN 0.645 nan 8.230 nan 0.000 0.424 363 P HA -0.041 nan 4.420 nan 0.000 0.216 363 P C -0.193 177.094 177.300 -0.020 0.000 1.153 363 P CA 0.760 63.848 63.100 -0.019 0.000 0.848 363 P CB 0.380 32.107 31.700 0.044 0.000 0.787 364 A N -2.218 120.583 122.820 -0.032 0.000 2.566 364 A HA 0.658 4.979 4.320 0.001 0.000 0.292 364 A C -2.949 174.590 177.584 -0.075 0.000 1.112 364 A CA -1.807 50.204 52.037 -0.043 0.000 0.707 364 A CB 0.499 19.482 19.000 -0.028 0.000 1.302 364 A HN -0.209 nan 8.150 nan 0.000 0.409 365 P HA 0.299 nan 4.420 nan 0.000 0.272 365 P C -2.044 175.187 177.300 -0.116 0.000 1.230 365 P CA -0.954 62.099 63.100 -0.079 0.000 0.788 365 P CB 0.293 32.008 31.700 0.026 0.000 0.949 366 P HA -0.065 nan 4.420 nan 0.000 0.223 366 P C -0.081 176.736 177.300 -0.806 0.000 1.151 366 P CA 1.561 64.365 63.100 -0.495 0.000 0.787 366 P CB 0.103 31.455 31.700 -0.579 0.000 0.788 367 H N -2.296 116.742 119.070 -0.053 0.000 2.894 367 H HA 0.280 4.837 4.556 0.001 0.000 0.368 367 H C 0.011 175.288 175.328 -0.085 0.000 1.181 367 H CA -1.487 54.412 56.048 -0.249 0.000 1.146 367 H CB 0.933 30.453 29.762 -0.404 0.000 1.839 367 H HN -0.161 nan 8.280 nan 0.000 0.557 368 I N 1.800 122.374 120.570 0.007 0.000 2.826 368 I HA -0.204 3.967 4.170 0.001 0.000 0.295 368 I C 0.458 176.644 176.117 0.115 0.000 1.213 368 I CA 0.137 61.477 61.300 0.067 0.000 1.436 368 I CB 0.347 38.398 38.000 0.086 0.000 1.348 368 I HN 0.482 nan 8.210 nan 0.000 0.570 369 D N 5.261 125.780 120.400 0.199 0.000 2.133 369 D HA -0.218 4.423 4.640 0.001 0.000 0.192 369 D C 1.939 178.422 176.300 0.306 0.000 1.001 369 D CA 1.368 55.557 54.000 0.315 0.000 0.844 369 D CB -0.198 40.753 40.800 0.252 0.000 0.944 369 D HN 0.491 nan 8.370 nan 0.000 0.447 370 V N 0.847 120.900 119.914 0.231 0.000 2.568 370 V HA -0.231 3.890 4.120 0.001 0.000 0.253 370 V C 2.014 178.209 176.094 0.168 0.000 1.072 370 V CA 1.333 63.785 62.300 0.253 0.000 1.084 370 V CB -0.309 31.653 31.823 0.232 0.000 0.676 370 V HN 0.237 nan 8.190 nan 0.000 0.469 371 M N -0.655 118.966 119.600 0.035 0.000 2.159 371 M HA -0.199 4.282 4.480 0.001 0.000 0.263 371 M C 2.088 178.310 176.300 -0.129 0.000 1.063 371 M CA 2.176 57.424 55.300 -0.087 0.000 1.110 371 M CB -0.861 31.614 32.600 -0.208 0.000 1.374 371 M HN 0.543 nan 8.290 nan 0.000 0.411 372 Y N 0.487 120.832 120.300 0.075 0.000 2.293 372 Y HA -0.124 4.427 4.550 0.001 0.000 0.291 372 Y C 2.543 178.469 175.900 0.043 0.000 1.137 372 Y CA 1.933 60.024 58.100 -0.015 0.000 1.202 372 Y CB -1.425 36.957 38.460 -0.131 0.000 0.990 372 Y HN 0.283 nan 8.280 nan 0.000 0.537 373 T N -1.062 113.685 114.554 0.322 0.000 2.737 373 T HA -0.157 4.194 4.350 0.001 0.000 0.265 373 T C 1.903 176.742 174.700 0.231 0.000 1.038 373 T CA 2.054 64.399 62.100 0.408 0.000 1.144 373 T CB -0.579 68.483 68.868 0.323 0.000 0.866 373 T HN 0.352 nan 8.240 nan 0.000 0.434 374 T N 2.405 117.031 114.554 0.120 0.000 2.867 374 T HA 0.020 4.371 4.350 0.001 0.000 0.268 374 T C 1.879 176.626 174.700 0.079 0.000 1.057 374 T CA 0.558 62.700 62.100 0.070 0.000 1.136 374 T CB -0.390 68.502 68.868 0.040 0.000 0.874 374 T HN 0.095 nan 8.240 nan 0.000 0.466 375 L N 0.996 122.259 121.223 0.066 0.000 2.046 375 L HA 0.099 4.439 4.340 0.001 0.000 0.208 375 L C 2.061 178.972 176.870 0.069 0.000 1.077 375 L CA 1.545 56.412 54.840 0.045 0.000 0.747 375 L CB -0.711 41.358 42.059 0.017 0.000 0.896 375 L HN 0.229 nan 8.230 nan 0.000 0.432 376 L N -1.181 120.104 121.223 0.103 0.000 2.141 376 L HA -0.190 4.151 4.340 0.001 0.000 0.209 376 L C 2.460 179.454 176.870 0.207 0.000 1.094 376 L CA 1.086 55.995 54.840 0.115 0.000 0.763 376 L CB -0.351 41.785 42.059 0.128 0.000 0.908 376 L HN 0.278 nan 8.230 nan 0.000 0.437 377 I N -0.582 120.144 120.570 0.259 0.000 2.252 377 I HA -0.236 3.934 4.170 0.001 0.000 0.245 377 I C 2.508 178.737 176.117 0.187 0.000 1.102 377 I CA 1.017 62.497 61.300 0.299 0.000 1.385 377 I CB -0.242 37.886 38.000 0.213 0.000 1.064 377 I HN 0.247 nan 8.210 nan 0.000 0.414 378 E N 0.688 120.957 120.200 0.114 0.000 2.153 378 E HA -0.171 4.179 4.350 0.001 0.000 0.194 378 E C 2.315 178.956 176.600 0.068 0.000 0.988 378 E CA 1.130 57.573 56.400 0.072 0.000 0.811 378 E CB -0.207 29.517 29.700 0.040 0.000 0.746 378 E HN 0.513 nan 8.360 nan 0.000 0.466 379 L N -0.143 121.123 121.223 0.072 0.000 2.109 379 L HA -0.145 4.196 4.340 0.001 0.000 0.207 379 L C 2.642 179.551 176.870 0.065 0.000 1.086 379 L CA 0.651 55.523 54.840 0.053 0.000 0.760 379 L CB -0.301 41.778 42.059 0.034 0.000 0.910 379 L HN 0.149 nan 8.230 nan 0.000 0.437 380 C N 0.010 119.371 119.300 0.100 0.000 2.425 380 C HA -0.155 4.306 4.460 0.001 0.000 0.277 380 C C 2.760 177.804 174.990 0.091 0.000 1.280 380 C CA 0.798 59.875 59.018 0.098 0.000 1.744 380 C CB -0.676 27.151 27.740 0.144 0.000 1.989 380 C HN 0.419 nan 8.230 nan 0.000 0.491 381 K N -0.083 120.379 120.400 0.104 0.000 2.148 381 K HA -0.088 4.233 4.320 0.001 0.000 0.204 381 K C 1.705 178.337 176.600 0.053 0.000 1.050 381 K CA 0.893 57.229 56.287 0.082 0.000 0.942 381 K CB -0.179 32.366 32.500 0.075 0.000 0.724 381 K HN 0.285 nan 8.250 nan 0.000 0.446 382 L N 0.544 121.795 121.223 0.047 0.000 2.307 382 L HA -0.010 4.330 4.340 0.001 0.000 0.211 382 L C 0.430 177.319 176.870 0.031 0.000 1.099 382 L CA 1.482 56.342 54.840 0.034 0.000 0.816 382 L CB 0.358 42.434 42.059 0.029 0.000 0.952 382 L HN 0.038 nan 8.230 nan 0.000 0.455 383 Q N -0.963 118.857 119.800 0.033 0.000 2.719 383 Q HA 0.250 4.591 4.340 0.001 0.000 0.376 383 Q C -1.855 174.161 176.000 0.026 0.000 0.856 383 Q CA -1.395 54.424 55.803 0.027 0.000 1.038 383 Q CB 0.857 29.610 28.738 0.023 0.000 1.418 383 Q HN 0.204 nan 8.270 nan 0.000 0.395 384 P HA -0.155 nan 4.420 nan 0.000 0.217 384 P C 1.231 178.542 177.300 0.019 0.000 1.148 384 P CA 1.406 64.523 63.100 0.029 0.000 0.828 384 P CB 0.244 31.964 31.700 0.033 0.000 0.783 385 G N -1.672 107.138 108.800 0.017 0.000 2.985 385 G HA2 0.016 3.977 3.960 0.001 0.000 0.209 385 G HA3 0.016 3.977 3.960 0.001 0.000 0.209 385 G C 1.055 175.962 174.900 0.012 0.000 1.165 385 G CA 0.762 45.870 45.100 0.013 0.000 0.776 385 G HN 0.424 nan 8.290 nan 0.000 0.541 386 S N -1.347 114.359 115.700 0.009 0.000 2.917 386 S HA 0.191 4.661 4.470 0.001 0.000 0.269 386 S C 1.709 176.297 174.600 -0.021 0.000 1.072 386 S CA -0.104 58.097 58.200 0.002 0.000 0.967 386 S CB -0.197 63.010 63.200 0.012 0.000 0.906 386 S HN 0.032 nan 8.310 nan 0.000 0.463 387 L N 3.180 124.394 121.223 -0.016 0.000 2.017 387 L HA 0.156 4.497 4.340 0.001 0.000 0.208 387 L C -1.141 175.722 176.870 -0.011 0.000 1.073 387 L CA 2.122 56.946 54.840 -0.027 0.000 0.745 387 L CB -2.063 39.997 42.059 0.001 0.000 0.894 387 L HN 0.157 nan 8.230 nan 0.000 0.432 388 P HA -0.194 nan 4.420 nan 0.000 0.216 388 P C 1.399 178.723 177.300 0.039 0.000 1.150 388 P CA 1.509 64.618 63.100 0.015 0.000 0.843 388 P CB 0.125 31.813 31.700 -0.019 0.000 0.787 389 Q N -1.194 118.615 119.800 0.015 0.000 2.083 389 Q HA -0.060 4.281 4.340 0.001 0.000 0.198 389 Q C 2.117 178.129 176.000 0.019 0.000 0.969 389 Q CA 1.051 56.869 55.803 0.024 0.000 0.838 389 Q CB -1.184 27.562 28.738 0.013 0.000 0.900 389 Q HN 0.080 nan 8.270 nan 0.000 0.436 390 V N 0.546 120.414 119.914 -0.075 0.000 2.407 390 V HA -0.199 3.922 4.120 0.001 0.000 0.248 390 V C 1.953 178.047 176.094 -0.000 0.000 1.055 390 V CA 1.299 63.460 62.300 -0.232 0.000 1.049 390 V CB -0.407 31.070 31.823 -0.576 0.000 0.662 390 V HN 0.300 nan 8.190 nan 0.000 0.455 391 L N 0.733 122.005 121.223 0.082 0.000 2.072 391 L HA 0.058 4.399 4.340 0.001 0.000 0.205 391 L C 2.438 179.513 176.870 0.341 0.000 1.079 391 L CA 2.178 57.152 54.840 0.223 0.000 0.752 391 L CB -0.912 41.263 42.059 0.193 0.000 0.906 391 L HN 0.202 nan 8.230 nan 0.000 0.436 392 A N -1.073 121.932 122.820 0.308 0.000 1.933 392 A HA -0.271 4.049 4.320 0.001 0.000 0.218 392 A C 2.313 180.137 177.584 0.401 0.000 1.175 392 A CA 1.798 54.091 52.037 0.428 0.000 0.628 392 A CB -0.662 18.499 19.000 0.269 0.000 0.814 392 A HN 0.640 nan 8.150 nan 0.000 0.444 393 Q N -0.575 119.393 119.800 0.280 0.000 2.050 393 Q HA -0.130 4.210 4.340 0.001 0.000 0.202 393 Q C 2.229 178.428 176.000 0.331 0.000 0.980 393 Q CA 1.569 57.537 55.803 0.275 0.000 0.840 393 Q CB -0.332 28.545 28.738 0.231 0.000 0.898 393 Q HN 0.601 nan 8.270 nan 0.000 0.424 394 A N -0.086 122.947 122.820 0.356 0.000 1.933 394 A HA -0.160 4.161 4.320 0.001 0.000 0.218 394 A C 2.189 179.868 177.584 0.159 0.000 1.175 394 A CA 1.892 54.097 52.037 0.280 0.000 0.628 394 A CB -0.895 18.320 19.000 0.359 0.000 0.814 394 A HN 0.476 nan 8.150 nan 0.000 0.444 395 T N -0.484 114.263 114.554 0.323 0.000 2.833 395 T HA -0.111 4.239 4.350 0.001 0.000 0.269 395 T C 1.890 176.879 174.700 0.482 0.000 1.054 395 T CA 1.678 64.014 62.100 0.394 0.000 1.135 395 T CB -0.153 69.042 68.868 0.544 0.000 0.869 395 T HN 0.665 nan 8.240 nan 0.000 0.466 396 E N 1.316 121.829 120.200 0.522 0.000 2.047 396 E HA -0.023 4.327 4.350 0.001 0.000 0.191 396 E C 2.090 178.899 176.600 0.347 0.000 0.987 396 E CA 1.278 58.015 56.400 0.561 0.000 0.799 396 E CB -0.375 29.586 29.700 0.435 0.000 0.752 396 E HN 0.463 nan 8.360 nan 0.000 0.449 397 M N -0.163 119.564 119.600 0.213 0.000 2.086 397 M HA -0.130 4.350 4.480 0.001 0.000 0.261 397 M C 2.276 178.555 176.300 -0.035 0.000 1.067 397 M CA 1.394 56.735 55.300 0.070 0.000 1.116 397 M CB -0.348 32.274 32.600 0.036 0.000 1.348 397 M HN 0.141 nan 8.290 nan 0.000 0.407 398 L N -1.412 119.759 121.223 -0.087 0.000 2.042 398 L HA -0.254 4.086 4.340 0.001 0.000 0.210 398 L C 2.595 179.415 176.870 -0.084 0.000 1.076 398 L CA 1.546 56.253 54.840 -0.222 0.000 0.749 398 L CB -0.933 40.657 42.059 -0.782 0.000 0.893 398 L HN 0.285 nan 8.230 nan 0.000 0.432 399 Y N 0.259 120.493 120.300 -0.110 0.000 2.097 399 Y HA -0.281 4.269 4.550 0.001 0.000 0.282 399 Y C 2.620 178.357 175.900 -0.272 0.000 1.152 399 Y CA 1.620 59.510 58.100 -0.351 0.000 1.136 399 Y CB -0.042 37.981 38.460 -0.727 0.000 0.975 399 Y HN 0.036 nan 8.280 nan 0.000 0.498 400 M N 0.268 119.855 119.600 -0.022 0.000 2.549 400 M HA -0.103 4.377 4.480 0.001 0.000 0.260 400 M C 1.164 177.357 176.300 -0.178 0.000 1.076 400 M CA 1.507 56.766 55.300 -0.069 0.000 1.090 400 M CB -0.755 31.883 32.600 0.063 0.000 1.418 400 M HN 0.338 nan 8.290 nan 0.000 0.486 401 R N -0.904 119.471 120.500 -0.209 0.000 2.472 401 R HA 0.270 4.611 4.340 0.001 0.000 0.279 401 R C 1.682 177.933 176.300 -0.081 0.000 0.953 401 R CA -0.205 55.742 56.100 -0.255 0.000 1.088 401 R CB 0.224 30.197 30.300 -0.544 0.000 1.197 401 R HN 0.264 nan 8.270 nan 0.000 0.536 402 L N 0.931 122.063 121.223 -0.152 0.000 2.261 402 L HA -0.213 4.128 4.340 0.001 0.000 0.216 402 L C 1.272 178.092 176.870 -0.084 0.000 1.114 402 L CA 1.133 55.889 54.840 -0.140 0.000 0.777 402 L CB -0.206 41.624 42.059 -0.381 0.000 0.910 402 L HN 0.204 nan 8.230 nan 0.000 0.440 403 D N -0.571 119.774 120.400 -0.091 0.000 2.123 403 D HA -0.172 4.468 4.640 0.001 0.000 0.196 403 D C 1.916 178.215 176.300 -0.002 0.000 0.992 403 D CA 2.071 56.040 54.000 -0.052 0.000 0.833 403 D CB -0.064 40.702 40.800 -0.057 0.000 0.954 403 D HN 0.393 nan 8.370 nan 0.000 0.455 404 T N -2.464 112.125 114.554 0.059 0.000 3.134 404 T HA 0.228 4.579 4.350 0.001 0.000 0.260 404 T C 0.661 175.441 174.700 0.133 0.000 1.027 404 T CA -0.444 61.711 62.100 0.091 0.000 0.913 404 T CB -0.055 68.871 68.868 0.097 0.000 1.046 404 T HN -0.076 nan 8.240 nan 0.000 0.553 405 M N 2.956 122.616 119.600 0.099 0.000 2.200 405 M HA 0.235 4.715 4.480 0.001 0.000 0.355 405 M C 0.237 176.400 176.300 -0.229 0.000 1.283 405 M CA -0.367 54.811 55.300 -0.204 0.000 1.124 405 M CB 0.558 32.994 32.600 -0.273 0.000 1.625 405 M HN 0.154 nan 8.290 nan 0.000 0.463 406 N N 2.934 121.450 118.700 -0.307 0.000 2.458 406 N HA -0.032 4.709 4.740 0.001 0.000 0.258 406 N C 0.314 175.699 175.510 -0.207 0.000 1.219 406 N CA 0.349 53.263 53.050 -0.227 0.000 0.902 406 N CB 1.041 39.396 38.487 -0.221 0.000 1.076 406 N HN 0.753 nan 8.380 nan 0.000 0.455 407 T N 2.531 116.980 114.554 -0.176 0.000 2.721 407 T HA -0.155 4.196 4.350 0.001 0.000 0.268 407 T C 1.602 176.228 174.700 -0.122 0.000 1.038 407 T CA 1.909 63.915 62.100 -0.157 0.000 1.145 407 T CB -0.157 68.578 68.868 -0.222 0.000 0.858 407 T HN 0.611 nan 8.240 nan 0.000 0.459 408 T N 1.072 115.547 114.554 -0.132 0.000 2.708 408 T HA -0.122 4.229 4.350 0.001 0.000 0.266 408 T C 2.322 177.004 174.700 -0.031 0.000 1.037 408 T CA 1.377 63.427 62.100 -0.085 0.000 1.146 408 T CB -0.633 68.180 68.868 -0.092 0.000 0.865 408 T HN 0.500 nan 8.240 nan 0.000 0.435 409 C N 1.099 120.341 119.300 -0.097 0.000 2.440 409 C HA 0.019 4.480 4.460 0.001 0.000 0.278 409 C C 2.833 177.801 174.990 -0.038 0.000 1.295 409 C CA -0.045 58.908 59.018 -0.109 0.000 1.738 409 C CB -1.250 26.201 27.740 -0.481 0.000 1.987 409 C HN 0.353 nan 8.230 nan 0.000 0.492 410 V N 1.551 121.432 119.914 -0.055 0.000 2.343 410 V HA -0.222 3.898 4.120 0.001 0.000 0.247 410 V C 2.047 178.295 176.094 0.258 0.000 1.051 410 V CA 2.355 64.719 62.300 0.106 0.000 1.036 410 V CB -0.785 31.061 31.823 0.038 0.000 0.654 410 V HN 0.437 nan 8.190 nan 0.000 0.451 411 D N -0.087 120.420 120.400 0.180 0.000 2.123 411 D HA -0.147 4.494 4.640 0.001 0.000 0.196 411 D C 2.443 178.929 176.300 0.309 0.000 0.992 411 D CA 1.248 55.375 54.000 0.212 0.000 0.833 411 D CB -0.232 40.650 40.800 0.136 0.000 0.954 411 D HN 0.385 nan 8.370 nan 0.000 0.455 412 R N -0.638 120.071 120.500 0.348 0.000 2.092 412 R HA -0.062 4.279 4.340 0.001 0.000 0.231 412 R C 2.095 178.803 176.300 0.681 0.000 1.119 412 R CA 0.486 56.847 56.100 0.435 0.000 0.970 412 R CB -0.317 30.206 30.300 0.371 0.000 0.864 412 R HN 0.176 nan 8.270 nan 0.000 0.440 413 F N 1.988 122.297 119.950 0.599 0.000 2.075 413 F HA -0.115 4.413 4.527 0.001 0.000 0.297 413 F C 1.932 178.191 175.800 0.765 0.000 1.113 413 F CA 1.075 59.510 58.000 0.725 0.000 1.218 413 F CB -0.705 38.538 39.000 0.405 0.000 0.984 413 F HN -0.148 nan 8.300 nan 0.000 0.472 414 I N 0.617 121.564 120.570 0.629 0.000 2.151 414 I HA -0.404 3.767 4.170 0.001 0.000 0.243 414 I C 2.221 178.559 176.117 0.369 0.000 1.080 414 I CA 1.638 63.173 61.300 0.391 0.000 1.339 414 I CB -0.626 37.532 38.000 0.263 0.000 1.039 414 I HN 0.189 nan 8.210 nan 0.000 0.409 415 N N -0.300 118.641 118.700 0.401 0.000 2.244 415 N HA -0.209 4.532 4.740 0.001 0.000 0.183 415 N C 1.476 177.244 175.510 0.430 0.000 1.016 415 N CA 1.241 54.499 53.050 0.348 0.000 0.866 415 N CB -0.289 38.385 38.487 0.312 0.000 0.980 415 N HN 0.512 nan 8.380 nan 0.000 0.430 416 W N 1.318 122.882 121.300 0.440 0.000 2.413 416 W HA -0.065 4.596 4.660 0.001 0.000 0.315 416 W C 2.109 178.937 176.519 0.515 0.000 1.186 416 W CA 0.628 58.251 57.345 0.462 0.000 1.326 416 W CB -1.038 28.708 29.460 0.477 0.000 1.153 416 W HN -0.079 nan 8.180 nan 0.000 0.489 417 F N 2.485 122.364 119.950 -0.119 0.000 2.065 417 F HA -0.303 4.225 4.527 0.001 0.000 0.298 417 F C 2.874 178.513 175.800 -0.269 0.000 1.112 417 F CA 3.034 60.711 58.000 -0.538 0.000 1.212 417 F CB -1.194 37.805 39.000 -0.001 0.000 0.975 417 F HN 0.061 nan 8.300 nan 0.000 0.476 418 S N -1.319 114.317 115.700 -0.106 0.000 2.368 418 S HA -0.317 4.154 4.470 0.001 0.000 0.225 418 S C 2.200 176.782 174.600 -0.030 0.000 1.030 418 S CA 1.602 59.747 58.200 -0.091 0.000 0.999 418 S CB -1.453 61.789 63.200 0.070 0.000 0.844 418 S HN 0.738 nan 8.310 nan 0.000 0.459 419 H N 0.258 119.278 119.070 -0.083 0.000 2.353 419 H HA -0.184 4.373 4.556 0.001 0.000 0.300 419 H C 2.404 177.635 175.328 -0.161 0.000 1.090 419 H CA 1.716 57.726 56.048 -0.064 0.000 1.327 419 H CB -0.240 29.550 29.762 0.047 0.000 1.383 419 H HN 0.662 nan 8.280 nan 0.000 0.508 420 H N 0.519 119.389 119.070 -0.333 0.000 2.290 420 H HA -0.131 4.426 4.556 0.001 0.000 0.298 420 H C 2.434 177.616 175.328 -0.243 0.000 1.087 420 H CA 1.936 57.775 56.048 -0.349 0.000 1.291 420 H CB -0.398 28.950 29.762 -0.690 0.000 1.369 420 H HN 0.293 nan 8.280 nan 0.000 0.492 421 L N 0.092 121.037 121.223 -0.463 0.000 2.079 421 L HA -0.200 4.140 4.340 0.001 0.000 0.210 421 L C 2.650 179.090 176.870 -0.717 0.000 1.081 421 L CA 1.584 56.136 54.840 -0.481 0.000 0.752 421 L CB -0.635 41.173 42.059 -0.418 0.000 0.896 421 L HN 0.493 nan 8.230 nan 0.000 0.433 422 S N -1.320 113.904 115.700 -0.794 0.000 2.507 422 S HA -0.109 4.362 4.470 0.001 0.000 0.235 422 S C 1.477 175.659 174.600 -0.697 0.000 0.988 422 S CA 0.758 58.275 58.200 -1.139 0.000 0.944 422 S CB -0.339 62.592 63.200 -0.449 0.000 0.762 422 S HN 0.466 nan 8.310 nan 0.000 0.526 423 N N -0.140 118.204 118.700 -0.594 0.000 2.280 423 N HA 0.213 4.954 4.740 0.001 0.000 0.192 423 N C -0.912 173.970 175.510 -1.048 0.000 1.109 423 N CA 0.330 52.950 53.050 -0.716 0.000 0.855 423 N CB 0.285 38.328 38.487 -0.741 0.000 0.974 423 N HN 0.438 nan 8.380 nan 0.000 0.482 424 F N 0.681 120.380 119.950 -0.419 0.000 2.619 424 F HA 0.225 4.753 4.527 0.001 0.000 0.382 424 F C 0.027 175.686 175.800 -0.234 0.000 1.466 424 F CA -0.526 57.299 58.000 -0.292 0.000 1.137 424 F CB 0.473 39.294 39.000 -0.299 0.000 1.205 424 F HN -0.253 nan 8.300 nan 0.000 0.525 425 Q N -1.323 118.378 119.800 -0.165 0.000 2.461 425 Q HA -0.277 4.063 4.340 0.001 0.000 0.264 425 Q C 0.269 176.324 176.000 0.092 0.000 1.085 425 Q CA 1.021 56.797 55.803 -0.044 0.000 1.006 425 Q CB -2.720 26.043 28.738 0.041 0.000 1.437 425 Q HN 0.571 nan 8.270 nan 0.000 0.514 426 F N -2.397 117.558 119.950 0.009 0.000 3.100 426 F HA -0.343 4.185 4.527 0.002 0.000 0.284 426 F C 0.720 176.581 175.800 0.103 0.000 0.875 426 F CA 1.325 59.343 58.000 0.030 0.000 1.039 426 F CB -1.276 37.739 39.000 0.025 0.000 1.111 426 F HN 0.196 nan 8.300 nan 0.000 0.575 427 R N 0.653 121.267 120.500 0.189 0.000 2.347 427 R HA 0.336 4.677 4.340 0.001 0.000 0.304 427 R C -0.153 176.249 176.300 0.170 0.000 1.072 427 R CA 0.242 56.434 56.100 0.155 0.000 0.980 427 R CB 0.882 31.235 30.300 0.088 0.000 0.986 427 R HN 0.434 nan 8.270 nan 0.000 0.448 428 W N 1.455 122.619 121.300 -0.228 0.000 3.464 428 W HA 0.028 4.689 4.660 0.001 0.000 0.292 428 W C -0.899 175.229 176.519 -0.652 0.000 1.262 428 W CA -0.657 56.356 57.345 -0.554 0.000 1.202 428 W CB 1.806 30.678 29.460 -0.980 0.000 1.334 428 W HN 0.578 nan 8.180 nan 0.000 0.561 429 S N 2.084 116.894 115.700 -1.484 0.000 4.087 429 S HA 0.067 4.538 4.470 0.001 0.000 0.213 429 S C 0.569 174.586 174.600 -0.972 0.000 1.415 429 S CA -0.535 57.070 58.200 -0.991 0.000 0.893 429 S CB -0.642 62.036 63.200 -0.870 0.000 1.529 429 S HN 0.474 nan 8.310 nan 0.000 0.457 430 W N 2.289 123.280 121.300 -0.515 0.000 2.331 430 W HA -0.188 4.473 4.660 0.002 0.000 0.291 430 W C 2.386 178.669 176.519 -0.394 0.000 1.214 430 W CA 1.035 58.081 57.345 -0.499 0.000 1.228 430 W CB -0.236 28.774 29.460 -0.749 0.000 1.135 430 W HN 0.629 nan 8.180 nan 0.000 0.537 431 E N 0.339 120.490 120.200 -0.081 0.000 2.267 431 E HA -0.222 4.129 4.350 0.001 0.000 0.197 431 E C 0.760 177.428 176.600 0.113 0.000 0.998 431 E CA 1.678 58.141 56.400 0.105 0.000 0.830 431 E CB -0.823 28.912 29.700 0.058 0.000 0.751 431 E HN 0.314 nan 8.360 nan 0.000 0.491 432 D N -0.533 119.817 120.400 -0.082 0.000 2.348 432 D HA -0.095 4.546 4.640 0.001 0.000 0.216 432 D C 0.108 176.589 176.300 0.303 0.000 0.970 432 D CA 0.675 54.663 54.000 -0.020 0.000 0.889 432 D CB -0.063 40.578 40.800 -0.265 0.000 0.912 432 D HN 0.307 nan 8.370 nan 0.000 0.524 433 W N 0.201 121.594 121.300 0.154 0.000 2.693 433 W HA 0.367 5.028 4.660 0.001 0.000 0.415 433 W C 1.186 178.002 176.519 0.496 0.000 0.932 433 W CA -0.862 56.602 57.345 0.199 0.000 2.200 433 W CB -0.691 28.763 29.460 -0.009 0.000 1.188 433 W HN -0.173 nan 8.180 nan 0.000 0.665 434 S N 0.777 116.855 115.700 0.630 0.000 2.447 434 S HA -0.181 4.290 4.470 0.001 0.000 0.233 434 S C 1.714 176.479 174.600 0.276 0.000 1.006 434 S CA 1.735 60.208 58.200 0.455 0.000 0.957 434 S CB -0.114 63.297 63.200 0.351 0.000 0.773 434 S HN 0.414 nan 8.310 nan 0.000 0.507 435 D N 1.473 122.062 120.400 0.315 0.000 2.357 435 D HA -0.148 4.493 4.640 0.001 0.000 0.216 435 D C 1.986 178.412 176.300 0.211 0.000 0.973 435 D CA 1.226 55.369 54.000 0.238 0.000 0.912 435 D CB -1.018 39.935 40.800 0.256 0.000 0.900 435 D HN 0.625 nan 8.370 nan 0.000 0.501 436 C N -0.767 118.695 119.300 0.269 0.000 2.533 436 C HA 0.283 4.744 4.460 0.001 0.000 0.272 436 C C 2.773 177.815 174.990 0.086 0.000 1.371 436 C CA -0.442 58.703 59.018 0.212 0.000 1.758 436 C CB -1.426 26.527 27.740 0.354 0.000 1.972 436 C HN 0.249 nan 8.230 nan 0.000 0.522 437 L N 2.734 123.959 121.223 0.004 0.000 2.131 437 L HA -0.055 4.285 4.340 0.001 0.000 0.210 437 L C 2.712 179.574 176.870 -0.013 0.000 1.092 437 L CA 1.921 56.712 54.840 -0.083 0.000 0.759 437 L CB -0.578 41.373 42.059 -0.180 0.000 0.903 437 L HN 0.622 nan 8.230 nan 0.000 0.435 438 S N -1.967 113.748 115.700 0.026 0.000 2.634 438 S HA 0.149 4.620 4.470 0.001 0.000 0.221 438 S C 0.574 175.199 174.600 0.042 0.000 0.952 438 S CA -0.504 57.716 58.200 0.034 0.000 0.930 438 S CB 0.047 63.273 63.200 0.044 0.000 0.780 438 S HN 0.383 nan 8.310 nan 0.000 0.498 439 Q N 0.934 120.762 119.800 0.047 0.000 2.252 439 Q HA 0.335 4.676 4.340 0.001 0.000 0.256 439 Q C -0.994 175.035 176.000 0.049 0.000 1.020 439 Q CA -1.024 54.809 55.803 0.050 0.000 0.913 439 Q CB 0.587 29.359 28.738 0.057 0.000 1.286 439 Q HN 0.264 nan 8.270 nan 0.000 0.480 440 D N 0.949 121.380 120.400 0.052 0.000 2.450 440 D HA 0.006 4.647 4.640 0.001 0.000 0.247 440 D C -1.798 174.542 176.300 0.065 0.000 1.162 440 D CA -1.333 52.702 54.000 0.058 0.000 0.879 440 D CB 1.131 41.969 40.800 0.063 0.000 1.163 440 D HN 0.159 nan 8.370 nan 0.000 0.472 441 P HA -0.119 nan 4.420 nan 0.000 0.222 441 P C 0.409 177.763 177.300 0.090 0.000 1.142 441 P CA 1.135 64.280 63.100 0.075 0.000 0.788 441 P CB 0.240 31.982 31.700 0.071 0.000 0.767 442 E N -1.377 118.880 120.200 0.095 0.000 2.400 442 E HA 0.049 4.399 4.350 0.001 0.000 0.195 442 E C 0.798 177.453 176.600 0.091 0.000 1.012 442 E CA -0.071 56.394 56.400 0.108 0.000 0.875 442 E CB -0.072 29.706 29.700 0.130 0.000 0.859 442 E HN 0.080 nan 8.360 nan 0.000 0.498 443 S N 1.301 117.047 115.700 0.077 0.000 2.566 443 S HA -0.001 4.470 4.470 0.001 0.000 0.280 443 S C -1.642 172.986 174.600 0.047 0.000 1.343 443 S CA -1.333 56.899 58.200 0.055 0.000 1.036 443 S CB 0.722 63.949 63.200 0.045 0.000 0.866 443 S HN -0.149 nan 8.310 nan 0.000 0.526 444 P HA -0.167 nan 4.420 nan 0.000 0.214 444 P C 1.117 178.419 177.300 0.004 0.000 1.169 444 P CA 1.721 64.819 63.100 -0.004 0.000 0.908 444 P CB 0.085 31.748 31.700 -0.061 0.000 0.791 445 K N -0.782 119.567 120.400 -0.084 0.000 1.991 445 K HA -0.125 4.195 4.320 0.001 0.000 0.212 445 K C -0.351 176.362 176.600 0.188 0.000 1.049 445 K CA 2.351 58.572 56.287 -0.110 0.000 0.932 445 K CB -2.058 30.277 32.500 -0.274 0.000 0.717 445 K HN 0.325 nan 8.250 nan 0.000 0.441 446 P HA -0.199 nan 4.420 nan 0.000 0.217 446 P C 1.115 178.527 177.300 0.185 0.000 1.150 446 P CA 1.430 64.647 63.100 0.195 0.000 0.832 446 P CB 0.061 31.834 31.700 0.123 0.000 0.787 447 K N -0.731 119.764 120.400 0.158 0.000 2.057 447 K HA -0.167 4.154 4.320 0.001 0.000 0.207 447 K C 2.146 178.852 176.600 0.178 0.000 1.049 447 K CA 1.051 57.427 56.287 0.149 0.000 0.931 447 K CB -0.643 31.933 32.500 0.127 0.000 0.714 447 K HN -0.087 nan 8.250 nan 0.000 0.440 448 F N 1.434 121.420 119.950 0.060 0.000 2.069 448 F HA -0.230 4.298 4.527 0.001 0.000 0.298 448 F C 1.770 177.663 175.800 0.157 0.000 1.113 448 F CA 1.539 59.566 58.000 0.045 0.000 1.214 448 F CB -0.624 38.336 39.000 -0.067 0.000 0.978 448 F HN -0.188 nan 8.300 nan 0.000 0.474 449 V N 1.388 121.373 119.914 0.119 0.000 2.287 449 V HA -0.331 3.790 4.120 0.001 0.000 0.248 449 V C 2.632 178.764 176.094 0.063 0.000 1.053 449 V CA 2.377 64.785 62.300 0.180 0.000 1.027 449 V CB -0.788 31.350 31.823 0.526 0.000 0.646 449 V HN 0.324 nan 8.190 nan 0.000 0.447 450 R N -0.362 120.189 120.500 0.085 0.000 2.081 450 R HA -0.142 4.199 4.340 0.001 0.000 0.235 450 R C 2.342 178.655 176.300 0.023 0.000 1.131 450 R CA 1.375 57.507 56.100 0.053 0.000 0.960 450 R CB -0.302 30.045 30.300 0.078 0.000 0.856 450 R HN 0.569 nan 8.270 nan 0.000 0.436 451 E N 0.322 120.530 120.200 0.014 0.000 2.072 451 E HA -0.111 4.239 4.350 0.001 0.000 0.191 451 E C 2.211 178.800 176.600 -0.018 0.000 0.985 451 E CA 0.865 57.281 56.400 0.026 0.000 0.801 451 E CB -0.193 29.544 29.700 0.062 0.000 0.750 451 E HN 0.111 nan 8.360 nan 0.000 0.452 452 V N 1.962 121.802 119.914 -0.123 0.000 2.255 452 V HA -0.255 3.866 4.120 0.001 0.000 0.247 452 V C 2.586 178.680 176.094 -0.001 0.000 1.051 452 V CA 1.490 63.747 62.300 -0.072 0.000 1.018 452 V CB -0.601 31.162 31.823 -0.100 0.000 0.641 452 V HN 0.205 nan 8.190 nan 0.000 0.445 453 L N -0.255 120.945 121.223 -0.037 0.000 2.079 453 L HA -0.238 4.103 4.340 0.001 0.000 0.210 453 L C 2.593 179.421 176.870 -0.070 0.000 1.081 453 L CA 2.055 56.836 54.840 -0.098 0.000 0.752 453 L CB -0.609 41.361 42.059 -0.149 0.000 0.896 453 L HN 0.457 nan 8.230 nan 0.000 0.433 454 E N 0.174 120.356 120.200 -0.030 0.000 2.077 454 E HA -0.213 4.138 4.350 0.001 0.000 0.193 454 E C 2.143 178.747 176.600 0.006 0.000 0.989 454 E CA 0.926 57.318 56.400 -0.013 0.000 0.800 454 E CB 0.252 29.966 29.700 0.023 0.000 0.746 454 E HN 0.238 nan 8.360 nan 0.000 0.452 455 K N 0.209 120.628 120.400 0.031 0.000 2.097 455 K HA -0.085 4.236 4.320 0.001 0.000 0.205 455 K C 2.206 178.843 176.600 0.060 0.000 1.050 455 K CA 0.857 57.179 56.287 0.060 0.000 0.938 455 K CB -0.585 31.965 32.500 0.084 0.000 0.718 455 K HN 0.302 nan 8.250 nan 0.000 0.442 456 C N 1.010 120.335 119.300 0.041 0.000 2.425 456 C HA -0.026 4.435 4.460 0.001 0.000 0.277 456 C C 2.772 177.699 174.990 -0.105 0.000 1.280 456 C CA 0.461 59.509 59.018 0.050 0.000 1.744 456 C CB -0.660 27.044 27.740 -0.060 0.000 1.989 456 C HN 0.503 nan 8.230 nan 0.000 0.491 457 M N 0.471 119.994 119.600 -0.128 0.000 2.159 457 M HA -0.154 4.327 4.480 0.001 0.000 0.263 457 M C 2.462 178.736 176.300 -0.043 0.000 1.063 457 M CA 1.616 56.838 55.300 -0.130 0.000 1.110 457 M CB -0.359 32.183 32.600 -0.096 0.000 1.374 457 M HN 0.330 nan 8.290 nan 0.000 0.411 458 R N 0.050 120.552 120.500 0.003 0.000 2.193 458 R HA -0.071 4.270 4.340 0.001 0.000 0.229 458 R C 1.680 178.010 176.300 0.050 0.000 1.110 458 R CA 0.994 57.117 56.100 0.037 0.000 0.988 458 R CB -0.293 30.044 30.300 0.062 0.000 0.871 458 R HN 0.445 nan 8.270 nan 0.000 0.458 459 L N -0.488 120.780 121.223 0.075 0.000 2.592 459 L HA 0.085 4.425 4.340 0.001 0.000 0.227 459 L C 1.359 178.322 176.870 0.154 0.000 1.127 459 L CA 0.014 54.930 54.840 0.126 0.000 0.884 459 L CB 0.393 42.575 42.059 0.204 0.000 1.065 459 L HN 0.051 nan 8.230 nan 0.000 0.457 460 S N -1.337 114.405 115.700 0.071 0.000 3.972 460 S HA 0.393 4.864 4.470 0.001 0.000 0.190 460 S C -1.549 173.148 174.600 0.161 0.000 1.204 460 S CA -0.165 58.068 58.200 0.055 0.000 1.285 460 S CB 0.506 63.547 63.200 -0.266 0.000 1.849 460 S HN 0.130 nan 8.310 nan 0.000 0.762 461 Y N -1.007 119.235 120.300 -0.098 0.000 2.702 461 Y HA 0.520 5.071 4.550 0.001 0.000 0.336 461 Y C 0.775 176.649 175.900 -0.043 0.000 1.203 461 Y CA -0.387 57.669 58.100 -0.072 0.000 1.072 461 Y CB -0.106 38.317 38.460 -0.063 0.000 1.327 461 Y HN 0.677 nan 8.280 nan 0.000 0.456 462 H N 0.218 119.304 119.070 0.027 0.000 2.251 462 H HA -0.237 4.320 4.556 0.001 0.000 0.294 462 H C 1.701 176.981 175.328 -0.080 0.000 1.078 462 H CA 2.774 58.791 56.048 -0.051 0.000 1.246 462 H CB 0.273 30.022 29.762 -0.021 0.000 1.358 462 H HN 0.805 nan 8.280 nan 0.000 0.488 463 Q N 0.600 120.387 119.800 -0.022 0.000 2.181 463 Q HA -0.150 4.191 4.340 0.001 0.000 0.205 463 Q C 2.412 178.297 176.000 -0.191 0.000 0.980 463 Q CA 1.165 56.890 55.803 -0.129 0.000 0.862 463 Q CB -0.257 28.508 28.738 0.046 0.000 0.905 463 Q HN 0.225 nan 8.270 nan 0.000 0.429 464 R N 0.084 120.309 120.500 -0.457 0.000 2.070 464 R HA -0.083 4.258 4.340 0.001 0.000 0.233 464 R C 1.931 177.948 176.300 -0.472 0.000 1.137 464 R CA 1.445 57.127 56.100 -0.697 0.000 0.945 464 R CB -0.727 28.679 30.300 -1.490 0.000 0.845 464 R HN 0.359 nan 8.270 nan 0.000 0.430 465 I N 1.044 121.332 120.570 -0.470 0.000 2.394 465 I HA -0.227 3.944 4.170 0.001 0.000 0.251 465 I C 2.284 178.243 176.117 -0.262 0.000 1.136 465 I CA 0.641 61.709 61.300 -0.386 0.000 1.425 465 I CB -1.146 36.658 38.000 -0.326 0.000 1.079 465 I HN 0.115 nan 8.210 nan 0.000 0.425 466 L N 0.768 121.865 121.223 -0.211 0.000 2.362 466 L HA -0.129 4.211 4.340 0.001 0.000 0.219 466 L C 1.756 178.538 176.870 -0.147 0.000 1.134 466 L CA 1.717 56.455 54.840 -0.169 0.000 0.807 466 L CB -0.600 41.322 42.059 -0.229 0.000 0.927 466 L HN 0.164 nan 8.230 nan 0.000 0.447 467 D N -1.158 119.149 120.400 -0.155 0.000 2.338 467 D HA 0.040 4.681 4.640 0.001 0.000 0.208 467 D C 2.098 178.349 176.300 -0.082 0.000 0.997 467 D CA 1.088 55.027 54.000 -0.102 0.000 0.880 467 D CB 0.228 40.977 40.800 -0.084 0.000 0.980 467 D HN 0.540 nan 8.370 nan 0.000 0.509 468 I N -0.449 120.054 120.570 -0.111 0.000 3.111 468 I HA -0.006 4.164 4.170 0.001 0.000 0.272 468 I C 0.658 176.750 176.117 -0.041 0.000 1.268 468 I CA 0.056 61.340 61.300 -0.027 0.000 1.467 468 I CB -0.053 37.952 38.000 0.007 0.000 1.087 468 I HN -0.268 nan 8.210 nan 0.000 0.467 469 V N -1.365 118.429 119.914 -0.199 0.000 2.630 469 V HA 0.674 4.795 4.120 0.001 0.000 0.305 469 V C -2.601 173.414 176.094 -0.132 0.000 1.046 469 V CA -2.294 59.798 62.300 -0.347 0.000 0.934 469 V CB 0.668 32.180 31.823 -0.518 0.000 1.003 469 V HN -0.074 nan 8.190 nan 0.000 0.451 470 P HA 0.274 nan 4.420 nan 0.000 0.270 470 P C -2.222 175.159 177.300 0.135 0.000 1.223 470 P CA -1.104 62.030 63.100 0.056 0.000 0.785 470 P CB -0.035 31.734 31.700 0.115 0.000 0.923 471 P HA -0.180 nan 4.420 nan 0.000 0.216 471 P C 1.122 178.501 177.300 0.132 0.000 1.150 471 P CA 1.786 64.942 63.100 0.094 0.000 0.843 471 P CB -0.561 31.179 31.700 0.067 0.000 0.787 472 T N -5.221 109.453 114.554 0.200 0.000 3.155 472 T HA -0.030 4.320 4.350 0.001 0.000 0.264 472 T C 0.858 175.610 174.700 0.087 0.000 1.160 472 T CA 0.775 62.967 62.100 0.154 0.000 1.075 472 T CB -0.987 67.983 68.868 0.170 0.000 0.921 472 T HN -0.013 nan 8.240 nan 0.000 0.533 473 F N 1.161 121.119 119.950 0.013 0.000 2.706 473 F HA 0.291 4.819 4.527 0.001 0.000 0.313 473 F C 2.300 178.072 175.800 -0.046 0.000 1.096 473 F CA -0.494 57.498 58.000 -0.013 0.000 1.219 473 F CB 0.164 39.122 39.000 -0.070 0.000 1.051 473 F HN 0.195 nan 8.300 nan 0.000 0.568 474 S N 0.295 116.063 115.700 0.113 0.000 2.402 474 S HA -0.260 4.211 4.470 0.001 0.000 0.233 474 S C 2.279 176.904 174.600 0.042 0.000 1.030 474 S CA 1.149 59.380 58.200 0.052 0.000 1.003 474 S CB -0.706 62.515 63.200 0.035 0.000 0.813 474 S HN 0.255 nan 8.310 nan 0.000 0.477 475 A N 1.544 124.382 122.820 0.029 0.000 1.930 475 A HA 0.214 4.535 4.320 0.001 0.000 0.217 475 A C 2.007 179.605 177.584 0.023 0.000 1.175 475 A CA 1.185 53.234 52.037 0.019 0.000 0.627 475 A CB -0.658 18.341 19.000 -0.000 0.000 0.815 475 A HN 0.477 nan 8.150 nan 0.000 0.443 476 L N -0.122 121.114 121.223 0.023 0.000 2.610 476 L HA 0.031 4.372 4.340 0.001 0.000 0.232 476 L C 0.797 177.683 176.870 0.027 0.000 1.149 476 L CA 0.078 54.941 54.840 0.038 0.000 0.872 476 L CB -1.204 40.897 42.059 0.070 0.000 0.992 476 L HN 0.311 nan 8.230 nan 0.000 0.447 477 C N 0.988 120.300 119.300 0.020 0.000 2.604 477 C HA 0.311 4.772 4.460 0.001 0.000 0.396 477 C C -1.561 173.430 174.990 0.002 0.000 1.282 477 C CA -1.088 57.931 59.018 0.003 0.000 2.292 477 C CB 0.208 27.966 27.740 0.029 0.000 2.633 477 C HN 0.224 nan 8.230 nan 0.000 0.620 478 P HA 0.148 nan 4.420 nan 0.000 0.275 478 P C -0.253 176.899 177.300 -0.248 0.000 1.227 478 P CA 0.233 63.270 63.100 -0.105 0.000 0.781 478 P CB 0.652 32.283 31.700 -0.114 0.000 0.906 479 S N 2.257 117.831 115.700 -0.211 0.000 2.589 479 S HA 0.035 4.506 4.470 0.001 0.000 0.265 479 S C 0.422 174.710 174.600 -0.519 0.000 1.342 479 S CA -0.536 57.503 58.200 -0.268 0.000 1.005 479 S CB -0.190 62.941 63.200 -0.115 0.000 0.909 479 S HN 0.481 nan 8.310 nan 0.000 0.555 480 N N 2.333 120.752 118.700 -0.469 0.000 2.452 480 N HA 0.245 4.985 4.740 0.001 0.000 0.266 480 N C -2.207 173.192 175.510 -0.186 0.000 1.175 480 N CA -1.828 51.004 53.050 -0.363 0.000 0.945 480 N CB 0.421 38.907 38.487 -0.002 0.000 1.063 480 N HN 0.441 nan 8.380 nan 0.000 0.472 481 P HA 0.021 nan 4.420 nan 0.000 0.238 481 P C -0.894 176.374 177.300 -0.053 0.000 1.729 481 P CA -0.108 62.888 63.100 -0.174 0.000 1.055 481 P CB -0.925 30.505 31.700 -0.450 0.000 1.980 482 T N -0.951 113.616 114.554 0.020 0.000 2.867 482 T HA 0.232 4.583 4.350 0.001 0.000 0.282 482 T C 0.464 175.195 174.700 0.051 0.000 1.000 482 T CA -0.830 61.304 62.100 0.057 0.000 1.042 482 T CB 0.902 69.772 68.868 0.003 0.000 0.973 482 T HN 0.272 nan 8.240 nan 0.000 0.465 483 C N 3.093 122.363 119.300 -0.050 0.000 2.775 483 C HA 0.483 4.944 4.460 0.001 0.000 0.391 483 C C 0.136 174.924 174.990 -0.336 0.000 1.295 483 C CA -0.471 58.207 59.018 -0.568 0.000 2.119 483 C CB -1.304 25.957 27.740 -0.798 0.000 2.705 483 C HN 0.839 nan 8.230 nan 0.000 0.710 484 I N 3.986 124.310 120.570 -0.411 0.000 2.478 484 I HA 0.319 4.490 4.170 0.001 0.000 0.287 484 I C -0.961 175.110 176.117 -0.076 0.000 1.042 484 I CA -0.325 60.867 61.300 -0.179 0.000 1.067 484 I CB 1.312 39.209 38.000 -0.170 0.000 1.233 484 I HN 0.707 nan 8.210 nan 0.000 0.431 485 Y N 6.126 126.354 120.300 -0.121 0.000 2.341 485 Y HA 0.281 4.831 4.550 0.001 0.000 0.338 485 Y C 0.852 176.658 175.900 -0.155 0.000 0.965 485 Y CA -0.682 57.338 58.100 -0.134 0.000 1.108 485 Y CB 2.018 40.422 38.460 -0.094 0.000 1.180 485 Y HN 0.597 nan 8.280 nan 0.000 0.458 486 K N 3.914 124.203 120.400 -0.185 0.000 2.305 486 K HA -0.006 4.314 4.320 0.001 0.000 0.199 486 K C -0.360 176.027 176.600 -0.356 0.000 1.047 486 K CA 0.864 56.951 56.287 -0.334 0.000 0.976 486 K CB 0.170 32.394 32.500 -0.460 0.000 0.765 486 K HN 0.724 nan 8.250 nan 0.000 0.474 487 Y N -0.047 119.727 120.300 -0.877 0.000 2.781 487 Y HA 0.272 4.822 4.550 0.001 0.000 0.326 487 Y C 0.875 176.054 175.900 -1.201 0.000 1.019 487 Y CA -1.348 56.220 58.100 -0.887 0.000 1.372 487 Y CB 0.891 38.920 38.460 -0.720 0.000 1.260 487 Y HN 0.052 nan 8.280 nan 0.000 0.546 488 G N -0.192 108.211 108.800 -0.662 0.000 2.695 488 G HA2 0.011 3.972 3.960 0.001 0.000 0.213 488 G HA3 0.011 3.972 3.960 0.001 0.000 0.213 488 G C 0.311 175.169 174.900 -0.070 0.000 1.406 488 G CA -0.373 44.575 45.100 -0.254 0.000 1.049 488 G HN 0.187 nan 8.290 nan 0.000 0.573 489 D N -0.495 119.911 120.400 0.010 0.000 2.323 489 D HA 0.011 4.652 4.640 0.001 0.000 0.239 489 D C 1.122 177.424 176.300 0.002 0.000 1.129 489 D CA 0.466 54.477 54.000 0.017 0.000 0.865 489 D CB 0.848 41.672 40.800 0.039 0.000 0.913 489 D HN 0.634 nan 8.370 nan 0.000 0.517 490 E N 0.302 120.493 120.200 -0.015 0.000 2.474 490 E HA -0.042 4.309 4.350 0.001 0.000 0.215 490 E C 0.784 177.361 176.600 -0.039 0.000 0.867 490 E CA -0.085 56.303 56.400 -0.021 0.000 1.135 490 E CB 0.640 30.331 29.700 -0.015 0.000 1.147 490 E HN 0.087 nan 8.360 nan 0.000 0.534 491 S N 0.466 116.135 115.700 -0.051 0.000 2.658 491 S HA 0.138 4.609 4.470 0.001 0.000 0.249 491 S C 0.409 174.937 174.600 -0.121 0.000 1.363 491 S CA -0.046 58.115 58.200 -0.064 0.000 0.964 491 S CB 0.921 64.113 63.200 -0.013 0.000 0.973 491 S HN 0.240 nan 8.310 nan 0.000 0.588 492 S N -1.156 114.403 115.700 -0.236 0.000 2.595 492 S HA 0.399 4.869 4.470 0.001 0.000 0.281 492 S C 0.414 174.630 174.600 -0.640 0.000 1.117 492 S CA -0.556 57.465 58.200 -0.298 0.000 0.873 492 S CB 0.946 64.038 63.200 -0.179 0.000 1.108 492 S HN 0.895 nan 8.310 nan 0.000 0.477 493 N N 0.185 118.607 118.700 -0.464 0.000 2.512 493 N HA -0.103 4.638 4.740 0.001 0.000 0.183 493 N C 0.712 176.038 175.510 -0.307 0.000 1.073 493 N CA 0.621 53.402 53.050 -0.448 0.000 0.911 493 N CB -0.181 38.223 38.487 -0.138 0.000 0.964 493 N HN 0.592 nan 8.380 nan 0.000 0.447 494 S N 0.562 116.113 115.700 -0.249 0.000 3.149 494 S HA 0.369 4.840 4.470 0.001 0.000 0.228 494 S C -0.238 174.284 174.600 -0.130 0.000 1.393 494 S CA -0.753 57.361 58.200 -0.144 0.000 1.224 494 S CB -0.412 62.731 63.200 -0.096 0.000 1.112 494 S HN 0.201 nan 8.310 nan 0.000 0.502 495 L N 0.885 122.011 121.223 -0.161 0.000 2.386 495 L HA 0.541 4.882 4.340 0.001 0.000 0.271 495 L C -2.715 174.131 176.870 -0.040 0.000 0.993 495 L CA -2.786 52.010 54.840 -0.074 0.000 0.819 495 L CB 2.263 44.281 42.059 -0.069 0.000 1.294 495 L HN 0.055 nan 8.230 nan 0.000 0.414 496 P HA 0.040 nan 4.420 nan 0.000 0.260 496 P C 0.705 177.996 177.300 -0.015 0.000 1.185 496 P CA 0.638 63.749 63.100 0.019 0.000 0.763 496 P CB 0.543 32.281 31.700 0.064 0.000 0.776 497 G N 2.436 111.205 108.800 -0.052 0.000 2.203 497 G HA2 -0.374 3.587 3.960 0.001 0.000 0.263 497 G HA3 -0.374 3.587 3.960 0.001 0.000 0.263 497 G C 1.026 175.758 174.900 -0.280 0.000 1.012 497 G CA 0.923 45.964 45.100 -0.098 0.000 0.749 497 G HN 0.674 nan 8.290 nan 0.000 0.512 498 H N 1.945 120.741 119.070 -0.457 0.000 2.254 498 H HA -0.166 4.391 4.556 0.002 0.000 0.294 498 H C 2.881 177.943 175.328 -0.442 0.000 1.071 498 H CA 3.510 59.147 56.048 -0.685 0.000 1.228 498 H CB -0.486 29.017 29.762 -0.431 0.000 1.358 498 H HN 0.646 nan 8.280 nan 0.000 0.495 499 S N -0.437 115.030 115.700 -0.389 0.000 2.419 499 S HA -0.141 4.330 4.470 0.001 0.000 0.235 499 S C 2.333 176.778 174.600 -0.259 0.000 1.019 499 S CA 1.315 59.310 58.200 -0.342 0.000 0.982 499 S CB -0.922 62.188 63.200 -0.150 0.000 0.789 499 S HN 0.260 nan 8.310 nan 0.000 0.490 500 V N 2.246 122.035 119.914 -0.209 0.000 2.407 500 V HA -0.096 4.025 4.120 0.001 0.000 0.248 500 V C 3.066 179.079 176.094 -0.135 0.000 1.055 500 V CA 1.604 63.819 62.300 -0.141 0.000 1.049 500 V CB -1.505 30.261 31.823 -0.095 0.000 0.662 500 V HN 0.678 nan 8.190 nan 0.000 0.455 501 A N 0.027 122.752 122.820 -0.158 0.000 1.898 501 A HA -0.025 4.296 4.320 0.001 0.000 0.214 501 A C 2.158 179.700 177.584 -0.070 0.000 1.183 501 A CA 1.226 53.241 52.037 -0.037 0.000 0.622 501 A CB -0.461 18.626 19.000 0.145 0.000 0.824 501 A HN 0.495 nan 8.150 nan 0.000 0.444 502 L N -0.578 120.528 121.223 -0.194 0.000 2.187 502 L HA -0.260 4.081 4.340 0.001 0.000 0.213 502 L C 2.444 179.243 176.870 -0.117 0.000 1.100 502 L CA 1.111 55.850 54.840 -0.167 0.000 0.765 502 L CB -0.857 41.027 42.059 -0.292 0.000 0.904 502 L HN 0.471 nan 8.230 nan 0.000 0.437 503 C N -0.543 118.675 119.300 -0.136 0.000 2.464 503 C HA 0.005 4.465 4.460 0.001 0.000 0.278 503 C C 2.688 177.583 174.990 -0.157 0.000 1.375 503 C CA -0.008 58.937 59.018 -0.123 0.000 1.761 503 C CB -0.580 27.090 27.740 -0.117 0.000 1.944 503 C HN 0.444 nan 8.230 nan 0.000 0.509 504 L N 1.169 122.276 121.223 -0.193 0.000 2.109 504 L HA -0.069 4.272 4.340 0.001 0.000 0.207 504 L C 2.895 179.553 176.870 -0.353 0.000 1.086 504 L CA 1.337 55.952 54.840 -0.375 0.000 0.760 504 L CB -0.710 41.135 42.059 -0.358 0.000 0.910 504 L HN 0.293 nan 8.230 nan 0.000 0.437 505 A N -0.083 122.680 122.820 -0.095 0.000 1.917 505 A HA -0.188 4.133 4.320 0.001 0.000 0.219 505 A C 2.255 179.862 177.584 0.038 0.000 1.182 505 A CA 2.180 54.248 52.037 0.052 0.000 0.633 505 A CB -0.847 18.197 19.000 0.073 0.000 0.819 505 A HN 0.239 nan 8.150 nan 0.000 0.448 506 V N -0.592 119.306 119.914 -0.026 0.000 2.591 506 V HA -0.106 4.015 4.120 0.001 0.000 0.249 506 V C 2.924 179.004 176.094 -0.024 0.000 1.053 506 V CA 1.486 63.781 62.300 -0.009 0.000 1.068 506 V CB -1.169 30.639 31.823 -0.025 0.000 0.689 506 V HN 0.608 nan 8.190 nan 0.000 0.462 507 A N -0.128 122.616 122.820 -0.126 0.000 1.902 507 A HA -0.139 4.181 4.320 0.001 0.000 0.217 507 A C 2.112 179.668 177.584 -0.047 0.000 1.181 507 A CA 1.635 53.575 52.037 -0.161 0.000 0.623 507 A CB -0.678 18.110 19.000 -0.352 0.000 0.818 507 A HN 0.498 nan 8.150 nan 0.000 0.443 508 F N -0.007 119.948 119.950 0.008 0.000 2.146 508 F HA -0.127 4.401 4.527 0.001 0.000 0.298 508 F C 2.437 178.287 175.800 0.085 0.000 1.096 508 F CA 1.272 59.304 58.000 0.053 0.000 1.275 508 F CB -0.069 38.924 39.000 -0.013 0.000 1.008 508 F HN 0.122 nan 8.300 nan 0.000 0.480 509 K N 0.319 120.862 120.400 0.238 0.000 2.057 509 K HA -0.145 4.176 4.320 0.001 0.000 0.207 509 K C 1.895 178.568 176.600 0.121 0.000 1.049 509 K CA 1.696 58.076 56.287 0.154 0.000 0.931 509 K CB -0.433 32.133 32.500 0.109 0.000 0.714 509 K HN 0.200 nan 8.250 nan 0.000 0.440 510 S N 1.287 117.048 115.700 0.102 0.000 2.660 510 S HA -0.018 4.452 4.470 0.001 0.000 0.228 510 S C 0.160 174.820 174.600 0.100 0.000 0.966 510 S CA 0.058 58.305 58.200 0.079 0.000 0.940 510 S CB -0.296 62.935 63.200 0.050 0.000 0.773 510 S HN 0.238 nan 8.310 nan 0.000 0.535 511 K N 0.806 121.296 120.400 0.150 0.000 5.728 511 K HA -0.150 4.171 4.320 0.001 0.000 0.427 511 K C -0.184 176.516 176.600 0.166 0.000 1.056 511 K CA 0.797 57.184 56.287 0.168 0.000 1.274 511 K CB -1.789 30.773 32.500 0.102 0.000 1.831 511 K HN 0.674 nan 8.250 nan 0.000 0.384 512 A N 2.373 125.343 122.820 0.251 0.000 2.352 512 A HA 0.807 5.127 4.320 0.001 0.000 0.299 512 A C 0.210 177.959 177.584 0.276 0.000 1.160 512 A CA 0.180 52.346 52.037 0.215 0.000 0.933 512 A CB 1.443 20.542 19.000 0.165 0.000 1.387 512 A HN 0.745 nan 8.150 nan 0.000 0.487 513 T N -1.525 113.162 114.554 0.221 0.000 2.938 513 T HA 0.254 4.605 4.350 0.001 0.000 0.285 513 T C 1.068 175.933 174.700 0.275 0.000 1.028 513 T CA -0.534 61.687 62.100 0.201 0.000 1.005 513 T CB 0.574 69.514 68.868 0.122 0.000 1.157 513 T HN 0.538 nan 8.240 nan 0.000 0.550 514 N N 1.447 120.284 118.700 0.228 0.000 2.036 514 N HA -0.137 4.604 4.740 0.001 0.000 0.195 514 N C 1.245 176.825 175.510 0.117 0.000 1.037 514 N CA 2.035 55.175 53.050 0.149 0.000 0.855 514 N CB -0.556 38.011 38.487 0.133 0.000 1.033 514 N HN 0.645 nan 8.380 nan 0.000 0.423 515 D N 0.961 121.528 120.400 0.277 0.000 2.158 515 D HA -0.146 4.495 4.640 0.001 0.000 0.197 515 D C 1.795 178.225 176.300 0.217 0.000 0.995 515 D CA 1.084 55.284 54.000 0.332 0.000 0.846 515 D CB -0.172 40.749 40.800 0.201 0.000 0.941 515 D HN 0.496 nan 8.370 nan 0.000 0.456 516 E N -0.241 120.042 120.200 0.140 0.000 2.028 516 E HA -0.120 4.231 4.350 0.001 0.000 0.191 516 E C 1.993 178.609 176.600 0.027 0.000 0.988 516 E CA 0.576 57.024 56.400 0.080 0.000 0.799 516 E CB -0.035 29.710 29.700 0.074 0.000 0.755 516 E HN 0.234 nan 8.360 nan 0.000 0.447 517 I N 0.488 121.048 120.570 -0.018 0.000 2.361 517 I HA -0.222 3.948 4.170 0.001 0.000 0.251 517 I C 1.861 177.902 176.117 -0.125 0.000 1.133 517 I CA 1.057 62.265 61.300 -0.153 0.000 1.413 517 I CB -0.309 37.553 38.000 -0.230 0.000 1.073 517 I HN 0.022 nan 8.210 nan 0.000 0.424 518 F N 0.159 120.073 119.950 -0.060 0.000 2.069 518 F HA -0.242 4.285 4.527 0.001 0.000 0.298 518 F C 2.914 178.668 175.800 -0.077 0.000 1.113 518 F CA 1.834 59.782 58.000 -0.087 0.000 1.214 518 F CB -1.241 37.728 39.000 -0.053 0.000 0.978 518 F HN -0.012 nan 8.300 nan 0.000 0.474 519 S N -0.200 115.596 115.700 0.160 0.000 2.419 519 S HA -0.115 4.355 4.470 0.001 0.000 0.233 519 S C 2.049 176.657 174.600 0.014 0.000 1.016 519 S CA 0.935 59.172 58.200 0.063 0.000 0.974 519 S CB -0.513 62.715 63.200 0.047 0.000 0.786 519 S HN 0.304 nan 8.310 nan 0.000 0.492 520 I N 0.675 121.238 120.570 -0.011 0.000 2.617 520 I HA -0.037 4.134 4.170 0.001 0.000 0.256 520 I C 1.508 177.593 176.117 -0.053 0.000 1.167 520 I CA 0.790 62.057 61.300 -0.054 0.000 1.469 520 I CB -0.149 37.785 38.000 -0.108 0.000 1.098 520 I HN 0.243 nan 8.210 nan 0.000 0.436 521 L N 0.528 121.729 121.223 -0.037 0.000 2.599 521 L HA 0.003 4.343 4.340 0.001 0.000 0.230 521 L C 2.191 179.050 176.870 -0.018 0.000 1.141 521 L CA 0.209 55.030 54.840 -0.032 0.000 0.877 521 L CB -0.358 41.674 42.059 -0.044 0.000 1.009 521 L HN 0.133 nan 8.230 nan 0.000 0.447 522 K N 0.101 120.494 120.400 -0.012 0.000 2.103 522 K HA -0.075 4.246 4.320 0.001 0.000 0.204 522 K C 0.687 177.271 176.600 -0.027 0.000 1.052 522 K CA 0.900 57.177 56.287 -0.017 0.000 0.945 522 K CB -0.165 32.327 32.500 -0.013 0.000 0.722 522 K HN 0.306 nan 8.250 nan 0.000 0.443 523 D N 1.827 122.208 120.400 -0.031 0.000 2.490 523 D HA -0.010 4.630 4.640 0.001 0.000 0.255 523 D C -0.318 175.959 176.300 -0.038 0.000 1.248 523 D CA 0.281 54.260 54.000 -0.036 0.000 0.887 523 D CB -0.071 40.704 40.800 -0.041 0.000 0.978 523 D HN -0.147 nan 8.370 nan 0.000 0.491 524 V N 2.665 122.558 119.914 -0.036 0.000 2.448 524 V HA 0.254 4.374 4.120 0.001 0.000 0.295 524 V C -1.816 174.254 176.094 -0.039 0.000 1.025 524 V CA -1.617 60.661 62.300 -0.036 0.000 0.859 524 V CB 2.120 33.924 31.823 -0.031 0.000 0.988 524 V HN 0.011 nan 8.190 nan 0.000 0.431 525 P HA 0.126 nan 4.420 nan 0.000 0.272 525 P C -0.717 176.552 177.300 -0.052 0.000 1.230 525 P CA -0.374 62.702 63.100 -0.039 0.000 0.788 525 P CB 0.884 32.565 31.700 -0.031 0.000 0.949 526 N N 2.371 121.039 118.700 -0.055 0.000 2.817 526 N HA 0.195 4.936 4.740 0.001 0.000 0.234 526 N C -1.655 173.817 175.510 -0.063 0.000 1.066 526 N CA -1.286 51.719 53.050 -0.075 0.000 0.926 526 N CB -0.079 38.366 38.487 -0.070 0.000 1.176 526 N HN 0.346 nan 8.380 nan 0.000 0.506 539 F N 2.003 121.947 119.950 -0.010 0.000 2.653 539 F HA 0.625 5.152 4.527 0.001 0.000 0.327 539 F C -1.498 174.289 175.800 -0.021 0.000 1.195 539 F CA -0.638 57.356 58.000 -0.011 0.000 0.993 539 F CB 1.564 40.555 39.000 -0.014 0.000 1.259 539 F HN 0.799 nan 8.300 nan 0.000 0.478 540 N N 8.633 126.965 118.700 -0.614 0.000 2.518 540 N HA 0.349 5.089 4.740 0.001 0.000 0.254 540 N C -2.059 172.991 175.510 -0.767 0.000 0.979 540 N CA -2.158 50.535 53.050 -0.595 0.000 0.930 540 N CB 2.401 40.738 38.487 -0.250 0.000 1.152 540 N HN 0.335 nan 8.380 nan 0.000 0.505 541 P HA -0.174 nan 4.420 nan 0.000 0.215 541 P C 1.533 178.738 177.300 -0.158 0.000 1.153 541 P CA 0.648 63.325 63.100 -0.704 0.000 0.853 541 P CB 0.699 32.051 31.700 -0.580 0.000 0.788 542 L N 0.089 121.248 121.223 -0.108 0.000 2.056 542 L HA -0.059 4.282 4.340 0.001 0.000 0.207 542 L C 2.552 179.461 176.870 0.065 0.000 1.078 542 L CA 1.903 56.764 54.840 0.036 0.000 0.749 542 L CB -1.104 40.962 42.059 0.013 0.000 0.901 542 L HN -0.209 nan 8.230 nan 0.000 0.433 543 K N -0.487 119.910 120.400 -0.006 0.000 2.063 543 K HA -0.177 4.144 4.320 0.001 0.000 0.208 543 K C 2.079 178.731 176.600 0.088 0.000 1.048 543 K CA 1.949 58.245 56.287 0.016 0.000 0.928 543 K CB -0.328 32.147 32.500 -0.042 0.000 0.713 543 K HN 0.366 nan 8.250 nan 0.000 0.442 544 I N 0.807 121.447 120.570 0.118 0.000 2.252 544 I HA -0.242 3.929 4.170 0.001 0.000 0.245 544 I C 2.640 178.911 176.117 0.257 0.000 1.102 544 I CA 1.108 62.545 61.300 0.228 0.000 1.385 544 I CB -0.229 37.978 38.000 0.345 0.000 1.064 544 I HN 0.281 nan 8.210 nan 0.000 0.414 545 E N 1.138 121.493 120.200 0.259 0.000 2.051 545 E HA -0.223 4.128 4.350 0.001 0.000 0.192 545 E C 2.265 178.972 176.600 0.180 0.000 0.991 545 E CA 2.283 58.796 56.400 0.189 0.000 0.799 545 E CB 0.051 29.894 29.700 0.237 0.000 0.748 545 E HN 0.413 nan 8.360 nan 0.000 0.449 546 V N -0.836 119.226 119.914 0.247 0.000 2.515 546 V HA -0.152 3.969 4.120 0.001 0.000 0.250 546 V C 2.181 178.418 176.094 0.238 0.000 1.058 546 V CA 1.632 64.113 62.300 0.302 0.000 1.064 546 V CB -0.911 31.067 31.823 0.258 0.000 0.675 546 V HN 0.303 nan 8.190 nan 0.000 0.461 547 F N 1.145 121.121 119.950 0.042 0.000 2.206 547 F HA 0.018 4.546 4.527 0.001 0.000 0.298 547 F C 2.058 177.857 175.800 -0.001 0.000 1.090 547 F CA 1.852 59.841 58.000 -0.019 0.000 1.323 547 F CB -0.229 38.685 39.000 -0.143 0.000 1.028 547 F HN 0.032 nan 8.300 nan 0.000 0.492 548 V N 0.202 120.078 119.914 -0.062 0.000 2.331 548 V HA -0.196 3.925 4.120 0.001 0.000 0.242 548 V C 2.369 178.408 176.094 -0.091 0.000 1.034 548 V CA 1.581 63.814 62.300 -0.112 0.000 1.027 548 V CB -0.768 31.088 31.823 0.055 0.000 0.667 548 V HN 0.241 nan 8.190 nan 0.000 0.457 549 Q N -0.102 119.678 119.800 -0.033 0.000 2.308 549 Q HA -0.193 4.148 4.340 0.001 0.000 0.209 549 Q C 2.164 178.086 176.000 -0.130 0.000 0.985 549 Q CA 2.041 57.812 55.803 -0.054 0.000 0.881 549 Q CB -0.285 28.441 28.738 -0.022 0.000 0.917 549 Q HN 0.651 nan 8.270 nan 0.000 0.443 550 T N 0.233 114.762 114.554 -0.041 0.000 3.021 550 T HA 0.002 4.353 4.350 0.001 0.000 0.245 550 T C 1.652 176.310 174.700 -0.069 0.000 1.028 550 T CA -0.035 62.048 62.100 -0.028 0.000 1.139 550 T CB 0.018 69.008 68.868 0.203 0.000 0.884 550 T HN 0.071 nan 8.240 nan 0.000 0.457 551 L N 1.278 122.373 121.223 -0.214 0.000 2.141 551 L HA 0.196 4.537 4.340 0.001 0.000 0.209 551 L C 1.930 178.633 176.870 -0.278 0.000 1.094 551 L CA 1.512 56.024 54.840 -0.546 0.000 0.763 551 L CB -0.651 40.917 42.059 -0.820 0.000 0.908 551 L HN 0.232 nan 8.230 nan 0.000 0.437 552 L N -1.586 119.547 121.223 -0.149 0.000 2.095 552 L HA -0.172 4.168 4.340 0.001 0.000 0.204 552 L C 2.638 179.482 176.870 -0.043 0.000 1.080 552 L CA 1.144 55.979 54.840 -0.009 0.000 0.759 552 L CB -0.897 41.188 42.059 0.044 0.000 0.914 552 L HN 0.427 nan 8.230 nan 0.000 0.439 553 H N 1.313 120.197 119.070 -0.311 0.000 2.352 553 H HA -0.126 4.431 4.556 0.001 0.000 0.299 553 H C 1.825 177.030 175.328 -0.205 0.000 1.097 553 H CA 1.348 57.160 56.048 -0.394 0.000 1.311 553 H CB 0.069 29.333 29.762 -0.830 0.000 1.377 553 H HN 0.265 nan 8.280 nan 0.000 0.504 554 L N 0.407 121.621 121.223 -0.015 0.000 2.693 554 L HA 0.114 4.455 4.340 0.001 0.000 0.242 554 L C 1.327 178.201 176.870 0.006 0.000 1.157 554 L CA 0.602 55.457 54.840 0.024 0.000 0.929 554 L CB 0.046 42.141 42.059 0.060 0.000 1.103 554 L HN 0.269 nan 8.230 nan 0.000 0.430 555 A N -0.925 121.901 122.820 0.011 0.000 2.665 555 A HA 0.489 4.810 4.320 0.001 0.000 0.268 555 A C 1.556 179.223 177.584 0.137 0.000 1.044 555 A CA 0.319 52.417 52.037 0.103 0.000 0.993 555 A CB 0.102 19.146 19.000 0.074 0.000 1.229 555 A HN 0.171 nan 8.150 nan 0.000 0.576 556 A N 0.427 123.318 122.820 0.119 0.000 2.276 556 A HA 0.020 4.341 4.320 0.001 0.000 0.205 556 A C 1.743 179.406 177.584 0.133 0.000 1.234 556 A CA 1.524 53.753 52.037 0.320 0.000 0.797 556 A CB -0.467 18.613 19.000 0.134 0.000 0.769 556 A HN 0.551 nan 8.150 nan 0.000 0.491 557 K N 0.279 120.652 120.400 -0.044 0.000 1.974 557 K HA -0.024 4.297 4.320 0.001 0.000 0.211 557 K C 1.007 177.432 176.600 -0.292 0.000 1.039 557 K CA 1.424 57.565 56.287 -0.245 0.000 0.947 557 K CB -0.070 32.098 32.500 -0.553 0.000 0.735 557 K HN 0.556 nan 8.250 nan 0.000 0.441 558 S N -1.870 113.608 115.700 -0.371 0.000 2.704 558 S HA 0.311 4.782 4.470 0.001 0.000 0.296 558 S C 0.683 175.219 174.600 -0.105 0.000 1.138 558 S CA -0.945 57.090 58.200 -0.275 0.000 0.875 558 S CB 0.589 63.609 63.200 -0.300 0.000 1.151 558 S HN 0.093 nan 8.310 nan 0.000 0.500 559 F N 1.407 121.121 119.950 -0.395 0.000 2.134 559 F HA 0.037 4.565 4.527 0.001 0.000 0.299 559 F C 2.913 178.175 175.800 -0.896 0.000 1.097 559 F CA 1.040 58.591 58.000 -0.748 0.000 1.264 559 F CB -1.585 36.990 39.000 -0.707 0.000 1.001 559 F HN 0.578 nan 8.300 nan 0.000 0.479 560 S N -1.250 114.332 115.700 -0.197 0.000 2.419 560 S HA -0.190 4.280 4.470 0.001 0.000 0.233 560 S C 1.719 176.343 174.600 0.040 0.000 1.016 560 S CA 0.960 59.142 58.200 -0.031 0.000 0.974 560 S CB -0.414 62.839 63.200 0.088 0.000 0.786 560 S HN 0.384 nan 8.310 nan 0.000 0.492 561 H N 0.842 119.845 119.070 -0.112 0.000 2.423 561 H HA 0.111 4.667 4.556 0.001 0.000 0.297 561 H C 2.378 177.673 175.328 -0.054 0.000 1.075 561 H CA 1.389 57.401 56.048 -0.060 0.000 1.342 561 H CB -0.177 29.554 29.762 -0.051 0.000 1.395 561 H HN 0.240 nan 8.280 nan 0.000 0.530 562 S N -0.467 115.232 115.700 -0.003 0.000 2.371 562 S HA -0.026 4.445 4.470 0.001 0.000 0.221 562 S C 1.999 176.662 174.600 0.105 0.000 1.036 562 S CA 0.504 58.699 58.200 -0.008 0.000 0.965 562 S CB -0.266 62.862 63.200 -0.119 0.000 0.845 562 S HN 0.359 nan 8.310 nan 0.000 0.475 563 F N 2.533 122.475 119.950 -0.013 0.000 2.161 563 F HA -0.158 4.370 4.527 0.001 0.000 0.300 563 F C 2.916 178.699 175.800 -0.028 0.000 1.089 563 F CA 0.858 58.834 58.000 -0.039 0.000 1.282 563 F CB -0.460 38.523 39.000 -0.028 0.000 1.010 563 F HN 0.299 nan 8.300 nan 0.000 0.485 564 S N 0.245 116.041 115.700 0.160 0.000 2.453 564 S HA -0.012 4.458 4.470 0.001 0.000 0.231 564 S C 1.887 176.507 174.600 0.032 0.000 1.005 564 S CA 0.536 58.770 58.200 0.056 0.000 0.949 564 S CB -0.339 62.854 63.200 -0.012 0.000 0.774 564 S HN 0.268 nan 8.310 nan 0.000 0.510 565 A N 2.163 125.022 122.820 0.065 0.000 1.903 565 A HA 0.324 4.645 4.320 0.001 0.000 0.213 565 A C 2.232 179.947 177.584 0.219 0.000 1.185 565 A CA 0.845 52.947 52.037 0.109 0.000 0.628 565 A CB -0.711 18.324 19.000 0.057 0.000 0.830 565 A HN 0.494 nan 8.150 nan 0.000 0.446 566 L N -0.551 120.765 121.223 0.155 0.000 2.046 566 L HA -0.173 4.167 4.340 0.001 0.000 0.208 566 L C 3.015 179.987 176.870 0.171 0.000 1.077 566 L CA 1.141 56.038 54.840 0.095 0.000 0.747 566 L CB -0.605 41.377 42.059 -0.127 0.000 0.896 566 L HN 0.422 nan 8.230 nan 0.000 0.432 567 A N -0.079 122.804 122.820 0.106 0.000 1.969 567 A HA -0.198 4.122 4.320 0.001 0.000 0.218 567 A C 2.416 180.034 177.584 0.058 0.000 1.169 567 A CA 1.585 53.665 52.037 0.072 0.000 0.635 567 A CB -0.319 18.683 19.000 0.004 0.000 0.810 567 A HN 0.309 nan 8.150 nan 0.000 0.445 568 K N -0.953 119.435 120.400 -0.019 0.000 1.973 568 K HA -0.066 4.255 4.320 0.001 0.000 0.210 568 K C 0.090 176.534 176.600 -0.260 0.000 1.045 568 K CA 1.356 57.495 56.287 -0.247 0.000 0.937 568 K CB -0.234 31.964 32.500 -0.504 0.000 0.721 568 K HN 0.404 nan 8.250 nan 0.000 0.438 569 F N 1.046 121.146 119.950 0.250 0.000 2.949 569 F HA 0.097 4.625 4.527 0.001 0.000 0.291 569 F C 1.557 177.632 175.800 0.459 0.000 1.214 569 F CA -0.281 57.910 58.000 0.318 0.000 1.381 569 F CB -0.002 39.246 39.000 0.413 0.000 1.066 569 F HN 0.281 nan 8.300 nan 0.000 0.520 570 H N 0.955 120.237 119.070 0.354 0.000 2.389 570 H HA -0.127 4.430 4.556 0.001 0.000 0.299 570 H C 2.003 177.511 175.328 0.299 0.000 1.081 570 H CA 1.876 58.121 56.048 0.327 0.000 1.345 570 H CB 0.246 30.095 29.762 0.145 0.000 1.393 570 H HN 0.526 nan 8.280 nan 0.000 0.520 571 E N 0.284 120.680 120.200 0.326 0.000 2.110 571 E HA -0.102 4.248 4.350 0.001 0.000 0.193 571 E C 2.310 179.033 176.600 0.205 0.000 0.988 571 E CA 1.094 57.652 56.400 0.264 0.000 0.804 571 E CB 0.278 30.149 29.700 0.285 0.000 0.745 571 E HN 0.292 nan 8.360 nan 0.000 0.458 572 V N 0.461 120.402 119.914 0.044 0.000 2.358 572 V HA -0.213 3.908 4.120 0.001 0.000 0.246 572 V C 1.982 177.943 176.094 -0.220 0.000 1.047 572 V CA 1.592 63.683 62.300 -0.347 0.000 1.035 572 V CB -0.653 30.706 31.823 -0.774 0.000 0.658 572 V HN 0.260 nan 8.190 nan 0.000 0.452 573 F N 0.508 120.459 119.950 0.003 0.000 2.069 573 F HA -0.160 4.368 4.527 0.001 0.000 0.298 573 F C 2.562 178.351 175.800 -0.019 0.000 1.113 573 F CA 1.646 59.681 58.000 0.058 0.000 1.214 573 F CB -0.352 38.695 39.000 0.079 0.000 0.978 573 F HN -0.021 nan 8.300 nan 0.000 0.474 574 K N -0.018 120.437 120.400 0.093 0.000 2.074 574 K HA -0.162 4.159 4.320 0.001 0.000 0.209 574 K C 1.971 178.622 176.600 0.085 0.000 1.048 574 K CA 2.005 58.313 56.287 0.036 0.000 0.926 574 K CB -1.343 31.146 32.500 -0.018 0.000 0.713 574 K HN 0.277 nan 8.250 nan 0.000 0.444 575 T N 1.969 116.594 114.554 0.118 0.000 2.643 575 T HA -0.105 4.246 4.350 0.001 0.000 0.264 575 T C 1.961 176.718 174.700 0.095 0.000 1.045 575 T CA 1.053 63.226 62.100 0.121 0.000 1.155 575 T CB -0.233 68.776 68.868 0.234 0.000 0.863 575 T HN -0.021 nan 8.240 nan 0.000 0.420 576 L N 0.771 122.033 121.223 0.065 0.000 2.191 576 L HA 0.139 4.480 4.340 0.001 0.000 0.212 576 L C 2.126 179.086 176.870 0.149 0.000 1.103 576 L CA 1.023 55.899 54.840 0.059 0.000 0.769 576 L CB -0.604 41.416 42.059 -0.065 0.000 0.908 576 L HN 0.262 nan 8.230 nan 0.000 0.438 577 A N -1.766 121.145 122.820 0.152 0.000 2.630 577 A HA 0.142 4.463 4.320 0.001 0.000 0.290 577 A C 1.825 179.472 177.584 0.105 0.000 1.267 577 A CA -0.249 51.886 52.037 0.162 0.000 0.950 577 A CB -0.404 18.712 19.000 0.193 0.000 1.144 577 A HN 0.332 nan 8.150 nan 0.000 0.527 578 E N 0.203 120.458 120.200 0.093 0.000 2.150 578 E HA -0.084 4.267 4.350 0.001 0.000 0.193 578 E C 1.219 177.844 176.600 0.042 0.000 0.985 578 E CA 0.862 57.298 56.400 0.060 0.000 0.814 578 E CB 0.052 29.784 29.700 0.054 0.000 0.752 578 E HN 0.550 nan 8.360 nan 0.000 0.466 579 S N -0.228 115.501 115.700 0.048 0.000 2.614 579 S HA -0.003 4.468 4.470 0.001 0.000 0.265 579 S C 0.646 175.217 174.600 -0.047 0.000 1.303 579 S CA -0.524 57.672 58.200 -0.007 0.000 1.000 579 S CB 1.028 64.215 63.200 -0.022 0.000 0.935 579 S HN 0.109 nan 8.310 nan 0.000 0.551 580 D N 1.375 121.722 120.400 -0.088 0.000 2.162 580 D HA -0.007 4.634 4.640 0.001 0.000 0.203 580 D C 1.679 177.889 176.300 -0.150 0.000 0.967 580 D CA 1.095 55.043 54.000 -0.086 0.000 0.840 580 D CB -0.090 40.665 40.800 -0.074 0.000 0.972 580 D HN 0.715 nan 8.370 nan 0.000 0.482 581 E N 0.366 120.380 120.200 -0.310 0.000 2.204 581 E HA -0.053 4.297 4.350 0.001 0.000 0.194 581 E C 2.073 178.347 176.600 -0.543 0.000 0.989 581 E CA 0.719 56.789 56.400 -0.550 0.000 0.824 581 E CB -0.044 29.037 29.700 -1.031 0.000 0.756 581 E HN 0.213 nan 8.360 nan 0.000 0.477 582 G N 1.935 110.542 108.800 -0.322 0.000 2.404 582 G HA2 -0.255 3.706 3.960 0.001 0.000 0.215 582 G HA3 -0.255 3.706 3.960 0.001 0.000 0.215 582 G C 1.449 176.442 174.900 0.156 0.000 1.174 582 G CA 0.511 45.681 45.100 0.116 0.000 0.780 582 G HN 0.105 nan 8.290 nan 0.000 0.537 583 K N 0.090 120.525 120.400 0.059 0.000 2.026 583 K HA 0.103 4.424 4.320 0.001 0.000 0.208 583 K C 2.446 179.065 176.600 0.033 0.000 1.048 583 K CA 0.719 57.035 56.287 0.049 0.000 0.929 583 K CB -0.352 32.153 32.500 0.008 0.000 0.713 583 K HN 0.221 nan 8.250 nan 0.000 0.439 584 L N 0.254 121.494 121.223 0.029 0.000 2.191 584 L HA -0.197 4.144 4.340 0.001 0.000 0.212 584 L C 2.477 179.432 176.870 0.141 0.000 1.103 584 L CA 1.100 55.977 54.840 0.062 0.000 0.769 584 L CB -0.428 41.665 42.059 0.056 0.000 0.908 584 L HN 0.293 nan 8.230 nan 0.000 0.438 585 H N -0.758 118.364 119.070 0.087 0.000 2.415 585 H HA -0.046 4.511 4.556 0.001 0.000 0.297 585 H C 2.090 177.508 175.328 0.151 0.000 1.048 585 H CA 1.037 57.191 56.048 0.176 0.000 1.365 585 H CB 0.133 30.095 29.762 0.333 0.000 1.421 585 H HN -0.054 nan 8.280 nan 0.000 0.533 586 V N 0.653 120.651 119.914 0.140 0.000 2.392 586 V HA -0.260 3.861 4.120 0.001 0.000 0.249 586 V C 2.498 178.565 176.094 -0.044 0.000 1.059 586 V CA 1.819 64.174 62.300 0.092 0.000 1.051 586 V CB -0.584 31.342 31.823 0.172 0.000 0.658 586 V HN 0.382 nan 8.190 nan 0.000 0.455 587 L N -0.554 120.569 121.223 -0.166 0.000 2.072 587 L HA -0.121 4.219 4.340 0.001 0.000 0.205 587 L C 2.696 179.453 176.870 -0.189 0.000 1.079 587 L CA 1.669 56.226 54.840 -0.472 0.000 0.752 587 L CB -0.568 40.902 42.059 -0.981 0.000 0.906 587 L HN 0.237 nan 8.230 nan 0.000 0.436 588 R N -0.059 120.455 120.500 0.023 0.000 2.092 588 R HA -0.118 4.223 4.340 0.001 0.000 0.231 588 R C 2.096 178.487 176.300 0.151 0.000 1.119 588 R CA 1.214 57.446 56.100 0.221 0.000 0.970 588 R CB -0.035 30.380 30.300 0.191 0.000 0.864 588 R HN 0.137 nan 8.270 nan 0.000 0.440 589 V N 1.189 121.076 119.914 -0.045 0.000 2.302 589 V HA -0.237 3.883 4.120 0.001 0.000 0.243 589 V C 2.500 178.620 176.094 0.044 0.000 1.036 589 V CA 1.751 64.019 62.300 -0.053 0.000 1.020 589 V CB -0.491 31.249 31.823 -0.139 0.000 0.657 589 V HN 0.437 nan 8.190 nan 0.000 0.453 590 M N -0.348 119.290 119.600 0.063 0.000 2.143 590 M HA -0.259 4.222 4.480 0.001 0.000 0.258 590 M C 2.122 178.559 176.300 0.229 0.000 1.071 590 M CA 2.275 57.648 55.300 0.122 0.000 1.088 590 M CB -0.723 31.920 32.600 0.071 0.000 1.360 590 M HN 0.423 nan 8.290 nan 0.000 0.404 591 F N 1.433 121.474 119.950 0.152 0.000 2.163 591 F HA -0.117 4.411 4.527 0.001 0.000 0.297 591 F C 1.902 177.809 175.800 0.179 0.000 1.094 591 F CA 1.734 59.898 58.000 0.272 0.000 1.290 591 F CB -0.404 38.870 39.000 0.457 0.000 1.017 591 F HN 0.278 nan 8.300 nan 0.000 0.483 592 E N -0.495 119.741 120.200 0.060 0.000 2.409 592 E HA -0.101 4.250 4.350 0.001 0.000 0.198 592 E C 2.072 178.574 176.600 -0.163 0.000 1.024 592 E CA 0.797 57.144 56.400 -0.089 0.000 0.861 592 E CB 0.012 29.724 29.700 0.021 0.000 0.788 592 E HN 0.323 nan 8.360 nan 0.000 0.521 593 V N -1.088 118.727 119.914 -0.165 0.000 2.949 593 V HA -0.039 4.081 4.120 0.001 0.000 0.245 593 V C 0.615 176.401 176.094 -0.513 0.000 1.086 593 V CA 0.789 62.877 62.300 -0.352 0.000 1.097 593 V CB 0.026 31.614 31.823 -0.391 0.000 0.762 593 V HN 0.357 nan 8.190 nan 0.000 0.470 594 W N 0.584 121.819 121.300 -0.107 0.000 1.894 594 W HA 0.312 4.973 4.660 0.002 0.000 0.342 594 W C 1.722 178.130 176.519 -0.184 0.000 0.861 594 W CA -0.697 56.592 57.345 -0.093 0.000 2.584 594 W CB 0.406 29.832 29.460 -0.056 0.000 1.373 594 W HN 0.071 nan 8.180 nan 0.000 0.599 595 R N -0.481 119.900 120.500 -0.199 0.000 2.316 595 R HA 0.067 4.408 4.340 0.001 0.000 0.202 595 R C 0.617 176.815 176.300 -0.170 0.000 1.029 595 R CA 0.850 56.675 56.100 -0.458 0.000 1.018 595 R CB -0.117 29.628 30.300 -0.925 0.000 0.888 595 R HN 0.089 nan 8.270 nan 0.000 0.471 596 N N 0.135 118.818 118.700 -0.028 0.000 2.205 596 N HA -0.037 4.704 4.740 0.001 0.000 0.201 596 N C -0.574 174.975 175.510 0.065 0.000 1.128 596 N CA 0.222 53.269 53.050 -0.006 0.000 0.867 596 N CB 0.488 38.971 38.487 -0.007 0.000 0.996 596 N HN 0.225 nan 8.380 nan 0.000 0.503 597 H N 0.706 119.780 119.070 0.006 0.000 2.379 597 H HA 0.357 4.913 4.556 0.001 0.000 0.229 597 H C -1.989 173.260 175.328 -0.133 0.000 1.423 597 H CA -2.375 53.657 56.048 -0.026 0.000 1.375 597 H CB 0.856 30.657 29.762 0.065 0.000 1.592 597 H HN -0.116 nan 8.280 nan 0.000 0.507 598 P HA -0.205 nan 4.420 nan 0.000 0.217 598 P C 1.656 178.837 177.300 -0.198 0.000 1.148 598 P CA 1.297 64.128 63.100 -0.449 0.000 0.834 598 P CB 0.410 31.663 31.700 -0.745 0.000 0.783 599 Q N -1.351 118.396 119.800 -0.087 0.000 2.123 599 Q HA -0.136 4.205 4.340 0.001 0.000 0.199 599 Q C 2.023 177.817 176.000 -0.343 0.000 0.966 599 Q CA 1.136 56.904 55.803 -0.059 0.000 0.845 599 Q CB -0.363 28.477 28.738 0.170 0.000 0.907 599 Q HN 0.099 nan 8.270 nan 0.000 0.439 600 M N 0.439 119.560 119.600 -0.798 0.000 2.132 600 M HA -0.104 4.377 4.480 0.001 0.000 0.263 600 M C 1.613 177.540 176.300 -0.623 0.000 1.065 600 M CA 1.482 56.141 55.300 -1.068 0.000 1.122 600 M CB -0.192 31.415 32.600 -1.655 0.000 1.365 600 M HN 0.252 nan 8.290 nan 0.000 0.411 601 I N 0.172 120.551 120.570 -0.319 0.000 2.163 601 I HA -0.305 3.866 4.170 0.001 0.000 0.243 601 I C 2.497 178.598 176.117 -0.027 0.000 1.085 601 I CA 1.300 62.582 61.300 -0.030 0.000 1.347 601 I CB -1.081 37.075 38.000 0.260 0.000 1.044 601 I HN 0.434 nan 8.210 nan 0.000 0.408 602 A N 1.041 123.851 122.820 -0.016 0.000 1.865 602 A HA -0.217 4.104 4.320 0.001 0.000 0.217 602 A C 2.437 179.965 177.584 -0.093 0.000 1.191 602 A CA 2.687 54.729 52.037 0.009 0.000 0.623 602 A CB -1.283 17.742 19.000 0.043 0.000 0.826 602 A HN 0.386 nan 8.150 nan 0.000 0.444 603 V N -1.994 117.782 119.914 -0.229 0.000 2.490 603 V HA -0.175 3.945 4.120 0.001 0.000 0.250 603 V C 2.278 178.302 176.094 -0.117 0.000 1.061 603 V CA 1.929 64.100 62.300 -0.216 0.000 1.064 603 V CB -0.971 30.547 31.823 -0.508 0.000 0.670 603 V HN 0.452 nan 8.190 nan 0.000 0.461 604 L N -0.171 120.946 121.223 -0.177 0.000 2.044 604 L HA -0.056 4.285 4.340 0.001 0.000 0.205 604 L C 2.717 179.502 176.870 -0.140 0.000 1.075 604 L CA 1.313 56.088 54.840 -0.109 0.000 0.747 604 L CB -0.529 41.444 42.059 -0.143 0.000 0.903 604 L HN 0.226 nan 8.230 nan 0.000 0.435 605 V N 0.070 119.898 119.914 -0.144 0.000 2.343 605 V HA -0.339 3.782 4.120 0.001 0.000 0.247 605 V C 2.339 178.354 176.094 -0.131 0.000 1.051 605 V CA 2.196 64.400 62.300 -0.161 0.000 1.036 605 V CB -0.600 31.152 31.823 -0.119 0.000 0.654 605 V HN 0.600 nan 8.190 nan 0.000 0.451 606 D N 0.090 120.422 120.400 -0.114 0.000 2.144 606 D HA -0.238 4.403 4.640 0.001 0.000 0.199 606 D C 2.144 178.342 176.300 -0.171 0.000 0.984 606 D CA 1.478 55.409 54.000 -0.116 0.000 0.834 606 D CB 0.188 40.929 40.800 -0.099 0.000 0.955 606 D HN 0.313 nan 8.370 nan 0.000 0.465 607 K N 0.297 120.550 120.400 -0.246 0.000 2.057 607 K HA -0.025 4.295 4.320 0.001 0.000 0.206 607 K C 2.412 178.881 176.600 -0.218 0.000 1.050 607 K CA 1.005 57.094 56.287 -0.330 0.000 0.935 607 K CB -0.328 31.864 32.500 -0.514 0.000 0.715 607 K HN 0.164 nan 8.250 nan 0.000 0.439 608 M N -0.139 119.344 119.600 -0.195 0.000 2.108 608 M HA -0.150 4.331 4.480 0.001 0.000 0.261 608 M C 2.038 178.271 176.300 -0.111 0.000 1.066 608 M CA 1.599 56.793 55.300 -0.177 0.000 1.107 608 M CB -0.391 32.090 32.600 -0.198 0.000 1.356 608 M HN 0.096 nan 8.290 nan 0.000 0.406 609 I N -0.201 120.312 120.570 -0.096 0.000 2.142 609 I HA -0.293 3.877 4.170 0.001 0.000 0.240 609 I C 2.485 178.591 176.117 -0.019 0.000 1.078 609 I CA 1.479 62.754 61.300 -0.043 0.000 1.343 609 I CB -0.477 37.503 38.000 -0.033 0.000 1.046 609 I HN 0.268 nan 8.210 nan 0.000 0.405 610 R N 0.248 120.720 120.500 -0.046 0.000 2.159 610 R HA -0.128 4.213 4.340 0.001 0.000 0.237 610 R C 1.743 178.020 176.300 -0.039 0.000 1.131 610 R CA 1.834 57.911 56.100 -0.038 0.000 0.982 610 R CB -0.438 29.813 30.300 -0.081 0.000 0.868 610 R HN 0.512 nan 8.270 nan 0.000 0.453 611 T N -3.060 111.473 114.554 -0.034 0.000 3.145 611 T HA 0.156 4.507 4.350 0.001 0.000 0.255 611 T C 0.071 174.851 174.700 0.133 0.000 1.039 611 T CA -0.384 61.737 62.100 0.035 0.000 0.928 611 T CB 0.486 69.387 68.868 0.055 0.000 1.029 611 T HN 0.033 nan 8.240 nan 0.000 0.554 612 Q N -0.238 119.590 119.800 0.048 0.000 2.489 612 Q HA -0.142 4.199 4.340 0.001 0.000 0.259 612 Q C 0.846 176.856 176.000 0.017 0.000 0.934 612 Q CA 0.634 56.462 55.803 0.042 0.000 1.131 612 Q CB -2.314 26.465 28.738 0.069 0.000 1.472 612 Q HN 0.509 nan 8.270 nan 0.000 0.560 613 I N -1.323 119.232 120.570 -0.025 0.000 2.353 613 I HA -0.017 4.154 4.170 0.001 0.000 0.248 613 I C 1.366 177.470 176.117 -0.020 0.000 1.119 613 I CA 1.611 62.874 61.300 -0.061 0.000 1.417 613 I CB -0.711 37.180 38.000 -0.182 0.000 1.078 613 I HN 0.273 nan 8.210 nan 0.000 0.421 614 V N -1.311 118.580 119.914 -0.038 0.000 3.165 614 V HA 0.676 4.797 4.120 0.001 0.000 0.309 614 V C -1.459 174.622 176.094 -0.021 0.000 1.267 614 V CA -1.081 61.200 62.300 -0.031 0.000 1.067 614 V CB 2.014 33.794 31.823 -0.071 0.000 1.082 614 V HN 0.238 nan 8.190 nan 0.000 0.451 615 D N -1.453 118.937 120.400 -0.016 0.000 2.450 615 D HA 0.502 5.143 4.640 0.001 0.000 0.238 615 D C 0.671 176.965 176.300 -0.011 0.000 1.020 615 D CA -0.202 53.799 54.000 0.002 0.000 1.010 615 D CB 1.352 42.158 40.800 0.009 0.000 1.342 615 D HN 0.523 nan 8.370 nan 0.000 0.530 616 C N -0.092 119.204 119.300 -0.006 0.000 2.425 616 C HA 0.031 4.492 4.460 0.001 0.000 0.277 616 C C 2.769 177.727 174.990 -0.053 0.000 1.280 616 C CA 1.194 60.183 59.018 -0.048 0.000 1.744 616 C CB -1.491 26.195 27.740 -0.090 0.000 1.989 616 C HN 0.792 nan 8.230 nan 0.000 0.491 617 A N 0.649 123.443 122.820 -0.043 0.000 1.902 617 A HA 0.064 4.385 4.320 0.001 0.000 0.217 617 A C 2.377 179.951 177.584 -0.016 0.000 1.181 617 A CA 2.053 54.063 52.037 -0.045 0.000 0.623 617 A CB -0.864 18.112 19.000 -0.041 0.000 0.818 617 A HN 0.570 nan 8.150 nan 0.000 0.443 618 A N -0.675 122.142 122.820 -0.005 0.000 1.930 618 A HA 0.040 4.361 4.320 0.001 0.000 0.217 618 A C 2.210 179.836 177.584 0.070 0.000 1.175 618 A CA 1.678 53.726 52.037 0.018 0.000 0.627 618 A CB -0.811 18.185 19.000 -0.006 0.000 0.815 618 A HN 0.364 nan 8.150 nan 0.000 0.443 619 V N -0.174 119.769 119.914 0.049 0.000 2.358 619 V HA -0.227 3.893 4.120 0.001 0.000 0.246 619 V C 3.046 179.250 176.094 0.183 0.000 1.047 619 V CA 1.844 64.225 62.300 0.136 0.000 1.035 619 V CB -1.140 30.715 31.823 0.053 0.000 0.658 619 V HN 0.605 nan 8.190 nan 0.000 0.452 620 A N 0.214 123.076 122.820 0.070 0.000 1.933 620 A HA -0.225 4.096 4.320 0.001 0.000 0.218 620 A C 2.094 179.770 177.584 0.154 0.000 1.175 620 A CA 1.978 54.056 52.037 0.068 0.000 0.628 620 A CB -0.600 18.379 19.000 -0.036 0.000 0.814 620 A HN 0.591 nan 8.150 nan 0.000 0.444 621 N N -1.479 117.285 118.700 0.107 0.000 2.142 621 N HA -0.171 4.570 4.740 0.001 0.000 0.186 621 N C 1.493 177.098 175.510 0.159 0.000 1.023 621 N CA 1.492 54.606 53.050 0.106 0.000 0.852 621 N CB -0.495 38.025 38.487 0.055 0.000 0.998 621 N HN 0.791 nan 8.380 nan 0.000 0.424 622 W N 2.350 123.633 121.300 -0.029 0.000 2.338 622 W HA -0.015 4.645 4.660 0.001 0.000 0.304 622 W C 1.893 178.331 176.519 -0.134 0.000 1.212 622 W CA 0.930 58.232 57.345 -0.073 0.000 1.264 622 W CB -0.539 28.873 29.460 -0.080 0.000 1.142 622 W HN -0.059 nan 8.180 nan 0.000 0.512 623 I N -0.326 120.078 120.570 -0.277 0.000 2.361 623 I HA -0.285 3.886 4.170 0.001 0.000 0.251 623 I C 1.530 177.281 176.117 -0.611 0.000 1.133 623 I CA 1.169 62.064 61.300 -0.675 0.000 1.413 623 I CB -0.478 37.154 38.000 -0.614 0.000 1.073 623 I HN -0.129 nan 8.210 nan 0.000 0.424 624 F N 0.515 120.298 119.950 -0.278 0.000 2.727 624 F HA 0.095 4.622 4.527 0.001 0.000 0.302 624 F C 1.704 177.339 175.800 -0.274 0.000 1.097 624 F CA -0.380 57.467 58.000 -0.256 0.000 1.330 624 F CB -0.382 38.492 39.000 -0.209 0.000 1.084 624 F HN -0.060 nan 8.300 nan 0.000 0.578 625 S N -0.248 115.363 115.700 -0.147 0.000 2.576 625 S HA 0.005 4.475 4.470 0.001 0.000 0.272 625 S C 1.574 176.071 174.600 -0.173 0.000 1.352 625 S CA -0.035 58.091 58.200 -0.123 0.000 1.021 625 S CB 1.132 64.276 63.200 -0.094 0.000 0.887 625 S HN 0.308 nan 8.310 nan 0.000 0.542 626 S N 0.632 116.274 115.700 -0.097 0.000 2.447 626 S HA -0.103 4.368 4.470 0.001 0.000 0.233 626 S C 1.244 175.799 174.600 -0.075 0.000 1.006 626 S CA 0.914 59.063 58.200 -0.086 0.000 0.957 626 S CB -0.656 62.522 63.200 -0.037 0.000 0.773 626 S HN 0.781 nan 8.310 nan 0.000 0.507 627 E N 1.113 121.265 120.200 -0.079 0.000 2.153 627 E HA 0.070 4.420 4.350 0.001 0.000 0.194 627 E C 1.169 177.679 176.600 -0.149 0.000 0.988 627 E CA 0.756 57.131 56.400 -0.042 0.000 0.811 627 E CB -0.290 29.412 29.700 0.003 0.000 0.746 627 E HN 0.423 nan 8.360 nan 0.000 0.466 628 L N -0.189 120.815 121.223 -0.365 0.000 2.700 628 L HA 0.198 4.539 4.340 0.001 0.000 0.234 628 L C 1.699 178.462 176.870 -0.179 0.000 1.156 628 L CA 0.355 54.937 54.840 -0.430 0.000 0.946 628 L CB -0.067 41.505 42.059 -0.811 0.000 1.216 628 L HN -0.018 nan 8.230 nan 0.000 0.493 629 S N -0.014 115.612 115.700 -0.124 0.000 2.400 629 S HA -0.179 4.292 4.470 0.001 0.000 0.232 629 S C 2.193 176.847 174.600 0.090 0.000 1.025 629 S CA 1.465 59.629 58.200 -0.061 0.000 0.993 629 S CB 0.019 63.171 63.200 -0.080 0.000 0.808 629 S HN 0.476 nan 8.310 nan 0.000 0.478 630 R N 0.179 120.737 120.500 0.098 0.000 2.153 630 R HA 0.086 4.427 4.340 0.001 0.000 0.218 630 R C 0.647 177.063 176.300 0.193 0.000 1.072 630 R CA 1.196 57.386 56.100 0.151 0.000 0.990 630 R CB -0.069 30.318 30.300 0.144 0.000 0.889 630 R HN 0.392 nan 8.270 nan 0.000 0.452 631 D N -0.428 120.077 120.400 0.174 0.000 2.402 631 D HA -0.006 4.635 4.640 0.001 0.000 0.216 631 D C 0.717 177.023 176.300 0.010 0.000 1.128 631 D CA -0.049 54.054 54.000 0.172 0.000 0.833 631 D CB 0.174 41.168 40.800 0.322 0.000 0.971 631 D HN 0.038 nan 8.370 nan 0.000 0.503 632 F N 2.160 122.047 119.950 -0.105 0.000 2.269 632 F HA -0.173 4.355 4.527 0.001 0.000 0.301 632 F C 2.254 178.077 175.800 0.039 0.000 1.082 632 F CA 1.413 59.310 58.000 -0.171 0.000 1.360 632 F CB -0.087 38.910 39.000 -0.006 0.000 1.041 632 F HN -0.057 nan 8.300 nan 0.000 0.512 633 T N -2.215 112.434 114.554 0.158 0.000 3.081 633 T HA 0.168 4.519 4.350 0.001 0.000 0.250 633 T C 0.947 175.727 174.700 0.133 0.000 1.100 633 T CA -0.319 61.858 62.100 0.128 0.000 1.038 633 T CB -0.344 68.608 68.868 0.140 0.000 0.962 633 T HN 0.047 nan 8.240 nan 0.000 0.516 634 R N 0.543 121.087 120.500 0.073 0.000 2.490 634 R HA 0.378 4.719 4.340 0.001 0.000 0.280 634 R C 0.751 177.088 176.300 0.061 0.000 1.077 634 R CA -0.653 55.515 56.100 0.114 0.000 1.065 634 R CB 0.595 31.044 30.300 0.249 0.000 1.003 634 R HN 0.037 nan 8.270 nan 0.000 0.470 635 L N 2.894 124.233 121.223 0.193 0.000 2.081 635 L HA -0.242 4.099 4.340 0.001 0.000 0.212 635 L C 2.034 178.994 176.870 0.150 0.000 1.080 635 L CA 1.765 56.737 54.840 0.220 0.000 0.754 635 L CB -0.670 41.523 42.059 0.222 0.000 0.893 635 L HN 0.721 nan 8.230 nan 0.000 0.433 636 F N -2.405 117.580 119.950 0.058 0.000 2.216 636 F HA -0.110 4.417 4.527 0.001 0.000 0.300 636 F C 2.089 177.841 175.800 -0.081 0.000 1.085 636 F CA 0.959 58.975 58.000 0.026 0.000 1.326 636 F CB -1.533 37.496 39.000 0.048 0.000 1.027 636 F HN -0.143 nan 8.300 nan 0.000 0.497 637 V N 0.285 119.501 119.914 -1.164 0.000 2.295 637 V HA -0.290 3.831 4.120 0.001 0.000 0.246 637 V C 2.112 177.632 176.094 -0.956 0.000 1.049 637 V CA 2.192 63.737 62.300 -1.258 0.000 1.024 637 V CB -1.014 29.844 31.823 -1.607 0.000 0.648 637 V HN 0.544 nan 8.190 nan 0.000 0.447 638 W N 0.181 121.289 121.300 -0.320 0.000 2.467 638 W HA -0.016 4.645 4.660 0.001 0.000 0.275 638 W C 2.423 178.962 176.519 0.034 0.000 1.239 638 W CA 0.703 57.954 57.345 -0.158 0.000 1.266 638 W CB -0.274 29.141 29.460 -0.074 0.000 1.112 638 W HN 0.254 nan 8.180 nan 0.000 0.576 639 E N 0.620 120.924 120.200 0.174 0.000 2.072 639 E HA -0.178 4.173 4.350 0.001 0.000 0.191 639 E C 1.999 178.675 176.600 0.126 0.000 0.985 639 E CA 1.315 57.835 56.400 0.200 0.000 0.801 639 E CB -0.419 29.392 29.700 0.184 0.000 0.750 639 E HN 0.327 nan 8.360 nan 0.000 0.452 640 I N 0.868 121.462 120.570 0.041 0.000 2.179 640 I HA -0.254 3.917 4.170 0.001 0.000 0.242 640 I C 2.509 178.615 176.117 -0.019 0.000 1.088 640 I CA 0.546 61.868 61.300 0.037 0.000 1.357 640 I CB -0.168 37.879 38.000 0.078 0.000 1.051 640 I HN 0.125 nan 8.210 nan 0.000 0.409 641 L N 0.568 121.712 121.223 -0.132 0.000 1.989 641 L HA -0.272 4.069 4.340 0.001 0.000 0.211 641 L C 2.691 179.469 176.870 -0.152 0.000 1.071 641 L CA 2.081 56.805 54.840 -0.192 0.000 0.749 641 L CB -0.996 40.872 42.059 -0.318 0.000 0.890 641 L HN 0.252 nan 8.230 nan 0.000 0.431 642 H N -1.495 117.635 119.070 0.099 0.000 2.421 642 H HA -0.102 4.455 4.556 0.001 0.000 0.298 642 H C 2.492 177.876 175.328 0.094 0.000 1.087 642 H CA 1.453 57.589 56.048 0.146 0.000 1.330 642 H CB -0.297 29.577 29.762 0.188 0.000 1.388 642 H HN 0.461 nan 8.280 nan 0.000 0.526 643 S N -0.084 115.706 115.700 0.149 0.000 2.383 643 S HA -0.113 4.357 4.470 0.001 0.000 0.227 643 S C 2.090 176.703 174.600 0.022 0.000 1.026 643 S CA 1.518 59.772 58.200 0.089 0.000 0.981 643 S CB -0.141 63.100 63.200 0.069 0.000 0.818 643 S HN 0.424 nan 8.310 nan 0.000 0.472 644 T N 2.441 116.985 114.554 -0.017 0.000 2.737 644 T HA 0.054 4.404 4.350 0.001 0.000 0.265 644 T C 1.712 176.330 174.700 -0.137 0.000 1.038 644 T CA 1.514 63.570 62.100 -0.074 0.000 1.144 644 T CB -0.369 68.451 68.868 -0.080 0.000 0.866 644 T HN 0.411 nan 8.240 nan 0.000 0.434 645 I N 0.683 121.159 120.570 -0.157 0.000 2.226 645 I HA -0.173 3.998 4.170 0.001 0.000 0.245 645 I C 2.841 178.869 176.117 -0.149 0.000 1.100 645 I CA 1.248 62.384 61.300 -0.273 0.000 1.374 645 I CB -0.353 37.409 38.000 -0.397 0.000 1.057 645 I HN 0.127 nan 8.210 nan 0.000 0.413 646 R N 0.919 121.420 120.500 0.000 0.000 2.091 646 R HA -0.173 4.168 4.340 0.001 0.000 0.238 646 R C 2.326 178.603 176.300 -0.038 0.000 1.136 646 R CA 1.380 57.510 56.100 0.050 0.000 0.959 646 R CB -0.292 30.070 30.300 0.103 0.000 0.856 646 R HN 0.369 nan 8.270 nan 0.000 0.437 647 K N 0.114 120.460 120.400 -0.089 0.000 2.057 647 K HA -0.169 4.152 4.320 0.001 0.000 0.207 647 K C 2.062 178.408 176.600 -0.423 0.000 1.049 647 K CA 1.516 57.710 56.287 -0.154 0.000 0.931 647 K CB -0.156 32.276 32.500 -0.114 0.000 0.714 647 K HN 0.019 nan 8.250 nan 0.000 0.440 648 M N 1.699 121.014 119.600 -0.476 0.000 2.159 648 M HA -0.149 4.332 4.480 0.001 0.000 0.263 648 M C 1.110 177.241 176.300 -0.282 0.000 1.063 648 M CA 1.739 56.678 55.300 -0.600 0.000 1.110 648 M CB -0.358 32.030 32.600 -0.353 0.000 1.374 648 M HN 0.119 nan 8.290 nan 0.000 0.411 649 N N -0.659 117.966 118.700 -0.125 0.000 2.364 649 N HA -0.131 4.609 4.740 0.001 0.000 0.183 649 N C 1.139 176.663 175.510 0.024 0.000 1.022 649 N CA 0.891 53.949 53.050 0.013 0.000 0.883 649 N CB -0.051 38.481 38.487 0.074 0.000 0.965 649 N HN 0.465 nan 8.380 nan 0.000 0.438 650 K N 0.149 120.544 120.400 -0.009 0.000 2.379 650 K HA 0.061 4.382 4.320 0.001 0.000 0.194 650 K C -0.194 176.492 176.600 0.144 0.000 1.031 650 K CA 0.059 56.382 56.287 0.059 0.000 1.037 650 K CB 0.169 32.704 32.500 0.059 0.000 0.824 650 K HN 0.364 nan 8.250 nan 0.000 0.516 651 H N 0.949 120.035 119.070 0.026 0.000 3.046 651 H HA 0.015 4.572 4.556 0.001 0.000 0.303 651 H C -0.280 175.065 175.328 0.029 0.000 1.002 651 H CA -0.620 55.440 56.048 0.021 0.000 1.460 651 H CB 0.803 30.575 29.762 0.016 0.000 1.493 651 H HN -0.135 nan 8.280 nan 0.000 0.559 652 V N 5.020 125.011 119.914 0.129 0.000 2.614 652 V HA 0.375 4.495 4.120 0.001 0.000 0.291 652 V C 0.759 176.892 176.094 0.065 0.000 1.049 652 V CA 0.848 63.196 62.300 0.079 0.000 1.038 652 V CB 0.203 32.055 31.823 0.048 0.000 0.980 652 V HN 1.132 nan 8.190 nan 0.000 0.481 703 Q N -0.173 119.691 119.800 0.106 0.000 2.077 703 Q HA -0.203 4.138 4.340 0.001 0.000 0.206 703 Q C 2.264 178.334 176.000 0.117 0.000 0.989 703 Q CA 2.024 57.906 55.803 0.131 0.000 0.853 703 Q CB -0.133 28.678 28.738 0.122 0.000 0.907 703 Q HN 0.704 nan 8.270 nan 0.000 0.418 704 S N 0.528 116.274 115.700 0.076 0.000 2.356 704 S HA -0.241 4.229 4.470 0.001 0.000 0.223 704 S C 1.900 176.520 174.600 0.033 0.000 1.032 704 S CA 1.558 59.785 58.200 0.043 0.000 1.005 704 S CB -0.132 63.087 63.200 0.032 0.000 0.867 704 S HN 0.418 nan 8.310 nan 0.000 0.449 705 E N 0.217 120.445 120.200 0.048 0.000 2.077 705 E HA -0.227 4.124 4.350 0.001 0.000 0.193 705 E C 2.298 178.918 176.600 0.033 0.000 0.989 705 E CA 1.301 57.723 56.400 0.037 0.000 0.800 705 E CB -0.277 29.461 29.700 0.063 0.000 0.746 705 E HN 0.734 nan 8.360 nan 0.000 0.452 706 Q N 0.829 120.679 119.800 0.083 0.000 2.020 706 Q HA -0.243 4.098 4.340 0.001 0.000 0.202 706 Q C 2.210 178.342 176.000 0.221 0.000 0.982 706 Q CA 1.832 57.717 55.803 0.136 0.000 0.838 706 Q CB -0.090 28.784 28.738 0.228 0.000 0.899 706 Q HN 0.062 nan 8.270 nan 0.000 0.423 707 K N 0.160 120.648 120.400 0.146 0.000 2.063 707 K HA -0.183 4.137 4.320 0.001 0.000 0.208 707 K C 1.625 178.158 176.600 -0.112 0.000 1.048 707 K CA 1.905 58.093 56.287 -0.163 0.000 0.928 707 K CB -0.124 32.157 32.500 -0.366 0.000 0.713 707 K HN 0.357 nan 8.250 nan 0.000 0.442 708 N N 0.383 119.047 118.700 -0.061 0.000 2.244 708 N HA -0.162 4.579 4.740 0.001 0.000 0.183 708 N C 1.741 177.203 175.510 -0.080 0.000 1.016 708 N CA 0.690 53.703 53.050 -0.062 0.000 0.866 708 N CB -0.065 38.395 38.487 -0.046 0.000 0.980 708 N HN 0.085 nan 8.380 nan 0.000 0.430 709 L N 0.480 121.638 121.223 -0.109 0.000 2.012 709 L HA -0.102 4.239 4.340 0.001 0.000 0.210 709 L C 1.551 178.227 176.870 -0.324 0.000 1.073 709 L CA 1.659 56.355 54.840 -0.240 0.000 0.748 709 L CB -0.623 41.224 42.059 -0.352 0.000 0.891 709 L HN 0.073 nan 8.230 nan 0.000 0.431 710 F N -0.990 118.851 119.950 -0.183 0.000 2.186 710 F HA -0.182 4.346 4.527 0.001 0.000 0.299 710 F C 2.251 177.868 175.800 -0.306 0.000 1.090 710 F CA 1.205 59.015 58.000 -0.317 0.000 1.307 710 F CB -0.440 38.510 39.000 -0.083 0.000 1.019 710 F HN 0.016 nan 8.300 nan 0.000 0.489 711 L N -0.623 120.646 121.223 0.076 0.000 2.012 711 L HA -0.240 4.101 4.340 0.001 0.000 0.210 711 L C 2.393 179.273 176.870 0.017 0.000 1.073 711 L CA 0.976 55.887 54.840 0.118 0.000 0.748 711 L CB -0.942 41.136 42.059 0.031 0.000 0.891 711 L HN -0.018 nan 8.230 nan 0.000 0.431 712 V N 0.272 120.136 119.914 -0.084 0.000 2.287 712 V HA -0.319 3.802 4.120 0.001 0.000 0.248 712 V C 2.339 178.292 176.094 -0.234 0.000 1.053 712 V CA 1.996 64.210 62.300 -0.143 0.000 1.027 712 V CB -0.396 31.335 31.823 -0.153 0.000 0.646 712 V HN 0.321 nan 8.190 nan 0.000 0.447 713 I N -0.956 119.447 120.570 -0.279 0.000 2.163 713 I HA -0.250 3.921 4.170 0.001 0.000 0.243 713 I C 2.373 178.417 176.117 -0.121 0.000 1.085 713 I CA 1.761 62.865 61.300 -0.326 0.000 1.347 713 I CB -0.476 37.355 38.000 -0.282 0.000 1.044 713 I HN 0.208 nan 8.210 nan 0.000 0.408 714 F N 1.067 121.090 119.950 0.122 0.000 2.134 714 F HA -0.222 4.305 4.527 0.001 0.000 0.299 714 F C 2.718 178.537 175.800 0.031 0.000 1.097 714 F CA 1.248 59.367 58.000 0.198 0.000 1.264 714 F CB -1.080 38.053 39.000 0.221 0.000 1.001 714 F HN 0.118 nan 8.300 nan 0.000 0.479 715 Q N -0.101 119.751 119.800 0.087 0.000 2.030 715 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 715 Q C 2.454 178.404 176.000 -0.083 0.000 0.986 715 Q CA 1.342 57.125 55.803 -0.033 0.000 0.843 715 Q CB -0.193 28.502 28.738 -0.072 0.000 0.904 715 Q HN 0.260 nan 8.270 nan 0.000 0.420 716 R N 0.002 120.336 120.500 -0.277 0.000 2.103 716 R HA -0.142 4.199 4.340 0.001 0.000 0.242 716 R C 2.095 178.260 176.300 -0.225 0.000 1.142 716 R CA 1.241 57.055 56.100 -0.475 0.000 0.960 716 R CB -0.924 28.588 30.300 -1.314 0.000 0.858 716 R HN 0.259 nan 8.270 nan 0.000 0.439 717 F N 1.033 120.940 119.950 -0.073 0.000 2.113 717 F HA -0.059 4.468 4.527 0.001 0.000 0.297 717 F C 2.489 178.415 175.800 0.210 0.000 1.103 717 F CA 0.838 58.978 58.000 0.234 0.000 1.248 717 F CB -0.624 38.573 39.000 0.327 0.000 0.999 717 F HN -0.128 nan 8.300 nan 0.000 0.475 718 I N -0.669 120.099 120.570 0.329 0.000 2.208 718 I HA -0.384 3.786 4.170 0.001 0.000 0.245 718 I C 2.595 178.816 176.117 0.173 0.000 1.097 718 I CA 1.552 62.965 61.300 0.189 0.000 1.363 718 I CB -0.448 37.541 38.000 -0.018 0.000 1.051 718 I HN 0.211 nan 8.210 nan 0.000 0.413 719 M N 1.237 120.912 119.600 0.125 0.000 2.077 719 M HA -0.193 4.288 4.480 0.001 0.000 0.261 719 M C 2.454 178.860 176.300 0.177 0.000 1.070 719 M CA 2.041 57.405 55.300 0.106 0.000 1.125 719 M CB -0.149 32.474 32.600 0.039 0.000 1.339 719 M HN 0.271 nan 8.290 nan 0.000 0.409 720 I N -1.418 119.297 120.570 0.241 0.000 2.394 720 I HA -0.225 3.946 4.170 0.001 0.000 0.251 720 I C 1.907 178.314 176.117 0.484 0.000 1.136 720 I CA 1.235 62.739 61.300 0.340 0.000 1.425 720 I CB -0.712 37.538 38.000 0.418 0.000 1.079 720 I HN 0.303 nan 8.210 nan 0.000 0.425 721 L N 1.045 122.563 121.223 0.491 0.000 2.056 721 L HA -0.123 4.217 4.340 0.001 0.000 0.207 721 L C 2.772 179.911 176.870 0.448 0.000 1.078 721 L CA 1.808 56.970 54.840 0.537 0.000 0.749 721 L CB -0.851 41.491 42.059 0.472 0.000 0.901 721 L HN 0.278 nan 8.230 nan 0.000 0.433 722 T N -0.948 113.794 114.554 0.314 0.000 2.708 722 T HA -0.257 4.094 4.350 0.001 0.000 0.266 722 T C 1.741 176.559 174.700 0.195 0.000 1.037 722 T CA 1.642 63.877 62.100 0.226 0.000 1.146 722 T CB -0.156 68.801 68.868 0.148 0.000 0.865 722 T HN 0.403 nan 8.240 nan 0.000 0.435 723 E N 0.217 120.529 120.200 0.187 0.000 2.058 723 E HA -0.291 4.060 4.350 0.001 0.000 0.194 723 E C 2.079 178.760 176.600 0.134 0.000 0.997 723 E CA 1.651 58.127 56.400 0.127 0.000 0.801 723 E CB -0.197 29.564 29.700 0.101 0.000 0.746 723 E HN 0.683 nan 8.360 nan 0.000 0.450 724 H N 0.310 119.461 119.070 0.135 0.000 2.290 724 H HA -0.092 4.465 4.556 0.001 0.000 0.298 724 H C 2.153 177.548 175.328 0.113 0.000 1.087 724 H CA 2.170 58.292 56.048 0.124 0.000 1.291 724 H CB -0.256 29.700 29.762 0.323 0.000 1.369 724 H HN 0.163 nan 8.280 nan 0.000 0.492 725 L N -0.554 120.802 121.223 0.221 0.000 2.083 725 L HA -0.153 4.188 4.340 0.001 0.000 0.209 725 L C 2.488 179.375 176.870 0.029 0.000 1.083 725 L CA 0.908 55.823 54.840 0.126 0.000 0.752 725 L CB -0.280 41.929 42.059 0.249 0.000 0.899 725 L HN 0.236 nan 8.230 nan 0.000 0.433 726 V N -0.361 119.576 119.914 0.038 0.000 2.323 726 V HA -0.220 3.901 4.120 0.001 0.000 0.244 726 V C 2.592 178.667 176.094 -0.032 0.000 1.041 726 V CA 1.599 63.905 62.300 0.010 0.000 1.025 726 V CB -0.558 31.280 31.823 0.025 0.000 0.656 726 V HN 0.424 nan 8.190 nan 0.000 0.451 727 R N -0.618 119.848 120.500 -0.057 0.000 2.152 727 R HA -0.175 4.166 4.340 0.001 0.000 0.232 727 R C 2.086 178.313 176.300 -0.122 0.000 1.117 727 R CA 1.936 57.984 56.100 -0.087 0.000 0.981 727 R CB -0.464 29.774 30.300 -0.102 0.000 0.870 727 R HN 0.537 nan 8.270 nan 0.000 0.451 728 C N -0.070 119.125 119.300 -0.176 0.000 2.468 728 C HA 0.045 4.506 4.460 0.001 0.000 0.277 728 C C 2.316 177.257 174.990 -0.082 0.000 1.400 728 C CA 0.388 59.305 59.018 -0.167 0.000 1.770 728 C CB -0.376 27.219 27.740 -0.241 0.000 1.905 728 C HN 0.616 nan 8.230 nan 0.000 0.519 729 E N 0.358 120.523 120.200 -0.057 0.000 2.250 729 E HA -0.098 4.253 4.350 0.001 0.000 0.192 729 E C 1.713 178.296 176.600 -0.028 0.000 0.986 729 E CA 0.989 57.370 56.400 -0.031 0.000 0.849 729 E CB 0.107 29.797 29.700 -0.017 0.000 0.797 729 E HN 0.504 nan 8.360 nan 0.000 0.482 730 T N 0.557 115.092 114.554 -0.033 0.000 2.978 730 T HA -0.030 4.321 4.350 0.001 0.000 0.262 730 T C 0.495 175.178 174.700 -0.028 0.000 1.063 730 T CA 1.240 63.325 62.100 -0.026 0.000 1.140 730 T CB -0.036 68.817 68.868 -0.024 0.000 0.886 730 T HN 0.147 nan 8.240 nan 0.000 0.470 731 D N 0.306 120.683 120.400 -0.039 0.000 2.369 731 D HA 0.330 4.971 4.640 0.001 0.000 0.211 731 D C 1.119 177.399 176.300 -0.032 0.000 1.077 731 D CA 0.083 54.061 54.000 -0.035 0.000 0.842 731 D CB 0.058 40.831 40.800 -0.044 0.000 0.947 731 D HN 0.315 nan 8.370 nan 0.000 0.509 732 G N 1.455 110.236 108.800 -0.033 0.000 2.393 732 G HA2 -0.279 3.682 3.960 0.001 0.000 0.299 732 G HA3 -0.279 3.682 3.960 0.001 0.000 0.299 732 G C 0.373 175.257 174.900 -0.027 0.000 0.990 732 G CA 0.771 45.856 45.100 -0.025 0.000 1.118 732 G HN 0.297 nan 8.290 nan 0.000 0.513 733 T N -0.943 113.585 114.554 -0.043 0.000 2.922 733 T HA 0.658 5.009 4.350 0.001 0.000 0.281 733 T C 0.666 175.345 174.700 -0.034 0.000 1.005 733 T CA 0.029 62.106 62.100 -0.038 0.000 0.982 733 T CB 1.685 70.519 68.868 -0.057 0.000 1.158 733 T HN 0.618 nan 8.240 nan 0.000 0.566 734 S N 0.118 115.814 115.700 -0.006 0.000 2.510 734 S HA 0.174 4.645 4.470 0.001 0.000 0.279 734 S C 1.142 175.757 174.600 0.025 0.000 1.284 734 S CA -0.721 57.490 58.200 0.018 0.000 1.059 734 S CB -0.037 63.194 63.200 0.051 0.000 0.901 734 S HN 0.469 nan 8.310 nan 0.000 0.491 735 V N 6.240 126.152 119.914 -0.004 0.000 2.302 735 V HA 0.009 4.130 4.120 0.001 0.000 0.243 735 V C 1.310 177.389 176.094 -0.025 0.000 1.036 735 V CA 1.173 63.445 62.300 -0.047 0.000 1.020 735 V CB -0.433 31.292 31.823 -0.164 0.000 0.657 735 V HN 0.788 nan 8.190 nan 0.000 0.453 736 L N 2.903 124.119 121.223 -0.011 0.000 2.416 736 L HA 0.131 4.472 4.340 0.001 0.000 0.243 736 L C 0.725 177.712 176.870 0.196 0.000 1.373 736 L CA -0.160 54.751 54.840 0.118 0.000 1.227 736 L CB -1.148 40.962 42.059 0.086 0.000 1.428 736 L HN 0.461 nan 8.230 nan 0.000 0.425 737 T N -3.189 111.538 114.554 0.289 0.000 2.902 737 T HA 0.326 4.676 4.350 0.001 0.000 0.280 737 T C -1.346 173.510 174.700 0.259 0.000 0.992 737 T CA -1.918 60.344 62.100 0.270 0.000 1.015 737 T CB 1.643 70.715 68.868 0.340 0.000 1.044 737 T HN 0.074 nan 8.240 nan 0.000 0.520 738 P HA -0.140 nan 4.420 nan 0.000 0.216 738 P C 1.150 178.549 177.300 0.165 0.000 1.150 738 P CA 1.171 64.364 63.100 0.154 0.000 0.843 738 P CB -0.129 31.657 31.700 0.144 0.000 0.787 739 W N 0.141 121.495 121.300 0.090 0.000 2.358 739 W HA -0.225 4.435 4.660 0.001 0.000 0.303 739 W C 2.606 179.149 176.519 0.039 0.000 1.208 739 W CA 1.326 58.725 57.345 0.090 0.000 1.274 739 W CB -1.108 28.417 29.460 0.109 0.000 1.138 739 W HN -0.115 nan 8.180 nan 0.000 0.515 740 Y N 1.567 121.933 120.300 0.110 0.000 2.200 740 Y HA -0.202 4.349 4.550 0.001 0.000 0.290 740 Y C 2.602 178.394 175.900 -0.180 0.000 1.137 740 Y CA 2.667 60.694 58.100 -0.122 0.000 1.163 740 Y CB -0.855 37.565 38.460 -0.068 0.000 0.988 740 Y HN -0.060 nan 8.280 nan 0.000 0.518 741 K N 0.155 120.467 120.400 -0.147 0.000 2.044 741 K HA -0.299 4.021 4.320 0.001 0.000 0.210 741 K C 2.056 178.442 176.600 -0.357 0.000 1.049 741 K CA 1.946 58.098 56.287 -0.226 0.000 0.927 741 K CB -0.372 32.091 32.500 -0.062 0.000 0.713 741 K HN 0.407 nan 8.250 nan 0.000 0.443 742 N N 0.206 118.697 118.700 -0.349 0.000 2.080 742 N HA -0.188 4.553 4.740 0.001 0.000 0.189 742 N C 1.898 177.064 175.510 -0.573 0.000 1.036 742 N CA 1.747 54.540 53.050 -0.429 0.000 0.846 742 N CB -0.643 37.621 38.487 -0.371 0.000 1.015 742 N HN 0.307 nan 8.380 nan 0.000 0.423 743 C N -0.356 118.547 119.300 -0.661 0.000 2.393 743 C HA -0.091 4.370 4.460 0.001 0.000 0.276 743 C C 2.658 177.391 174.990 -0.429 0.000 1.215 743 C CA 0.897 59.612 59.018 -0.504 0.000 1.743 743 C CB -1.466 25.844 27.740 -0.717 0.000 2.044 743 C HN 0.655 nan 8.230 nan 0.000 0.464 744 I N 0.816 121.025 120.570 -0.603 0.000 2.361 744 I HA -0.136 4.035 4.170 0.001 0.000 0.251 744 I C 2.300 178.175 176.117 -0.403 0.000 1.133 744 I CA 1.808 62.800 61.300 -0.513 0.000 1.413 744 I CB -0.555 36.986 38.000 -0.765 0.000 1.073 744 I HN 0.442 nan 8.210 nan 0.000 0.424 745 E N -0.559 119.388 120.200 -0.422 0.000 2.230 745 E HA -0.085 4.266 4.350 0.001 0.000 0.192 745 E C 2.004 178.377 176.600 -0.380 0.000 0.987 745 E CA 0.169 56.369 56.400 -0.334 0.000 0.841 745 E CB 0.069 29.591 29.700 -0.296 0.000 0.783 745 E HN 0.282 nan 8.360 nan 0.000 0.481 746 R N 0.382 120.553 120.500 -0.548 0.000 2.148 746 R HA -0.059 4.282 4.340 0.001 0.000 0.223 746 R C 2.231 178.190 176.300 -0.568 0.000 1.088 746 R CA 0.458 56.158 56.100 -0.666 0.000 0.985 746 R CB -0.511 29.033 30.300 -1.260 0.000 0.880 746 R HN 0.197 nan 8.270 nan 0.000 0.451 747 L N 1.426 122.170 121.223 -0.799 0.000 2.044 747 L HA -0.085 4.256 4.340 0.001 0.000 0.205 747 L C 2.453 179.219 176.870 -0.172 0.000 1.075 747 L CA 1.790 56.115 54.840 -0.860 0.000 0.747 747 L CB -0.788 40.845 42.059 -0.710 0.000 0.903 747 L HN 0.155 nan 8.230 nan 0.000 0.435 748 Q N -0.620 119.120 119.800 -0.100 0.000 2.112 748 Q HA -0.330 4.011 4.340 0.001 0.000 0.206 748 Q C 2.294 178.344 176.000 0.084 0.000 0.987 748 Q CA 2.357 58.196 55.803 0.061 0.000 0.858 748 Q CB -0.329 28.380 28.738 -0.050 0.000 0.905 748 Q HN 0.758 nan 8.270 nan 0.000 0.420 749 Q N -0.304 119.478 119.800 -0.030 0.000 2.170 749 Q HA -0.171 4.170 4.340 0.001 0.000 0.203 749 Q C 2.002 178.076 176.000 0.123 0.000 0.976 749 Q CA 1.305 57.108 55.803 0.000 0.000 0.858 749 Q CB 0.011 28.711 28.738 -0.064 0.000 0.907 749 Q HN 0.474 nan 8.270 nan 0.000 0.433 750 I N 0.224 120.904 120.570 0.182 0.000 2.179 750 I HA -0.248 3.923 4.170 0.001 0.000 0.242 750 I C 1.954 178.216 176.117 0.242 0.000 1.088 750 I CA 1.374 62.860 61.300 0.310 0.000 1.357 750 I CB -1.279 36.818 38.000 0.161 0.000 1.051 750 I HN 0.230 nan 8.210 nan 0.000 0.409 751 F N 0.993 121.033 119.950 0.150 0.000 2.102 751 F HA -0.170 4.358 4.527 0.001 0.000 0.298 751 F C 2.532 178.385 175.800 0.087 0.000 1.105 751 F CA 1.219 59.198 58.000 -0.036 0.000 1.239 751 F CB -0.938 37.935 39.000 -0.211 0.000 0.991 751 F HN -0.049 nan 8.300 nan 0.000 0.474 752 L N -0.503 120.890 121.223 0.283 0.000 1.994 752 L HA -0.270 4.071 4.340 0.001 0.000 0.208 752 L C 2.521 179.487 176.870 0.160 0.000 1.071 752 L CA 1.788 56.750 54.840 0.204 0.000 0.745 752 L CB -0.824 41.283 42.059 0.081 0.000 0.892 752 L HN 0.198 nan 8.230 nan 0.000 0.431 753 Q N -0.848 118.940 119.800 -0.021 0.000 2.224 753 Q HA -0.153 4.188 4.340 0.001 0.000 0.203 753 Q C 0.725 176.402 176.000 -0.539 0.000 0.970 753 Q CA 1.080 56.696 55.803 -0.312 0.000 0.865 753 Q CB 0.298 28.727 28.738 -0.515 0.000 0.922 753 Q HN 0.572 nan 8.270 nan 0.000 0.445 754 H N -1.569 117.560 119.070 0.097 0.000 2.637 754 H HA 0.066 4.623 4.556 0.001 0.000 0.245 754 H C 0.564 175.847 175.328 -0.075 0.000 1.190 754 H CA 0.424 56.471 56.048 -0.002 0.000 0.934 754 H CB 0.212 30.042 29.762 0.114 0.000 1.950 754 H HN 0.504 nan 8.280 nan 0.000 0.614 755 H N -0.051 119.110 119.070 0.151 0.000 2.353 755 H HA -0.195 4.362 4.556 0.001 0.000 0.298 755 H C 2.117 177.566 175.328 0.202 0.000 1.103 755 H CA 1.941 58.166 56.048 0.294 0.000 1.293 755 H CB 0.022 30.004 29.762 0.366 0.000 1.372 755 H HN 0.302 nan 8.280 nan 0.000 0.501 756 Q N 0.642 120.307 119.800 -0.224 0.000 2.061 756 Q HA -0.115 4.226 4.340 0.001 0.000 0.204 756 Q C 2.266 178.211 176.000 -0.091 0.000 0.984 756 Q CA 2.155 57.911 55.803 -0.078 0.000 0.846 756 Q CB -0.117 28.520 28.738 -0.169 0.000 0.902 756 Q HN 0.646 nan 8.270 nan 0.000 0.421 757 I N 0.215 120.687 120.570 -0.163 0.000 2.142 757 I HA -0.288 3.883 4.170 0.001 0.000 0.240 757 I C 2.144 177.897 176.117 -0.607 0.000 1.078 757 I CA 1.095 62.212 61.300 -0.305 0.000 1.343 757 I CB -0.218 37.625 38.000 -0.262 0.000 1.046 757 I HN 0.285 nan 8.210 nan 0.000 0.405 758 I N 0.151 120.416 120.570 -0.508 0.000 2.423 758 I HA -0.303 3.868 4.170 0.001 0.000 0.254 758 I C 2.519 178.593 176.117 -0.072 0.000 1.151 758 I CA 1.059 62.091 61.300 -0.447 0.000 1.421 758 I CB -0.480 37.383 38.000 -0.227 0.000 1.079 758 I HN 0.363 nan 8.210 nan 0.000 0.431 759 Q N 0.672 120.549 119.800 0.128 0.000 2.234 759 Q HA -0.248 4.093 4.340 0.001 0.000 0.206 759 Q C 2.040 178.071 176.000 0.052 0.000 0.980 759 Q CA 1.435 57.353 55.803 0.192 0.000 0.869 759 Q CB -0.096 28.707 28.738 0.108 0.000 0.912 759 Q HN 0.665 nan 8.270 nan 0.000 0.436 760 Q N -1.159 118.557 119.800 -0.140 0.000 2.436 760 Q HA -0.101 4.240 4.340 0.001 0.000 0.209 760 Q C 0.591 176.691 176.000 0.167 0.000 0.965 760 Q CA 0.724 56.490 55.803 -0.062 0.000 0.910 760 Q CB 0.148 28.790 28.738 -0.160 0.000 0.980 760 Q HN 0.563 nan 8.270 nan 0.000 0.491 761 Y N -1.143 119.254 120.300 0.161 0.000 2.524 761 Y HA 0.148 4.698 4.550 0.001 0.000 0.266 761 Y C 1.773 177.812 175.900 0.231 0.000 1.180 761 Y CA -1.055 57.153 58.100 0.179 0.000 1.244 761 Y CB 0.292 38.864 38.460 0.188 0.000 1.125 761 Y HN 0.100 nan 8.280 nan 0.000 0.524 762 M N -0.043 119.777 119.600 0.367 0.000 2.089 762 M HA -0.242 4.239 4.480 0.001 0.000 0.257 762 M C 2.103 178.588 176.300 0.308 0.000 1.071 762 M CA 1.541 57.062 55.300 0.368 0.000 1.096 762 M CB -0.909 31.837 32.600 0.244 0.000 1.330 762 M HN 0.240 nan 8.290 nan 0.000 0.403 763 V N -0.251 119.797 119.914 0.224 0.000 2.261 763 V HA -0.261 3.860 4.120 0.001 0.000 0.246 763 V C 2.387 178.571 176.094 0.151 0.000 1.047 763 V CA 2.255 64.656 62.300 0.168 0.000 1.015 763 V CB -1.246 30.655 31.823 0.130 0.000 0.642 763 V HN 0.478 nan 8.190 nan 0.000 0.446 764 T N 0.496 115.145 114.554 0.158 0.000 2.759 764 T HA -0.155 4.196 4.350 0.001 0.000 0.269 764 T C 1.844 176.606 174.700 0.103 0.000 1.042 764 T CA 1.577 63.747 62.100 0.117 0.000 1.140 764 T CB -0.292 68.642 68.868 0.109 0.000 0.864 764 T HN 0.293 nan 8.240 nan 0.000 0.455 765 L N 0.421 121.736 121.223 0.153 0.000 2.072 765 L HA -0.025 4.316 4.340 0.001 0.000 0.205 765 L C 2.687 179.496 176.870 -0.101 0.000 1.079 765 L CA 1.301 56.176 54.840 0.057 0.000 0.752 765 L CB -0.500 41.630 42.059 0.120 0.000 0.906 765 L HN 0.311 nan 8.230 nan 0.000 0.436 766 E N -0.051 120.164 120.200 0.024 0.000 2.150 766 E HA -0.151 4.200 4.350 0.001 0.000 0.193 766 E C 1.743 178.366 176.600 0.039 0.000 0.985 766 E CA 0.804 57.238 56.400 0.056 0.000 0.814 766 E CB 0.003 29.838 29.700 0.226 0.000 0.752 766 E HN 0.461 nan 8.360 nan 0.000 0.466 767 N N 0.228 118.955 118.700 0.044 0.000 2.251 767 N HA 0.009 4.750 4.740 0.001 0.000 0.181 767 N C 1.784 177.296 175.510 0.003 0.000 1.019 767 N CA 0.818 53.887 53.050 0.032 0.000 0.862 767 N CB 0.203 38.716 38.487 0.043 0.000 0.992 767 N HN 0.145 nan 8.380 nan 0.000 0.429 768 L N -0.496 120.722 121.223 -0.010 0.000 2.425 768 L HA 0.258 4.599 4.340 0.001 0.000 0.215 768 L C 1.698 178.518 176.870 -0.084 0.000 1.065 768 L CA 0.311 55.133 54.840 -0.032 0.000 0.842 768 L CB 0.170 42.220 42.059 -0.014 0.000 1.033 768 L HN 0.004 nan 8.230 nan 0.000 0.474 769 L N -1.816 119.324 121.223 -0.137 0.000 2.541 769 L HA 0.182 4.522 4.340 0.001 0.000 0.187 769 L C 0.200 176.789 176.870 -0.468 0.000 1.098 769 L CA 0.228 54.882 54.840 -0.311 0.000 0.846 769 L CB 0.143 41.972 42.059 -0.382 0.000 1.151 769 L HN -0.024 nan 8.230 nan 0.000 0.492 770 F N 1.990 121.743 119.950 -0.329 0.000 2.541 770 F HA 0.179 4.707 4.527 0.001 0.000 0.351 770 F C 0.944 176.609 175.800 -0.225 0.000 1.209 770 F CA -0.595 57.189 58.000 -0.360 0.000 1.277 770 F CB 0.002 38.505 39.000 -0.829 0.000 1.632 770 F HN 0.013 nan 8.300 nan 0.000 0.619 771 T N -2.184 112.367 114.554 -0.005 0.000 2.923 771 T HA 0.586 4.937 4.350 0.001 0.000 0.281 771 T C 1.295 176.034 174.700 0.065 0.000 0.995 771 T CA -0.434 61.685 62.100 0.031 0.000 0.985 771 T CB 1.736 70.605 68.868 0.001 0.000 1.114 771 T HN 0.314 nan 8.240 nan 0.000 0.548 772 A N -0.332 122.526 122.820 0.062 0.000 2.225 772 A HA 0.006 4.326 4.320 0.001 0.000 0.215 772 A C 1.960 179.571 177.584 0.045 0.000 1.164 772 A CA 1.040 53.113 52.037 0.060 0.000 0.710 772 A CB -0.982 18.048 19.000 0.049 0.000 0.780 772 A HN 0.933 nan 8.150 nan 0.000 0.473 773 E N -0.472 119.748 120.200 0.033 0.000 2.299 773 E HA 0.089 4.440 4.350 0.001 0.000 0.193 773 E C 0.032 176.651 176.600 0.031 0.000 0.998 773 E CA -0.200 56.215 56.400 0.024 0.000 0.851 773 E CB -0.068 29.639 29.700 0.010 0.000 0.795 773 E HN 0.581 nan 8.360 nan 0.000 0.492 774 L N 2.161 123.410 121.223 0.045 0.000 2.461 774 L HA 0.013 4.353 4.340 0.001 0.000 0.272 774 L C 0.768 177.686 176.870 0.080 0.000 1.197 774 L CA -0.313 54.568 54.840 0.067 0.000 0.836 774 L CB 0.198 42.314 42.059 0.095 0.000 1.105 774 L HN 0.097 nan 8.230 nan 0.000 0.477 775 D N 4.565 125.020 120.400 0.092 0.000 2.493 775 D HA -0.029 4.612 4.640 0.001 0.000 0.240 775 D C -1.445 174.905 176.300 0.084 0.000 1.142 775 D CA -1.130 52.910 54.000 0.067 0.000 0.872 775 D CB 1.406 42.270 40.800 0.106 0.000 1.173 775 D HN 0.295 nan 8.370 nan 0.000 0.467 776 P HA -0.206 nan 4.420 nan 0.000 0.219 776 P C 0.880 178.259 177.300 0.132 0.000 1.144 776 P CA 1.457 64.580 63.100 0.039 0.000 0.806 776 P CB -0.014 31.666 31.700 -0.033 0.000 0.771 777 H N -0.616 118.544 119.070 0.150 0.000 2.353 777 H HA -0.041 4.516 4.556 0.001 0.000 0.300 777 H C 2.266 177.727 175.328 0.223 0.000 1.090 777 H CA 0.890 57.056 56.048 0.197 0.000 1.327 777 H CB -0.249 29.665 29.762 0.252 0.000 1.383 777 H HN 0.117 nan 8.280 nan 0.000 0.508 778 I N -0.076 120.721 120.570 0.377 0.000 2.235 778 I HA -0.196 3.975 4.170 0.001 0.000 0.241 778 I C 2.272 178.605 176.117 0.359 0.000 1.085 778 I CA 0.454 61.970 61.300 0.361 0.000 1.378 778 I CB -0.095 38.117 38.000 0.353 0.000 1.076 778 I HN 0.169 nan 8.210 nan 0.000 0.415 779 L N 1.597 123.010 121.223 0.317 0.000 2.081 779 L HA -0.187 4.153 4.340 0.001 0.000 0.212 779 L C 2.540 179.540 176.870 0.216 0.000 1.080 779 L CA 2.029 57.057 54.840 0.314 0.000 0.754 779 L CB -0.734 41.462 42.059 0.227 0.000 0.893 779 L HN 0.213 nan 8.230 nan 0.000 0.433 780 A N -1.323 121.594 122.820 0.162 0.000 1.933 780 A HA -0.152 4.168 4.320 0.001 0.000 0.218 780 A C 2.245 179.835 177.584 0.010 0.000 1.175 780 A CA 1.888 53.975 52.037 0.083 0.000 0.628 780 A CB -1.027 18.034 19.000 0.101 0.000 0.814 780 A HN 0.315 nan 8.150 nan 0.000 0.444 781 V N -1.305 118.627 119.914 0.029 0.000 2.407 781 V HA -0.236 3.885 4.120 0.001 0.000 0.248 781 V C 2.261 178.151 176.094 -0.339 0.000 1.055 781 V CA 2.093 64.343 62.300 -0.084 0.000 1.049 781 V CB -0.947 30.890 31.823 0.024 0.000 0.662 781 V HN 0.653 nan 8.190 nan 0.000 0.455 782 F N 1.103 120.742 119.950 -0.519 0.000 2.206 782 F HA -0.137 4.391 4.527 0.001 0.000 0.298 782 F C 2.439 178.005 175.800 -0.390 0.000 1.090 782 F CA 1.668 59.198 58.000 -0.784 0.000 1.323 782 F CB -0.301 38.209 39.000 -0.817 0.000 1.028 782 F HN 0.159 nan 8.300 nan 0.000 0.492 783 Q N -0.177 119.438 119.800 -0.307 0.000 2.167 783 Q HA -0.216 4.125 4.340 0.001 0.000 0.202 783 Q C 2.134 177.937 176.000 -0.330 0.000 0.970 783 Q CA 1.712 57.322 55.803 -0.322 0.000 0.855 783 Q CB -0.287 28.390 28.738 -0.102 0.000 0.911 783 Q HN 0.576 nan 8.270 nan 0.000 0.438 784 Q N -0.093 119.548 119.800 -0.264 0.000 2.046 784 Q HA -0.164 4.177 4.340 0.001 0.000 0.200 784 Q C 1.839 177.677 176.000 -0.271 0.000 0.975 784 Q CA 1.345 57.026 55.803 -0.203 0.000 0.836 784 Q CB -0.226 28.428 28.738 -0.141 0.000 0.896 784 Q HN 0.338 nan 8.270 nan 0.000 0.428 785 F N 0.678 120.294 119.950 -0.556 0.000 2.126 785 F HA -0.288 4.240 4.527 0.001 0.000 0.299 785 F C 2.198 177.702 175.800 -0.493 0.000 1.096 785 F CA 1.327 58.973 58.000 -0.591 0.000 1.255 785 F CB -0.809 37.553 39.000 -1.064 0.000 0.997 785 F HN 0.154 nan 8.300 nan 0.000 0.479 786 C N 0.773 119.502 119.300 -0.952 0.000 2.435 786 C HA 0.064 4.525 4.460 0.001 0.000 0.279 786 C C 3.040 177.696 174.990 -0.557 0.000 1.321 786 C CA 1.163 59.653 59.018 -0.879 0.000 1.752 786 C CB -2.045 25.248 27.740 -0.745 0.000 1.959 786 C HN 0.612 nan 8.230 nan 0.000 0.500 787 A N 0.056 122.633 122.820 -0.405 0.000 2.121 787 A HA 0.024 4.344 4.320 0.001 0.000 0.218 787 A C 2.025 179.432 177.584 -0.295 0.000 1.154 787 A CA 1.104 52.988 52.037 -0.255 0.000 0.679 787 A CB -0.576 18.366 19.000 -0.096 0.000 0.795 787 A HN 0.694 nan 8.150 nan 0.000 0.458 788 L N -1.424 119.581 121.223 -0.364 0.000 2.275 788 L HA -0.120 4.221 4.340 0.001 0.000 0.215 788 L C 1.739 178.417 176.870 -0.320 0.000 1.119 788 L CA 0.879 55.510 54.840 -0.349 0.000 0.790 788 L CB -0.157 41.681 42.059 -0.369 0.000 0.919 788 L HN 0.394 nan 8.230 nan 0.000 0.443 789 Q N -1.351 118.259 119.800 -0.316 0.000 2.064 789 Q HA 0.343 4.684 4.340 0.001 0.000 0.213 789 Q C 0.255 176.150 176.000 -0.175 0.000 0.779 789 Q CA 0.059 55.735 55.803 -0.211 0.000 1.032 789 Q CB 1.235 29.860 28.738 -0.188 0.000 1.203 789 Q HN 0.295 nan 8.270 nan 0.000 0.457 790 A N 0.000 122.693 122.820 -0.212 0.000 2.254 790 A HA 0.000 4.321 4.320 0.001 0.000 0.244 790 A CA 0.000 51.935 52.037 -0.170 0.000 0.836 790 A CB 0.000 18.892 19.000 -0.180 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486