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 3o9v_1_B DATA FIRST_RESID 34 DATA SEQUENCE HHHHHSRKTY TLTDYLKNTY RLKLYSLRWI SDHEYLYKQE NNILVFNAEY DATA SEQUENCE GNSSVFLENS TFDEFGHSIN DYSISPDGQF ILLEYNYVKQ WRHSYTASYD DATA SEQUENCE IYDLNKRQLI TEERIPNNTQ WVTWSPVGHK LAYVWNNDIY VKIEPNLPSY DATA SEQUENCE RITWTGKEDI IYNGITDWVY EEEVFSAYSA LWWSPNGTFL AYAQFNDTEV DATA SEQUENCE PLIEYSFYSD ESLQYPKTVR VPYPKAGAVN PTVKFFVVNT DSLSSVTNAT DATA SEQUENCE SIQITAPASM LIGDHYLCDV TWATQERISL QWLRRIQNYS VMDIcDYDES DATA SEQUENCE SGRWNcLVAR QHIEMSTTGW VGRFRPSEPH FTLDGNSFYK IISNEEGYRH DATA SEQUENCE IcYFQIDKKD cTFITKGTWE VIGIEALTSD YLYYISNEYK GMPGGRNLYK DATA SEQUENCE IQLSDYTKVT CLSCELNPER cQYYSVSFSK EAKYYQLRcS GPGLPLYTLH DATA SEQUENCE SSVNDKGLRV LEDNSALDKM LQNVQMPSKK LDFIILNETK FWYQMILPPH DATA SEQUENCE FDKSKKYPLL LDVYAGPCSQ KADTVFRLNW ATYLASTENI IVASFDGRGS DATA SEQUENCE GYQGDKIMHA INRRLGTFEV EDQIEAARQF SKMGFVDNKR IAIWGWSYGG DATA SEQUENCE YVTSMVLGSG SGVFKcGIAV APVSRWEYYD SVYTERYMGL PTPEDNLDHY DATA SEQUENCE RNSTVMSRAE NFKQVEYLLI HGTADDNVHF QQSAQISKAL VDVGVDFQAM DATA SEQUENCE WYTDEDHGIA SSTAHQHIYT HMSHFIKQcF SLP 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 174.961 175.328 -0.612 0.000 0.993 34 H CA 0.000 55.736 56.048 -0.520 0.000 1.023 34 H CB 0.000 29.526 29.762 -0.393 0.000 1.292 35 H N -0.814 118.063 119.070 -0.321 0.000 2.482 35 H HA 0.073 3.220 4.556 -2.348 0.000 0.286 35 H C 0.572 175.866 175.328 -0.056 0.000 1.017 35 H CA 1.134 57.092 56.048 -0.149 0.000 1.322 35 H CB 0.027 29.732 29.762 -0.095 0.000 1.426 35 H HN 0.630 nan 8.280 nan 0.000 0.546 36 H N 0.573 119.501 119.070 -0.236 0.000 2.958 36 H HA -0.212 2.935 4.556 -2.349 0.000 0.274 36 H C -0.455 174.789 175.328 -0.140 0.000 1.184 36 H CA 0.491 56.428 56.048 -0.186 0.000 1.143 36 H CB -2.150 27.619 29.762 0.011 0.000 1.297 36 H HN 0.692 nan 8.280 nan 0.000 0.356 37 H N -2.587 116.701 119.070 0.364 0.000 2.958 37 H HA -0.188 2.959 4.556 -2.349 0.000 0.274 37 H C 0.296 175.657 175.328 0.054 0.000 1.184 37 H CA 1.077 57.239 56.048 0.189 0.000 1.143 37 H CB -1.928 27.889 29.762 0.091 0.000 1.297 37 H HN 0.677 nan 8.280 nan 0.000 0.356 38 H N 0.785 120.011 119.070 0.261 0.000 2.790 38 H HA 0.143 3.290 4.556 -2.348 0.000 0.358 38 H C 0.632 176.052 175.328 0.155 0.000 1.103 38 H CA 0.203 56.367 56.048 0.192 0.000 1.426 38 H CB 0.823 30.688 29.762 0.171 0.000 1.424 38 H HN 0.099 nan 8.280 nan 0.000 0.599 39 S N 2.593 118.458 115.700 0.275 0.000 2.506 39 S HA -0.001 3.061 4.470 -2.348 0.000 0.291 39 S C 1.644 176.363 174.600 0.197 0.000 1.230 39 S CA -0.310 58.009 58.200 0.198 0.000 1.107 39 S CB 0.231 63.534 63.200 0.171 0.000 0.942 39 S HN 0.609 nan 8.310 nan 0.000 0.502 40 R N 2.697 123.284 120.500 0.145 0.000 2.369 40 R HA 0.254 3.185 4.340 -2.348 0.000 0.210 40 R C -0.013 176.353 176.300 0.110 0.000 0.881 40 R CA -0.348 55.825 56.100 0.122 0.000 1.031 40 R CB 0.077 30.434 30.300 0.095 0.000 1.184 40 R HN 0.303 nan 8.270 nan 0.000 0.581 41 K N 2.175 122.639 120.400 0.106 0.000 2.286 41 K HA 0.064 2.975 4.320 -2.348 0.000 0.256 41 K C 0.028 176.709 176.600 0.135 0.000 0.999 41 K CA 1.009 57.367 56.287 0.118 0.000 0.908 41 K CB 0.708 33.286 32.500 0.131 0.000 0.981 41 K HN 0.269 nan 8.250 nan 0.000 0.500 42 T N -2.306 112.341 114.554 0.155 0.000 2.841 42 T HA 0.203 3.144 4.350 -2.348 0.000 0.296 42 T C -1.338 173.510 174.700 0.247 0.000 1.166 42 T CA -0.832 61.375 62.100 0.178 0.000 1.007 42 T CB 0.599 69.566 68.868 0.166 0.000 1.253 42 T HN 0.459 nan 8.240 nan 0.000 0.511 43 Y N 2.773 123.155 120.300 0.137 0.000 2.504 43 Y HA 0.448 3.589 4.550 -2.349 0.000 0.351 43 Y C 0.858 176.921 175.900 0.271 0.000 0.988 43 Y CA -0.179 58.038 58.100 0.195 0.000 1.239 43 Y CB 0.052 38.583 38.460 0.119 0.000 1.128 43 Y HN 1.014 nan 8.280 nan 0.000 0.525 44 T N 2.425 116.949 114.554 -0.050 0.000 2.912 44 T HA 0.168 3.109 4.350 -2.348 0.000 0.280 44 T C 0.971 175.505 174.700 -0.278 0.000 0.989 44 T CA -0.807 61.285 62.100 -0.014 0.000 0.995 44 T CB 1.327 70.186 68.868 -0.016 0.000 1.077 44 T HN 0.655 nan 8.240 nan 0.000 0.531 45 L N 1.313 122.223 121.223 -0.522 0.000 2.012 45 L HA -0.026 2.905 4.340 -2.348 0.000 0.210 45 L C 2.633 179.350 176.870 -0.255 0.000 1.073 45 L CA 2.252 56.727 54.840 -0.608 0.000 0.748 45 L CB -1.522 40.100 42.059 -0.729 0.000 0.891 45 L HN 0.970 nan 8.230 nan 0.000 0.431 46 T N -0.577 113.855 114.554 -0.203 0.000 2.788 46 T HA -0.160 2.781 4.350 -2.348 0.000 0.268 46 T C 1.474 176.079 174.700 -0.157 0.000 1.044 46 T CA 1.354 63.367 62.100 -0.143 0.000 1.139 46 T CB -0.404 68.403 68.868 -0.102 0.000 0.867 46 T HN 0.413 nan 8.240 nan 0.000 0.454 47 D N 0.267 120.539 120.400 -0.212 0.000 2.092 47 D HA -0.113 3.118 4.640 -2.348 0.000 0.193 47 D C 1.754 177.947 176.300 -0.179 0.000 0.994 47 D CA 1.211 55.060 54.000 -0.252 0.000 0.828 47 D CB -0.462 40.107 40.800 -0.385 0.000 0.963 47 D HN 0.432 nan 8.370 nan 0.000 0.450 48 Y N 1.473 121.553 120.300 -0.367 0.000 2.133 48 Y HA -0.105 3.038 4.550 -2.344 0.000 0.287 48 Y C 2.243 178.140 175.900 -0.005 0.000 1.134 48 Y CA 1.263 59.325 58.100 -0.063 0.000 1.133 48 Y CB -0.641 37.838 38.460 0.031 0.000 0.987 48 Y HN -0.100 nan 8.280 nan 0.000 0.502 49 L N 0.058 121.108 121.223 -0.287 0.000 2.141 49 L HA -0.162 2.769 4.340 -2.348 0.000 0.209 49 L C 1.895 178.653 176.870 -0.186 0.000 1.094 49 L CA 1.320 55.962 54.840 -0.330 0.000 0.763 49 L CB -0.444 41.500 42.059 -0.191 0.000 0.908 49 L HN 0.088 nan 8.230 nan 0.000 0.437 50 K N -0.439 119.880 120.400 -0.134 0.000 2.374 50 K HA 0.112 3.023 4.320 -2.348 0.000 0.196 50 K C 0.111 176.664 176.600 -0.078 0.000 1.023 50 K CA -0.100 56.131 56.287 -0.094 0.000 1.103 50 K CB 0.085 32.533 32.500 -0.086 0.000 0.848 50 K HN 0.192 nan 8.250 nan 0.000 0.528 51 N N 1.412 120.075 118.700 -0.061 0.000 2.758 51 N HA -0.142 3.189 4.740 -2.348 0.000 0.248 51 N C 0.334 175.832 175.510 -0.021 0.000 1.076 51 N CA 0.944 53.995 53.050 0.002 0.000 0.696 51 N CB -1.197 37.286 38.487 -0.007 0.000 0.979 51 N HN 0.192 nan 8.380 nan 0.000 0.550 52 T N -1.235 113.260 114.554 -0.098 0.000 2.720 52 T HA -0.168 2.773 4.350 -2.348 0.000 0.268 52 T C 0.628 175.125 174.700 -0.339 0.000 1.037 52 T CA 1.343 63.268 62.100 -0.292 0.000 1.144 52 T CB -0.118 68.452 68.868 -0.498 0.000 0.864 52 T HN 0.339 nan 8.240 nan 0.000 0.444 53 Y N 1.817 122.221 120.300 0.174 0.000 2.841 53 Y HA 0.477 3.619 4.550 -2.347 0.000 0.329 53 Y C 0.518 176.523 175.900 0.176 0.000 1.062 53 Y CA -1.219 56.998 58.100 0.195 0.000 1.281 53 Y CB 0.127 38.758 38.460 0.286 0.000 1.147 53 Y HN -0.077 nan 8.280 nan 0.000 0.521 54 R N 2.124 122.755 120.500 0.219 0.000 2.438 54 R HA 0.367 3.298 4.340 -2.348 0.000 0.287 54 R C -1.031 175.372 176.300 0.172 0.000 1.077 54 R CA -0.709 55.488 56.100 0.162 0.000 1.034 54 R CB 0.523 30.878 30.300 0.093 0.000 0.993 54 R HN 0.531 nan 8.270 nan 0.000 0.459 55 L N 4.066 125.388 121.223 0.165 0.000 2.276 55 L HA 0.307 3.238 4.340 -2.348 0.000 0.286 55 L C -0.477 176.468 176.870 0.124 0.000 1.061 55 L CA 0.135 55.074 54.840 0.166 0.000 0.807 55 L CB 1.104 43.277 42.059 0.190 0.000 1.177 55 L HN 0.469 nan 8.230 nan 0.000 0.429 56 K N 3.257 123.722 120.400 0.109 0.000 2.172 56 K HA 0.583 3.494 4.320 -2.348 0.000 0.276 56 K C -0.958 175.640 176.600 -0.005 0.000 1.013 56 K CA -0.389 55.931 56.287 0.055 0.000 0.913 56 K CB 0.840 33.367 32.500 0.046 0.000 1.055 56 K HN 0.346 nan 8.250 nan 0.000 0.461 57 L N 2.675 123.837 121.223 -0.101 0.000 2.298 57 L HA 0.471 3.402 4.340 -2.348 0.000 0.268 57 L C -1.124 175.423 176.870 -0.537 0.000 1.010 57 L CA -0.610 54.035 54.840 -0.323 0.000 0.812 57 L CB 0.712 42.726 42.059 -0.075 0.000 1.331 57 L HN 0.524 nan 8.230 nan 0.000 0.450 58 Y N 0.270 119.977 120.300 -0.987 0.000 2.422 58 Y HA 0.401 3.542 4.550 -2.348 0.000 0.344 58 Y C -0.312 175.108 175.900 -0.800 0.000 1.097 58 Y CA -0.518 57.047 58.100 -0.892 0.000 1.307 58 Y CB 1.406 39.356 38.460 -0.849 0.000 1.102 58 Y HN 0.525 nan 8.280 nan 0.000 0.520 59 S N 6.143 121.225 115.700 -1.031 0.000 2.513 59 S HA 0.770 3.831 4.470 -2.348 0.000 0.276 59 S C -0.885 173.245 174.600 -0.783 0.000 1.254 59 S CA -0.352 57.495 58.200 -0.589 0.000 1.053 59 S CB -0.013 63.087 63.200 -0.166 0.000 0.958 59 S HN 0.615 nan 8.310 nan 0.000 0.491 60 L N 2.479 123.459 121.223 -0.405 0.000 2.376 60 L HA 0.788 3.719 4.340 -2.348 0.000 0.258 60 L C -0.635 176.129 176.870 -0.176 0.000 1.013 60 L CA -1.069 53.575 54.840 -0.326 0.000 0.822 60 L CB 1.734 43.383 42.059 -0.682 0.000 1.388 60 L HN 0.550 nan 8.230 nan 0.000 0.413 61 R N 0.737 121.191 120.500 -0.078 0.000 2.451 61 R HA 0.386 3.317 4.340 -2.348 0.000 0.307 61 R C -1.774 174.543 176.300 0.028 0.000 0.965 61 R CA -0.300 55.800 56.100 -0.001 0.000 0.865 61 R CB 1.311 31.641 30.300 0.049 0.000 1.174 61 R HN 0.663 nan 8.270 nan 0.000 0.455 62 W N 4.974 126.356 121.300 0.137 0.000 2.469 62 W HA 0.076 3.327 4.660 -2.349 0.000 0.321 62 W C 1.688 178.259 176.519 0.087 0.000 1.415 62 W CA -0.421 57.011 57.345 0.146 0.000 1.308 62 W CB 0.425 29.974 29.460 0.149 0.000 1.368 62 W HN 0.653 nan 8.180 nan 0.000 0.546 63 I N 0.339 121.069 120.570 0.267 0.000 3.035 63 I HA 0.097 2.859 4.170 -2.348 0.000 0.271 63 I C 1.029 177.207 176.117 0.102 0.000 1.190 63 I CA 0.453 61.825 61.300 0.120 0.000 1.472 63 I CB -0.156 37.840 38.000 -0.006 0.000 1.116 63 I HN 0.298 nan 8.210 nan 0.000 0.443 64 S N 0.005 115.775 115.700 0.117 0.000 2.971 64 S HA 0.303 3.365 4.470 -2.348 0.000 0.320 64 S C 0.286 174.931 174.600 0.076 0.000 1.111 64 S CA -0.057 58.149 58.200 0.010 0.000 0.870 64 S CB 1.414 64.468 63.200 -0.243 0.000 1.331 64 S HN 0.139 nan 8.310 nan 0.000 0.635 65 D N -0.311 120.128 120.400 0.065 0.000 2.347 65 D HA 0.085 3.316 4.640 -2.348 0.000 0.213 65 D C 1.055 177.585 176.300 0.385 0.000 0.985 65 D CA 1.116 55.266 54.000 0.249 0.000 0.879 65 D CB 0.013 41.046 40.800 0.388 0.000 0.919 65 D HN 0.657 nan 8.370 nan 0.000 0.526 66 H N -2.275 116.923 119.070 0.214 0.000 3.540 66 H HA 0.427 3.574 4.556 -2.348 0.000 0.259 66 H C -0.381 175.055 175.328 0.180 0.000 1.197 66 H CA -0.301 55.817 56.048 0.117 0.000 1.136 66 H CB -0.072 29.753 29.762 0.105 0.000 1.605 66 H HN 0.018 nan 8.280 nan 0.000 0.657 67 E N 1.059 121.375 120.200 0.194 0.000 2.293 67 E HA 0.459 3.400 4.350 -2.348 0.000 0.270 67 E C -1.407 175.330 176.600 0.229 0.000 0.879 67 E CA -1.088 55.381 56.400 0.115 0.000 0.756 67 E CB 2.817 32.490 29.700 -0.046 0.000 1.208 67 E HN 0.275 nan 8.360 nan 0.000 0.428 68 Y N -0.189 120.084 120.300 -0.044 0.000 2.638 68 Y HA 0.743 3.884 4.550 -2.347 0.000 0.339 68 Y C -1.594 174.277 175.900 -0.047 0.000 1.084 68 Y CA -1.457 56.523 58.100 -0.200 0.000 1.068 68 Y CB 0.890 38.912 38.460 -0.731 0.000 1.294 68 Y HN 0.337 nan 8.280 nan 0.000 0.480 69 L N 2.435 123.781 121.223 0.205 0.000 2.334 69 L HA 0.560 3.491 4.340 -2.348 0.000 0.273 69 L C -1.288 175.863 176.870 0.467 0.000 1.013 69 L CA -0.983 53.977 54.840 0.201 0.000 0.816 69 L CB 1.727 43.826 42.059 0.065 0.000 1.278 69 L HN 0.701 nan 8.230 nan 0.000 0.431 70 Y N 1.429 121.936 120.300 0.344 0.000 2.571 70 Y HA 0.357 3.498 4.550 -2.348 0.000 0.341 70 Y C -1.038 174.956 175.900 0.155 0.000 1.076 70 Y CA -2.323 55.907 58.100 0.218 0.000 1.029 70 Y CB 1.837 40.320 38.460 0.039 0.000 1.308 70 Y HN 0.564 nan 8.280 nan 0.000 0.461 71 K N 2.833 123.031 120.400 -0.337 0.000 2.250 71 K HA 0.338 3.249 4.320 -2.348 0.000 0.285 71 K C 0.318 176.572 176.600 -0.577 0.000 1.097 71 K CA -0.286 55.768 56.287 -0.389 0.000 0.913 71 K CB 1.729 34.082 32.500 -0.245 0.000 1.179 71 K HN 0.623 nan 8.250 nan 0.000 0.462 72 Q N 3.226 122.862 119.800 -0.274 0.000 1.890 72 Q HA -0.100 2.831 4.340 -2.348 0.000 0.208 72 Q C -0.255 175.640 176.000 -0.175 0.000 0.982 72 Q CA 1.693 57.392 55.803 -0.173 0.000 0.856 72 Q CB 0.281 29.002 28.738 -0.028 0.000 0.915 72 Q HN 0.800 nan 8.270 nan 0.000 0.427 73 E N 0.057 120.180 120.200 -0.129 0.000 3.037 73 E HA 0.265 3.206 4.350 -2.348 0.000 0.220 73 E C -0.845 175.686 176.600 -0.116 0.000 1.142 73 E CA -0.141 56.192 56.400 -0.112 0.000 0.888 73 E CB 0.572 30.224 29.700 -0.079 0.000 1.329 73 E HN 0.346 nan 8.360 nan 0.000 0.409 74 N N 0.195 118.814 118.700 -0.136 0.000 2.932 74 N HA -0.222 3.109 4.740 -2.348 0.000 0.227 74 N C -0.281 175.148 175.510 -0.136 0.000 0.854 74 N CA 1.289 54.264 53.050 -0.126 0.000 1.064 74 N CB -1.022 37.405 38.487 -0.100 0.000 1.029 74 N HN 0.377 nan 8.380 nan 0.000 0.619 75 N N 0.626 119.246 118.700 -0.134 0.000 2.482 75 N HA 0.402 3.733 4.740 -2.348 0.000 0.260 75 N C 0.067 175.496 175.510 -0.135 0.000 1.236 75 N CA 0.180 53.148 53.050 -0.137 0.000 0.938 75 N CB 0.712 39.124 38.487 -0.125 0.000 1.128 75 N HN 0.200 nan 8.380 nan 0.000 0.448 76 I N 1.957 122.455 120.570 -0.121 0.000 2.382 76 I HA 0.255 3.016 4.170 -2.348 0.000 0.285 76 I C -0.968 175.109 176.117 -0.066 0.000 1.007 76 I CA -0.580 60.671 61.300 -0.083 0.000 1.142 76 I CB 0.846 38.787 38.000 -0.098 0.000 1.289 76 I HN 0.165 nan 8.210 nan 0.000 0.453 77 L N 6.734 127.854 121.223 -0.171 0.000 2.331 77 L HA 0.466 3.397 4.340 -2.348 0.000 0.275 77 L C -0.125 176.482 176.870 -0.438 0.000 1.022 77 L CA -0.593 54.000 54.840 -0.411 0.000 0.812 77 L CB 1.853 43.374 42.059 -0.896 0.000 1.257 77 L HN 0.286 nan 8.230 nan 0.000 0.435 78 V N 4.265 123.959 119.914 -0.367 0.000 2.339 78 V HA 0.380 3.091 4.120 -2.348 0.000 0.261 78 V C -0.456 175.370 176.094 -0.446 0.000 1.058 78 V CA -0.190 61.914 62.300 -0.326 0.000 0.897 78 V CB -0.362 31.357 31.823 -0.173 0.000 1.052 78 V HN 0.461 nan 8.190 nan 0.000 0.480 79 F N 5.061 124.761 119.950 -0.416 0.000 2.389 79 F HA 0.404 3.522 4.527 -2.347 0.000 0.337 79 F C 0.757 176.243 175.800 -0.523 0.000 1.112 79 F CA -0.030 57.654 58.000 -0.528 0.000 1.192 79 F CB 0.845 39.341 39.000 -0.841 0.000 1.185 79 F HN 0.464 nan 8.300 nan 0.000 0.552 80 N N 0.508 119.162 118.700 -0.077 0.000 2.400 80 N HA 0.481 3.812 4.740 -2.348 0.000 0.288 80 N C 0.215 175.756 175.510 0.053 0.000 1.024 80 N CA -0.243 52.819 53.050 0.019 0.000 0.894 80 N CB 1.508 40.097 38.487 0.171 0.000 1.173 80 N HN 0.727 nan 8.380 nan 0.000 0.487 81 A N 2.640 125.458 122.820 -0.003 0.000 2.021 81 A HA -0.034 2.877 4.320 -2.348 0.000 0.216 81 A C 1.511 179.062 177.584 -0.054 0.000 1.163 81 A CA 0.872 52.891 52.037 -0.030 0.000 0.676 81 A CB -0.210 18.675 19.000 -0.191 0.000 0.818 81 A HN 0.830 nan 8.150 nan 0.000 0.453 82 E N -0.536 119.611 120.200 -0.088 0.000 1.999 82 E HA -0.188 2.753 4.350 -2.348 0.000 0.194 82 E C 1.849 178.421 176.600 -0.047 0.000 0.995 82 E CA 1.805 58.138 56.400 -0.112 0.000 0.825 82 E CB -0.454 28.956 29.700 -0.484 0.000 0.777 82 E HN 0.855 nan 8.360 nan 0.000 0.459 83 Y N -1.149 119.175 120.300 0.040 0.000 2.239 83 Y HA 0.321 3.462 4.550 -2.348 0.000 0.293 83 Y C 1.980 177.898 175.900 0.030 0.000 1.126 83 Y CA 0.018 58.139 58.100 0.035 0.000 1.128 83 Y CB 0.159 38.636 38.460 0.028 0.000 1.066 83 Y HN 0.273 nan 8.280 nan 0.000 0.516 84 G N 0.096 109.071 108.800 0.291 0.000 2.551 84 G HA2 -0.241 2.310 3.960 -2.348 0.000 0.186 84 G HA3 -0.241 2.310 3.960 -2.348 0.000 0.186 84 G C -0.440 174.526 174.900 0.110 0.000 1.002 84 G CA -0.261 44.937 45.100 0.162 0.000 0.723 84 G HN 0.423 nan 8.290 nan 0.000 0.481 85 N N 1.373 120.089 118.700 0.026 0.000 2.458 85 N HA 0.450 3.782 4.740 -2.348 0.000 0.258 85 N C -0.256 175.204 175.510 -0.084 0.000 1.219 85 N CA 0.969 53.976 53.050 -0.072 0.000 0.902 85 N CB 1.219 39.590 38.487 -0.193 0.000 1.076 85 N HN 0.989 nan 8.380 nan 0.000 0.455 86 S N -0.030 115.611 115.700 -0.098 0.000 2.689 86 S HA 0.452 3.513 4.470 -2.348 0.000 0.274 86 S C -0.821 173.643 174.600 -0.226 0.000 1.176 86 S CA -0.992 57.088 58.200 -0.200 0.000 1.014 86 S CB 0.136 63.169 63.200 -0.278 0.000 1.071 86 S HN 0.750 nan 8.310 nan 0.000 0.478 87 S N 1.886 117.460 115.700 -0.210 0.000 2.608 87 S HA 0.724 3.785 4.470 -2.348 0.000 0.291 87 S C 0.114 174.604 174.600 -0.183 0.000 1.146 87 S CA -0.893 57.207 58.200 -0.168 0.000 1.043 87 S CB 1.133 64.261 63.200 -0.120 0.000 1.037 87 S HN 0.784 nan 8.310 nan 0.000 0.520 88 V N 2.847 122.668 119.914 -0.154 0.000 2.599 88 V HA 0.051 2.762 4.120 -2.348 0.000 0.300 88 V C 0.683 176.732 176.094 -0.074 0.000 1.034 88 V CA 0.278 62.497 62.300 -0.136 0.000 1.115 88 V CB -0.039 31.704 31.823 -0.135 0.000 0.934 88 V HN 0.967 nan 8.190 nan 0.000 0.485 89 F N 5.354 125.188 119.950 -0.193 0.000 2.317 89 F HA 0.431 3.549 4.527 -2.348 0.000 0.290 89 F C 0.351 176.067 175.800 -0.140 0.000 1.075 89 F CA 0.470 58.379 58.000 -0.151 0.000 1.380 89 F CB 0.589 39.507 39.000 -0.136 0.000 1.093 89 F HN 0.375 nan 8.300 nan 0.000 0.524 90 L N 1.020 122.166 121.223 -0.129 0.000 2.543 90 L HA 0.341 3.272 4.340 -2.348 0.000 0.265 90 L C -1.298 175.447 176.870 -0.207 0.000 0.945 90 L CA -0.417 54.276 54.840 -0.244 0.000 0.869 90 L CB 1.855 43.814 42.059 -0.168 0.000 1.294 90 L HN -0.058 nan 8.230 nan 0.000 0.405 91 E N 2.170 122.215 120.200 -0.259 0.000 2.301 91 E HA 0.199 3.140 4.350 -2.348 0.000 0.275 91 E C 0.560 177.001 176.600 -0.264 0.000 1.030 91 E CA -0.198 56.064 56.400 -0.230 0.000 0.852 91 E CB 0.768 30.339 29.700 -0.214 0.000 1.060 91 E HN 0.651 nan 8.360 nan 0.000 0.401 92 N N 0.975 119.553 118.700 -0.203 0.000 2.417 92 N HA -0.187 3.144 4.740 -2.348 0.000 0.187 92 N C 0.742 176.128 175.510 -0.206 0.000 1.027 92 N CA 1.027 53.966 53.050 -0.186 0.000 0.891 92 N CB -0.247 38.159 38.487 -0.135 0.000 0.956 92 N HN 0.273 nan 8.380 nan 0.000 0.442 93 S N -2.497 113.067 115.700 -0.227 0.000 2.618 93 S HA 0.233 3.294 4.470 -2.348 0.000 0.242 93 S C 0.728 175.146 174.600 -0.305 0.000 0.972 93 S CA -0.479 57.594 58.200 -0.212 0.000 1.004 93 S CB -0.118 62.986 63.200 -0.160 0.000 0.778 93 S HN 0.224 nan 8.310 nan 0.000 0.459 94 T N 0.762 115.004 114.554 -0.521 0.000 3.021 94 T HA 0.268 3.209 4.350 -2.348 0.000 0.245 94 T C 0.008 174.224 174.700 -0.807 0.000 1.028 94 T CA 0.382 61.986 62.100 -0.825 0.000 1.139 94 T CB -0.227 67.815 68.868 -1.375 0.000 0.884 94 T HN 0.532 nan 8.240 nan 0.000 0.457 95 F N 2.832 122.690 119.950 -0.155 0.000 2.963 95 F HA 0.322 3.440 4.527 -2.348 0.000 0.321 95 F C 1.148 176.936 175.800 -0.020 0.000 1.234 95 F CA -1.816 56.143 58.000 -0.069 0.000 1.296 95 F CB -0.246 38.617 39.000 -0.229 0.000 0.981 95 F HN 0.126 nan 8.300 nan 0.000 0.507 96 D N 0.237 120.657 120.400 0.034 0.000 2.213 96 D HA -0.146 3.085 4.640 -2.348 0.000 0.205 96 D C 1.030 177.365 176.300 0.058 0.000 0.961 96 D CA 0.761 54.776 54.000 0.025 0.000 0.853 96 D CB -0.355 40.422 40.800 -0.039 0.000 0.967 96 D HN 0.574 nan 8.370 nan 0.000 0.496 97 E N -0.658 119.586 120.200 0.074 0.000 2.403 97 E HA 0.039 2.981 4.350 -2.348 0.000 0.188 97 E C 1.020 177.689 176.600 0.114 0.000 1.056 97 E CA -0.520 55.918 56.400 0.062 0.000 0.892 97 E CB -0.464 29.255 29.700 0.032 0.000 1.049 97 E HN 0.148 nan 8.360 nan 0.000 0.465 98 F N 1.930 121.899 119.950 0.031 0.000 2.128 98 F HA 0.125 3.243 4.527 -2.348 0.000 0.295 98 F C 1.816 177.593 175.800 -0.038 0.000 1.100 98 F CA 2.265 60.280 58.000 0.024 0.000 1.260 98 F CB 0.138 39.150 39.000 0.019 0.000 1.009 98 F HN 0.282 nan 8.300 nan 0.000 0.476 99 G N -1.138 107.677 108.800 0.025 0.000 2.195 99 G HA2 -0.196 2.355 3.960 -2.348 0.000 0.224 99 G HA3 -0.196 2.355 3.960 -2.348 0.000 0.224 99 G C 0.045 174.715 174.900 -0.385 0.000 0.990 99 G CA 0.130 45.096 45.100 -0.224 0.000 0.639 99 G HN 0.537 nan 8.290 nan 0.000 0.514 100 H N -0.141 119.041 119.070 0.187 0.000 2.806 100 H HA 0.559 3.706 4.556 -2.348 0.000 0.367 100 H C -0.213 175.183 175.328 0.114 0.000 1.136 100 H CA -0.037 56.110 56.048 0.165 0.000 1.178 100 H CB 1.712 31.567 29.762 0.154 0.000 1.718 100 H HN 0.223 nan 8.280 nan 0.000 0.540 101 S N 2.379 118.191 115.700 0.186 0.000 2.515 101 S HA 0.088 3.149 4.470 -2.348 0.000 0.285 101 S C 0.118 174.753 174.600 0.059 0.000 1.265 101 S CA -0.648 57.608 58.200 0.094 0.000 1.079 101 S CB -0.895 62.354 63.200 0.081 0.000 0.877 101 S HN 0.313 nan 8.310 nan 0.000 0.493 102 I N 5.441 125.986 120.570 -0.042 0.000 2.474 102 I HA 0.288 3.049 4.170 -2.348 0.000 0.287 102 I C 1.345 177.438 176.117 -0.039 0.000 1.048 102 I CA -0.048 61.185 61.300 -0.111 0.000 1.383 102 I CB 0.911 38.790 38.000 -0.201 0.000 1.412 102 I HN 0.742 nan 8.210 nan 0.000 0.531 103 N N 2.381 121.062 118.700 -0.032 0.000 2.436 103 N HA 0.020 3.351 4.740 -2.348 0.000 0.178 103 N C -0.281 175.196 175.510 -0.055 0.000 1.026 103 N CA 0.742 53.750 53.050 -0.070 0.000 0.880 103 N CB 0.489 38.910 38.487 -0.111 0.000 1.061 103 N HN 0.725 nan 8.380 nan 0.000 0.434 104 D N -2.149 118.252 120.400 0.002 0.000 2.653 104 D HA 0.167 3.398 4.640 -2.348 0.000 0.258 104 D C -1.648 174.749 176.300 0.161 0.000 1.252 104 D CA -0.528 53.513 54.000 0.069 0.000 0.777 104 D CB 0.789 41.584 40.800 -0.010 0.000 1.339 104 D HN 0.086 nan 8.370 nan 0.000 0.422 105 Y N -0.751 119.582 120.300 0.055 0.000 2.602 105 Y HA 0.811 3.952 4.550 -2.348 0.000 0.342 105 Y C -1.000 174.997 175.900 0.162 0.000 1.029 105 Y CA -1.070 57.088 58.100 0.096 0.000 1.080 105 Y CB 1.654 40.172 38.460 0.097 0.000 1.284 105 Y HN 0.170 nan 8.280 nan 0.000 0.485 106 S N 1.645 117.486 115.700 0.236 0.000 2.548 106 S HA 0.721 3.782 4.470 -2.348 0.000 0.276 106 S C -1.682 173.185 174.600 0.446 0.000 1.129 106 S CA -0.609 57.735 58.200 0.240 0.000 0.931 106 S CB 0.689 64.090 63.200 0.335 0.000 1.068 106 S HN 0.687 nan 8.310 nan 0.000 0.480 107 I N 3.927 124.648 120.570 0.251 0.000 2.378 107 I HA 0.326 3.087 4.170 -2.348 0.000 0.291 107 I C 0.462 176.371 176.117 -0.346 0.000 0.992 107 I CA -0.543 60.817 61.300 0.099 0.000 1.154 107 I CB 2.156 40.243 38.000 0.145 0.000 1.315 107 I HN 0.781 nan 8.210 nan 0.000 0.448 108 S N 5.892 121.091 115.700 -0.835 0.000 2.560 108 S HA 0.130 3.191 4.470 -2.348 0.000 0.284 108 S C -1.856 172.445 174.600 -0.498 0.000 1.327 108 S CA -0.888 56.519 58.200 -1.323 0.000 1.055 108 S CB 0.516 62.868 63.200 -1.414 0.000 0.868 108 S HN 0.417 nan 8.310 nan 0.000 0.506 109 P HA -0.167 nan 4.420 nan 0.000 0.217 109 P C 0.809 178.060 177.300 -0.080 0.000 1.148 109 P CA 1.576 64.592 63.100 -0.139 0.000 0.834 109 P CB -0.134 31.509 31.700 -0.094 0.000 0.783 110 D N -2.099 118.259 120.400 -0.070 0.000 2.328 110 D HA 0.078 3.309 4.640 -2.348 0.000 0.226 110 D C 1.291 177.582 176.300 -0.015 0.000 1.066 110 D CA 0.480 54.477 54.000 -0.005 0.000 0.861 110 D CB -1.203 39.641 40.800 0.073 0.000 0.912 110 D HN 0.175 nan 8.370 nan 0.000 0.521 111 G N 0.827 109.603 108.800 -0.040 0.000 2.258 111 G HA2 -0.379 2.172 3.960 -2.348 0.000 0.274 111 G HA3 -0.379 2.172 3.960 -2.348 0.000 0.274 111 G C 0.779 175.670 174.900 -0.014 0.000 1.021 111 G CA 0.667 45.784 45.100 0.028 0.000 0.798 111 G HN 0.482 nan 8.290 nan 0.000 0.507 112 Q N -1.953 117.783 119.800 -0.107 0.000 2.396 112 Q HA 0.402 3.333 4.340 -2.348 0.000 0.209 112 Q C 0.136 175.744 176.000 -0.654 0.000 0.906 112 Q CA 0.583 56.183 55.803 -0.338 0.000 0.927 112 Q CB 0.688 29.221 28.738 -0.341 0.000 1.069 112 Q HN 0.563 nan 8.270 nan 0.000 0.523 113 F N -0.299 119.588 119.950 -0.105 0.000 2.613 113 F HA 0.495 3.613 4.527 -2.348 0.000 0.310 113 F C -0.778 175.094 175.800 0.120 0.000 1.085 113 F CA -1.094 56.919 58.000 0.022 0.000 0.945 113 F CB 1.929 40.980 39.000 0.083 0.000 1.298 113 F HN -0.215 nan 8.300 nan 0.000 0.455 114 I N 3.205 124.073 120.570 0.496 0.000 2.498 114 I HA 0.551 3.312 4.170 -2.348 0.000 0.290 114 I C -1.833 174.597 176.117 0.520 0.000 1.032 114 I CA -1.098 60.501 61.300 0.498 0.000 1.073 114 I CB 1.628 39.895 38.000 0.446 0.000 1.251 114 I HN 0.573 nan 8.210 nan 0.000 0.426 115 L N 8.420 129.981 121.223 0.562 0.000 2.264 115 L HA 0.503 3.434 4.340 -2.348 0.000 0.289 115 L C -1.392 175.634 176.870 0.260 0.000 1.044 115 L CA -0.030 55.037 54.840 0.377 0.000 0.807 115 L CB 0.986 43.217 42.059 0.285 0.000 1.192 115 L HN 0.510 nan 8.230 nan 0.000 0.425 116 L N 5.257 126.558 121.223 0.131 0.000 2.257 116 L HA 0.471 3.403 4.340 -2.348 0.000 0.290 116 L C 0.097 177.000 176.870 0.055 0.000 1.044 116 L CA -0.367 54.453 54.840 -0.033 0.000 0.810 116 L CB 1.233 43.030 42.059 -0.437 0.000 1.193 116 L HN 0.661 nan 8.230 nan 0.000 0.425 117 E N 4.342 124.545 120.200 0.005 0.000 2.174 117 E HA 0.420 3.361 4.350 -2.348 0.000 0.282 117 E C -1.456 175.088 176.600 -0.095 0.000 0.992 117 E CA -0.457 55.805 56.400 -0.229 0.000 0.803 117 E CB 0.977 30.625 29.700 -0.086 0.000 1.090 117 E HN 0.460 nan 8.360 nan 0.000 0.396 118 Y N 1.531 121.614 120.300 -0.362 0.000 2.829 118 Y HA 0.404 3.545 4.550 -2.348 0.000 0.322 118 Y C -0.260 175.554 175.900 -0.143 0.000 1.357 118 Y CA -1.567 56.420 58.100 -0.188 0.000 1.081 118 Y CB 0.320 38.700 38.460 -0.133 0.000 1.339 118 Y HN 0.508 nan 8.280 nan 0.000 0.469 119 N N 0.074 118.808 118.700 0.056 0.000 2.714 119 N HA -0.313 3.018 4.740 -2.348 0.000 0.252 119 N C -0.990 174.510 175.510 -0.016 0.000 1.014 119 N CA 1.148 54.193 53.050 -0.008 0.000 0.735 119 N CB -1.331 37.060 38.487 -0.160 0.000 0.924 119 N HN 0.839 nan 8.380 nan 0.000 0.540 120 Y N -0.046 120.203 120.300 -0.084 0.000 2.544 120 Y HA 0.278 3.419 4.550 -2.348 0.000 0.330 120 Y C 0.009 175.886 175.900 -0.038 0.000 1.136 120 Y CA -0.190 57.857 58.100 -0.088 0.000 1.417 120 Y CB 0.737 39.094 38.460 -0.172 0.000 1.229 120 Y HN -0.002 nan 8.280 nan 0.000 0.532 121 V N 8.066 127.683 119.914 -0.495 0.000 2.357 121 V HA 0.194 2.905 4.120 -2.348 0.000 0.281 121 V C -0.090 175.625 176.094 -0.633 0.000 1.015 121 V CA -1.408 60.633 62.300 -0.432 0.000 0.827 121 V CB 1.019 32.724 31.823 -0.195 0.000 1.018 121 V HN 0.783 nan 8.190 nan 0.000 0.432 122 K N 3.317 123.278 120.400 -0.732 0.000 2.494 122 K HA 0.089 3.000 4.320 -2.348 0.000 0.273 122 K C 0.332 176.761 176.600 -0.285 0.000 0.970 122 K CA 0.585 56.612 56.287 -0.433 0.000 0.963 122 K CB 0.914 33.364 32.500 -0.083 0.000 0.913 122 K HN 0.825 nan 8.250 nan 0.000 0.502 123 Q N 1.925 121.559 119.800 -0.278 0.000 3.016 123 Q HA 0.200 3.131 4.340 -2.348 0.000 0.209 123 Q C -0.174 175.631 176.000 -0.324 0.000 1.139 123 Q CA -0.581 54.866 55.803 -0.593 0.000 0.342 123 Q CB 0.228 28.437 28.738 -0.883 0.000 5.522 123 Q HN 0.700 nan 8.270 nan 0.000 0.305 124 W N 0.691 122.013 121.300 0.037 0.000 1.746 124 W HA 0.354 3.605 4.660 -2.348 0.000 0.569 124 W C 1.744 178.270 176.519 0.011 0.000 2.047 124 W CA -0.598 56.790 57.345 0.071 0.000 2.328 124 W CB -0.108 29.369 29.460 0.028 0.000 2.372 124 W HN 0.434 nan 8.180 nan 0.000 0.797 125 R N -0.648 119.958 120.500 0.177 0.000 2.091 125 R HA -0.184 2.748 4.340 -2.348 0.000 0.238 125 R C 1.737 177.886 176.300 -0.251 0.000 1.136 125 R CA 1.927 57.948 56.100 -0.131 0.000 0.959 125 R CB -0.389 29.668 30.300 -0.404 0.000 0.856 125 R HN 0.513 nan 8.270 nan 0.000 0.437 126 H N -1.589 117.592 119.070 0.184 0.000 2.927 126 H HA 0.167 3.314 4.556 -2.348 0.000 0.255 126 H C 0.618 176.096 175.328 0.251 0.000 0.974 126 H CA 0.463 56.646 56.048 0.226 0.000 1.199 126 H CB 0.262 30.127 29.762 0.172 0.000 1.447 126 H HN 0.138 nan 8.280 nan 0.000 0.467 127 S N 1.240 116.991 115.700 0.086 0.000 2.601 127 S HA 0.442 3.503 4.470 -2.348 0.000 0.271 127 S C -0.335 174.184 174.600 -0.135 0.000 1.305 127 S CA -0.502 57.472 58.200 -0.376 0.000 1.022 127 S CB 0.990 63.422 63.200 -1.280 0.000 0.940 127 S HN 0.449 nan 8.310 nan 0.000 0.525 128 Y N -2.465 117.721 120.300 -0.190 0.000 2.774 128 Y HA 0.620 3.761 4.550 -2.348 0.000 0.346 128 Y C -0.922 174.957 175.900 -0.035 0.000 1.222 128 Y CA -1.180 56.798 58.100 -0.203 0.000 1.088 128 Y CB 0.280 38.589 38.460 -0.252 0.000 1.354 128 Y HN 0.780 nan 8.280 nan 0.000 0.455 129 T N 0.206 114.810 114.554 0.083 0.000 2.945 129 T HA 0.996 3.937 4.350 -2.348 0.000 0.286 129 T C -0.452 174.337 174.700 0.148 0.000 1.025 129 T CA -0.232 61.927 62.100 0.098 0.000 1.039 129 T CB 1.716 70.585 68.868 0.001 0.000 1.068 129 T HN 1.702 nan 8.240 nan 0.000 0.497 130 A N 0.938 123.809 122.820 0.085 0.000 2.599 130 A HA 0.678 3.589 4.320 -2.348 0.000 0.294 130 A C -0.406 176.939 177.584 -0.399 0.000 1.055 130 A CA -0.995 50.942 52.037 -0.167 0.000 0.683 130 A CB 0.946 19.829 19.000 -0.195 0.000 1.278 130 A HN 0.755 nan 8.150 nan 0.000 0.412 131 S N 0.001 115.270 115.700 -0.719 0.000 2.601 131 S HA 0.740 3.802 4.470 -2.348 0.000 0.271 131 S C -1.067 172.894 174.600 -1.065 0.000 1.305 131 S CA 0.119 57.798 58.200 -0.869 0.000 1.022 131 S CB 0.317 62.687 63.200 -1.384 0.000 0.940 131 S HN 0.474 nan 8.310 nan 0.000 0.525 132 Y N -0.259 119.831 120.300 -0.349 0.000 2.524 132 Y HA 0.519 3.660 4.550 -2.348 0.000 0.347 132 Y C -0.008 175.925 175.900 0.056 0.000 1.005 132 Y CA -0.856 57.179 58.100 -0.109 0.000 1.025 132 Y CB 1.986 40.332 38.460 -0.190 0.000 1.275 132 Y HN 0.571 nan 8.280 nan 0.000 0.460 133 D N 1.712 122.303 120.400 0.317 0.000 2.602 133 D HA 0.561 3.792 4.640 -2.348 0.000 0.236 133 D C -1.334 175.087 176.300 0.201 0.000 1.209 133 D CA -0.401 53.754 54.000 0.259 0.000 0.831 133 D CB 3.124 44.165 40.800 0.402 0.000 1.478 133 D HN 0.373 nan 8.370 nan 0.000 0.438 134 I N 1.438 122.124 120.570 0.193 0.000 2.498 134 I HA 0.264 3.026 4.170 -2.348 0.000 0.290 134 I C -1.221 175.091 176.117 0.325 0.000 1.032 134 I CA -0.859 60.590 61.300 0.249 0.000 1.073 134 I CB 1.987 40.102 38.000 0.191 0.000 1.251 134 I HN 0.267 nan 8.210 nan 0.000 0.426 135 Y N 4.997 125.445 120.300 0.246 0.000 2.341 135 Y HA 0.286 3.427 4.550 -2.348 0.000 0.337 135 Y C -0.083 175.983 175.900 0.278 0.000 1.014 135 Y CA -0.558 57.696 58.100 0.256 0.000 1.111 135 Y CB 1.209 39.850 38.460 0.302 0.000 1.194 135 Y HN 0.461 nan 8.280 nan 0.000 0.462 136 D N 6.251 126.527 120.400 -0.207 0.000 2.374 136 D HA 0.065 3.296 4.640 -2.348 0.000 0.240 136 D C 0.732 176.786 176.300 -0.410 0.000 1.229 136 D CA 0.411 54.247 54.000 -0.274 0.000 0.895 136 D CB 0.782 41.469 40.800 -0.189 0.000 1.046 136 D HN 0.863 nan 8.370 nan 0.000 0.498 137 L N 3.778 124.822 121.223 -0.298 0.000 2.046 137 L HA -0.133 2.798 4.340 -2.348 0.000 0.208 137 L C 2.227 178.957 176.870 -0.233 0.000 1.077 137 L CA 0.730 55.473 54.840 -0.161 0.000 0.747 137 L CB -0.205 41.760 42.059 -0.157 0.000 0.896 137 L HN 0.462 nan 8.230 nan 0.000 0.432 138 N N -0.209 118.289 118.700 -0.335 0.000 2.331 138 N HA -0.136 3.195 4.740 -2.348 0.000 0.180 138 N C 1.299 176.686 175.510 -0.205 0.000 1.019 138 N CA 1.026 53.923 53.050 -0.254 0.000 0.881 138 N CB 0.192 38.515 38.487 -0.273 0.000 0.972 138 N HN 0.327 nan 8.380 nan 0.000 0.435 139 K N 0.433 120.690 120.400 -0.239 0.000 2.358 139 K HA 0.231 3.142 4.320 -2.348 0.000 0.200 139 K C -0.409 176.073 176.600 -0.197 0.000 1.030 139 K CA -0.219 55.959 56.287 -0.183 0.000 1.097 139 K CB 0.698 33.105 32.500 -0.156 0.000 0.862 139 K HN -0.019 nan 8.250 nan 0.000 0.534 140 R N 1.339 121.699 120.500 -0.233 0.000 3.092 140 R HA -0.225 2.706 4.340 -2.348 0.000 0.245 140 R C -0.721 175.398 176.300 -0.301 0.000 0.881 140 R CA 0.650 56.646 56.100 -0.172 0.000 0.614 140 R CB -1.402 28.903 30.300 0.008 0.000 1.128 140 R HN 0.264 nan 8.270 nan 0.000 0.483 141 Q N 0.148 119.474 119.800 -0.789 0.000 2.353 141 Q HA 0.411 3.342 4.340 -2.348 0.000 0.275 141 Q C -1.056 174.625 176.000 -0.532 0.000 1.029 141 Q CA -0.762 54.778 55.803 -0.438 0.000 0.848 141 Q CB 1.421 30.036 28.738 -0.206 0.000 1.390 141 Q HN 0.143 nan 8.270 nan 0.000 0.401 142 L N 2.437 123.630 121.223 -0.050 0.000 2.436 142 L HA 0.369 3.300 4.340 -2.348 0.000 0.265 142 L C -0.242 176.661 176.870 0.055 0.000 1.168 142 L CA -0.070 54.851 54.840 0.134 0.000 0.815 142 L CB 0.705 42.914 42.059 0.251 0.000 1.109 142 L HN 0.754 nan 8.230 nan 0.000 0.462 143 I N 1.293 121.917 120.570 0.090 0.000 2.301 143 I HA 0.068 2.829 4.170 -2.348 0.000 0.292 143 I C 1.402 177.541 176.117 0.037 0.000 1.046 143 I CA 0.270 61.605 61.300 0.058 0.000 1.282 143 I CB 1.311 39.352 38.000 0.069 0.000 1.409 143 I HN 0.785 nan 8.210 nan 0.000 0.484 144 T N 2.124 116.688 114.554 0.017 0.000 2.852 144 T HA 0.142 3.083 4.350 -2.348 0.000 0.256 144 T C 0.653 175.343 174.700 -0.017 0.000 1.038 144 T CA 0.196 62.297 62.100 0.001 0.000 1.141 144 T CB -0.277 68.590 68.868 -0.002 0.000 0.869 144 T HN 0.453 nan 8.240 nan 0.000 0.439 145 E N 1.782 121.971 120.200 -0.019 0.000 2.343 145 E HA 0.274 3.216 4.350 -2.348 0.000 0.269 145 E C -0.200 176.368 176.600 -0.053 0.000 1.047 145 E CA -0.455 55.924 56.400 -0.034 0.000 0.874 145 E CB 0.382 30.066 29.700 -0.027 0.000 1.033 145 E HN 0.224 nan 8.360 nan 0.000 0.409 146 E N 0.898 121.054 120.200 -0.073 0.000 2.476 146 E HA -0.244 2.697 4.350 -2.348 0.000 0.251 146 E C -0.645 175.875 176.600 -0.133 0.000 1.130 146 E CA 0.627 56.965 56.400 -0.103 0.000 0.736 146 E CB -1.491 28.154 29.700 -0.091 0.000 1.298 146 E HN 0.512 nan 8.360 nan 0.000 0.400 147 R N -0.198 120.224 120.500 -0.129 0.000 2.811 147 R HA 0.224 3.155 4.340 -2.348 0.000 0.265 147 R C 1.169 177.315 176.300 -0.257 0.000 1.026 147 R CA 0.004 56.017 56.100 -0.145 0.000 1.142 147 R CB 0.354 30.595 30.300 -0.099 0.000 1.027 147 R HN 0.131 nan 8.270 nan 0.000 0.465 148 I N 4.331 124.717 120.570 -0.306 0.000 2.556 148 I HA 0.065 2.826 4.170 -2.348 0.000 0.284 148 I C -1.500 174.343 176.117 -0.456 0.000 1.114 148 I CA -1.602 59.374 61.300 -0.540 0.000 1.418 148 I CB 0.749 38.405 38.000 -0.573 0.000 1.394 148 I HN 0.404 nan 8.210 nan 0.000 0.552 149 P HA 0.068 nan 4.420 nan 0.000 0.272 149 P C -0.914 176.202 177.300 -0.308 0.000 1.230 149 P CA -0.424 62.344 63.100 -0.554 0.000 0.788 149 P CB 0.449 31.491 31.700 -1.098 0.000 0.949 150 N N 1.409 120.006 118.700 -0.171 0.000 2.381 150 N HA -0.047 3.284 4.740 -2.348 0.000 0.241 150 N C 0.486 176.067 175.510 0.119 0.000 1.279 150 N CA 0.490 53.503 53.050 -0.062 0.000 0.896 150 N CB -0.677 37.786 38.487 -0.041 0.000 1.118 150 N HN 0.482 nan 8.380 nan 0.000 0.438 151 N N -1.776 116.983 118.700 0.098 0.000 2.869 151 N HA -0.154 3.178 4.740 -2.348 0.000 0.249 151 N C -1.119 174.555 175.510 0.274 0.000 1.104 151 N CA 0.529 53.678 53.050 0.165 0.000 0.760 151 N CB -1.061 37.536 38.487 0.184 0.000 1.108 151 N HN 0.449 nan 8.380 nan 0.000 0.555 152 T N 0.463 115.178 114.554 0.268 0.000 2.870 152 T HA 0.080 3.021 4.350 -2.348 0.000 0.300 152 T C 1.381 176.223 174.700 0.236 0.000 0.989 152 T CA 0.099 62.367 62.100 0.282 0.000 1.139 152 T CB 1.254 70.190 68.868 0.113 0.000 0.920 152 T HN 0.161 nan 8.240 nan 0.000 0.537 153 Q N 1.783 121.710 119.800 0.211 0.000 2.302 153 Q HA 0.158 3.090 4.340 -2.348 0.000 0.202 153 Q C 0.149 176.307 176.000 0.263 0.000 0.936 153 Q CA 0.430 56.376 55.803 0.239 0.000 0.886 153 Q CB 0.734 29.583 28.738 0.185 0.000 0.986 153 Q HN 0.691 nan 8.270 nan 0.000 0.487 154 W N -0.422 120.826 121.300 -0.087 0.000 3.298 154 W HA 0.441 3.692 4.660 -2.348 0.000 0.302 154 W C -2.240 174.162 176.519 -0.195 0.000 1.255 154 W CA -0.596 56.648 57.345 -0.168 0.000 1.196 154 W CB 1.099 30.405 29.460 -0.257 0.000 1.364 154 W HN -0.364 nan 8.180 nan 0.000 0.566 155 V N 2.663 121.945 119.914 -1.053 0.000 3.007 155 V HA 0.778 3.490 4.120 -2.348 0.000 0.311 155 V C -0.457 175.183 176.094 -0.756 0.000 1.120 155 V CA -0.644 61.190 62.300 -0.777 0.000 0.980 155 V CB 1.945 33.140 31.823 -1.046 0.000 1.033 155 V HN 0.500 nan 8.190 nan 0.000 0.429 156 T N 1.906 116.272 114.554 -0.313 0.000 3.159 156 T HA 0.441 3.383 4.350 -2.348 0.000 0.343 156 T C -1.984 172.749 174.700 0.055 0.000 1.364 156 T CA -0.389 61.682 62.100 -0.049 0.000 1.102 156 T CB 0.742 69.827 68.868 0.362 0.000 1.263 156 T HN 0.516 nan 8.240 nan 0.000 0.477 157 W N 3.661 125.020 121.300 0.098 0.000 2.218 157 W HA 0.484 3.735 4.660 -2.348 0.000 0.326 157 W C 1.276 177.564 176.519 -0.386 0.000 1.276 157 W CA -0.543 56.762 57.345 -0.066 0.000 1.210 157 W CB 0.732 30.160 29.460 -0.054 0.000 1.143 157 W HN 0.838 nan 8.180 nan 0.000 0.563 158 S N 2.279 117.515 115.700 -0.773 0.000 2.559 158 S HA 0.008 3.070 4.470 -2.348 0.000 0.282 158 S C -1.690 172.650 174.600 -0.434 0.000 1.336 158 S CA -0.764 56.603 58.200 -1.387 0.000 1.037 158 S CB 0.707 63.090 63.200 -1.363 0.000 0.853 158 S HN 0.335 nan 8.310 nan 0.000 0.523 159 P HA 0.069 nan 4.420 nan 0.000 0.223 159 P C 0.393 177.646 177.300 -0.078 0.000 1.151 159 P CA 0.639 63.698 63.100 -0.068 0.000 0.787 159 P CB -0.232 31.471 31.700 0.005 0.000 0.788 160 V N -5.876 113.957 119.914 -0.135 0.000 3.001 160 V HA 0.896 3.607 4.120 -2.348 0.000 0.314 160 V C 0.453 176.466 176.094 -0.136 0.000 1.099 160 V CA -0.234 62.007 62.300 -0.099 0.000 0.989 160 V CB 1.008 32.792 31.823 -0.066 0.000 1.040 160 V HN 0.422 nan 8.190 nan 0.000 0.434 161 G N 2.522 111.275 108.800 -0.079 0.000 2.528 161 G HA2 -0.161 2.390 3.960 -2.348 0.000 0.262 161 G HA3 -0.161 2.390 3.960 -2.348 0.000 0.262 161 G C 0.154 175.045 174.900 -0.015 0.000 1.200 161 G CA 0.658 45.716 45.100 -0.070 0.000 0.951 161 G HN 2.555 nan 8.290 nan 0.000 0.566 162 H N -0.579 118.484 119.070 -0.012 0.000 3.074 162 H HA 0.505 3.652 4.556 -2.348 0.000 0.227 162 H C 0.179 175.623 175.328 0.194 0.000 1.365 162 H CA -0.201 55.902 56.048 0.092 0.000 1.078 162 H CB -0.315 29.509 29.762 0.105 0.000 2.347 162 H HN 0.491 nan 8.280 nan 0.000 0.567 163 K N 1.255 121.620 120.400 -0.058 0.000 2.237 163 K HA 0.355 3.266 4.320 -2.348 0.000 0.270 163 K C -0.735 175.885 176.600 0.034 0.000 1.015 163 K CA -0.583 55.658 56.287 -0.077 0.000 0.949 163 K CB 1.118 33.435 32.500 -0.305 0.000 0.976 163 K HN 0.058 nan 8.250 nan 0.000 0.472 164 L N 1.779 123.083 121.223 0.136 0.000 2.362 164 L HA 0.642 3.573 4.340 -2.348 0.000 0.271 164 L C -1.334 175.736 176.870 0.334 0.000 1.002 164 L CA -0.264 54.631 54.840 0.091 0.000 0.818 164 L CB 1.876 43.874 42.059 -0.102 0.000 1.298 164 L HN 0.749 nan 8.230 nan 0.000 0.420 165 A N 3.665 126.676 122.820 0.319 0.000 2.398 165 A HA 0.788 3.700 4.320 -2.348 0.000 0.301 165 A C -1.887 175.756 177.584 0.097 0.000 1.041 165 A CA -0.398 51.746 52.037 0.179 0.000 0.711 165 A CB 1.161 20.213 19.000 0.087 0.000 1.240 165 A HN 0.741 nan 8.150 nan 0.000 0.420 166 Y N -0.354 119.918 120.300 -0.048 0.000 2.544 166 Y HA 0.731 3.872 4.550 -2.348 0.000 0.342 166 Y C -1.434 174.476 175.900 0.017 0.000 1.062 166 Y CA -1.504 56.547 58.100 -0.082 0.000 1.023 166 Y CB 1.036 39.374 38.460 -0.202 0.000 1.308 166 Y HN 0.431 nan 8.280 nan 0.000 0.457 167 V N 2.896 122.933 119.914 0.206 0.000 2.459 167 V HA 0.399 3.110 4.120 -2.348 0.000 0.295 167 V C -1.374 174.916 176.094 0.326 0.000 1.029 167 V CA -0.616 61.779 62.300 0.159 0.000 0.874 167 V CB 1.329 33.163 31.823 0.018 0.000 0.985 167 V HN 0.890 nan 8.190 nan 0.000 0.438 168 W N 5.082 126.449 121.300 0.111 0.000 2.968 168 W HA 0.461 3.712 4.660 -2.348 0.000 0.337 168 W C 0.183 176.729 176.519 0.044 0.000 1.060 168 W CA -0.653 56.723 57.345 0.053 0.000 1.240 168 W CB 1.190 30.637 29.460 -0.023 0.000 1.370 168 W HN 0.794 nan 8.180 nan 0.000 0.459 169 N N 5.496 123.855 118.700 -0.568 0.000 2.725 169 N HA -0.320 3.011 4.740 -2.348 0.000 0.251 169 N C -0.014 175.350 175.510 -0.244 0.000 1.031 169 N CA 0.863 53.587 53.050 -0.543 0.000 0.720 169 N CB -0.900 37.068 38.487 -0.864 0.000 0.930 169 N HN 0.695 nan 8.380 nan 0.000 0.543 170 N N -1.615 116.994 118.700 -0.151 0.000 2.828 170 N HA -0.160 3.171 4.740 -2.348 0.000 0.248 170 N C -1.135 174.326 175.510 -0.082 0.000 1.044 170 N CA 1.667 54.650 53.050 -0.112 0.000 0.851 170 N CB -0.543 37.833 38.487 -0.184 0.000 1.136 170 N HN 0.588 nan 8.380 nan 0.000 0.572 171 D N -0.145 120.228 120.400 -0.045 0.000 2.299 171 D HA 0.511 3.742 4.640 -2.348 0.000 0.243 171 D C 0.567 176.796 176.300 -0.118 0.000 0.982 171 D CA -0.408 53.520 54.000 -0.120 0.000 0.924 171 D CB 1.366 42.066 40.800 -0.166 0.000 1.238 171 D HN -0.017 nan 8.370 nan 0.000 0.484 172 I N 1.442 121.785 120.570 -0.377 0.000 2.359 172 I HA 0.267 3.029 4.170 -2.348 0.000 0.294 172 I C -0.748 175.001 176.117 -0.613 0.000 0.987 172 I CA -0.569 60.478 61.300 -0.421 0.000 1.225 172 I CB 0.787 38.434 38.000 -0.589 0.000 1.366 172 I HN 0.169 nan 8.210 nan 0.000 0.466 173 Y N 4.276 124.183 120.300 -0.654 0.000 2.499 173 Y HA 0.657 3.798 4.550 -2.348 0.000 0.347 173 Y C -0.369 175.170 175.900 -0.602 0.000 0.987 173 Y CA -0.964 56.691 58.100 -0.742 0.000 1.044 173 Y CB 2.302 39.987 38.460 -1.293 0.000 1.245 173 Y HN 0.119 nan 8.280 nan 0.000 0.461 174 V N 2.856 122.690 119.914 -0.133 0.000 2.638 174 V HA 0.423 3.134 4.120 -2.348 0.000 0.306 174 V C -1.027 175.164 176.094 0.162 0.000 1.052 174 V CA -1.384 60.947 62.300 0.052 0.000 0.885 174 V CB 2.021 33.911 31.823 0.113 0.000 0.999 174 V HN 0.632 nan 8.190 nan 0.000 0.424 175 K N 4.608 125.109 120.400 0.168 0.000 2.307 175 K HA 0.513 3.424 4.320 -2.348 0.000 0.263 175 K C 0.332 177.022 176.600 0.150 0.000 0.973 175 K CA -0.773 55.582 56.287 0.114 0.000 0.846 175 K CB 1.987 34.524 32.500 0.062 0.000 1.100 175 K HN 0.378 nan 8.250 nan 0.000 0.438 176 I N 1.205 121.881 120.570 0.177 0.000 2.286 176 I HA -0.083 2.678 4.170 -2.348 0.000 0.245 176 I C 0.629 176.786 176.117 0.067 0.000 1.104 176 I CA 1.533 62.917 61.300 0.140 0.000 1.397 176 I CB -0.339 37.776 38.000 0.191 0.000 1.072 176 I HN 0.609 nan 8.210 nan 0.000 0.417 177 E N 0.069 120.307 120.200 0.062 0.000 2.244 177 E HA 0.278 3.219 4.350 -2.348 0.000 0.266 177 E C -1.816 174.761 176.600 -0.038 0.000 0.914 177 E CA -1.978 54.452 56.400 0.049 0.000 0.794 177 E CB 1.306 31.046 29.700 0.066 0.000 1.210 177 E HN -0.095 nan 8.360 nan 0.000 0.414 178 P HA -0.096 nan 4.420 nan 0.000 0.219 178 P C 0.482 177.712 177.300 -0.117 0.000 1.150 178 P CA 1.126 64.110 63.100 -0.194 0.000 0.814 178 P CB 0.215 31.654 31.700 -0.434 0.000 0.787 179 N N -0.846 117.804 118.700 -0.084 0.000 2.380 179 N HA 0.140 3.471 4.740 -2.348 0.000 0.255 179 N C -0.504 174.980 175.510 -0.043 0.000 1.158 179 N CA -0.070 52.952 53.050 -0.047 0.000 0.878 179 N CB -0.363 38.117 38.487 -0.011 0.000 1.138 179 N HN 0.042 nan 8.380 nan 0.000 0.509 180 L N 0.277 121.466 121.223 -0.057 0.000 2.333 180 L HA 0.613 3.544 4.340 -2.348 0.000 0.269 180 L C -2.285 174.516 176.870 -0.115 0.000 1.010 180 L CA -2.145 52.652 54.840 -0.071 0.000 0.818 180 L CB 1.733 43.758 42.059 -0.057 0.000 1.306 180 L HN -0.097 nan 8.230 nan 0.000 0.430 181 P HA 0.060 nan 4.420 nan 0.000 0.265 181 P C -0.830 176.300 177.300 -0.283 0.000 1.187 181 P CA 0.104 63.099 63.100 -0.176 0.000 0.766 181 P CB 0.367 31.969 31.700 -0.164 0.000 0.820 182 S N 1.704 117.301 115.700 -0.172 0.000 2.580 182 S HA 0.257 3.319 4.470 -2.348 0.000 0.274 182 S C -0.413 174.055 174.600 -0.221 0.000 1.329 182 S CA -0.118 58.008 58.200 -0.124 0.000 1.036 182 S CB -0.106 63.169 63.200 0.125 0.000 0.919 182 S HN 0.230 nan 8.310 nan 0.000 0.515 183 Y N 1.172 121.486 120.300 0.023 0.000 2.326 183 Y HA 0.355 3.496 4.550 -2.348 0.000 0.337 183 Y C 0.909 176.696 175.900 -0.188 0.000 1.023 183 Y CA -0.629 57.451 58.100 -0.033 0.000 1.143 183 Y CB 0.507 38.952 38.460 -0.025 0.000 1.183 183 Y HN 0.436 nan 8.280 nan 0.000 0.485 184 R N 3.802 124.202 120.500 -0.167 0.000 2.316 184 R HA 0.162 3.093 4.340 -2.348 0.000 0.314 184 R C 0.186 176.199 176.300 -0.479 0.000 1.069 184 R CA 0.008 55.674 56.100 -0.724 0.000 0.959 184 R CB 0.419 30.128 30.300 -0.986 0.000 0.987 184 R HN 0.758 nan 8.270 nan 0.000 0.446 185 I N 1.929 122.150 120.570 -0.580 0.000 2.628 185 I HA -0.043 2.718 4.170 -2.348 0.000 0.255 185 I C 1.272 177.211 176.117 -0.297 0.000 1.119 185 I CA 1.078 62.171 61.300 -0.346 0.000 1.448 185 I CB -0.751 37.007 38.000 -0.404 0.000 1.133 185 I HN 0.537 nan 8.210 nan 0.000 0.438 186 T N -3.654 110.610 114.554 -0.483 0.000 2.932 186 T HA 0.410 3.351 4.350 -2.348 0.000 0.289 186 T C -0.553 173.911 174.700 -0.392 0.000 1.039 186 T CA -0.470 61.458 62.100 -0.287 0.000 1.024 186 T CB 2.001 70.686 68.868 -0.306 0.000 1.090 186 T HN 0.197 nan 8.240 nan 0.000 0.496 187 W N 0.121 121.328 121.300 -0.156 0.000 2.284 187 W HA 0.256 3.508 4.660 -2.348 0.000 0.334 187 W C 1.728 178.209 176.519 -0.063 0.000 0.917 187 W CA -0.164 57.122 57.345 -0.099 0.000 1.621 187 W CB 0.385 29.797 29.460 -0.079 0.000 1.129 187 W HN 0.956 nan 8.180 nan 0.000 0.528 188 T N -3.456 111.160 114.554 0.103 0.000 2.985 188 T HA 0.305 3.246 4.350 -2.348 0.000 0.254 188 T C 1.244 175.964 174.700 0.033 0.000 1.021 188 T CA 0.271 62.417 62.100 0.075 0.000 0.957 188 T CB -0.097 68.812 68.868 0.070 0.000 1.047 188 T HN -0.027 nan 8.240 nan 0.000 0.511 189 G N 1.481 110.275 108.800 -0.010 0.000 2.287 189 G HA2 0.355 2.906 3.960 -2.348 0.000 0.235 189 G HA3 0.355 2.906 3.960 -2.348 0.000 0.235 189 G C -0.610 174.251 174.900 -0.065 0.000 1.258 189 G CA -0.247 44.824 45.100 -0.048 0.000 0.884 189 G HN 0.675 nan 8.290 nan 0.000 0.518 190 K N 1.461 121.799 120.400 -0.103 0.000 2.550 190 K HA 0.210 3.121 4.320 -2.348 0.000 0.252 190 K C -0.257 176.239 176.600 -0.173 0.000 0.943 190 K CA -0.674 55.552 56.287 -0.103 0.000 0.806 190 K CB 1.577 34.054 32.500 -0.038 0.000 1.289 190 K HN 0.510 nan 8.250 nan 0.000 0.435 191 E N 3.050 123.155 120.200 -0.157 0.000 2.585 191 E HA -0.117 2.824 4.350 -2.348 0.000 0.252 191 E C -0.554 175.974 176.600 -0.121 0.000 0.981 191 E CA 1.144 57.446 56.400 -0.164 0.000 0.943 191 E CB 0.240 29.872 29.700 -0.113 0.000 0.923 191 E HN 0.709 nan 8.360 nan 0.000 0.486 192 D N 2.197 122.503 120.400 -0.157 0.000 2.978 192 D HA -0.255 2.977 4.640 -2.348 0.000 0.205 192 D C 0.787 177.167 176.300 0.134 0.000 1.093 192 D CA 1.625 55.654 54.000 0.050 0.000 1.006 192 D CB -0.913 39.950 40.800 0.105 0.000 1.116 192 D HN 0.502 nan 8.370 nan 0.000 0.419 193 I N -1.021 119.556 120.570 0.011 0.000 3.518 193 I HA 0.069 2.830 4.170 -2.348 0.000 0.260 193 I C 0.569 176.811 176.117 0.208 0.000 1.148 193 I CA 0.010 61.396 61.300 0.143 0.000 1.440 193 I CB 0.504 38.553 38.000 0.082 0.000 1.485 193 I HN -0.162 nan 8.210 nan 0.000 0.456 194 I N 1.630 122.230 120.570 0.049 0.000 2.362 194 I HA 0.265 3.026 4.170 -2.348 0.000 0.289 194 I C -1.370 174.772 176.117 0.043 0.000 0.994 194 I CA -0.550 60.834 61.300 0.141 0.000 1.158 194 I CB 0.797 38.852 38.000 0.091 0.000 1.315 194 I HN 0.045 nan 8.210 nan 0.000 0.451 195 Y N 4.599 125.007 120.300 0.180 0.000 2.345 195 Y HA 0.382 3.524 4.550 -2.348 0.000 0.331 195 Y C 0.053 176.048 175.900 0.158 0.000 0.959 195 Y CA -0.933 57.281 58.100 0.190 0.000 1.204 195 Y CB 0.985 39.637 38.460 0.319 0.000 1.135 195 Y HN 0.466 nan 8.280 nan 0.000 0.477 196 N N 1.403 120.195 118.700 0.154 0.000 2.444 196 N HA 0.488 3.819 4.740 -2.348 0.000 0.262 196 N C 0.752 176.228 175.510 -0.055 0.000 0.974 196 N CA 0.206 53.289 53.050 0.056 0.000 0.933 196 N CB 1.649 40.083 38.487 -0.088 0.000 1.137 196 N HN 0.861 nan 8.380 nan 0.000 0.498 197 G N 1.512 110.291 108.800 -0.035 0.000 2.205 197 G HA2 -0.259 2.292 3.960 -2.348 0.000 0.261 197 G HA3 -0.259 2.292 3.960 -2.348 0.000 0.261 197 G C 0.090 174.839 174.900 -0.251 0.000 0.980 197 G CA 0.647 45.630 45.100 -0.195 0.000 0.632 197 G HN 0.627 nan 8.290 nan 0.000 0.533 198 I N -1.327 119.181 120.570 -0.104 0.000 2.828 198 I HA 0.812 3.573 4.170 -2.348 0.000 0.302 198 I C 0.418 176.601 176.117 0.110 0.000 1.101 198 I CA -0.615 60.545 61.300 -0.233 0.000 1.031 198 I CB 1.975 39.667 38.000 -0.513 0.000 1.231 198 I HN 0.174 nan 8.210 nan 0.000 0.427 199 T N -0.193 114.351 114.554 -0.017 0.000 2.816 199 T HA 0.367 3.309 4.350 -2.348 0.000 0.282 199 T C -0.138 174.445 174.700 -0.195 0.000 0.993 199 T CA -0.512 61.447 62.100 -0.235 0.000 0.994 199 T CB 1.242 70.081 68.868 -0.048 0.000 1.025 199 T HN 0.793 nan 8.240 nan 0.000 0.529 200 D N -0.548 119.488 120.400 -0.608 0.000 2.530 200 D HA 0.096 3.327 4.640 -2.348 0.000 0.282 200 D C 0.947 177.228 176.300 -0.032 0.000 1.204 200 D CA -1.040 52.653 54.000 -0.511 0.000 1.093 200 D CB -0.211 40.053 40.800 -0.894 0.000 1.154 200 D HN 0.647 nan 8.370 nan 0.000 0.593 201 W N -0.040 121.231 121.300 -0.048 0.000 2.379 201 W HA -0.138 3.113 4.660 -2.349 0.000 0.307 201 W C 2.116 178.544 176.519 -0.151 0.000 1.200 201 W CA 2.738 60.048 57.345 -0.058 0.000 1.297 201 W CB -0.340 29.034 29.460 -0.144 0.000 1.140 201 W HN 0.189 nan 8.180 nan 0.000 0.507 202 V N -1.814 118.132 119.914 0.054 0.000 2.427 202 V HA -0.287 2.425 4.120 -2.348 0.000 0.248 202 V C 1.794 177.692 176.094 -0.327 0.000 1.051 202 V CA 1.656 63.865 62.300 -0.151 0.000 1.048 202 V CB -1.748 29.982 31.823 -0.156 0.000 0.666 202 V HN 0.230 nan 8.190 nan 0.000 0.456 203 Y N 1.163 121.271 120.300 -0.320 0.000 2.314 203 Y HA -0.078 3.064 4.550 -2.348 0.000 0.293 203 Y C 2.782 178.570 175.900 -0.186 0.000 1.129 203 Y CA 1.950 59.860 58.100 -0.317 0.000 1.201 203 Y CB -0.054 38.121 38.460 -0.475 0.000 0.999 203 Y HN 0.369 nan 8.280 nan 0.000 0.541 204 E N 0.449 120.616 120.200 -0.055 0.000 2.007 204 E HA -0.293 2.648 4.350 -2.348 0.000 0.194 204 E C 2.061 178.606 176.600 -0.091 0.000 0.999 204 E CA 1.559 57.955 56.400 -0.006 0.000 0.811 204 E CB -0.076 29.619 29.700 -0.008 0.000 0.762 204 E HN 0.358 nan 8.360 nan 0.000 0.450 205 E N 0.012 119.958 120.200 -0.423 0.000 2.106 205 E HA -0.175 2.766 4.350 -2.348 0.000 0.192 205 E C 1.580 178.059 176.600 -0.202 0.000 0.984 205 E CA 1.589 57.732 56.400 -0.428 0.000 0.806 205 E CB 0.198 29.294 29.700 -1.008 0.000 0.750 205 E HN 0.268 nan 8.360 nan 0.000 0.458 206 E N -1.184 118.867 120.200 -0.248 0.000 2.453 206 E HA 0.109 3.050 4.350 -2.348 0.000 0.211 206 E C 1.730 178.181 176.600 -0.249 0.000 0.897 206 E CA 0.409 56.698 56.400 -0.185 0.000 1.063 206 E CB 0.901 30.465 29.700 -0.227 0.000 1.080 206 E HN 0.180 nan 8.360 nan 0.000 0.512 207 V N -0.135 119.566 119.914 -0.355 0.000 2.735 207 V HA 0.039 2.751 4.120 -2.348 0.000 0.234 207 V C 1.431 177.308 176.094 -0.363 0.000 1.121 207 V CA 0.823 62.831 62.300 -0.487 0.000 1.160 207 V CB -0.267 31.063 31.823 -0.823 0.000 0.908 207 V HN 0.021 nan 8.190 nan 0.000 0.495 208 F N 0.752 120.728 119.950 0.044 0.000 2.776 208 F HA 0.283 3.401 4.527 -2.348 0.000 0.300 208 F C 1.569 177.355 175.800 -0.023 0.000 1.116 208 F CA -0.026 58.011 58.000 0.063 0.000 1.375 208 F CB -0.662 38.414 39.000 0.126 0.000 1.109 208 F HN 0.064 nan 8.300 nan 0.000 0.585 209 S N 0.555 116.307 115.700 0.087 0.000 3.486 209 S HA -0.042 3.019 4.470 -2.348 0.000 0.371 209 S C 0.198 174.508 174.600 -0.483 0.000 1.001 209 S CA 0.483 58.642 58.200 -0.068 0.000 1.164 209 S CB -1.724 61.456 63.200 -0.034 0.000 0.911 209 S HN 0.616 nan 8.310 nan 0.000 0.472 210 A N -0.755 121.985 122.820 -0.134 0.000 2.589 210 A HA 0.677 3.588 4.320 -2.348 0.000 0.296 210 A C -0.175 177.429 177.584 0.033 0.000 1.062 210 A CA -0.556 51.391 52.037 -0.150 0.000 0.686 210 A CB 0.528 19.438 19.000 -0.151 0.000 1.282 210 A HN 0.300 nan 8.150 nan 0.000 0.404 211 Y N 1.777 121.961 120.300 -0.193 0.000 2.220 211 Y HA 0.008 3.149 4.550 -2.348 0.000 0.291 211 Y C 1.728 177.366 175.900 -0.437 0.000 1.129 211 Y CA 1.311 59.281 58.100 -0.217 0.000 1.161 211 Y CB 0.262 38.629 38.460 -0.156 0.000 0.997 211 Y HN 0.724 nan 8.280 nan 0.000 0.522 212 S N 0.711 115.880 115.700 -0.885 0.000 2.533 212 S HA 0.301 3.362 4.470 -2.348 0.000 0.282 212 S C 0.058 174.125 174.600 -0.889 0.000 1.304 212 S CA 0.016 57.486 58.200 -1.217 0.000 1.063 212 S CB 0.999 63.085 63.200 -1.856 0.000 0.881 212 S HN 0.393 nan 8.310 nan 0.000 0.493 213 A N 6.099 128.422 122.820 -0.829 0.000 2.985 213 A HA 0.527 3.439 4.320 -2.348 0.000 0.303 213 A C -0.309 176.532 177.584 -1.239 0.000 1.048 213 A CA -0.563 50.869 52.037 -1.008 0.000 1.016 213 A CB -0.133 18.729 19.000 -0.230 0.000 1.118 213 A HN 0.767 nan 8.150 nan 0.000 0.529 214 L N -0.099 120.322 121.223 -1.336 0.000 2.333 214 L HA 0.656 3.587 4.340 -2.348 0.000 0.269 214 L C -1.011 175.294 176.870 -0.941 0.000 1.010 214 L CA -0.726 53.601 54.840 -0.855 0.000 0.818 214 L CB 1.994 43.769 42.059 -0.472 0.000 1.306 214 L HN 0.450 nan 8.230 nan 0.000 0.430 215 W N 1.624 122.914 121.300 -0.016 0.000 2.957 215 W HA 0.193 3.444 4.660 -2.348 0.000 0.327 215 W C -1.351 175.309 176.519 0.236 0.000 1.039 215 W CA -1.077 56.385 57.345 0.195 0.000 1.257 215 W CB 1.090 30.749 29.460 0.333 0.000 1.238 215 W HN 0.480 nan 8.180 nan 0.000 0.406 216 W N 2.429 123.888 121.300 0.265 0.000 2.170 216 W HA 0.268 3.519 4.660 -2.348 0.000 0.336 216 W C 1.326 177.589 176.519 -0.426 0.000 1.283 216 W CA 0.430 57.784 57.345 0.015 0.000 1.224 216 W CB 0.757 30.220 29.460 0.004 0.000 1.132 216 W HN 0.166 nan 8.180 nan 0.000 0.571 217 S N 2.267 117.614 115.700 -0.587 0.000 2.589 217 S HA 0.143 3.204 4.470 -2.348 0.000 0.265 217 S C -1.807 172.523 174.600 -0.450 0.000 1.342 217 S CA -0.946 56.437 58.200 -1.360 0.000 1.005 217 S CB 0.755 63.301 63.200 -1.090 0.000 0.909 217 S HN 0.290 nan 8.310 nan 0.000 0.555 218 P HA -0.097 nan 4.420 nan 0.000 0.216 218 P C 0.662 177.928 177.300 -0.056 0.000 1.150 218 P CA 1.320 64.378 63.100 -0.070 0.000 0.837 218 P CB -0.215 31.496 31.700 0.017 0.000 0.786 219 N N -1.605 117.045 118.700 -0.083 0.000 2.273 219 N HA 0.160 3.491 4.740 -2.348 0.000 0.231 219 N C 0.928 176.371 175.510 -0.112 0.000 1.134 219 N CA 0.083 53.084 53.050 -0.082 0.000 0.856 219 N CB -0.966 37.484 38.487 -0.062 0.000 1.068 219 N HN 0.084 nan 8.380 nan 0.000 0.510 220 G N -0.526 108.224 108.800 -0.083 0.000 2.203 220 G HA2 -0.352 2.199 3.960 -2.348 0.000 0.263 220 G HA3 -0.352 2.199 3.960 -2.348 0.000 0.263 220 G C 0.814 175.762 174.900 0.080 0.000 1.012 220 G CA 1.017 46.121 45.100 0.007 0.000 0.749 220 G HN 0.403 nan 8.290 nan 0.000 0.512 221 T N -0.478 114.015 114.554 -0.102 0.000 2.770 221 T HA 0.235 3.176 4.350 -2.348 0.000 0.263 221 T C 0.779 175.278 174.700 -0.334 0.000 1.039 221 T CA 1.159 63.076 62.100 -0.305 0.000 1.142 221 T CB -0.027 68.495 68.868 -0.577 0.000 0.868 221 T HN 0.277 nan 8.240 nan 0.000 0.435 222 F N 0.461 120.434 119.950 0.039 0.000 2.458 222 F HA 0.631 3.749 4.527 -2.348 0.000 0.330 222 F C -0.254 175.568 175.800 0.037 0.000 1.082 222 F CA -1.924 56.129 58.000 0.088 0.000 0.995 222 F CB 1.129 40.268 39.000 0.232 0.000 1.170 222 F HN -0.109 nan 8.300 nan 0.000 0.478 223 L N 2.869 124.206 121.223 0.190 0.000 2.316 223 L HA 0.822 3.753 4.340 -2.348 0.000 0.280 223 L C -0.635 176.325 176.870 0.149 0.000 1.006 223 L CA -0.410 54.362 54.840 -0.114 0.000 0.836 223 L CB 0.690 42.433 42.059 -0.526 0.000 1.221 223 L HN 0.663 nan 8.230 nan 0.000 0.418 224 A N 4.952 127.950 122.820 0.297 0.000 2.312 224 A HA 0.769 3.681 4.320 -2.348 0.000 0.326 224 A C -1.352 176.372 177.584 0.233 0.000 1.172 224 A CA -0.288 51.865 52.037 0.195 0.000 0.821 224 A CB 0.576 19.773 19.000 0.327 0.000 1.166 224 A HN 0.891 nan 8.150 nan 0.000 0.493 225 Y N -1.323 118.801 120.300 -0.293 0.000 2.638 225 Y HA 0.766 3.907 4.550 -2.348 0.000 0.335 225 Y C -0.326 175.378 175.900 -0.327 0.000 1.155 225 Y CA -0.918 57.071 58.100 -0.184 0.000 1.046 225 Y CB 0.925 39.250 38.460 -0.225 0.000 1.303 225 Y HN 0.908 nan 8.280 nan 0.000 0.460 226 A N 2.088 124.939 122.820 0.052 0.000 2.320 226 A HA 0.644 3.555 4.320 -2.348 0.000 0.334 226 A C -1.130 176.348 177.584 -0.177 0.000 1.147 226 A CA -0.836 51.097 52.037 -0.174 0.000 0.820 226 A CB 1.671 20.563 19.000 -0.180 0.000 1.218 226 A HN 0.806 nan 8.150 nan 0.000 0.482 227 Q N 0.732 120.342 119.800 -0.317 0.000 2.337 227 Q HA 0.630 3.561 4.340 -2.348 0.000 0.266 227 Q C -2.069 173.645 176.000 -0.477 0.000 1.023 227 Q CA -0.395 55.322 55.803 -0.143 0.000 0.829 227 Q CB 1.194 30.068 28.738 0.226 0.000 1.306 227 Q HN 0.600 nan 8.270 nan 0.000 0.449 228 F N 2.384 122.441 119.950 0.178 0.000 2.482 228 F HA 0.389 3.507 4.527 -2.348 0.000 0.331 228 F C 0.220 176.167 175.800 0.245 0.000 1.115 228 F CA -0.957 57.117 58.000 0.122 0.000 0.955 228 F CB 1.549 40.519 39.000 -0.050 0.000 1.136 228 F HN 0.426 nan 8.300 nan 0.000 0.452 229 N N 1.928 120.841 118.700 0.355 0.000 2.479 229 N HA 0.230 3.561 4.740 -2.348 0.000 0.261 229 N C -0.935 174.740 175.510 0.276 0.000 0.979 229 N CA -0.361 52.863 53.050 0.290 0.000 0.930 229 N CB 1.048 39.653 38.487 0.197 0.000 1.172 229 N HN 0.513 nan 8.380 nan 0.000 0.499 230 D N 1.893 122.477 120.400 0.307 0.000 2.501 230 D HA 0.181 3.412 4.640 -2.348 0.000 0.226 230 D C 0.953 177.373 176.300 0.200 0.000 1.198 230 D CA 0.107 54.268 54.000 0.268 0.000 0.830 230 D CB 0.547 41.570 40.800 0.372 0.000 1.014 230 D HN 0.502 nan 8.370 nan 0.000 0.496 231 T N 0.140 114.792 114.554 0.164 0.000 2.652 231 T HA -0.148 2.793 4.350 -2.348 0.000 0.267 231 T C 1.198 175.959 174.700 0.102 0.000 1.039 231 T CA 1.173 63.346 62.100 0.122 0.000 1.153 231 T CB 0.038 68.966 68.868 0.101 0.000 0.863 231 T HN 0.272 nan 8.240 nan 0.000 0.428 232 E N 0.799 121.057 120.200 0.097 0.000 2.437 232 E HA 0.204 3.145 4.350 -2.348 0.000 0.195 232 E C -0.650 176.001 176.600 0.085 0.000 1.029 232 E CA -0.241 56.205 56.400 0.078 0.000 0.948 232 E CB 0.539 30.277 29.700 0.063 0.000 1.082 232 E HN 0.216 nan 8.360 nan 0.000 0.456 233 V N 3.333 123.311 119.914 0.106 0.000 2.488 233 V HA 0.133 2.844 4.120 -2.348 0.000 0.277 233 V C -1.915 174.240 176.094 0.101 0.000 1.046 233 V CA -1.646 60.721 62.300 0.112 0.000 0.986 233 V CB 0.295 32.202 31.823 0.139 0.000 0.989 233 V HN 0.074 nan 8.190 nan 0.000 0.475 234 P HA 0.347 nan 4.420 nan 0.000 0.272 234 P C -0.815 176.531 177.300 0.076 0.000 1.240 234 P CA -0.367 62.776 63.100 0.072 0.000 0.791 234 P CB 0.571 32.309 31.700 0.064 0.000 0.978 235 L N 1.100 122.346 121.223 0.037 0.000 2.325 235 L HA 0.498 3.430 4.340 -2.348 0.000 0.278 235 L C 0.325 177.158 176.870 -0.062 0.000 1.023 235 L CA -1.064 53.782 54.840 0.011 0.000 0.811 235 L CB 1.195 43.252 42.059 -0.003 0.000 1.249 235 L HN 0.269 nan 8.230 nan 0.000 0.431 236 I N 1.871 122.358 120.570 -0.139 0.000 2.440 236 I HA 0.255 3.016 4.170 -2.348 0.000 0.294 236 I C -0.397 175.582 176.117 -0.230 0.000 0.995 236 I CA 0.349 61.468 61.300 -0.301 0.000 1.306 236 I CB 0.887 38.449 38.000 -0.730 0.000 1.407 236 I HN 0.571 nan 8.210 nan 0.000 0.501 237 E N 7.160 127.241 120.200 -0.198 0.000 2.234 237 E HA 0.473 3.414 4.350 -2.348 0.000 0.266 237 E C -1.790 174.756 176.600 -0.089 0.000 0.877 237 E CA -0.555 55.732 56.400 -0.190 0.000 0.758 237 E CB 2.036 31.654 29.700 -0.135 0.000 1.170 237 E HN 0.567 nan 8.360 nan 0.000 0.415 238 Y N -1.558 118.661 120.300 -0.134 0.000 2.670 238 Y HA 0.586 3.728 4.550 -2.347 0.000 0.334 238 Y C -0.699 175.133 175.900 -0.114 0.000 1.185 238 Y CA -1.252 56.773 58.100 -0.124 0.000 1.053 238 Y CB 0.878 39.272 38.460 -0.109 0.000 1.298 238 Y HN 0.178 nan 8.280 nan 0.000 0.459 239 S N 1.340 117.061 115.700 0.034 0.000 2.554 239 S HA 0.562 3.623 4.470 -2.348 0.000 0.278 239 S C -1.571 172.887 174.600 -0.236 0.000 1.242 239 S CA -0.450 57.605 58.200 -0.241 0.000 1.051 239 S CB 0.456 63.374 63.200 -0.471 0.000 0.986 239 S HN 0.523 nan 8.310 nan 0.000 0.502 240 F N 2.186 121.871 119.950 -0.442 0.000 2.507 240 F HA 0.425 3.543 4.527 -2.348 0.000 0.328 240 F C -0.287 175.285 175.800 -0.380 0.000 1.136 240 F CA -0.679 57.140 58.000 -0.301 0.000 0.930 240 F CB 0.959 39.922 39.000 -0.061 0.000 1.166 240 F HN 0.694 nan 8.300 nan 0.000 0.436 241 Y N 2.671 122.772 120.300 -0.331 0.000 2.479 241 Y HA 0.125 3.266 4.550 -2.348 0.000 0.283 241 Y C 1.594 177.444 175.900 -0.083 0.000 1.109 241 Y CA 0.949 58.954 58.100 -0.157 0.000 1.239 241 Y CB -0.296 38.053 38.460 -0.185 0.000 1.108 241 Y HN 0.724 nan 8.280 nan 0.000 0.548 242 S N 0.313 115.973 115.700 -0.067 0.000 3.513 242 S HA -0.314 2.748 4.470 -2.348 0.000 0.636 242 S C -0.150 174.514 174.600 0.107 0.000 2.452 242 S CA 0.288 58.580 58.200 0.153 0.000 2.644 242 S CB -1.458 61.933 63.200 0.318 0.000 0.331 242 S HN 0.543 nan 8.310 nan 0.000 1.787 243 D N 1.431 121.906 120.400 0.125 0.000 2.443 243 D HA 0.173 3.404 4.640 -2.348 0.000 0.234 243 D C 1.617 177.957 176.300 0.067 0.000 1.172 243 D CA 0.880 54.931 54.000 0.085 0.000 0.878 243 D CB 0.454 41.303 40.800 0.083 0.000 1.204 243 D HN 0.656 nan 8.370 nan 0.000 0.453 244 E N 0.555 120.780 120.200 0.042 0.000 2.396 244 E HA -0.210 2.732 4.350 -2.348 0.000 0.200 244 E C 1.023 177.639 176.600 0.028 0.000 1.023 244 E CA 1.075 57.490 56.400 0.026 0.000 0.857 244 E CB -0.201 29.504 29.700 0.008 0.000 0.775 244 E HN 0.324 nan 8.360 nan 0.000 0.525 245 S N 0.139 115.863 115.700 0.040 0.000 2.558 245 S HA 0.032 3.093 4.470 -2.348 0.000 0.217 245 S C 0.669 175.300 174.600 0.052 0.000 0.975 245 S CA -0.505 57.718 58.200 0.039 0.000 0.912 245 S CB -0.098 63.127 63.200 0.041 0.000 0.776 245 S HN 0.272 nan 8.310 nan 0.000 0.526 246 L N 2.484 123.748 121.223 0.067 0.000 2.315 246 L HA 0.381 3.312 4.340 -2.348 0.000 0.283 246 L C 1.297 178.209 176.870 0.071 0.000 1.089 246 L CA 0.101 54.993 54.840 0.087 0.000 0.833 246 L CB 0.902 43.028 42.059 0.112 0.000 1.170 246 L HN 0.235 nan 8.230 nan 0.000 0.442 247 Q N 3.781 123.628 119.800 0.077 0.000 2.083 247 Q HA -0.060 2.871 4.340 -2.348 0.000 0.198 247 Q C -0.502 175.431 176.000 -0.112 0.000 0.969 247 Q CA 1.300 57.097 55.803 -0.008 0.000 0.838 247 Q CB 0.125 28.881 28.738 0.031 0.000 0.900 247 Q HN 0.689 nan 8.270 nan 0.000 0.436 248 Y N 0.793 121.113 120.300 0.033 0.000 2.331 248 Y HA 0.366 3.507 4.550 -2.348 0.000 0.338 248 Y C -1.993 173.928 175.900 0.035 0.000 0.992 248 Y CA -2.915 55.203 58.100 0.030 0.000 1.121 248 Y CB 1.255 39.723 38.460 0.014 0.000 1.184 248 Y HN 0.181 nan 8.280 nan 0.000 0.469 249 P HA 0.050 nan 4.420 nan 0.000 0.270 249 P C -0.883 176.445 177.300 0.047 0.000 1.223 249 P CA -0.573 62.571 63.100 0.074 0.000 0.785 249 P CB 0.741 32.439 31.700 -0.004 0.000 0.923 250 K N 0.307 120.713 120.400 0.010 0.000 2.118 250 K HA 0.450 3.361 4.320 -2.348 0.000 0.254 250 K C -0.933 175.632 176.600 -0.058 0.000 0.961 250 K CA -0.496 55.794 56.287 0.005 0.000 0.876 250 K CB 0.763 33.290 32.500 0.045 0.000 1.077 250 K HN 0.306 nan 8.250 nan 0.000 0.440 251 T N 2.568 117.072 114.554 -0.084 0.000 2.756 251 T HA 0.242 3.183 4.350 -2.348 0.000 0.290 251 T C -0.401 174.177 174.700 -0.204 0.000 0.985 251 T CA -0.720 61.292 62.100 -0.147 0.000 0.955 251 T CB 1.081 69.876 68.868 -0.122 0.000 0.930 251 T HN 0.335 nan 8.240 nan 0.000 0.451 252 V N 4.796 124.491 119.914 -0.365 0.000 2.649 252 V HA 0.399 3.110 4.120 -2.348 0.000 0.292 252 V C 0.528 176.367 176.094 -0.425 0.000 1.055 252 V CA -0.482 61.554 62.300 -0.439 0.000 1.023 252 V CB 0.677 32.050 31.823 -0.749 0.000 0.992 252 V HN 0.733 nan 8.190 nan 0.000 0.480 253 R N 2.986 123.357 120.500 -0.214 0.000 2.473 253 R HA 0.664 3.596 4.340 -2.348 0.000 0.303 253 R C -1.705 174.588 176.300 -0.012 0.000 1.002 253 R CA -0.481 55.541 56.100 -0.130 0.000 0.884 253 R CB 2.111 32.366 30.300 -0.075 0.000 1.173 253 R HN 0.539 nan 8.270 nan 0.000 0.464 254 V N 4.314 124.224 119.914 -0.005 0.000 2.444 254 V HA 0.347 3.059 4.120 -2.348 0.000 0.294 254 V C -2.295 173.866 176.094 0.112 0.000 1.022 254 V CA -2.527 59.841 62.300 0.113 0.000 0.850 254 V CB 1.983 33.850 31.823 0.074 0.000 0.992 254 V HN 0.595 nan 8.190 nan 0.000 0.426 255 P HA 0.129 nan 4.420 nan 0.000 0.262 255 P C -1.191 176.233 177.300 0.206 0.000 1.199 255 P CA 0.481 63.697 63.100 0.193 0.000 0.763 255 P CB -0.198 31.651 31.700 0.249 0.000 0.790 256 Y N 5.844 126.148 120.300 0.007 0.000 2.274 256 Y HA 0.333 3.474 4.550 -2.349 0.000 0.323 256 Y C -2.743 173.149 175.900 -0.013 0.000 1.171 256 Y CA -2.516 55.543 58.100 -0.067 0.000 1.163 256 Y CB 1.998 40.309 38.460 -0.249 0.000 1.183 256 Y HN 0.287 nan 8.280 nan 0.000 0.424 257 P HA 0.274 nan 4.420 nan 0.000 0.292 257 P C -1.136 176.241 177.300 0.129 0.000 1.326 257 P CA -0.260 62.900 63.100 0.099 0.000 0.787 257 P CB 1.447 33.180 31.700 0.054 0.000 0.903 258 K N 1.946 122.490 120.400 0.240 0.000 2.107 258 K HA 0.520 3.431 4.320 -2.348 0.000 0.251 258 K C 0.510 177.213 176.600 0.172 0.000 1.012 258 K CA -0.736 55.704 56.287 0.254 0.000 0.920 258 K CB 0.624 33.284 32.500 0.267 0.000 1.033 258 K HN 0.455 nan 8.250 nan 0.000 0.478 259 A N 1.013 123.955 122.820 0.203 0.000 2.583 259 A HA 0.237 3.148 4.320 -2.348 0.000 0.249 259 A C 1.235 178.861 177.584 0.071 0.000 1.035 259 A CA 1.167 53.309 52.037 0.176 0.000 0.777 259 A CB -1.260 17.919 19.000 0.299 0.000 0.942 259 A HN 0.924 nan 8.150 nan 0.000 0.516 260 G N 1.193 110.024 108.800 0.053 0.000 2.268 260 G HA2 0.113 2.664 3.960 -2.348 0.000 0.240 260 G HA3 0.113 2.664 3.960 -2.348 0.000 0.240 260 G C 0.780 175.698 174.900 0.031 0.000 1.010 260 G CA 0.663 45.770 45.100 0.011 0.000 0.618 260 G HN 2.244 nan 8.290 nan 0.000 0.516 261 A N 0.010 122.864 122.820 0.057 0.000 2.346 261 A HA 0.664 3.575 4.320 -2.348 0.000 0.255 261 A C 1.102 178.721 177.584 0.058 0.000 1.113 261 A CA 0.619 52.693 52.037 0.062 0.000 0.798 261 A CB 0.576 19.629 19.000 0.088 0.000 1.073 261 A HN 1.893 nan 8.150 nan 0.000 0.502 262 V N 1.545 121.494 119.914 0.058 0.000 2.470 262 V HA 0.249 2.961 4.120 -2.348 0.000 0.276 262 V C -0.005 176.134 176.094 0.075 0.000 1.040 262 V CA -0.553 61.781 62.300 0.055 0.000 1.008 262 V CB -0.127 31.726 31.823 0.050 0.000 0.990 262 V HN 0.777 nan 8.190 nan 0.000 0.477 263 N N 7.131 125.874 118.700 0.072 0.000 2.463 263 N HA 0.548 3.880 4.740 -2.348 0.000 0.270 263 N C -2.570 173.020 175.510 0.133 0.000 1.205 263 N CA -1.522 51.593 53.050 0.108 0.000 0.974 263 N CB 0.890 39.442 38.487 0.109 0.000 1.197 263 N HN 0.612 nan 8.380 nan 0.000 0.504 264 P HA 0.062 nan 4.420 nan 0.000 0.269 264 P C -0.423 177.028 177.300 0.251 0.000 1.209 264 P CA -0.072 63.181 63.100 0.255 0.000 0.776 264 P CB 0.223 32.133 31.700 0.350 0.000 0.876 265 T N -1.295 113.384 114.554 0.208 0.000 2.952 265 T HA 0.574 3.515 4.350 -2.348 0.000 0.286 265 T C -0.391 174.421 174.700 0.186 0.000 1.024 265 T CA -0.893 61.288 62.100 0.136 0.000 1.029 265 T CB 1.552 70.462 68.868 0.070 0.000 1.094 265 T HN 0.297 nan 8.240 nan 0.000 0.515 266 V N 1.075 121.071 119.914 0.136 0.000 2.623 266 V HA 0.608 3.319 4.120 -2.348 0.000 0.304 266 V C -1.200 174.945 176.094 0.086 0.000 1.054 266 V CA -0.777 61.548 62.300 0.042 0.000 0.882 266 V CB 1.806 33.687 31.823 0.096 0.000 1.002 266 V HN 0.999 nan 8.190 nan 0.000 0.424 267 K N 5.039 125.403 120.400 -0.060 0.000 2.208 267 K HA 0.617 3.528 4.320 -2.348 0.000 0.247 267 K C -1.603 174.813 176.600 -0.307 0.000 0.953 267 K CA -0.533 55.665 56.287 -0.148 0.000 0.837 267 K CB 2.507 34.907 32.500 -0.167 0.000 1.131 267 K HN 0.570 nan 8.250 nan 0.000 0.431 268 F N 2.344 121.902 119.950 -0.653 0.000 2.520 268 F HA 0.544 3.662 4.527 -2.348 0.000 0.322 268 F C -1.383 173.799 175.800 -1.030 0.000 1.103 268 F CA -0.625 56.990 58.000 -0.641 0.000 0.926 268 F CB 0.849 39.660 39.000 -0.316 0.000 1.154 268 F HN 0.399 nan 8.300 nan 0.000 0.453 269 F N 3.485 122.723 119.950 -1.187 0.000 2.640 269 F HA 0.793 3.912 4.527 -2.348 0.000 0.324 269 F C -1.007 174.241 175.800 -0.921 0.000 1.077 269 F CA -1.232 56.206 58.000 -0.938 0.000 0.965 269 F CB 2.137 40.489 39.000 -1.080 0.000 1.351 269 F HN 0.095 nan 8.300 nan 0.000 0.487 270 V N 2.146 121.912 119.914 -0.248 0.000 2.567 270 V HA 0.426 3.137 4.120 -2.348 0.000 0.298 270 V C -1.221 174.963 176.094 0.150 0.000 1.047 270 V CA -0.751 61.464 62.300 -0.142 0.000 0.880 270 V CB 1.844 33.350 31.823 -0.527 0.000 1.009 270 V HN 0.605 nan 8.190 nan 0.000 0.429 271 V N 4.563 124.625 119.914 0.246 0.000 2.547 271 V HA 0.600 3.312 4.120 -2.348 0.000 0.299 271 V C -0.046 176.283 176.094 0.392 0.000 1.040 271 V CA -0.478 61.987 62.300 0.275 0.000 0.913 271 V CB 1.993 33.916 31.823 0.167 0.000 0.992 271 V HN 0.905 nan 8.190 nan 0.000 0.449 272 N N 3.778 122.718 118.700 0.399 0.000 2.402 272 N HA 0.148 3.480 4.740 -2.348 0.000 0.252 272 N C 1.170 176.743 175.510 0.105 0.000 1.118 272 N CA 0.618 53.862 53.050 0.322 0.000 0.945 272 N CB 1.420 40.091 38.487 0.306 0.000 1.147 272 N HN 0.907 nan 8.380 nan 0.000 0.495 273 T N -0.198 114.394 114.554 0.064 0.000 2.995 273 T HA -0.052 2.889 4.350 -2.348 0.000 0.269 273 T C 0.855 175.545 174.700 -0.017 0.000 1.091 273 T CA 0.783 62.909 62.100 0.042 0.000 1.128 273 T CB 0.070 69.049 68.868 0.185 0.000 0.891 273 T HN 0.254 nan 8.240 nan 0.000 0.492 274 D N 2.075 122.446 120.400 -0.049 0.000 2.269 274 D HA 0.001 3.233 4.640 -2.348 0.000 0.208 274 D C 1.877 178.140 176.300 -0.061 0.000 0.963 274 D CA 1.204 55.166 54.000 -0.063 0.000 0.864 274 D CB -0.132 40.611 40.800 -0.095 0.000 0.936 274 D HN 0.665 nan 8.370 nan 0.000 0.505 275 S N -0.414 115.256 115.700 -0.050 0.000 2.575 275 S HA 0.186 3.247 4.470 -2.348 0.000 0.237 275 S C 0.481 175.027 174.600 -0.090 0.000 0.975 275 S CA -0.620 57.556 58.200 -0.041 0.000 0.960 275 S CB 0.191 63.400 63.200 0.015 0.000 0.822 275 S HN -0.120 nan 8.310 nan 0.000 0.472 276 L N 2.707 123.818 121.223 -0.188 0.000 2.499 276 L HA 0.447 3.378 4.340 -2.348 0.000 0.281 276 L C 0.587 177.234 176.870 -0.372 0.000 1.234 276 L CA 0.639 55.253 54.840 -0.377 0.000 0.839 276 L CB 0.654 42.253 42.059 -0.768 0.000 1.104 276 L HN 0.448 nan 8.230 nan 0.000 0.500 277 S N -0.045 115.477 115.700 -0.296 0.000 2.546 277 S HA 0.432 3.493 4.470 -2.348 0.000 0.274 277 S C 0.606 175.253 174.600 0.077 0.000 1.121 277 S CA -0.326 57.822 58.200 -0.087 0.000 0.887 277 S CB 1.536 64.724 63.200 -0.021 0.000 1.094 277 S HN 0.542 nan 8.310 nan 0.000 0.474 278 S N 1.884 117.700 115.700 0.193 0.000 2.461 278 S HA -0.042 3.019 4.470 -2.348 0.000 0.228 278 S C 1.594 176.282 174.600 0.147 0.000 1.005 278 S CA 1.113 59.458 58.200 0.242 0.000 0.942 278 S CB -0.161 63.158 63.200 0.199 0.000 0.776 278 S HN 1.034 nan 8.310 nan 0.000 0.514 279 V N -0.464 119.509 119.914 0.098 0.000 3.643 279 V HA 0.346 3.057 4.120 -2.348 0.000 0.280 279 V C 0.510 176.634 176.094 0.049 0.000 1.351 279 V CA 0.392 62.732 62.300 0.067 0.000 1.073 279 V CB -0.252 31.600 31.823 0.049 0.000 0.863 279 V HN 0.419 nan 8.190 nan 0.000 0.436 280 T N -0.824 113.761 114.554 0.051 0.000 2.916 280 T HA 0.493 3.435 4.350 -2.348 0.000 0.298 280 T C -0.621 174.107 174.700 0.046 0.000 1.031 280 T CA -0.633 61.484 62.100 0.030 0.000 0.993 280 T CB 1.751 70.628 68.868 0.015 0.000 1.045 280 T HN 0.170 nan 8.240 nan 0.000 0.454 281 N N 1.799 120.517 118.700 0.030 0.000 2.454 281 N HA 0.404 3.735 4.740 -2.348 0.000 0.254 281 N C 0.426 175.968 175.510 0.054 0.000 1.228 281 N CA -0.049 53.043 53.050 0.070 0.000 0.900 281 N CB 0.852 39.326 38.487 -0.022 0.000 1.089 281 N HN 1.017 nan 8.380 nan 0.000 0.449 282 A N 1.642 124.508 122.820 0.077 0.000 2.498 282 A HA 0.194 3.105 4.320 -2.348 0.000 0.239 282 A C 0.190 177.800 177.584 0.042 0.000 1.068 282 A CA 0.067 52.126 52.037 0.036 0.000 0.766 282 A CB -0.058 18.949 19.000 0.011 0.000 1.003 282 A HN 0.548 nan 8.150 nan 0.000 0.497 283 T N 3.085 117.671 114.554 0.053 0.000 2.762 283 T HA 0.337 3.278 4.350 -2.348 0.000 0.303 283 T C 0.350 175.110 174.700 0.100 0.000 0.977 283 T CA 0.060 62.201 62.100 0.068 0.000 0.961 283 T CB 0.358 69.277 68.868 0.085 0.000 0.944 283 T HN 0.566 nan 8.240 nan 0.000 0.481 284 S N 3.398 119.135 115.700 0.061 0.000 2.565 284 S HA 0.407 3.468 4.470 -2.348 0.000 0.276 284 S C 0.185 174.889 174.600 0.174 0.000 1.326 284 S CA -0.683 57.566 58.200 0.082 0.000 1.045 284 S CB 0.238 63.354 63.200 -0.141 0.000 0.918 284 S HN 0.470 nan 8.310 nan 0.000 0.505 285 I N 3.384 124.108 120.570 0.258 0.000 2.390 285 I HA 0.252 3.013 4.170 -2.348 0.000 0.283 285 I C 0.322 176.600 176.117 0.268 0.000 1.016 285 I CA -0.449 61.020 61.300 0.282 0.000 1.151 285 I CB 1.050 39.262 38.000 0.353 0.000 1.293 285 I HN 0.676 nan 8.210 nan 0.000 0.458 286 Q N 6.083 126.052 119.800 0.282 0.000 2.337 286 Q HA 0.331 3.263 4.340 -2.348 0.000 0.270 286 Q C -1.018 174.956 176.000 -0.044 0.000 1.002 286 Q CA 0.317 56.091 55.803 -0.047 0.000 0.888 286 Q CB 0.929 29.627 28.738 -0.066 0.000 1.222 286 Q HN 0.581 nan 8.270 nan 0.000 0.400 287 I N 4.613 125.127 120.570 -0.094 0.000 2.390 287 I HA 0.205 2.966 4.170 -2.348 0.000 0.283 287 I C 0.084 176.169 176.117 -0.054 0.000 1.016 287 I CA -0.750 60.535 61.300 -0.026 0.000 1.151 287 I CB 1.351 39.348 38.000 -0.005 0.000 1.293 287 I HN 0.739 nan 8.210 nan 0.000 0.458 288 T N 2.851 117.333 114.554 -0.120 0.000 2.860 288 T HA 0.558 3.500 4.350 -2.348 0.000 0.299 288 T C 0.457 174.904 174.700 -0.422 0.000 1.045 288 T CA -0.831 61.132 62.100 -0.229 0.000 1.071 288 T CB 1.330 70.077 68.868 -0.202 0.000 0.985 288 T HN 0.552 nan 8.240 nan 0.000 0.537 289 A N 2.662 124.982 122.820 -0.834 0.000 2.351 289 A HA 0.601 3.512 4.320 -2.348 0.000 0.257 289 A C -2.106 174.990 177.584 -0.814 0.000 1.087 289 A CA -1.658 49.500 52.037 -1.465 0.000 0.798 289 A CB -0.795 16.904 19.000 -2.168 0.000 1.033 289 A HN 0.726 nan 8.150 nan 0.000 0.488 290 P HA 0.133 nan 4.420 nan 0.000 0.269 290 P C 0.924 178.027 177.300 -0.328 0.000 1.217 290 P CA 0.684 63.554 63.100 -0.383 0.000 0.783 290 P CB 0.468 32.002 31.700 -0.277 0.000 0.898 291 A N 1.908 124.601 122.820 -0.211 0.000 1.917 291 A HA -0.232 2.679 4.320 -2.348 0.000 0.219 291 A C 2.058 179.552 177.584 -0.151 0.000 1.182 291 A CA 2.547 54.487 52.037 -0.163 0.000 0.633 291 A CB -1.895 17.039 19.000 -0.110 0.000 0.819 291 A HN 0.639 nan 8.150 nan 0.000 0.448 292 S N -1.302 114.326 115.700 -0.119 0.000 2.507 292 S HA -0.018 3.043 4.470 -2.348 0.000 0.235 292 S C 1.580 176.134 174.600 -0.077 0.000 0.988 292 S CA 1.372 59.537 58.200 -0.059 0.000 0.944 292 S CB -0.217 63.013 63.200 0.050 0.000 0.762 292 S HN 0.460 nan 8.310 nan 0.000 0.526 293 M N 0.256 119.731 119.600 -0.208 0.000 2.567 293 M HA 0.361 3.432 4.480 -2.348 0.000 0.261 293 M C 1.727 177.836 176.300 -0.319 0.000 1.180 293 M CA 0.493 55.613 55.300 -0.300 0.000 1.143 293 M CB -0.766 31.476 32.600 -0.597 0.000 1.319 293 M HN 0.325 nan 8.290 nan 0.000 0.490 294 L N 0.962 122.004 121.223 -0.301 0.000 2.156 294 L HA -0.079 2.852 4.340 -2.348 0.000 0.208 294 L C 2.392 179.235 176.870 -0.044 0.000 1.095 294 L CA 0.658 55.397 54.840 -0.169 0.000 0.770 294 L CB -0.679 41.270 42.059 -0.182 0.000 0.914 294 L HN 0.270 nan 8.230 nan 0.000 0.439 295 I N -2.078 118.456 120.570 -0.060 0.000 2.657 295 I HA 0.002 2.763 4.170 -2.348 0.000 0.261 295 I C 1.020 177.131 176.117 -0.010 0.000 1.212 295 I CA 0.821 62.100 61.300 -0.036 0.000 1.453 295 I CB -0.876 37.095 38.000 -0.049 0.000 1.092 295 I HN 0.136 nan 8.210 nan 0.000 0.452 296 G N 0.223 109.035 108.800 0.021 0.000 2.949 296 G HA2 0.353 2.905 3.960 -2.348 0.000 0.285 296 G HA3 0.353 2.905 3.960 -2.348 0.000 0.285 296 G C -1.682 173.263 174.900 0.074 0.000 1.395 296 G CA -0.532 44.584 45.100 0.028 0.000 0.901 296 G HN 0.031 nan 8.290 nan 0.000 0.519 297 D N 0.963 121.354 120.400 -0.015 0.000 2.455 297 D HA 0.351 3.583 4.640 -2.348 0.000 0.241 297 D C 0.516 176.733 176.300 -0.138 0.000 1.138 297 D CA 0.751 54.675 54.000 -0.127 0.000 0.877 297 D CB 0.364 41.068 40.800 -0.159 0.000 1.187 297 D HN 0.502 nan 8.370 nan 0.000 0.451 298 H N -0.394 118.547 119.070 -0.215 0.000 2.943 298 H HA 0.506 3.653 4.556 -2.348 0.000 0.323 298 H C -1.222 173.966 175.328 -0.233 0.000 1.296 298 H CA -0.850 55.081 56.048 -0.195 0.000 1.155 298 H CB 0.492 30.262 29.762 0.014 0.000 1.882 298 H HN 0.313 nan 8.280 nan 0.000 0.553 299 Y N -0.034 120.507 120.300 0.402 0.000 2.512 299 Y HA 0.354 3.495 4.550 -2.348 0.000 0.348 299 Y C -0.387 175.759 175.900 0.410 0.000 0.990 299 Y CA -1.175 57.148 58.100 0.370 0.000 1.033 299 Y CB 1.934 40.449 38.460 0.092 0.000 1.259 299 Y HN 0.445 nan 8.280 nan 0.000 0.461 300 L N 3.273 124.777 121.223 0.469 0.000 2.281 300 L HA 0.352 3.283 4.340 -2.348 0.000 0.285 300 L C 0.500 177.371 176.870 0.003 0.000 1.074 300 L CA -0.126 54.632 54.840 -0.137 0.000 0.817 300 L CB 0.301 42.196 42.059 -0.274 0.000 1.168 300 L HN 1.017 nan 8.230 nan 0.000 0.434 301 C N 0.947 120.142 119.300 -0.175 0.000 3.403 301 C HA 0.577 3.628 4.460 -2.348 0.000 0.317 301 C C 0.220 175.134 174.990 -0.125 0.000 1.346 301 C CA -0.248 58.644 59.018 -0.211 0.000 1.743 301 C CB -0.919 26.742 27.740 -0.132 0.000 2.308 301 C HN 0.862 nan 8.230 nan 0.000 0.675 302 D N -0.136 120.182 120.400 -0.137 0.000 2.886 302 D HA 0.576 3.808 4.640 -2.348 0.000 0.216 302 D C -1.470 174.615 176.300 -0.358 0.000 1.256 302 D CA -0.119 53.821 54.000 -0.100 0.000 0.844 302 D CB 2.351 43.075 40.800 -0.126 0.000 1.669 302 D HN 0.056 nan 8.370 nan 0.000 0.513 303 V N 2.679 122.323 119.914 -0.450 0.000 2.483 303 V HA 0.666 3.378 4.120 -2.348 0.000 0.297 303 V C -0.534 175.216 176.094 -0.574 0.000 1.027 303 V CA -0.467 61.340 62.300 -0.822 0.000 0.855 303 V CB 1.911 32.744 31.823 -1.650 0.000 0.995 303 V HN 0.708 nan 8.190 nan 0.000 0.424 304 T N 3.563 117.840 114.554 -0.462 0.000 3.050 304 T HA 0.309 3.251 4.350 -2.348 0.000 0.310 304 T C -0.798 173.760 174.700 -0.236 0.000 0.978 304 T CA -0.493 61.483 62.100 -0.206 0.000 1.013 304 T CB 0.589 69.414 68.868 -0.071 0.000 1.000 304 T HN 0.522 nan 8.240 nan 0.000 0.447 305 W N 2.157 123.390 121.300 -0.112 0.000 2.264 305 W HA 0.415 3.666 4.660 -2.348 0.000 0.331 305 W C 1.165 177.572 176.519 -0.188 0.000 1.364 305 W CA -0.256 57.025 57.345 -0.107 0.000 1.253 305 W CB 0.407 29.886 29.460 0.031 0.000 1.215 305 W HN 0.814 nan 8.180 nan 0.000 0.561 306 A N 2.138 124.851 122.820 -0.179 0.000 2.140 306 A HA 0.295 3.206 4.320 -2.348 0.000 0.209 306 A C 0.685 178.243 177.584 -0.043 0.000 1.181 306 A CA 1.267 53.018 52.037 -0.478 0.000 0.824 306 A CB -0.105 18.004 19.000 -1.485 0.000 0.879 306 A HN 0.550 nan 8.150 nan 0.000 0.480 307 T N -6.002 108.638 114.554 0.143 0.000 2.693 307 T HA 0.260 3.201 4.350 -2.348 0.000 0.304 307 T C 0.011 174.892 174.700 0.302 0.000 1.471 307 T CA -0.369 61.848 62.100 0.195 0.000 0.993 307 T CB 0.438 69.398 68.868 0.153 0.000 1.554 307 T HN -0.109 nan 8.240 nan 0.000 0.496 308 Q N 0.548 120.476 119.800 0.213 0.000 2.217 308 Q HA -0.128 2.803 4.340 -2.348 0.000 0.209 308 Q C 0.827 177.098 176.000 0.451 0.000 0.988 308 Q CA 1.916 57.847 55.803 0.213 0.000 0.878 308 Q CB -0.283 28.529 28.738 0.123 0.000 0.909 308 Q HN 0.861 nan 8.270 nan 0.000 0.424 309 E N -0.442 120.026 120.200 0.447 0.000 2.968 309 E HA 0.237 3.178 4.350 -2.348 0.000 0.202 309 E C -0.373 176.515 176.600 0.478 0.000 0.979 309 E CA -0.177 56.514 56.400 0.486 0.000 1.192 309 E CB 0.920 30.794 29.700 0.290 0.000 1.059 309 E HN -0.019 nan 8.360 nan 0.000 0.470 310 R N 1.651 122.453 120.500 0.503 0.000 2.512 310 R HA 0.476 3.408 4.340 -2.348 0.000 0.291 310 R C -1.864 174.440 176.300 0.008 0.000 1.097 310 R CA -0.420 55.825 56.100 0.242 0.000 0.940 310 R CB 1.160 31.494 30.300 0.056 0.000 1.198 310 R HN 0.112 nan 8.270 nan 0.000 0.429 311 I N 3.286 123.718 120.570 -0.230 0.000 2.545 311 I HA 0.468 3.229 4.170 -2.348 0.000 0.292 311 I C -0.985 174.815 176.117 -0.527 0.000 1.040 311 I CA -0.479 60.419 61.300 -0.670 0.000 1.068 311 I CB 2.172 39.335 38.000 -1.395 0.000 1.251 311 I HN 0.806 nan 8.210 nan 0.000 0.424 312 S N 7.928 123.309 115.700 -0.531 0.000 2.454 312 S HA 0.681 3.742 4.470 -2.348 0.000 0.306 312 S C -0.992 173.316 174.600 -0.486 0.000 1.100 312 S CA -0.839 57.131 58.200 -0.384 0.000 1.087 312 S CB 1.545 64.630 63.200 -0.192 0.000 1.019 312 S HN 0.444 nan 8.310 nan 0.000 0.480 313 L N 2.481 123.432 121.223 -0.452 0.000 2.346 313 L HA 0.561 3.492 4.340 -2.348 0.000 0.274 313 L C -0.012 176.610 176.870 -0.414 0.000 1.007 313 L CA -0.350 54.132 54.840 -0.597 0.000 0.818 313 L CB 1.478 43.145 42.059 -0.653 0.000 1.284 313 L HN 0.842 nan 8.230 nan 0.000 0.424 314 Q N 1.732 121.239 119.800 -0.489 0.000 2.333 314 Q HA 0.401 3.332 4.340 -2.348 0.000 0.268 314 Q C -1.576 174.214 176.000 -0.349 0.000 1.007 314 Q CA -0.440 55.190 55.803 -0.287 0.000 0.810 314 Q CB 2.175 30.790 28.738 -0.205 0.000 1.264 314 Q HN 0.446 nan 8.270 nan 0.000 0.452 315 W N 2.696 123.927 121.300 -0.114 0.000 2.639 315 W HA 0.638 3.889 4.660 -2.348 0.000 0.347 315 W C -0.683 175.834 176.519 -0.003 0.000 1.067 315 W CA -0.549 56.770 57.345 -0.042 0.000 1.218 315 W CB 1.148 30.554 29.460 -0.090 0.000 1.393 315 W HN 0.308 nan 8.180 nan 0.000 0.557 316 L N 2.852 124.274 121.223 0.332 0.000 2.410 316 L HA 0.526 3.457 4.340 -2.348 0.000 0.270 316 L C 0.017 177.056 176.870 0.281 0.000 0.983 316 L CA -1.100 53.896 54.840 0.260 0.000 0.822 316 L CB 1.612 43.828 42.059 0.263 0.000 1.285 316 L HN 0.481 nan 8.230 nan 0.000 0.409 317 R N 2.078 122.712 120.500 0.223 0.000 2.594 317 R HA 0.120 3.051 4.340 -2.348 0.000 0.272 317 R C 0.986 177.344 176.300 0.098 0.000 1.074 317 R CA -0.085 56.108 56.100 0.156 0.000 1.105 317 R CB 1.132 31.531 30.300 0.166 0.000 1.008 317 R HN 0.611 nan 8.270 nan 0.000 0.472 318 R N 2.055 122.520 120.500 -0.059 0.000 2.103 318 R HA -0.131 2.800 4.340 -2.348 0.000 0.242 318 R C 0.212 176.558 176.300 0.077 0.000 1.142 318 R CA 1.439 57.478 56.100 -0.102 0.000 0.960 318 R CB -0.153 30.034 30.300 -0.189 0.000 0.858 318 R HN 0.445 nan 8.270 nan 0.000 0.439 319 I N 2.478 123.080 120.570 0.053 0.000 2.483 319 I HA -0.043 2.718 4.170 -2.348 0.000 0.291 319 I C 0.327 176.503 176.117 0.098 0.000 1.112 319 I CA 0.768 62.106 61.300 0.064 0.000 1.350 319 I CB 1.103 39.128 38.000 0.041 0.000 1.419 319 I HN 0.198 nan 8.210 nan 0.000 0.523 320 Q N 5.031 124.891 119.800 0.100 0.000 2.414 320 Q HA 0.044 2.975 4.340 -2.348 0.000 0.286 320 Q C 0.666 176.743 176.000 0.129 0.000 0.941 320 Q CA -0.090 55.788 55.803 0.125 0.000 0.951 320 Q CB -0.282 28.504 28.738 0.080 0.000 1.188 320 Q HN 0.675 nan 8.270 nan 0.000 0.418 321 N N -0.481 118.294 118.700 0.125 0.000 2.236 321 N HA -0.067 3.264 4.740 -2.348 0.000 0.196 321 N C -0.873 174.748 175.510 0.185 0.000 1.114 321 N CA 0.005 53.122 53.050 0.111 0.000 0.859 321 N CB 0.325 38.850 38.487 0.064 0.000 0.982 321 N HN 0.221 nan 8.380 nan 0.000 0.493 322 Y N 1.026 121.347 120.300 0.035 0.000 2.362 322 Y HA 0.490 3.631 4.550 -2.348 0.000 0.326 322 Y C -1.336 174.596 175.900 0.053 0.000 1.083 322 Y CA -1.030 57.090 58.100 0.033 0.000 1.073 322 Y CB 1.448 39.919 38.460 0.019 0.000 1.211 322 Y HN 0.140 nan 8.280 nan 0.000 0.433 323 S N 4.051 119.568 115.700 -0.305 0.000 2.549 323 S HA 0.888 3.949 4.470 -2.348 0.000 0.280 323 S C -1.874 172.541 174.600 -0.308 0.000 1.109 323 S CA -0.844 57.246 58.200 -0.184 0.000 0.905 323 S CB 1.945 65.106 63.200 -0.065 0.000 1.081 323 S HN 0.434 nan 8.310 nan 0.000 0.477 324 V N 3.517 123.349 119.914 -0.137 0.000 2.483 324 V HA 0.467 3.178 4.120 -2.348 0.000 0.297 324 V C -0.346 175.747 176.094 -0.001 0.000 1.027 324 V CA -0.607 61.630 62.300 -0.106 0.000 0.855 324 V CB 1.705 33.478 31.823 -0.083 0.000 0.995 324 V HN 1.032 nan 8.190 nan 0.000 0.424 325 M N 4.296 123.879 119.600 -0.028 0.000 2.108 325 M HA 0.428 3.499 4.480 -2.348 0.000 0.354 325 M C -1.032 175.267 176.300 -0.001 0.000 1.229 325 M CA -0.170 55.104 55.300 -0.043 0.000 1.081 325 M CB 0.761 33.287 32.600 -0.124 0.000 1.606 325 M HN 0.571 nan 8.290 nan 0.000 0.467 326 D N 5.569 125.963 120.400 -0.011 0.000 2.163 326 D HA 0.501 3.732 4.640 -2.348 0.000 0.248 326 D C -0.896 175.365 176.300 -0.065 0.000 1.035 326 D CA -0.052 53.936 54.000 -0.020 0.000 0.872 326 D CB 1.750 42.546 40.800 -0.007 0.000 1.183 326 D HN 0.594 nan 8.370 nan 0.000 0.445 327 I N 2.154 122.709 120.570 -0.025 0.000 2.389 327 I HA 0.279 3.040 4.170 -2.348 0.000 0.288 327 I C -0.608 175.497 176.117 -0.020 0.000 0.999 327 I CA -0.498 60.780 61.300 -0.037 0.000 1.129 327 I CB 1.364 39.394 38.000 0.051 0.000 1.288 327 I HN 0.192 nan 8.210 nan 0.000 0.444 328 c N 3.999 122.577 118.600 -0.038 0.000 2.408 328 c HA 0.571 3.732 4.570 -2.348 0.000 0.321 328 c C -0.325 173.885 174.090 0.200 0.000 1.245 328 c CA -0.827 55.541 56.329 0.066 0.000 1.523 328 c CB 1.006 43.544 42.510 0.046 0.000 2.178 328 c HN 0.597 nan 8.230 nan 0.000 0.488 329 D N -0.017 120.497 120.400 0.190 0.000 2.326 329 D HA 0.365 3.597 4.640 -2.348 0.000 0.248 329 D C -0.811 175.489 176.300 0.000 0.000 1.001 329 D CA -0.216 53.874 54.000 0.150 0.000 0.961 329 D CB 0.763 41.596 40.800 0.055 0.000 1.183 329 D HN 0.601 nan 8.370 nan 0.000 0.502 330 Y N 0.550 120.558 120.300 -0.486 0.000 2.313 330 Y HA 0.271 3.413 4.550 -2.348 0.000 0.332 330 Y C -0.512 175.114 175.900 -0.458 0.000 1.071 330 Y CA -0.747 56.745 58.100 -1.013 0.000 1.169 330 Y CB 1.072 38.789 38.460 -1.239 0.000 1.192 330 Y HN 0.218 nan 8.280 nan 0.000 0.487 331 D N 4.795 124.645 120.400 -0.916 0.000 2.359 331 D HA 0.124 3.355 4.640 -2.348 0.000 0.230 331 D C 0.817 176.575 176.300 -0.904 0.000 1.118 331 D CA 0.022 53.634 54.000 -0.646 0.000 0.844 331 D CB 0.829 41.392 40.800 -0.395 0.000 1.059 331 D HN 0.782 nan 8.370 nan 0.000 0.493 332 E N 1.468 121.337 120.200 -0.553 0.000 2.058 332 E HA -0.205 2.736 4.350 -2.348 0.000 0.194 332 E C 1.588 178.053 176.600 -0.225 0.000 0.997 332 E CA 1.379 57.589 56.400 -0.316 0.000 0.801 332 E CB 0.195 29.856 29.700 -0.064 0.000 0.746 332 E HN 0.615 nan 8.360 nan 0.000 0.450 333 S N -0.388 115.199 115.700 -0.187 0.000 2.461 333 S HA -0.062 3.000 4.470 -2.348 0.000 0.228 333 S C 2.003 176.537 174.600 -0.110 0.000 1.005 333 S CA 1.043 59.178 58.200 -0.109 0.000 0.942 333 S CB 0.197 63.348 63.200 -0.082 0.000 0.776 333 S HN 0.224 nan 8.310 nan 0.000 0.514 334 S N 0.007 115.604 115.700 -0.171 0.000 2.527 334 S HA 0.543 3.604 4.470 -2.348 0.000 0.227 334 S C 1.729 176.255 174.600 -0.123 0.000 1.059 334 S CA 0.554 58.678 58.200 -0.126 0.000 0.919 334 S CB -0.263 62.864 63.200 -0.123 0.000 0.805 334 S HN 1.359 nan 8.310 nan 0.000 0.500 335 G N 1.823 110.466 108.800 -0.262 0.000 2.176 335 G HA2 -0.205 2.346 3.960 -2.348 0.000 0.232 335 G HA3 -0.205 2.346 3.960 -2.348 0.000 0.232 335 G C 0.123 174.956 174.900 -0.112 0.000 0.986 335 G CA -0.049 44.964 45.100 -0.145 0.000 0.643 335 G HN 0.648 nan 8.290 nan 0.000 0.522 336 R N -1.025 119.354 120.500 -0.202 0.000 2.607 336 R HA 0.629 3.560 4.340 -2.348 0.000 0.261 336 R C -0.594 175.587 176.300 -0.199 0.000 1.051 336 R CA -0.682 55.392 56.100 -0.044 0.000 1.110 336 R CB 0.805 31.110 30.300 0.008 0.000 1.158 336 R HN 0.146 nan 8.270 nan 0.000 0.543 337 W N 0.571 121.863 121.300 -0.013 0.000 2.496 337 W HA 0.355 3.607 4.660 -2.348 0.000 0.327 337 W C 0.222 176.715 176.519 -0.044 0.000 1.086 337 W CA -0.440 56.894 57.345 -0.019 0.000 1.222 337 W CB 0.951 30.402 29.460 -0.016 0.000 1.304 337 W HN 0.468 nan 8.180 nan 0.000 0.547 338 N N 2.364 121.150 118.700 0.143 0.000 2.531 338 N HA 0.338 3.669 4.740 -2.348 0.000 0.268 338 N C -1.509 174.034 175.510 0.055 0.000 1.023 338 N CA -0.531 52.554 53.050 0.059 0.000 0.896 338 N CB 0.603 39.088 38.487 -0.003 0.000 1.233 338 N HN 0.381 nan 8.380 nan 0.000 0.512 339 c N 5.029 123.648 118.600 0.031 0.000 2.289 339 c HA 0.314 3.475 4.570 -2.348 0.000 0.340 339 c C 0.918 175.000 174.090 -0.013 0.000 1.152 339 c CA -0.942 55.389 56.329 0.003 0.000 1.650 339 c CB -1.697 40.798 42.510 -0.025 0.000 2.203 339 c HN 0.570 nan 8.230 nan 0.000 0.511 340 L N 3.280 124.500 121.223 -0.006 0.000 2.462 340 L HA 0.048 2.979 4.340 -2.348 0.000 0.272 340 L C 1.503 178.356 176.870 -0.028 0.000 1.166 340 L CA 0.018 54.849 54.840 -0.015 0.000 0.880 340 L CB 0.520 42.576 42.059 -0.005 0.000 1.142 340 L HN 0.578 nan 8.230 nan 0.000 0.473 341 V N 3.423 123.314 119.914 -0.038 0.000 2.568 341 V HA -0.309 2.403 4.120 -2.348 0.000 0.253 341 V C 2.324 178.384 176.094 -0.056 0.000 1.072 341 V CA 2.032 64.303 62.300 -0.049 0.000 1.084 341 V CB -0.641 31.153 31.823 -0.049 0.000 0.676 341 V HN 1.036 nan 8.190 nan 0.000 0.469 342 A N -0.019 122.773 122.820 -0.047 0.000 1.933 342 A HA -0.193 2.718 4.320 -2.348 0.000 0.218 342 A C 2.315 179.851 177.584 -0.081 0.000 1.175 342 A CA 1.471 53.475 52.037 -0.055 0.000 0.628 342 A CB -0.391 18.588 19.000 -0.034 0.000 0.814 342 A HN 0.514 nan 8.150 nan 0.000 0.444 343 R N -0.226 120.243 120.500 -0.051 0.000 2.310 343 R HA 0.080 3.011 4.340 -2.348 0.000 0.202 343 R C 0.122 176.380 176.300 -0.071 0.000 0.933 343 R CA -0.098 55.983 56.100 -0.032 0.000 1.054 343 R CB -0.025 30.311 30.300 0.061 0.000 0.985 343 R HN 0.648 nan 8.270 nan 0.000 0.489 344 Q N 0.738 120.479 119.800 -0.098 0.000 2.349 344 Q HA -0.036 2.895 4.340 -2.348 0.000 0.287 344 Q C -0.810 175.066 176.000 -0.207 0.000 1.044 344 Q CA 0.972 56.726 55.803 -0.081 0.000 0.918 344 Q CB 0.477 29.171 28.738 -0.075 0.000 1.242 344 Q HN 0.216 nan 8.270 nan 0.000 0.405 345 H N 1.096 120.157 119.070 -0.016 0.000 2.589 345 H HA 0.425 3.572 4.556 -2.348 0.000 0.351 345 H C -0.792 174.500 175.328 -0.060 0.000 1.074 345 H CA -0.468 55.581 56.048 0.000 0.000 1.203 345 H CB 1.083 30.863 29.762 0.029 0.000 1.558 345 H HN 0.442 nan 8.280 nan 0.000 0.522 346 I N 2.276 122.868 120.570 0.037 0.000 2.353 346 I HA 0.225 2.986 4.170 -2.348 0.000 0.293 346 I C 0.004 176.081 176.117 -0.066 0.000 0.992 346 I CA -0.185 61.051 61.300 -0.107 0.000 1.268 346 I CB 1.244 39.175 38.000 -0.114 0.000 1.387 346 I HN 0.523 nan 8.210 nan 0.000 0.478 347 E N 8.022 128.129 120.200 -0.155 0.000 2.222 347 E HA 0.691 3.632 4.350 -2.348 0.000 0.267 347 E C -1.250 175.284 176.600 -0.110 0.000 0.884 347 E CA -0.752 55.607 56.400 -0.069 0.000 0.764 347 E CB 1.998 31.679 29.700 -0.032 0.000 1.169 347 E HN 0.593 nan 8.360 nan 0.000 0.413 348 M N 0.463 120.056 119.600 -0.011 0.000 2.644 348 M HA 0.532 3.603 4.480 -2.348 0.000 0.273 348 M C -1.401 174.917 176.300 0.030 0.000 1.253 348 M CA -0.928 54.401 55.300 0.049 0.000 0.852 348 M CB 2.181 34.889 32.600 0.180 0.000 1.708 348 M HN 0.279 nan 8.290 nan 0.000 0.471 349 S N -0.134 115.572 115.700 0.009 0.000 2.538 349 S HA 0.649 3.710 4.470 -2.348 0.000 0.288 349 S C 0.194 174.752 174.600 -0.070 0.000 1.108 349 S CA 0.065 58.227 58.200 -0.064 0.000 0.971 349 S CB 1.773 64.868 63.200 -0.175 0.000 1.041 349 S HN 0.899 nan 8.310 nan 0.000 0.483 350 T N -0.005 114.503 114.554 -0.077 0.000 3.105 350 T HA 0.160 3.101 4.350 -2.348 0.000 0.253 350 T C 1.188 175.822 174.700 -0.111 0.000 1.047 350 T CA 0.545 62.603 62.100 -0.069 0.000 0.944 350 T CB -0.199 68.646 68.868 -0.037 0.000 1.016 350 T HN 0.681 nan 8.240 nan 0.000 0.544 351 T N -3.096 111.334 114.554 -0.207 0.000 2.954 351 T HA 0.615 3.557 4.350 -2.348 0.000 0.252 351 T C 1.013 175.405 174.700 -0.512 0.000 0.983 351 T CA 0.401 62.350 62.100 -0.252 0.000 0.941 351 T CB 0.688 69.464 68.868 -0.154 0.000 1.141 351 T HN 0.540 nan 8.240 nan 0.000 0.500 352 G N 0.408 108.714 108.800 -0.824 0.000 2.694 352 G HA2 0.498 3.049 3.960 -2.348 0.000 0.246 352 G HA3 0.498 3.049 3.960 -2.348 0.000 0.246 352 G C -1.518 173.125 174.900 -0.429 0.000 1.205 352 G CA -0.556 44.010 45.100 -0.889 0.000 0.891 352 G HN 0.487 nan 8.290 nan 0.000 0.515 353 W N -0.443 120.699 121.300 -0.264 0.000 2.116 353 W HA 0.748 3.999 4.660 -2.350 0.000 0.374 353 W C -0.093 176.401 176.519 -0.042 0.000 1.445 353 W CA -1.127 56.142 57.345 -0.127 0.000 1.582 353 W CB 0.595 29.953 29.460 -0.170 0.000 1.263 353 W HN 0.443 nan 8.180 nan 0.000 0.683 354 V N 2.433 122.424 119.914 0.128 0.000 2.435 354 V HA 0.796 3.507 4.120 -2.348 0.000 0.290 354 V C 0.361 176.526 176.094 0.117 0.000 1.030 354 V CA 0.240 62.563 62.300 0.040 0.000 0.881 354 V CB 0.454 32.302 31.823 0.042 0.000 0.983 354 V HN 1.703 nan 8.190 nan 0.000 0.445 355 G N 6.083 114.912 108.800 0.049 0.000 2.829 355 G HA2 -0.205 2.346 3.960 -2.348 0.000 0.628 355 G HA3 -0.205 2.346 3.960 -2.348 0.000 0.628 355 G C 0.255 175.244 174.900 0.148 0.000 1.412 355 G CA 0.336 45.494 45.100 0.097 0.000 0.864 355 G HN 0.932 nan 8.290 nan 0.000 0.544 356 R N -0.757 119.830 120.500 0.145 0.000 2.062 356 R HA 0.135 3.066 4.340 -2.348 0.000 0.229 356 R C 1.851 178.094 176.300 -0.096 0.000 1.128 356 R CA 2.167 58.308 56.100 0.069 0.000 0.960 356 R CB -0.082 30.283 30.300 0.108 0.000 0.855 356 R HN 0.502 nan 8.270 nan 0.000 0.432 357 F N -0.899 119.175 119.950 0.206 0.000 2.871 357 F HA 0.271 3.389 4.527 -2.349 0.000 0.344 357 F C 0.109 175.927 175.800 0.031 0.000 1.078 357 F CA -0.595 57.465 58.000 0.100 0.000 1.149 357 F CB 0.805 39.860 39.000 0.092 0.000 1.087 357 F HN -0.124 nan 8.300 nan 0.000 0.557 358 R N -1.552 119.089 120.500 0.235 0.000 2.765 358 R HA 0.435 3.366 4.340 -2.348 0.000 0.277 358 R C -3.372 172.997 176.300 0.114 0.000 1.028 358 R CA -1.981 54.188 56.100 0.115 0.000 0.860 358 R CB -0.048 30.275 30.300 0.038 0.000 1.270 358 R HN -0.376 nan 8.270 nan 0.000 0.484 359 P HA -0.017 nan 4.420 nan 0.000 0.267 359 P C -0.431 176.899 177.300 0.050 0.000 1.201 359 P CA -0.009 63.117 63.100 0.043 0.000 0.775 359 P CB 0.706 32.404 31.700 -0.002 0.000 0.854 360 S N 1.190 116.923 115.700 0.054 0.000 2.592 360 S HA 0.133 3.195 4.470 -2.348 0.000 0.271 360 S C 0.011 174.633 174.600 0.037 0.000 1.326 360 S CA -0.638 57.611 58.200 0.080 0.000 1.024 360 S CB 0.041 63.304 63.200 0.105 0.000 0.921 360 S HN 0.434 nan 8.310 nan 0.000 0.527 361 E N 4.149 124.391 120.200 0.071 0.000 2.331 361 E HA 0.356 3.298 4.350 -2.348 0.000 0.272 361 E C -2.794 173.805 176.600 -0.002 0.000 1.036 361 E CA -2.157 54.244 56.400 0.002 0.000 0.864 361 E CB 0.527 30.232 29.700 0.008 0.000 1.035 361 E HN 0.260 nan 8.360 nan 0.000 0.408 362 P HA 0.231 nan 4.420 nan 0.000 0.284 362 P C -0.763 176.426 177.300 -0.185 0.000 1.253 362 P CA -0.263 62.710 63.100 -0.211 0.000 0.800 362 P CB 0.667 31.936 31.700 -0.719 0.000 0.961 363 H N 2.518 121.594 119.070 0.010 0.000 2.595 363 H HA 0.291 3.438 4.556 -2.348 0.000 0.313 363 H C -0.257 175.168 175.328 0.163 0.000 1.023 363 H CA -0.330 55.806 56.048 0.146 0.000 1.218 363 H CB 0.391 30.267 29.762 0.191 0.000 1.403 363 H HN 0.319 nan 8.280 nan 0.000 0.477 364 F N 1.737 121.856 119.950 0.283 0.000 2.375 364 F HA 0.068 3.186 4.527 -2.348 0.000 0.333 364 F C 1.528 177.509 175.800 0.301 0.000 1.104 364 F CA -0.520 57.650 58.000 0.283 0.000 1.149 364 F CB 1.072 40.173 39.000 0.168 0.000 1.190 364 F HN 0.387 nan 8.300 nan 0.000 0.533 365 T N 1.305 116.149 114.554 0.483 0.000 2.860 365 T HA 0.073 3.014 4.350 -2.348 0.000 0.299 365 T C 1.319 176.208 174.700 0.316 0.000 1.045 365 T CA -0.870 61.455 62.100 0.376 0.000 1.071 365 T CB 0.791 69.863 68.868 0.340 0.000 0.985 365 T HN 0.671 nan 8.240 nan 0.000 0.537 366 L N 1.089 122.456 121.223 0.240 0.000 2.051 366 L HA -0.140 2.791 4.340 -2.348 0.000 0.214 366 L C 1.930 178.908 176.870 0.180 0.000 1.076 366 L CA 2.746 57.702 54.840 0.193 0.000 0.758 366 L CB -1.055 41.096 42.059 0.153 0.000 0.890 366 L HN 0.985 nan 8.230 nan 0.000 0.433 367 D N -0.999 119.510 120.400 0.181 0.000 2.349 367 D HA -0.016 3.215 4.640 -2.348 0.000 0.224 367 D C 1.437 177.847 176.300 0.183 0.000 1.029 367 D CA 0.773 54.869 54.000 0.161 0.000 0.879 367 D CB -0.509 40.375 40.800 0.141 0.000 0.906 367 D HN 0.424 nan 8.370 nan 0.000 0.528 368 G N 1.195 110.140 108.800 0.242 0.000 2.269 368 G HA2 -0.361 2.190 3.960 -2.348 0.000 0.277 368 G HA3 -0.361 2.190 3.960 -2.348 0.000 0.277 368 G C 0.747 175.836 174.900 0.315 0.000 1.008 368 G CA 0.513 45.779 45.100 0.276 0.000 0.774 368 G HN 0.391 nan 8.290 nan 0.000 0.511 369 N N -0.234 118.636 118.700 0.283 0.000 2.270 369 N HA 0.281 3.612 4.740 -2.348 0.000 0.198 369 N C 0.589 176.243 175.510 0.241 0.000 1.117 369 N CA 0.957 54.149 53.050 0.236 0.000 0.845 369 N CB 0.749 39.332 38.487 0.161 0.000 0.980 369 N HN 0.800 nan 8.380 nan 0.000 0.486 370 S N -0.265 115.624 115.700 0.315 0.000 2.567 370 S HA 0.678 3.739 4.470 -2.348 0.000 0.270 370 S C -1.583 173.133 174.600 0.193 0.000 1.152 370 S CA -0.905 57.381 58.200 0.143 0.000 0.835 370 S CB 0.561 63.810 63.200 0.080 0.000 1.115 370 S HN 0.092 nan 8.310 nan 0.000 0.459 371 F N -0.301 119.481 119.950 -0.281 0.000 2.686 371 F HA 0.841 3.959 4.527 -2.348 0.000 0.311 371 F C -2.225 173.369 175.800 -0.343 0.000 1.128 371 F CA -1.349 56.413 58.000 -0.398 0.000 0.946 371 F CB 0.618 39.015 39.000 -1.004 0.000 1.336 371 F HN 0.588 nan 8.300 nan 0.000 0.457 372 Y N 1.005 121.420 120.300 0.192 0.000 2.468 372 Y HA 0.718 3.859 4.550 -2.348 0.000 0.342 372 Y C -0.366 175.666 175.900 0.220 0.000 1.021 372 Y CA -0.927 57.278 58.100 0.175 0.000 1.079 372 Y CB 2.352 40.886 38.460 0.123 0.000 1.226 372 Y HN 0.751 nan 8.280 nan 0.000 0.460 373 K N 2.461 123.062 120.400 0.334 0.000 2.569 373 K HA 0.468 3.379 4.320 -2.348 0.000 0.259 373 K C -1.875 174.859 176.600 0.223 0.000 0.932 373 K CA -0.494 55.946 56.287 0.254 0.000 0.833 373 K CB 1.468 34.052 32.500 0.140 0.000 1.340 373 K HN 0.711 nan 8.250 nan 0.000 0.429 374 I N 6.672 127.350 120.570 0.179 0.000 2.436 374 I HA 0.231 2.992 4.170 -2.348 0.000 0.289 374 I C 0.257 176.472 176.117 0.163 0.000 1.083 374 I CA -0.203 61.191 61.300 0.157 0.000 1.372 374 I CB 0.050 38.127 38.000 0.129 0.000 1.408 374 I HN 0.473 nan 8.210 nan 0.000 0.516 375 I N 2.149 122.849 120.570 0.217 0.000 3.074 375 I HA 0.497 3.258 4.170 -2.348 0.000 0.310 375 I C -0.246 176.011 176.117 0.235 0.000 1.153 375 I CA -0.787 60.640 61.300 0.212 0.000 0.993 375 I CB 2.189 40.334 38.000 0.243 0.000 1.237 375 I HN 0.293 nan 8.210 nan 0.000 0.443 376 S N 2.776 118.557 115.700 0.134 0.000 2.510 376 S HA 0.232 3.293 4.470 -2.348 0.000 0.279 376 S C -0.033 174.617 174.600 0.083 0.000 1.284 376 S CA -0.505 57.724 58.200 0.048 0.000 1.059 376 S CB -0.321 62.862 63.200 -0.028 0.000 0.901 376 S HN 0.825 nan 8.310 nan 0.000 0.491 377 N N 3.377 122.018 118.700 -0.099 0.000 2.418 377 N HA 0.123 3.454 4.740 -2.348 0.000 0.283 377 N C 1.009 176.419 175.510 -0.166 0.000 1.267 377 N CA -0.455 52.385 53.050 -0.350 0.000 0.975 377 N CB 0.017 37.897 38.487 -1.011 0.000 1.167 377 N HN 0.640 nan 8.380 nan 0.000 0.581 378 E N -0.877 119.216 120.200 -0.178 0.000 2.472 378 E HA -0.158 2.783 4.350 -2.348 0.000 0.200 378 E C 0.008 176.561 176.600 -0.080 0.000 1.046 378 E CA 1.096 57.443 56.400 -0.088 0.000 0.871 378 E CB -0.266 29.393 29.700 -0.068 0.000 0.806 378 E HN 0.699 nan 8.360 nan 0.000 0.533 379 E N -0.013 120.138 120.200 -0.082 0.000 2.481 379 E HA 0.123 3.064 4.350 -2.348 0.000 0.198 379 E C 0.772 177.331 176.600 -0.068 0.000 1.027 379 E CA 0.475 56.874 56.400 -0.002 0.000 0.900 379 E CB 0.659 30.427 29.700 0.113 0.000 0.993 379 E HN 0.504 nan 8.360 nan 0.000 0.482 380 G N 1.190 109.902 108.800 -0.147 0.000 2.175 380 G HA2 -0.280 2.271 3.960 -2.348 0.000 0.244 380 G HA3 -0.280 2.271 3.960 -2.348 0.000 0.244 380 G C -0.137 174.511 174.900 -0.420 0.000 0.982 380 G CA 0.019 44.944 45.100 -0.292 0.000 0.641 380 G HN 0.227 nan 8.290 nan 0.000 0.527 381 Y N 0.690 120.887 120.300 -0.171 0.000 2.320 381 Y HA 0.637 3.777 4.550 -2.349 0.000 0.334 381 Y C 1.215 176.982 175.900 -0.221 0.000 1.055 381 Y CA -0.756 57.222 58.100 -0.203 0.000 1.143 381 Y CB 0.899 39.248 38.460 -0.185 0.000 1.193 381 Y HN 0.079 nan 8.280 nan 0.000 0.477 382 R N 3.565 123.966 120.500 -0.164 0.000 2.347 382 R HA 0.296 3.227 4.340 -2.348 0.000 0.304 382 R C -0.791 175.267 176.300 -0.404 0.000 1.072 382 R CA 0.013 56.018 56.100 -0.158 0.000 0.980 382 R CB 0.211 30.456 30.300 -0.091 0.000 0.986 382 R HN 0.672 nan 8.270 nan 0.000 0.448 383 H N 1.547 120.612 119.070 -0.008 0.000 2.990 383 H HA 0.278 3.425 4.556 -2.348 0.000 0.336 383 H C -0.519 174.882 175.328 0.121 0.000 1.306 383 H CA -0.830 55.188 56.048 -0.051 0.000 1.118 383 H CB 1.428 31.069 29.762 -0.203 0.000 1.856 383 H HN 0.347 nan 8.280 nan 0.000 0.538 384 I N 1.593 122.256 120.570 0.154 0.000 2.363 384 I HA 0.028 2.790 4.170 -2.348 0.000 0.292 384 I C 0.454 176.610 176.117 0.066 0.000 1.075 384 I CA 0.161 61.509 61.300 0.079 0.000 1.333 384 I CB 0.111 38.064 38.000 -0.078 0.000 1.415 384 I HN 0.150 nan 8.210 nan 0.000 0.502 385 c N 7.033 125.619 118.600 -0.024 0.000 2.358 385 c HA 0.323 3.485 4.570 -2.348 0.000 0.342 385 c C -0.180 173.763 174.090 -0.245 0.000 1.234 385 c CA -0.556 55.509 56.329 -0.439 0.000 1.969 385 c CB 0.517 42.495 42.510 -0.886 0.000 2.346 385 c HN 0.694 nan 8.230 nan 0.000 0.525 386 Y N 4.738 124.681 120.300 -0.595 0.000 2.385 386 Y HA 0.574 3.715 4.550 -2.348 0.000 0.341 386 Y C -0.941 174.488 175.900 -0.785 0.000 0.965 386 Y CA -0.622 57.104 58.100 -0.623 0.000 1.180 386 Y CB 0.250 38.452 38.460 -0.431 0.000 1.139 386 Y HN 0.665 nan 8.280 nan 0.000 0.502 387 F N 4.516 123.685 119.950 -1.301 0.000 2.436 387 F HA 0.341 3.459 4.527 -2.348 0.000 0.340 387 F C 0.155 175.198 175.800 -1.262 0.000 1.113 387 F CA -0.792 56.390 58.000 -1.364 0.000 1.022 387 F CB 1.662 39.394 39.000 -2.114 0.000 1.128 387 F HN 0.480 nan 8.300 nan 0.000 0.466 388 Q N 1.433 120.836 119.800 -0.661 0.000 2.260 388 Q HA 0.341 3.272 4.340 -2.348 0.000 0.238 388 Q C 0.668 176.649 176.000 -0.031 0.000 0.948 388 Q CA -0.138 55.462 55.803 -0.339 0.000 0.895 388 Q CB 1.331 29.926 28.738 -0.239 0.000 1.218 388 Q HN 0.697 nan 8.270 nan 0.000 0.470 389 I N 1.136 121.777 120.570 0.118 0.000 2.928 389 I HA -0.107 2.654 4.170 -2.348 0.000 0.266 389 I C 0.258 176.537 176.117 0.270 0.000 1.234 389 I CA 1.176 62.665 61.300 0.315 0.000 1.483 389 I CB 0.199 38.376 38.000 0.295 0.000 1.097 389 I HN 0.625 nan 8.210 nan 0.000 0.455 390 D N -0.143 120.336 120.400 0.132 0.000 2.407 390 D HA 0.098 3.329 4.640 -2.348 0.000 0.208 390 D C 0.214 176.523 176.300 0.016 0.000 1.083 390 D CA 0.267 54.302 54.000 0.057 0.000 0.844 390 D CB 0.404 41.223 40.800 0.031 0.000 0.967 390 D HN 0.161 nan 8.370 nan 0.000 0.506 391 K N 0.919 121.343 120.400 0.040 0.000 2.203 391 K HA 0.243 3.154 4.320 -2.348 0.000 0.251 391 K C 0.974 177.596 176.600 0.036 0.000 0.944 391 K CA -0.612 55.672 56.287 -0.005 0.000 0.829 391 K CB 2.550 35.016 32.500 -0.057 0.000 1.125 391 K HN -0.226 nan 8.250 nan 0.000 0.430 392 K N 1.323 121.711 120.400 -0.020 0.000 2.001 392 K HA -0.071 2.841 4.320 -2.348 0.000 0.208 392 K C -0.432 176.182 176.600 0.023 0.000 1.048 392 K CA 1.289 57.577 56.287 0.002 0.000 0.932 392 K CB 0.165 32.649 32.500 -0.026 0.000 0.715 392 K HN 0.575 nan 8.250 nan 0.000 0.437 393 D N 1.901 122.258 120.400 -0.073 0.000 2.308 393 D HA 0.063 3.294 4.640 -2.348 0.000 0.251 393 D C 0.518 176.604 176.300 -0.356 0.000 1.127 393 D CA -0.160 53.737 54.000 -0.171 0.000 0.876 393 D CB 1.091 41.812 40.800 -0.132 0.000 1.176 393 D HN 0.332 nan 8.370 nan 0.000 0.446 394 c N 0.975 119.177 118.600 -0.664 0.000 2.478 394 c HA 0.829 3.990 4.570 -2.348 0.000 0.379 394 c C 0.654 174.350 174.090 -0.656 0.000 1.470 394 c CA -0.658 55.070 56.329 -1.001 0.000 2.066 394 c CB 0.793 42.072 42.510 -2.052 0.000 2.001 394 c HN 0.686 nan 8.230 nan 0.000 0.550 395 T N -1.394 112.807 114.554 -0.589 0.000 2.893 395 T HA 0.621 3.562 4.350 -2.348 0.000 0.293 395 T C -1.106 173.360 174.700 -0.390 0.000 1.027 395 T CA -0.331 61.568 62.100 -0.335 0.000 0.988 395 T CB 0.775 69.600 68.868 -0.072 0.000 1.043 395 T HN 0.511 nan 8.240 nan 0.000 0.461 396 F N 3.563 123.396 119.950 -0.195 0.000 2.427 396 F HA 0.376 3.495 4.527 -2.347 0.000 0.352 396 F C 1.608 177.220 175.800 -0.314 0.000 1.100 396 F CA -1.073 56.789 58.000 -0.231 0.000 1.191 396 F CB 0.949 39.812 39.000 -0.228 0.000 1.128 396 F HN 0.671 nan 8.300 nan 0.000 0.533 397 I N -0.691 119.707 120.570 -0.286 0.000 3.860 397 I HA 0.213 2.974 4.170 -2.348 0.000 0.319 397 I C 0.234 176.143 176.117 -0.346 0.000 1.279 397 I CA 0.114 60.999 61.300 -0.690 0.000 1.220 397 I CB -0.059 37.270 38.000 -1.118 0.000 1.027 397 I HN 0.487 nan 8.210 nan 0.000 0.428 398 T N 0.169 114.587 114.554 -0.226 0.000 2.906 398 T HA 0.682 3.623 4.350 -2.348 0.000 0.295 398 T C -0.655 173.621 174.700 -0.707 0.000 1.061 398 T CA -0.744 61.198 62.100 -0.264 0.000 1.000 398 T CB 2.713 71.497 68.868 -0.141 0.000 1.103 398 T HN 0.432 nan 8.240 nan 0.000 0.486 399 K N 0.275 120.149 120.400 -0.878 0.000 2.533 399 K HA 0.854 3.765 4.320 -2.348 0.000 0.284 399 K C -0.361 175.651 176.600 -0.980 0.000 1.025 399 K CA -1.128 54.370 56.287 -1.315 0.000 0.900 399 K CB 1.506 33.594 32.500 -0.686 0.000 1.519 399 K HN 1.553 nan 8.250 nan 0.000 0.432 400 G N -0.210 108.086 108.800 -0.839 0.000 2.357 400 G HA2 0.024 2.575 3.960 -2.348 0.000 0.643 400 G HA3 0.024 2.575 3.960 -2.348 0.000 0.643 400 G C -0.576 173.808 174.900 -0.861 0.000 1.358 400 G CA -0.317 44.410 45.100 -0.621 0.000 0.986 400 G HN 0.917 nan 8.290 nan 0.000 0.620 401 T N -0.712 113.450 114.554 -0.653 0.000 3.285 401 T HA 0.565 3.507 4.350 -2.348 0.000 0.232 401 T C 0.271 174.668 174.700 -0.504 0.000 0.973 401 T CA 0.527 61.974 62.100 -1.089 0.000 1.023 401 T CB -0.830 67.729 68.868 -0.515 0.000 1.158 401 T HN 1.455 nan 8.240 nan 0.000 0.590 402 W N -0.525 120.542 121.300 -0.388 0.000 2.961 402 W HA 0.715 3.965 4.660 -2.349 0.000 0.368 402 W C -1.354 175.124 176.519 -0.069 0.000 1.213 402 W CA -1.040 56.257 57.345 -0.081 0.000 1.173 402 W CB 0.777 30.204 29.460 -0.054 0.000 1.487 402 W HN 0.089 nan 8.180 nan 0.000 0.585 403 E N 0.819 121.184 120.200 0.275 0.000 2.293 403 E HA 0.424 3.366 4.350 -2.348 0.000 0.270 403 E C -1.208 175.509 176.600 0.195 0.000 0.879 403 E CA -1.070 55.322 56.400 -0.013 0.000 0.756 403 E CB 3.503 33.262 29.700 0.098 0.000 1.208 403 E HN 0.165 nan 8.360 nan 0.000 0.428 404 V N 4.457 124.370 119.914 -0.003 0.000 2.461 404 V HA 0.027 2.738 4.120 -2.348 0.000 0.275 404 V C 1.166 177.366 176.094 0.176 0.000 1.047 404 V CA -0.099 62.303 62.300 0.171 0.000 0.955 404 V CB 0.702 32.532 31.823 0.013 0.000 0.988 404 V HN 0.688 nan 8.190 nan 0.000 0.471 405 I N 3.266 123.964 120.570 0.215 0.000 2.400 405 I HA 0.248 3.009 4.170 -2.348 0.000 0.248 405 I C 1.142 177.376 176.117 0.195 0.000 1.109 405 I CA 1.054 62.466 61.300 0.187 0.000 1.425 405 I CB -0.888 37.152 38.000 0.067 0.000 1.094 405 I HN 0.746 nan 8.210 nan 0.000 0.425 406 G N 0.525 109.441 108.800 0.193 0.000 2.667 406 G HA2 0.544 3.095 3.960 -2.348 0.000 0.294 406 G HA3 0.544 3.095 3.960 -2.348 0.000 0.294 406 G C -1.230 173.765 174.900 0.159 0.000 1.467 406 G CA -0.589 44.618 45.100 0.178 0.000 0.852 406 G HN -0.036 nan 8.290 nan 0.000 0.521 407 I N 1.571 122.177 120.570 0.061 0.000 2.371 407 I HA 0.247 3.008 4.170 -2.348 0.000 0.290 407 I C 0.717 176.777 176.117 -0.095 0.000 1.028 407 I CA -0.408 60.828 61.300 -0.107 0.000 1.345 407 I CB 1.545 39.245 38.000 -0.500 0.000 1.407 407 I HN 0.494 nan 8.210 nan 0.000 0.501 408 E N 4.900 125.102 120.200 0.002 0.000 2.330 408 E HA 0.341 3.282 4.350 -2.348 0.000 0.200 408 E C 0.096 176.633 176.600 -0.105 0.000 0.922 408 E CA 0.187 56.633 56.400 0.077 0.000 0.935 408 E CB 0.944 30.787 29.700 0.237 0.000 0.917 408 E HN 0.652 nan 8.360 nan 0.000 0.491 409 A N 0.951 123.622 122.820 -0.249 0.000 2.547 409 A HA 0.603 3.515 4.320 -2.348 0.000 0.297 409 A C -1.787 175.731 177.584 -0.110 0.000 1.056 409 A CA -0.607 51.184 52.037 -0.410 0.000 0.688 409 A CB 1.281 19.465 19.000 -1.358 0.000 1.282 409 A HN 0.058 nan 8.150 nan 0.000 0.400 410 L N 2.168 123.369 121.223 -0.037 0.000 2.381 410 L HA 0.828 3.759 4.340 -2.348 0.000 0.274 410 L C 0.440 177.350 176.870 0.066 0.000 0.988 410 L CA 0.469 55.324 54.840 0.025 0.000 0.824 410 L CB 2.064 44.174 42.059 0.084 0.000 1.263 410 L HN 1.108 nan 8.230 nan 0.000 0.410 411 T N -0.482 114.127 114.554 0.093 0.000 2.718 411 T HA 0.427 3.368 4.350 -2.348 0.000 0.267 411 T C 0.948 175.705 174.700 0.095 0.000 0.957 411 T CA 0.209 62.376 62.100 0.110 0.000 1.025 411 T CB 0.919 69.880 68.868 0.156 0.000 1.355 411 T HN 0.519 nan 8.240 nan 0.000 0.572 412 S N -0.242 115.514 115.700 0.093 0.000 2.436 412 S HA 0.041 3.102 4.470 -2.348 0.000 0.228 412 S C 0.759 175.366 174.600 0.012 0.000 1.014 412 S CA 1.036 59.277 58.200 0.068 0.000 0.950 412 S CB -0.493 62.748 63.200 0.068 0.000 0.784 412 S HN 0.787 nan 8.310 nan 0.000 0.504 413 D N -1.163 119.236 120.400 -0.002 0.000 2.454 413 D HA 0.287 3.518 4.640 -2.348 0.000 0.219 413 D C -0.539 175.497 176.300 -0.439 0.000 1.081 413 D CA 0.256 54.143 54.000 -0.190 0.000 0.867 413 D CB 0.388 41.098 40.800 -0.150 0.000 1.054 413 D HN 0.350 nan 8.370 nan 0.000 0.500 414 Y N 0.129 120.375 120.300 -0.090 0.000 2.553 414 Y HA 0.525 3.666 4.550 -2.348 0.000 0.347 414 Y C -1.049 174.685 175.900 -0.278 0.000 1.019 414 Y CA -1.193 56.769 58.100 -0.229 0.000 1.032 414 Y CB 2.283 40.535 38.460 -0.345 0.000 1.284 414 Y HN -0.237 nan 8.280 nan 0.000 0.466 415 L N 2.773 123.871 121.223 -0.208 0.000 2.385 415 L HA 0.618 3.549 4.340 -2.348 0.000 0.273 415 L C -1.949 174.784 176.870 -0.228 0.000 0.990 415 L CA -0.644 54.066 54.840 -0.217 0.000 0.821 415 L CB 1.305 43.157 42.059 -0.345 0.000 1.279 415 L HN 0.647 nan 8.230 nan 0.000 0.412 416 Y N 4.685 124.937 120.300 -0.080 0.000 2.335 416 Y HA 0.537 3.678 4.550 -2.348 0.000 0.338 416 Y C -0.614 175.314 175.900 0.046 0.000 0.977 416 Y CA -0.434 57.631 58.100 -0.058 0.000 1.114 416 Y CB 1.481 39.824 38.460 -0.196 0.000 1.182 416 Y HN 0.530 nan 8.280 nan 0.000 0.463 417 Y N 1.334 121.702 120.300 0.114 0.000 2.562 417 Y HA 0.767 3.907 4.550 -2.349 0.000 0.345 417 Y C -1.691 174.292 175.900 0.139 0.000 1.045 417 Y CA -1.778 56.375 58.100 0.089 0.000 1.028 417 Y CB 1.154 39.640 38.460 0.043 0.000 1.297 417 Y HN 0.318 nan 8.280 nan 0.000 0.463 418 I N 3.540 124.242 120.570 0.219 0.000 2.437 418 I HA 0.595 3.356 4.170 -2.348 0.000 0.298 418 I C -0.132 176.138 176.117 0.256 0.000 0.984 418 I CA -0.334 61.045 61.300 0.132 0.000 1.214 418 I CB 1.692 39.735 38.000 0.071 0.000 1.365 418 I HN 0.915 nan 8.210 nan 0.000 0.469 419 S N 3.354 119.165 115.700 0.184 0.000 2.625 419 S HA 0.400 3.461 4.470 -2.348 0.000 0.271 419 S C -0.404 174.242 174.600 0.078 0.000 1.161 419 S CA -0.872 57.446 58.200 0.197 0.000 0.820 419 S CB 1.841 65.171 63.200 0.216 0.000 1.137 419 S HN 0.614 nan 8.310 nan 0.000 0.470 420 N N -0.406 118.338 118.700 0.073 0.000 2.273 420 N HA 0.139 3.470 4.740 -2.348 0.000 0.231 420 N C 0.641 176.122 175.510 -0.048 0.000 1.134 420 N CA -0.235 52.820 53.050 0.009 0.000 0.856 420 N CB 0.166 38.657 38.487 0.006 0.000 1.068 420 N HN 0.806 nan 8.380 nan 0.000 0.510 421 E N 0.172 120.213 120.200 -0.265 0.000 2.077 421 E HA -0.202 2.739 4.350 -2.348 0.000 0.193 421 E C -0.386 176.056 176.600 -0.264 0.000 0.989 421 E CA 0.311 56.295 56.400 -0.694 0.000 0.800 421 E CB -0.087 28.654 29.700 -1.598 0.000 0.746 421 E HN 0.542 nan 8.360 nan 0.000 0.452 422 Y N 1.573 121.773 120.300 -0.166 0.000 2.721 422 Y HA -0.151 2.991 4.550 -2.347 0.000 0.329 422 Y C 0.441 176.297 175.900 -0.073 0.000 1.211 422 Y CA 0.799 58.848 58.100 -0.084 0.000 1.512 422 Y CB 0.254 38.684 38.460 -0.050 0.000 1.249 422 Y HN 0.054 nan 8.280 nan 0.000 0.549 423 K N 3.673 123.764 120.400 -0.514 0.000 3.130 423 K HA -0.248 2.663 4.320 -2.348 0.000 0.282 423 K C 0.686 177.204 176.600 -0.137 0.000 1.145 423 K CA 0.771 56.817 56.287 -0.402 0.000 0.831 423 K CB -1.753 30.443 32.500 -0.506 0.000 1.226 423 K HN 1.238 nan 8.250 nan 0.000 0.478 424 G N 0.694 109.436 108.800 -0.096 0.000 2.305 424 G HA2 -0.316 2.235 3.960 -2.348 0.000 0.287 424 G HA3 -0.316 2.235 3.960 -2.348 0.000 0.287 424 G C -0.040 174.866 174.900 0.010 0.000 1.036 424 G CA 0.779 45.879 45.100 -0.001 0.000 0.887 424 G HN 0.318 nan 8.290 nan 0.000 0.505 425 M N -0.154 119.375 119.600 -0.119 0.000 2.036 425 M HA 0.247 3.318 4.480 -2.348 0.000 0.337 425 M C -1.357 174.726 176.300 -0.362 0.000 1.012 425 M CA -2.098 52.985 55.300 -0.360 0.000 0.962 425 M CB 1.914 34.363 32.600 -0.251 0.000 1.423 425 M HN -0.125 nan 8.290 nan 0.000 0.405 426 P HA -0.114 nan 4.420 nan 0.000 0.217 426 P C 1.178 178.353 177.300 -0.208 0.000 1.148 426 P CA 1.177 64.118 63.100 -0.264 0.000 0.828 426 P CB 0.199 31.721 31.700 -0.298 0.000 0.783 427 G N -1.341 107.275 108.800 -0.308 0.000 3.141 427 G HA2 0.281 2.832 3.960 -2.348 0.000 0.218 427 G HA3 0.281 2.832 3.960 -2.348 0.000 0.218 427 G C 0.674 175.589 174.900 0.026 0.000 1.170 427 G CA 0.114 45.154 45.100 -0.099 0.000 0.769 427 G HN 0.383 nan 8.290 nan 0.000 0.546 428 G N -0.166 108.598 108.800 -0.059 0.000 2.488 428 G HA2 0.639 3.191 3.960 -2.348 0.000 0.318 428 G HA3 0.639 3.191 3.960 -2.348 0.000 0.318 428 G C -0.724 174.079 174.900 -0.161 0.000 1.188 428 G CA -0.714 44.380 45.100 -0.011 0.000 0.944 428 G HN 0.109 nan 8.290 nan 0.000 0.495 429 R N 0.180 120.533 120.500 -0.245 0.000 2.535 429 R HA 0.329 3.260 4.340 -2.348 0.000 0.274 429 R C -1.410 174.824 176.300 -0.110 0.000 1.090 429 R CA -0.775 55.143 56.100 -0.302 0.000 0.930 429 R CB 1.811 31.673 30.300 -0.731 0.000 1.223 429 R HN 0.699 nan 8.270 nan 0.000 0.441 430 N N 0.516 119.177 118.700 -0.064 0.000 2.357 430 N HA 0.461 3.792 4.740 -2.348 0.000 0.284 430 N C -1.399 173.968 175.510 -0.239 0.000 1.236 430 N CA -0.813 52.117 53.050 -0.201 0.000 0.774 430 N CB 2.001 40.257 38.487 -0.384 0.000 1.534 430 N HN 0.245 nan 8.380 nan 0.000 0.478 431 L N 1.888 122.835 121.223 -0.460 0.000 2.326 431 L HA 0.506 3.437 4.340 -2.348 0.000 0.278 431 L C -1.573 174.948 176.870 -0.581 0.000 1.092 431 L CA -0.002 54.608 54.840 -0.383 0.000 0.810 431 L CB -0.007 41.818 42.059 -0.391 0.000 1.153 431 L HN 0.525 nan 8.230 nan 0.000 0.439 432 Y N 3.100 123.071 120.300 -0.548 0.000 2.524 432 Y HA 0.500 3.641 4.550 -2.349 0.000 0.347 432 Y C -0.556 175.059 175.900 -0.475 0.000 1.005 432 Y CA -0.989 56.760 58.100 -0.585 0.000 1.025 432 Y CB 1.756 39.664 38.460 -0.920 0.000 1.275 432 Y HN 0.516 nan 8.280 nan 0.000 0.460 433 K N 2.870 123.147 120.400 -0.205 0.000 2.221 433 K HA 0.758 3.669 4.320 -2.348 0.000 0.258 433 K C -1.574 175.019 176.600 -0.011 0.000 0.944 433 K CA -0.681 55.423 56.287 -0.304 0.000 0.823 433 K CB 2.719 34.813 32.500 -0.677 0.000 1.113 433 K HN 0.746 nan 8.250 nan 0.000 0.431 434 I N 1.551 122.166 120.570 0.075 0.000 2.530 434 I HA 0.149 2.910 4.170 -2.348 0.000 0.297 434 I C -0.831 175.329 176.117 0.073 0.000 1.011 434 I CA -0.867 60.522 61.300 0.147 0.000 1.107 434 I CB 2.102 40.209 38.000 0.178 0.000 1.285 434 I HN 0.837 nan 8.210 nan 0.000 0.436 435 Q N 5.417 125.233 119.800 0.026 0.000 2.307 435 Q HA 0.153 3.085 4.340 -2.348 0.000 0.259 435 Q C 0.153 176.069 176.000 -0.139 0.000 0.998 435 Q CA -0.599 55.054 55.803 -0.248 0.000 0.923 435 Q CB 1.255 29.854 28.738 -0.233 0.000 1.196 435 Q HN 0.779 nan 8.270 nan 0.000 0.416 436 L N 3.073 124.166 121.223 -0.217 0.000 2.081 436 L HA -0.228 2.704 4.340 -2.348 0.000 0.212 436 L C 2.211 178.996 176.870 -0.141 0.000 1.080 436 L CA 2.257 57.047 54.840 -0.083 0.000 0.754 436 L CB -0.919 41.064 42.059 -0.126 0.000 0.893 436 L HN 0.802 nan 8.230 nan 0.000 0.433 437 S N -2.653 112.909 115.700 -0.230 0.000 2.593 437 S HA 0.040 3.101 4.470 -2.348 0.000 0.217 437 S C 0.462 174.862 174.600 -0.334 0.000 0.966 437 S CA 0.033 58.075 58.200 -0.263 0.000 0.914 437 S CB -0.047 63.037 63.200 -0.193 0.000 0.776 437 S HN 0.425 nan 8.310 nan 0.000 0.523 438 D N -0.234 119.967 120.400 -0.331 0.000 2.312 438 D HA 0.165 3.396 4.640 -2.348 0.000 0.229 438 D C -0.523 175.712 176.300 -0.108 0.000 1.337 438 D CA -0.433 53.401 54.000 -0.276 0.000 0.964 438 D CB 0.140 40.848 40.800 -0.153 0.000 1.456 438 D HN -0.020 nan 8.370 nan 0.000 0.547 439 Y N 0.873 121.144 120.300 -0.049 0.000 2.421 439 Y HA -0.116 3.025 4.550 -2.348 0.000 0.292 439 Y C 2.655 178.554 175.900 -0.001 0.000 1.136 439 Y CA 1.500 59.583 58.100 -0.029 0.000 1.255 439 Y CB -0.961 37.482 38.460 -0.028 0.000 0.991 439 Y HN 0.433 nan 8.280 nan 0.000 0.552 440 T N -1.839 112.786 114.554 0.119 0.000 2.833 440 T HA -0.136 2.805 4.350 -2.348 0.000 0.269 440 T C 0.874 175.622 174.700 0.080 0.000 1.054 440 T CA 0.631 62.781 62.100 0.082 0.000 1.135 440 T CB -0.329 68.563 68.868 0.040 0.000 0.869 440 T HN 0.139 nan 8.240 nan 0.000 0.466 441 K N 2.058 122.499 120.400 0.067 0.000 2.167 441 K HA 0.412 3.323 4.320 -2.348 0.000 0.275 441 K C -1.284 175.382 176.600 0.111 0.000 1.103 441 K CA -0.199 56.130 56.287 0.071 0.000 0.963 441 K CB 0.562 33.088 32.500 0.043 0.000 1.243 441 K HN 0.159 nan 8.250 nan 0.000 0.407 442 V N 2.937 122.922 119.914 0.118 0.000 2.409 442 V HA 0.136 2.848 4.120 -2.348 0.000 0.290 442 V C -0.162 176.006 176.094 0.124 0.000 1.017 442 V CA -0.837 61.552 62.300 0.149 0.000 0.841 442 V CB 1.810 33.745 31.823 0.188 0.000 1.003 442 V HN 0.597 nan 8.190 nan 0.000 0.426 443 T N 3.142 117.744 114.554 0.080 0.000 2.837 443 T HA 0.246 3.187 4.350 -2.348 0.000 0.285 443 T C -0.083 174.575 174.700 -0.070 0.000 0.984 443 T CA -0.263 61.834 62.100 -0.004 0.000 1.049 443 T CB 1.276 70.105 68.868 -0.065 0.000 0.947 443 T HN 0.718 nan 8.240 nan 0.000 0.472 444 C N 4.927 124.106 119.300 -0.201 0.000 2.394 444 C HA 0.416 3.467 4.460 -2.348 0.000 0.362 444 C C 1.628 176.297 174.990 -0.536 0.000 1.268 444 C CA -0.574 58.057 59.018 -0.645 0.000 1.828 444 C CB -1.878 25.386 27.740 -0.794 0.000 2.442 444 C HN 1.005 nan 8.230 nan 0.000 0.549 445 L N 4.415 125.285 121.223 -0.588 0.000 2.354 445 L HA 0.065 2.996 4.340 -2.348 0.000 0.212 445 L C 2.406 178.952 176.870 -0.540 0.000 1.091 445 L CA 1.130 55.706 54.840 -0.441 0.000 0.828 445 L CB -0.152 41.697 42.059 -0.350 0.000 0.973 445 L HN 0.871 nan 8.230 nan 0.000 0.461 446 S N -2.499 112.747 115.700 -0.757 0.000 2.506 446 S HA -0.047 3.014 4.470 -2.348 0.000 0.219 446 S C 1.985 176.104 174.600 -0.801 0.000 1.031 446 S CA -0.006 57.600 58.200 -0.989 0.000 0.911 446 S CB -0.420 61.769 63.200 -1.685 0.000 0.812 446 S HN 0.318 nan 8.310 nan 0.000 0.497 447 C N 1.997 120.831 119.300 -0.776 0.000 2.376 447 C HA -0.027 3.025 4.460 -2.348 0.000 0.275 447 C C 2.491 177.176 174.990 -0.509 0.000 1.200 447 C CA 1.471 59.987 59.018 -0.836 0.000 1.756 447 C CB -1.167 25.885 27.740 -1.147 0.000 2.050 447 C HN 0.602 nan 8.230 nan 0.000 0.460 448 E N -0.101 119.880 120.200 -0.366 0.000 2.463 448 E HA 0.195 3.136 4.350 -2.348 0.000 0.193 448 E C 1.814 178.344 176.600 -0.117 0.000 1.041 448 E CA -0.092 56.196 56.400 -0.186 0.000 0.879 448 E CB -0.216 29.398 29.700 -0.143 0.000 0.997 448 E HN 0.554 nan 8.360 nan 0.000 0.478 449 L N 0.126 121.269 121.223 -0.133 0.000 1.976 449 L HA -0.093 2.839 4.340 -2.348 0.000 0.209 449 L C 0.937 177.808 176.870 0.002 0.000 1.071 449 L CA 0.966 55.774 54.840 -0.054 0.000 0.746 449 L CB 0.015 42.054 42.059 -0.033 0.000 0.890 449 L HN 0.105 nan 8.230 nan 0.000 0.432 450 N N -1.147 117.574 118.700 0.035 0.000 2.685 450 N HA 0.140 3.472 4.740 -2.348 0.000 0.252 450 N C -2.131 173.401 175.510 0.036 0.000 1.261 450 N CA -1.217 51.850 53.050 0.028 0.000 0.768 450 N CB 1.315 39.816 38.487 0.023 0.000 1.304 450 N HN -0.132 nan 8.380 nan 0.000 0.536 451 P HA -0.049 nan 4.420 nan 0.000 0.222 451 P C 0.441 177.784 177.300 0.071 0.000 1.147 451 P CA 1.205 64.342 63.100 0.062 0.000 0.790 451 P CB 0.827 32.570 31.700 0.072 0.000 0.780 452 E N -0.928 119.295 120.200 0.039 0.000 2.330 452 E HA 0.019 2.961 4.350 -2.348 0.000 0.200 452 E C 2.218 178.818 176.600 0.001 0.000 0.922 452 E CA -0.019 56.397 56.400 0.027 0.000 0.935 452 E CB 0.001 29.711 29.700 0.016 0.000 0.917 452 E HN -0.003 nan 8.360 nan 0.000 0.491 453 R N 0.339 120.828 120.500 -0.018 0.000 2.075 453 R HA 0.016 2.947 4.340 -2.348 0.000 0.232 453 R C -0.030 176.228 176.300 -0.069 0.000 1.126 453 R CA 1.071 57.138 56.100 -0.056 0.000 0.963 453 R CB 0.042 30.303 30.300 -0.064 0.000 0.858 453 R HN 0.043 nan 8.270 nan 0.000 0.435 454 c N 0.580 119.155 118.600 -0.043 0.000 2.344 454 c HA 0.443 3.604 4.570 -2.348 0.000 0.326 454 c C -0.462 173.629 174.090 0.002 0.000 1.201 454 c CA -0.619 55.644 56.329 -0.111 0.000 1.410 454 c CB 1.329 43.755 42.510 -0.141 0.000 2.070 454 c HN 0.588 nan 8.230 nan 0.000 0.445 455 Q N 0.807 120.595 119.800 -0.020 0.000 2.057 455 Q HA 0.222 3.153 4.340 -2.348 0.000 0.216 455 Q C -1.106 174.956 176.000 0.104 0.000 0.788 455 Q CA 0.014 55.877 55.803 0.101 0.000 1.053 455 Q CB 1.135 29.947 28.738 0.123 0.000 1.210 455 Q HN 0.796 nan 8.270 nan 0.000 0.455 456 Y N 0.292 120.484 120.300 -0.180 0.000 2.359 456 Y HA 0.361 3.502 4.550 -2.348 0.000 0.336 456 Y C -1.722 174.019 175.900 -0.266 0.000 1.098 456 Y CA -0.920 57.095 58.100 -0.141 0.000 1.272 456 Y CB 0.686 39.073 38.460 -0.121 0.000 1.112 456 Y HN -0.029 nan 8.280 nan 0.000 0.481 457 Y N 2.156 122.330 120.300 -0.210 0.000 2.487 457 Y HA 0.698 3.839 4.550 -2.348 0.000 0.337 457 Y C 0.332 176.143 175.900 -0.148 0.000 1.076 457 Y CA -0.416 57.596 58.100 -0.147 0.000 1.115 457 Y CB 2.236 40.587 38.460 -0.182 0.000 1.235 457 Y HN 0.487 nan 8.280 nan 0.000 0.468 458 S N 0.567 116.318 115.700 0.086 0.000 2.651 458 S HA 0.838 3.899 4.470 -2.348 0.000 0.279 458 S C -1.879 172.765 174.600 0.073 0.000 1.148 458 S CA -0.791 57.450 58.200 0.068 0.000 0.837 458 S CB 1.763 65.013 63.200 0.083 0.000 1.138 458 S HN 0.582 nan 8.310 nan 0.000 0.478 459 V N 0.700 120.659 119.914 0.073 0.000 2.841 459 V HA 0.830 3.541 4.120 -2.348 0.000 0.310 459 V C -0.979 175.175 176.094 0.100 0.000 1.090 459 V CA -0.278 62.038 62.300 0.026 0.000 0.930 459 V CB 2.253 34.001 31.823 -0.125 0.000 1.014 459 V HN 1.150 nan 8.190 nan 0.000 0.425 460 S N 5.595 121.362 115.700 0.112 0.000 2.640 460 S HA 0.673 3.734 4.470 -2.348 0.000 0.320 460 S C -1.069 173.708 174.600 0.296 0.000 1.097 460 S CA -0.383 57.982 58.200 0.276 0.000 1.092 460 S CB 0.391 63.791 63.200 0.333 0.000 0.988 460 S HN 0.483 nan 8.310 nan 0.000 0.470 461 F N 3.284 123.316 119.950 0.137 0.000 2.379 461 F HA 0.394 3.512 4.527 -2.348 0.000 0.332 461 F C 1.414 176.764 175.800 -0.750 0.000 1.096 461 F CA -0.251 57.646 58.000 -0.172 0.000 1.105 461 F CB 1.390 40.275 39.000 -0.192 0.000 1.189 461 F HN 0.673 nan 8.300 nan 0.000 0.515 462 S N 2.228 117.268 115.700 -1.100 0.000 2.580 462 S HA -0.009 3.052 4.470 -2.348 0.000 0.261 462 S C 1.369 175.756 174.600 -0.355 0.000 1.366 462 S CA -0.460 56.962 58.200 -1.297 0.000 0.996 462 S CB 0.548 63.222 63.200 -0.877 0.000 0.902 462 S HN 0.839 nan 8.310 nan 0.000 0.566 463 K N 0.333 120.659 120.400 -0.122 0.000 2.113 463 K HA -0.158 2.753 4.320 -2.348 0.000 0.208 463 K C 1.334 177.952 176.600 0.029 0.000 1.047 463 K CA 2.025 58.330 56.287 0.031 0.000 0.928 463 K CB -0.137 32.416 32.500 0.088 0.000 0.716 463 K HN 0.818 nan 8.250 nan 0.000 0.446 464 E N -2.081 118.131 120.200 0.020 0.000 2.812 464 E HA 0.218 3.160 4.350 -2.348 0.000 0.211 464 E C -0.506 176.095 176.600 0.001 0.000 0.986 464 E CA 0.439 56.858 56.400 0.033 0.000 1.119 464 E CB 0.892 30.637 29.700 0.075 0.000 1.046 464 E HN 0.364 nan 8.360 nan 0.000 0.474 465 A N 0.549 123.350 122.820 -0.032 0.000 3.201 465 A HA -0.304 2.607 4.320 -2.348 0.000 0.260 465 A C 1.414 179.014 177.584 0.027 0.000 1.222 465 A CA 1.532 53.560 52.037 -0.014 0.000 1.124 465 A CB -1.740 17.130 19.000 -0.217 0.000 1.155 465 A HN 0.303 nan 8.150 nan 0.000 0.924 466 K N -1.754 118.636 120.400 -0.016 0.000 2.148 466 K HA 0.010 2.921 4.320 -2.348 0.000 0.204 466 K C 0.016 176.365 176.600 -0.418 0.000 1.050 466 K CA 1.541 57.723 56.287 -0.174 0.000 0.942 466 K CB -0.051 32.360 32.500 -0.148 0.000 0.724 466 K HN 0.672 nan 8.250 nan 0.000 0.446 467 Y N -0.823 119.441 120.300 -0.060 0.000 2.536 467 Y HA 0.304 3.445 4.550 -2.348 0.000 0.347 467 Y C -0.603 175.236 175.900 -0.102 0.000 1.000 467 Y CA -1.366 56.687 58.100 -0.079 0.000 1.051 467 Y CB 1.566 40.007 38.460 -0.031 0.000 1.259 467 Y HN -0.042 nan 8.280 nan 0.000 0.468 468 Y N -1.169 119.133 120.300 0.005 0.000 2.562 468 Y HA 0.566 3.707 4.550 -2.348 0.000 0.345 468 Y C -1.267 174.707 175.900 0.124 0.000 1.045 468 Y CA -1.557 56.441 58.100 -0.170 0.000 1.028 468 Y CB 1.528 39.430 38.460 -0.931 0.000 1.297 468 Y HN 0.585 nan 8.280 nan 0.000 0.463 469 Q N 2.897 122.864 119.800 0.278 0.000 2.293 469 Q HA 0.594 3.525 4.340 -2.348 0.000 0.261 469 Q C -1.874 174.232 176.000 0.178 0.000 0.960 469 Q CA -0.753 55.149 55.803 0.166 0.000 0.882 469 Q CB 1.589 30.364 28.738 0.062 0.000 1.275 469 Q HN 0.963 nan 8.270 nan 0.000 0.445 470 L N 3.305 124.651 121.223 0.206 0.000 2.325 470 L HA 0.578 3.509 4.340 -2.348 0.000 0.278 470 L C -0.058 176.855 176.870 0.070 0.000 1.023 470 L CA -0.692 54.256 54.840 0.180 0.000 0.811 470 L CB 1.659 43.857 42.059 0.231 0.000 1.249 470 L HN 0.526 nan 8.230 nan 0.000 0.431 471 R N 2.572 123.070 120.500 -0.003 0.000 2.388 471 R HA 0.317 3.248 4.340 -2.348 0.000 0.314 471 R C -1.387 174.711 176.300 -0.336 0.000 0.959 471 R CA -0.390 55.529 56.100 -0.301 0.000 0.851 471 R CB 1.416 31.579 30.300 -0.228 0.000 1.168 471 R HN 0.736 nan 8.270 nan 0.000 0.472 472 c N 3.156 121.439 118.600 -0.527 0.000 2.295 472 c HA 0.509 3.670 4.570 -2.348 0.000 0.331 472 c C 0.777 174.620 174.090 -0.412 0.000 1.280 472 c CA -0.251 55.669 56.329 -0.681 0.000 1.746 472 c CB 0.850 42.886 42.510 -0.790 0.000 2.328 472 c HN 0.862 nan 8.230 nan 0.000 0.521 473 S N 3.260 118.816 115.700 -0.240 0.000 2.629 473 S HA 0.591 3.652 4.470 -2.348 0.000 0.236 473 S C 0.426 174.989 174.600 -0.060 0.000 1.010 473 S CA 0.329 58.460 58.200 -0.114 0.000 0.981 473 S CB 0.348 63.510 63.200 -0.063 0.000 0.919 473 S HN 1.550 nan 8.310 nan 0.000 0.514 474 G N 2.006 110.758 108.800 -0.081 0.000 2.336 474 G HA2 0.242 2.793 3.960 -2.348 0.000 0.300 474 G HA3 0.242 2.793 3.960 -2.348 0.000 0.300 474 G C -3.027 171.859 174.900 -0.023 0.000 1.375 474 G CA -0.698 44.393 45.100 -0.016 0.000 0.885 474 G HN -0.180 nan 8.290 nan 0.000 0.599 475 P HA 0.117 nan 4.420 nan 0.000 0.229 475 P C 1.331 178.640 177.300 0.016 0.000 1.160 475 P CA 1.443 64.572 63.100 0.048 0.000 0.777 475 P CB 0.247 31.971 31.700 0.042 0.000 0.814 476 G N 0.310 109.049 108.800 -0.102 0.000 2.535 476 G HA2 0.394 2.945 3.960 -2.348 0.000 0.282 476 G HA3 0.394 2.945 3.960 -2.348 0.000 0.282 476 G C -0.291 174.341 174.900 -0.448 0.000 1.350 476 G CA -0.756 44.187 45.100 -0.261 0.000 1.039 476 G HN 0.029 nan 8.290 nan 0.000 0.509 477 L N 1.345 122.249 121.223 -0.532 0.000 2.499 477 L HA 0.139 3.070 4.340 -2.348 0.000 0.273 477 L C -1.807 174.935 176.870 -0.214 0.000 1.195 477 L CA -1.229 53.315 54.840 -0.493 0.000 0.882 477 L CB 0.404 42.254 42.059 -0.349 0.000 1.133 477 L HN 0.236 nan 8.230 nan 0.000 0.483 478 P HA -0.105 nan 4.420 nan 0.000 0.262 478 P C -0.830 176.466 177.300 -0.008 0.000 1.151 478 P CA 0.471 63.549 63.100 -0.036 0.000 0.757 478 P CB 0.325 32.124 31.700 0.165 0.000 0.754 479 L N 5.603 126.734 121.223 -0.154 0.000 2.470 479 L HA 0.472 3.404 4.340 -2.348 0.000 0.268 479 L C -1.805 174.957 176.870 -0.180 0.000 0.964 479 L CA -0.668 54.139 54.840 -0.055 0.000 0.839 479 L CB 1.239 43.248 42.059 -0.084 0.000 1.276 479 L HN 0.240 nan 8.230 nan 0.000 0.403 480 Y N 2.935 123.186 120.300 -0.082 0.000 2.328 480 Y HA 0.716 3.857 4.550 -2.348 0.000 0.336 480 Y C 0.295 176.085 175.900 -0.183 0.000 0.960 480 Y CA -0.582 57.449 58.100 -0.116 0.000 1.134 480 Y CB 2.229 40.596 38.460 -0.156 0.000 1.166 480 Y HN 0.665 nan 8.280 nan 0.000 0.464 481 T N 1.468 116.012 114.554 -0.018 0.000 2.906 481 T HA 0.630 3.571 4.350 -2.348 0.000 0.295 481 T C -1.275 173.268 174.700 -0.262 0.000 1.061 481 T CA -0.932 61.077 62.100 -0.152 0.000 1.000 481 T CB 1.840 70.658 68.868 -0.083 0.000 1.103 481 T HN 0.536 nan 8.240 nan 0.000 0.486 482 L N 2.395 123.335 121.223 -0.471 0.000 2.317 482 L HA 0.557 3.488 4.340 -2.348 0.000 0.281 482 L C -0.675 175.772 176.870 -0.706 0.000 1.024 482 L CA -0.774 53.836 54.840 -0.382 0.000 0.810 482 L CB 1.099 43.050 42.059 -0.179 0.000 1.240 482 L HN 0.825 nan 8.230 nan 0.000 0.427 483 H N 1.681 120.542 119.070 -0.348 0.000 2.851 483 H HA 0.276 3.423 4.556 -2.348 0.000 0.372 483 H C -0.612 174.461 175.328 -0.426 0.000 1.158 483 H CA -0.747 54.981 56.048 -0.534 0.000 1.159 483 H CB 2.234 31.331 29.762 -1.107 0.000 1.757 483 H HN 0.537 nan 8.280 nan 0.000 0.546 484 S N 0.500 116.111 115.700 -0.148 0.000 2.525 484 S HA 0.117 3.179 4.470 -2.348 0.000 0.278 484 S C 1.146 175.672 174.600 -0.124 0.000 1.234 484 S CA -0.289 57.776 58.200 -0.225 0.000 1.058 484 S CB 1.471 64.538 63.200 -0.221 0.000 0.983 484 S HN 0.701 nan 8.310 nan 0.000 0.495 485 S N 2.368 118.042 115.700 -0.043 0.000 2.501 485 S HA -0.024 3.038 4.470 -2.348 0.000 0.220 485 S C 1.543 176.158 174.600 0.025 0.000 0.997 485 S CA 0.390 58.691 58.200 0.168 0.000 0.919 485 S CB -0.726 62.620 63.200 0.243 0.000 0.778 485 S HN 0.568 nan 8.310 nan 0.000 0.523 486 V N 3.810 123.683 119.914 -0.068 0.000 2.332 486 V HA -0.225 2.486 4.120 -2.348 0.000 0.248 486 V C 2.332 178.399 176.094 -0.045 0.000 1.055 486 V CA 2.214 64.479 62.300 -0.060 0.000 1.038 486 V CB -1.057 30.710 31.823 -0.095 0.000 0.651 486 V HN 0.837 nan 8.190 nan 0.000 0.450 487 N N -3.183 115.490 118.700 -0.046 0.000 2.382 487 N HA 0.037 3.368 4.740 -2.348 0.000 0.200 487 N C 0.470 175.964 175.510 -0.026 0.000 1.122 487 N CA 0.637 53.666 53.050 -0.035 0.000 0.870 487 N CB 0.232 38.700 38.487 -0.032 0.000 1.176 487 N HN 0.308 nan 8.380 nan 0.000 0.474 488 D N -0.481 119.913 120.400 -0.010 0.000 3.059 488 D HA -0.140 3.091 4.640 -2.348 0.000 0.208 488 D C -0.692 175.616 176.300 0.012 0.000 1.079 488 D CA 0.901 54.913 54.000 0.019 0.000 0.986 488 D CB -1.232 39.569 40.800 0.001 0.000 1.090 488 D HN 0.744 nan 8.370 nan 0.000 0.428 489 K N 0.507 120.905 120.400 -0.002 0.000 2.168 489 K HA 0.514 3.425 4.320 -2.348 0.000 0.258 489 K C 0.848 177.460 176.600 0.020 0.000 1.010 489 K CA -0.083 56.206 56.287 0.005 0.000 0.929 489 K CB 0.782 33.274 32.500 -0.013 0.000 0.998 489 K HN -0.035 nan 8.250 nan 0.000 0.479 490 G N 1.509 110.318 108.800 0.015 0.000 2.442 490 G HA2 0.213 2.765 3.960 -2.348 0.000 0.249 490 G HA3 0.213 2.765 3.960 -2.348 0.000 0.249 490 G C 0.219 175.035 174.900 -0.140 0.000 1.263 490 G CA -0.774 44.268 45.100 -0.097 0.000 0.846 490 G HN 0.642 nan 8.290 nan 0.000 0.555 491 L N 1.155 122.241 121.223 -0.229 0.000 2.262 491 L HA 0.367 3.299 4.340 -2.348 0.000 0.197 491 L C 1.464 178.261 176.870 -0.122 0.000 1.073 491 L CA 0.568 55.334 54.840 -0.123 0.000 0.800 491 L CB 0.035 42.056 42.059 -0.065 0.000 0.987 491 L HN 0.772 nan 8.230 nan 0.000 0.470 492 R N -1.776 118.611 120.500 -0.189 0.000 2.739 492 R HA 0.307 3.239 4.340 -2.348 0.000 0.266 492 R C -1.549 174.634 176.300 -0.194 0.000 1.044 492 R CA -0.871 55.140 56.100 -0.149 0.000 0.885 492 R CB 1.116 31.359 30.300 -0.094 0.000 1.260 492 R HN -0.270 nan 8.270 nan 0.000 0.477 493 V N 3.701 123.529 119.914 -0.143 0.000 2.479 493 V HA 0.053 2.764 4.120 -2.348 0.000 0.281 493 V C 1.518 177.498 176.094 -0.191 0.000 1.031 493 V CA 0.041 62.257 62.300 -0.139 0.000 1.038 493 V CB 0.686 32.461 31.823 -0.081 0.000 0.981 493 V HN 0.652 nan 8.190 nan 0.000 0.478 494 L N 2.662 123.709 121.223 -0.294 0.000 2.168 494 L HA 0.246 3.177 4.340 -2.348 0.000 0.203 494 L C 0.842 177.507 176.870 -0.341 0.000 1.078 494 L CA 0.805 55.312 54.840 -0.556 0.000 0.780 494 L CB 0.169 41.536 42.059 -1.153 0.000 0.939 494 L HN 0.703 nan 8.230 nan 0.000 0.451 495 E N -0.220 119.889 120.200 -0.150 0.000 2.311 495 E HA 0.102 3.043 4.350 -2.348 0.000 0.281 495 E C -1.209 175.435 176.600 0.074 0.000 0.905 495 E CA -0.373 56.026 56.400 -0.001 0.000 0.778 495 E CB 1.212 30.907 29.700 -0.008 0.000 1.240 495 E HN 0.154 nan 8.360 nan 0.000 0.410 496 D N 3.097 123.523 120.400 0.043 0.000 2.469 496 D HA 0.125 3.356 4.640 -2.348 0.000 0.215 496 D C -0.409 175.906 176.300 0.024 0.000 1.154 496 D CA -0.294 53.725 54.000 0.032 0.000 0.832 496 D CB -0.088 40.712 40.800 -0.000 0.000 1.008 496 D HN 0.455 nan 8.370 nan 0.000 0.506 497 N N 0.651 119.378 118.700 0.044 0.000 2.725 497 N HA -0.170 3.161 4.740 -2.348 0.000 0.251 497 N C 0.475 175.994 175.510 0.015 0.000 1.031 497 N CA 0.861 53.933 53.050 0.036 0.000 0.720 497 N CB -1.022 37.486 38.487 0.035 0.000 0.930 497 N HN 0.378 nan 8.380 nan 0.000 0.543 498 S N -0.793 114.916 115.700 0.016 0.000 2.395 498 S HA 0.032 3.093 4.470 -2.348 0.000 0.225 498 S C 2.167 176.781 174.600 0.022 0.000 1.027 498 S CA 0.676 58.881 58.200 0.009 0.000 0.965 498 S CB -0.074 63.130 63.200 0.005 0.000 0.812 498 S HN 0.583 nan 8.310 nan 0.000 0.482 499 A N 2.374 125.214 122.820 0.034 0.000 1.884 499 A HA -0.130 2.781 4.320 -2.348 0.000 0.219 499 A C 2.190 179.816 177.584 0.071 0.000 1.197 499 A CA 1.861 53.927 52.037 0.050 0.000 0.637 499 A CB -0.998 18.033 19.000 0.051 0.000 0.827 499 A HN 0.420 nan 8.150 nan 0.000 0.450 500 L N 0.219 121.488 121.223 0.076 0.000 2.046 500 L HA -0.144 2.787 4.340 -2.348 0.000 0.208 500 L C 1.935 178.837 176.870 0.053 0.000 1.077 500 L CA 2.729 57.629 54.840 0.100 0.000 0.747 500 L CB -0.889 41.231 42.059 0.101 0.000 0.896 500 L HN 0.552 nan 8.230 nan 0.000 0.432 501 D N -0.894 119.512 120.400 0.010 0.000 2.178 501 D HA -0.259 2.972 4.640 -2.348 0.000 0.201 501 D C 2.245 178.546 176.300 0.002 0.000 0.980 501 D CA 1.278 55.265 54.000 -0.021 0.000 0.842 501 D CB -0.002 40.777 40.800 -0.036 0.000 0.948 501 D HN 0.300 nan 8.370 nan 0.000 0.472 502 K N -0.774 119.641 120.400 0.026 0.000 2.228 502 K HA 0.007 2.918 4.320 -2.348 0.000 0.202 502 K C 1.938 178.575 176.600 0.061 0.000 1.051 502 K CA 0.594 56.902 56.287 0.035 0.000 0.960 502 K CB 0.051 32.572 32.500 0.035 0.000 0.743 502 K HN 0.217 nan 8.250 nan 0.000 0.458 503 M N 0.137 119.797 119.600 0.100 0.000 2.447 503 M HA -0.048 3.023 4.480 -2.348 0.000 0.264 503 M C 0.878 177.245 176.300 0.111 0.000 1.095 503 M CA 0.500 55.905 55.300 0.175 0.000 1.125 503 M CB 0.307 33.107 32.600 0.333 0.000 1.389 503 M HN 0.064 nan 8.290 nan 0.000 0.459 504 L N 0.063 121.287 121.223 0.003 0.000 2.599 504 L HA 0.016 2.948 4.340 -2.348 0.000 0.230 504 L C 2.036 178.890 176.870 -0.026 0.000 1.141 504 L CA 1.165 55.954 54.840 -0.085 0.000 0.877 504 L CB -1.251 40.744 42.059 -0.108 0.000 1.009 504 L HN 0.341 nan 8.230 nan 0.000 0.447 505 Q N 0.893 120.699 119.800 0.009 0.000 2.062 505 Q HA -0.209 2.722 4.340 -2.348 0.000 0.209 505 Q C 0.981 177.000 176.000 0.031 0.000 0.996 505 Q CA 1.961 57.774 55.803 0.016 0.000 0.859 505 Q CB -0.057 28.695 28.738 0.023 0.000 0.920 505 Q HN 0.620 nan 8.270 nan 0.000 0.415 506 N N -0.872 117.858 118.700 0.050 0.000 2.389 506 N HA 0.087 3.418 4.740 -2.348 0.000 0.260 506 N C -1.031 174.524 175.510 0.075 0.000 1.191 506 N CA -0.030 53.063 53.050 0.072 0.000 0.885 506 N CB 0.549 39.087 38.487 0.084 0.000 1.162 506 N HN -0.106 nan 8.380 nan 0.000 0.512 507 V N 0.803 120.743 119.914 0.044 0.000 2.472 507 V HA 0.242 2.953 4.120 -2.348 0.000 0.290 507 V C 0.332 176.444 176.094 0.029 0.000 1.037 507 V CA -0.742 61.581 62.300 0.038 0.000 0.908 507 V CB 1.744 33.539 31.823 -0.048 0.000 0.985 507 V HN 0.210 nan 8.190 nan 0.000 0.454 508 Q N 4.359 124.195 119.800 0.059 0.000 2.534 508 Q HA 0.336 3.267 4.340 -2.348 0.000 0.223 508 Q C -0.418 175.583 176.000 0.002 0.000 1.239 508 Q CA -0.220 55.600 55.803 0.029 0.000 0.936 508 Q CB 0.501 29.293 28.738 0.091 0.000 1.457 508 Q HN 0.546 nan 8.270 nan 0.000 0.547 509 M N 3.371 122.947 119.600 -0.040 0.000 2.288 509 M HA 0.395 3.467 4.480 -2.348 0.000 0.334 509 M C -2.025 174.229 176.300 -0.076 0.000 1.150 509 M CA -2.558 52.709 55.300 -0.056 0.000 1.118 509 M CB 0.127 32.693 32.600 -0.058 0.000 1.501 509 M HN 0.302 nan 8.290 nan 0.000 0.462 510 P HA 0.234 nan 4.420 nan 0.000 0.274 510 P C -1.034 176.206 177.300 -0.099 0.000 1.256 510 P CA -0.365 62.668 63.100 -0.112 0.000 0.795 510 P CB 0.475 32.092 31.700 -0.137 0.000 1.038 511 S N -0.706 114.922 115.700 -0.120 0.000 2.532 511 S HA 0.499 3.560 4.470 -2.348 0.000 0.301 511 S C -0.472 174.053 174.600 -0.126 0.000 1.083 511 S CA -0.946 57.196 58.200 -0.097 0.000 1.025 511 S CB 1.927 65.069 63.200 -0.097 0.000 1.056 511 S HN 0.458 nan 8.310 nan 0.000 0.494 512 K N 1.321 121.672 120.400 -0.081 0.000 2.183 512 K HA 0.331 3.243 4.320 -2.348 0.000 0.274 512 K C -0.819 175.736 176.600 -0.075 0.000 1.009 512 K CA -0.519 55.719 56.287 -0.082 0.000 0.888 512 K CB 0.909 33.383 32.500 -0.043 0.000 1.078 512 K HN 0.730 nan 8.250 nan 0.000 0.459 513 K N 5.489 125.834 120.400 -0.092 0.000 2.235 513 K HA 0.290 3.201 4.320 -2.348 0.000 0.266 513 K C -1.287 175.288 176.600 -0.042 0.000 0.980 513 K CA -0.634 55.613 56.287 -0.067 0.000 0.849 513 K CB 0.954 33.401 32.500 -0.089 0.000 1.098 513 K HN 0.570 nan 8.250 nan 0.000 0.445 514 L N 4.676 125.885 121.223 -0.023 0.000 2.316 514 L HA 0.438 3.369 4.340 -2.348 0.000 0.280 514 L C -1.318 175.566 176.870 0.022 0.000 1.006 514 L CA -0.263 54.590 54.840 0.021 0.000 0.836 514 L CB 1.187 43.307 42.059 0.101 0.000 1.221 514 L HN 0.836 nan 8.230 nan 0.000 0.418 515 D N 2.784 123.019 120.400 -0.276 0.000 2.677 515 D HA 0.441 3.672 4.640 -2.348 0.000 0.298 515 D C -1.364 174.523 176.300 -0.688 0.000 1.250 515 D CA -0.060 53.672 54.000 -0.447 0.000 0.888 515 D CB 2.340 42.841 40.800 -0.499 0.000 1.397 515 D HN 0.202 nan 8.370 nan 0.000 0.461 516 F N -0.161 119.393 119.950 -0.659 0.000 2.618 516 F HA 0.784 3.910 4.527 -2.335 0.000 0.332 516 F C -0.433 175.432 175.800 0.107 0.000 1.061 516 F CA -1.060 56.634 58.000 -0.511 0.000 0.974 516 F CB 0.785 39.006 39.000 -1.297 0.000 1.310 516 F HN 0.220 nan 8.300 nan 0.000 0.491 517 I N 0.046 120.908 120.570 0.487 0.000 2.689 517 I HA 0.612 3.374 4.170 -2.348 0.000 0.299 517 I C -1.308 175.071 176.117 0.437 0.000 1.059 517 I CA -1.116 60.422 61.300 0.398 0.000 1.055 517 I CB 2.293 40.494 38.000 0.334 0.000 1.243 517 I HN 0.611 nan 8.210 nan 0.000 0.425 518 I N 5.592 126.358 120.570 0.327 0.000 2.331 518 I HA 0.438 3.199 4.170 -2.348 0.000 0.292 518 I C -0.657 175.608 176.117 0.247 0.000 0.998 518 I CA -0.364 61.089 61.300 0.254 0.000 1.267 518 I CB 1.309 39.419 38.000 0.183 0.000 1.386 518 I HN 0.382 nan 8.210 nan 0.000 0.476 519 L N 6.068 127.484 121.223 0.322 0.000 2.436 519 L HA 0.391 3.322 4.340 -2.348 0.000 0.268 519 L C 0.047 177.069 176.870 0.255 0.000 0.974 519 L CA -0.740 54.272 54.840 0.286 0.000 0.826 519 L CB 1.724 43.981 42.059 0.330 0.000 1.291 519 L HN 0.617 nan 8.230 nan 0.000 0.406 520 N N 2.516 121.301 118.700 0.141 0.000 2.714 520 N HA -0.218 3.113 4.740 -2.348 0.000 0.252 520 N C -0.285 175.271 175.510 0.077 0.000 1.014 520 N CA 1.001 54.108 53.050 0.094 0.000 0.735 520 N CB -0.667 37.871 38.487 0.087 0.000 0.924 520 N HN 0.801 nan 8.380 nan 0.000 0.540 521 E N -3.565 116.676 120.200 0.068 0.000 2.971 521 E HA -0.257 2.684 4.350 -2.348 0.000 0.278 521 E C -0.641 175.961 176.600 0.003 0.000 1.009 521 E CA 1.179 57.601 56.400 0.037 0.000 0.862 521 E CB -1.482 28.231 29.700 0.021 0.000 1.436 521 E HN 0.462 nan 8.360 nan 0.000 0.434 522 T N 0.406 114.962 114.554 0.004 0.000 2.861 522 T HA 0.298 3.239 4.350 -2.348 0.000 0.287 522 T C -0.208 174.332 174.700 -0.266 0.000 1.003 522 T CA -0.810 61.196 62.100 -0.157 0.000 0.977 522 T CB 1.787 70.522 68.868 -0.223 0.000 0.996 522 T HN -0.012 nan 8.240 nan 0.000 0.448 523 K N 2.254 122.429 120.400 -0.375 0.000 2.350 523 K HA 0.398 3.309 4.320 -2.348 0.000 0.279 523 K C -1.074 175.184 176.600 -0.570 0.000 1.027 523 K CA 0.192 56.251 56.287 -0.381 0.000 0.969 523 K CB 0.420 32.604 32.500 -0.527 0.000 0.954 523 K HN 0.408 nan 8.250 nan 0.000 0.474 524 F N 1.542 121.539 119.950 0.078 0.000 2.561 524 F HA 0.290 3.406 4.527 -2.351 0.000 0.313 524 F C -0.664 175.227 175.800 0.151 0.000 1.126 524 F CA -0.857 57.209 58.000 0.110 0.000 0.918 524 F CB 1.066 40.147 39.000 0.134 0.000 1.199 524 F HN 0.434 nan 8.300 nan 0.000 0.444 525 W N 3.518 124.977 121.300 0.265 0.000 2.365 525 W HA 0.541 3.794 4.660 -2.344 0.000 0.316 525 W C -0.673 176.054 176.519 0.348 0.000 1.164 525 W CA -0.677 56.837 57.345 0.281 0.000 1.204 525 W CB 0.847 30.402 29.460 0.159 0.000 1.213 525 W HN 0.441 nan 8.180 nan 0.000 0.539 526 Y N 0.125 120.787 120.300 0.603 0.000 2.570 526 Y HA 0.694 3.860 4.550 -2.307 0.000 0.345 526 Y C -0.694 175.449 175.900 0.406 0.000 1.014 526 Y CA -1.866 56.591 58.100 0.595 0.000 1.063 526 Y CB 1.181 40.121 38.460 0.801 0.000 1.272 526 Y HN 0.553 nan 8.280 nan 0.000 0.477 527 Q N 2.471 122.529 119.800 0.430 0.000 2.375 527 Q HA 0.703 3.634 4.340 -2.348 0.000 0.271 527 Q C -1.659 174.460 176.000 0.198 0.000 1.074 527 Q CA -1.077 54.859 55.803 0.223 0.000 0.808 527 Q CB 2.964 31.789 28.738 0.144 0.000 1.327 527 Q HN 0.868 nan 8.270 nan 0.000 0.441 528 M N 2.931 122.577 119.600 0.076 0.000 2.253 528 M HA 0.397 3.468 4.480 -2.348 0.000 0.314 528 M C -1.084 175.145 176.300 -0.118 0.000 1.019 528 M CA -0.984 54.283 55.300 -0.055 0.000 0.932 528 M CB 1.881 34.393 32.600 -0.147 0.000 1.606 528 M HN 0.610 nan 8.290 nan 0.000 0.430 529 I N 5.409 125.909 120.570 -0.117 0.000 2.347 529 I HA 0.250 3.011 4.170 -2.348 0.000 0.294 529 I C -0.312 175.663 176.117 -0.236 0.000 1.090 529 I CA -0.053 61.155 61.300 -0.154 0.000 1.314 529 I CB -0.362 37.567 38.000 -0.118 0.000 1.423 529 I HN 0.626 nan 8.210 nan 0.000 0.503 530 L N 8.686 129.723 121.223 -0.310 0.000 2.295 530 L HA 0.436 3.367 4.340 -2.348 0.000 0.285 530 L C -2.114 174.567 176.870 -0.314 0.000 1.035 530 L CA -1.835 52.723 54.840 -0.470 0.000 0.806 530 L CB 1.263 42.880 42.059 -0.737 0.000 1.214 530 L HN 0.268 nan 8.230 nan 0.000 0.426 531 P HA 0.018 nan 4.420 nan 0.000 0.267 531 P C -2.407 174.860 177.300 -0.055 0.000 1.201 531 P CA -0.724 62.301 63.100 -0.125 0.000 0.775 531 P CB -0.307 31.351 31.700 -0.071 0.000 0.854 532 P HA -0.093 nan 4.420 nan 0.000 0.269 532 P C 0.008 177.305 177.300 -0.006 0.000 1.217 532 P CA 0.603 63.631 63.100 -0.121 0.000 0.783 532 P CB -0.041 31.557 31.700 -0.169 0.000 0.898 533 H N -2.076 117.041 119.070 0.078 0.000 2.690 533 H HA -0.218 2.927 4.556 -2.351 0.000 0.309 533 H C 0.223 175.619 175.328 0.113 0.000 1.138 533 H CA 0.202 56.298 56.048 0.080 0.000 1.142 533 H CB -2.316 27.483 29.762 0.062 0.000 1.410 533 H HN 0.402 nan 8.280 nan 0.000 0.409 534 F N 2.441 122.403 119.950 0.020 0.000 2.629 534 F HA 0.131 3.202 4.527 -2.428 0.000 0.377 534 F C 0.537 176.367 175.800 0.049 0.000 1.101 534 F CA 0.024 58.005 58.000 -0.032 0.000 1.301 534 F CB 0.560 39.425 39.000 -0.224 0.000 1.062 534 F HN 0.130 nan 8.300 nan 0.000 0.583 535 D N 5.750 125.736 120.400 -0.690 0.000 2.471 535 D HA 0.197 3.428 4.640 -2.348 0.000 0.245 535 D C 0.459 176.296 176.300 -0.771 0.000 1.116 535 D CA -0.450 53.233 54.000 -0.528 0.000 0.853 535 D CB 1.339 42.028 40.800 -0.184 0.000 1.123 535 D HN 0.641 nan 8.370 nan 0.000 0.540 536 K N 0.891 120.891 120.400 -0.666 0.000 2.281 536 K HA -0.073 2.838 4.320 -2.348 0.000 0.203 536 K C 1.514 178.084 176.600 -0.051 0.000 1.046 536 K CA 0.761 56.871 56.287 -0.294 0.000 0.938 536 K CB 0.212 32.676 32.500 -0.059 0.000 0.737 536 K HN 0.190 nan 8.250 nan 0.000 0.458 537 S N 0.518 116.156 115.700 -0.103 0.000 2.453 537 S HA -0.010 3.051 4.470 -2.348 0.000 0.231 537 S C 0.574 175.130 174.600 -0.074 0.000 1.005 537 S CA 0.844 59.008 58.200 -0.060 0.000 0.949 537 S CB 0.115 63.272 63.200 -0.073 0.000 0.774 537 S HN 0.143 nan 8.310 nan 0.000 0.510 538 K N 1.676 122.001 120.400 -0.126 0.000 2.098 538 K HA 0.314 3.225 4.320 -2.348 0.000 0.244 538 K C -0.128 176.392 176.600 -0.132 0.000 1.014 538 K CA -0.038 56.111 56.287 -0.230 0.000 0.917 538 K CB 0.417 32.596 32.500 -0.535 0.000 1.072 538 K HN -0.215 nan 8.250 nan 0.000 0.477 539 K N 2.478 122.754 120.400 -0.206 0.000 2.404 539 K HA 0.227 3.138 4.320 -2.348 0.000 0.257 539 K C -0.973 175.533 176.600 -0.157 0.000 1.026 539 K CA -0.371 55.865 56.287 -0.085 0.000 0.951 539 K CB 0.683 33.135 32.500 -0.080 0.000 1.203 539 K HN 0.462 nan 8.250 nan 0.000 0.446 540 Y N 3.208 123.543 120.300 0.057 0.000 2.320 540 Y HA 0.224 3.342 4.550 -2.387 0.000 0.324 540 Y C -1.565 174.282 175.900 -0.089 0.000 1.190 540 Y CA -1.875 56.234 58.100 0.015 0.000 1.215 540 Y CB 0.563 39.096 38.460 0.123 0.000 1.221 540 Y HN 0.444 nan 8.280 nan 0.000 0.486 541 P HA 0.183 nan 4.420 nan 0.000 0.273 541 P C -1.154 176.035 177.300 -0.185 0.000 1.250 541 P CA -0.276 62.580 63.100 -0.406 0.000 0.793 541 P CB 1.380 32.469 31.700 -1.018 0.000 1.011 542 L N 0.968 122.117 121.223 -0.125 0.000 2.470 542 L HA 0.451 3.382 4.340 -2.348 0.000 0.268 542 L C -1.418 175.672 176.870 0.368 0.000 0.964 542 L CA -1.145 53.776 54.840 0.136 0.000 0.839 542 L CB 1.778 43.916 42.059 0.131 0.000 1.276 542 L HN 0.138 nan 8.230 nan 0.000 0.403 543 L N 5.121 126.557 121.223 0.355 0.000 2.295 543 L HA 0.523 3.454 4.340 -2.348 0.000 0.285 543 L C -1.214 175.897 176.870 0.403 0.000 1.035 543 L CA -0.223 54.864 54.840 0.412 0.000 0.806 543 L CB 1.593 43.834 42.059 0.303 0.000 1.214 543 L HN 0.620 nan 8.230 nan 0.000 0.426 544 L N 5.134 126.646 121.223 0.481 0.000 2.255 544 L HA 0.398 3.329 4.340 -2.348 0.000 0.289 544 L C -0.612 176.514 176.870 0.426 0.000 1.046 544 L CA 0.100 55.216 54.840 0.461 0.000 0.816 544 L CB 0.577 42.944 42.059 0.512 0.000 1.197 544 L HN 0.621 nan 8.230 nan 0.000 0.427 545 D N 4.214 124.847 120.400 0.388 0.000 2.339 545 D HA 0.233 3.464 4.640 -2.348 0.000 0.241 545 D C -0.797 175.604 176.300 0.168 0.000 1.183 545 D CA 0.051 54.215 54.000 0.273 0.000 0.859 545 D CB 1.155 42.177 40.800 0.370 0.000 1.067 545 D HN 0.319 nan 8.370 nan 0.000 0.484 546 V N 4.383 124.317 119.914 0.034 0.000 2.628 546 V HA 0.487 3.198 4.120 -2.348 0.000 0.306 546 V C -0.896 175.283 176.094 0.142 0.000 1.045 546 V CA -0.383 61.992 62.300 0.125 0.000 0.905 546 V CB 1.819 33.720 31.823 0.131 0.000 0.997 546 V HN 0.621 nan 8.190 nan 0.000 0.436 547 Y N 4.951 125.319 120.300 0.113 0.000 2.972 547 Y HA 0.566 3.705 4.550 -2.350 0.000 0.229 547 Y C 1.786 177.829 175.900 0.239 0.000 0.980 547 Y CA 1.378 59.576 58.100 0.164 0.000 1.475 547 Y CB 0.265 38.804 38.460 0.132 0.000 1.459 547 Y HN 1.278 nan 8.280 nan 0.000 0.460 548 A N 0.849 123.861 122.820 0.319 0.000 2.861 548 A HA -0.173 2.739 4.320 -2.348 0.000 0.261 548 A C 0.944 178.503 177.584 -0.042 0.000 1.351 548 A CA 0.856 53.011 52.037 0.196 0.000 0.904 548 A CB -2.475 16.664 19.000 0.231 0.000 1.076 548 A HN 0.885 nan 8.150 nan 0.000 0.729 549 G N -0.943 107.683 108.800 -0.289 0.000 2.651 549 G HA2 0.466 3.017 3.960 -2.348 0.000 0.260 549 G HA3 0.466 3.017 3.960 -2.348 0.000 0.260 549 G C -2.238 172.428 174.900 -0.390 0.000 1.216 549 G CA -0.756 43.794 45.100 -0.917 0.000 0.913 549 G HN 0.303 nan 8.290 nan 0.000 0.535 550 P HA 0.082 nan 4.420 nan 0.000 0.261 550 P C 0.523 177.673 177.300 -0.249 0.000 1.183 550 P CA 0.137 62.944 63.100 -0.487 0.000 0.761 550 P CB 0.580 31.540 31.700 -1.233 0.000 0.785 551 C N 2.754 121.965 119.300 -0.150 0.000 4.397 551 C HA -0.151 2.901 4.460 -2.348 0.000 0.291 551 C C 1.078 176.103 174.990 0.058 0.000 1.408 551 C CA 1.117 60.028 59.018 -0.178 0.000 1.971 551 C CB -2.701 24.756 27.740 -0.472 0.000 1.258 551 C HN 0.792 nan 8.230 nan 0.000 0.795 552 S N -0.111 115.678 115.700 0.148 0.000 2.655 552 S HA 0.622 3.683 4.470 -2.348 0.000 0.265 552 S C -0.579 174.181 174.600 0.265 0.000 1.240 552 S CA 0.143 58.507 58.200 0.272 0.000 0.986 552 S CB 1.642 65.073 63.200 0.386 0.000 0.985 552 S HN 0.838 nan 8.310 nan 0.000 0.562 553 Q N -0.239 119.723 119.800 0.270 0.000 2.444 553 Q HA 0.301 3.232 4.340 -2.348 0.000 0.239 553 Q C -1.062 175.049 176.000 0.184 0.000 0.853 553 Q CA -0.531 55.424 55.803 0.254 0.000 0.856 553 Q CB 0.929 29.870 28.738 0.338 0.000 1.413 553 Q HN 0.656 nan 8.270 nan 0.000 0.437 554 K N 0.832 121.347 120.400 0.191 0.000 2.358 554 K HA 0.359 3.270 4.320 -2.348 0.000 0.200 554 K C -0.449 176.255 176.600 0.173 0.000 1.030 554 K CA 0.289 56.679 56.287 0.173 0.000 1.097 554 K CB 1.532 34.164 32.500 0.220 0.000 0.862 554 K HN 0.471 nan 8.250 nan 0.000 0.534 555 A N 2.632 125.560 122.820 0.180 0.000 2.316 555 A HA 0.433 3.345 4.320 -2.348 0.000 0.324 555 A C -0.732 176.910 177.584 0.098 0.000 1.375 555 A CA -0.570 51.575 52.037 0.180 0.000 0.882 555 A CB 0.149 19.317 19.000 0.281 0.000 1.152 555 A HN 0.213 nan 8.150 nan 0.000 0.512 556 D N 0.077 120.510 120.400 0.055 0.000 2.798 556 D HA 0.430 3.661 4.640 -2.348 0.000 0.308 556 D C 0.555 176.857 176.300 0.003 0.000 1.187 556 D CA 0.325 54.337 54.000 0.021 0.000 1.033 556 D CB 0.362 41.155 40.800 -0.012 0.000 1.445 556 D HN 0.184 nan 8.370 nan 0.000 0.550 557 T N -2.521 112.048 114.554 0.025 0.000 3.105 557 T HA 0.294 3.235 4.350 -2.348 0.000 0.253 557 T C 0.472 175.149 174.700 -0.038 0.000 1.047 557 T CA -0.310 61.808 62.100 0.031 0.000 0.944 557 T CB -0.588 68.342 68.868 0.103 0.000 1.016 557 T HN 0.238 nan 8.240 nan 0.000 0.544 558 V N 2.602 122.392 119.914 -0.206 0.000 2.637 558 V HA 0.334 3.045 4.120 -2.348 0.000 0.296 558 V C 0.082 176.125 176.094 -0.086 0.000 1.046 558 V CA -0.880 61.257 62.300 -0.271 0.000 1.066 558 V CB 0.155 31.667 31.823 -0.519 0.000 0.968 558 V HN 0.539 nan 8.190 nan 0.000 0.483 559 F N 6.142 125.998 119.950 -0.156 0.000 2.410 559 F HA 0.568 3.686 4.527 -2.348 0.000 0.348 559 F C 0.491 176.233 175.800 -0.097 0.000 1.106 559 F CA -0.239 57.694 58.000 -0.113 0.000 1.163 559 F CB 0.410 39.353 39.000 -0.095 0.000 1.129 559 F HN 0.414 nan 8.300 nan 0.000 0.516 560 R N 6.336 126.309 120.500 -0.877 0.000 2.686 560 R HA 0.524 3.456 4.340 -2.348 0.000 0.283 560 R C -1.545 174.318 176.300 -0.728 0.000 0.978 560 R CA -1.004 54.751 56.100 -0.576 0.000 0.897 560 R CB 2.055 32.173 30.300 -0.303 0.000 1.192 560 R HN 0.666 nan 8.270 nan 0.000 0.457 561 L N 4.410 125.408 121.223 -0.376 0.000 2.335 561 L HA 0.359 3.290 4.340 -2.348 0.000 0.268 561 L C -0.673 176.171 176.870 -0.044 0.000 1.037 561 L CA -0.630 54.048 54.840 -0.269 0.000 0.895 561 L CB 0.191 42.213 42.059 -0.061 0.000 1.266 561 L HN 0.737 nan 8.230 nan 0.000 0.439 562 N N -0.162 118.432 118.700 -0.177 0.000 3.343 562 N HA 0.163 3.494 4.740 -2.348 0.000 0.330 562 N C 0.257 175.445 175.510 -0.536 0.000 1.560 562 N CA -0.898 51.959 53.050 -0.323 0.000 0.752 562 N CB 0.235 38.654 38.487 -0.113 0.000 1.863 562 N HN 0.223 nan 8.380 nan 0.000 0.636 563 W N 0.482 121.252 121.300 -0.884 0.000 2.350 563 W HA 0.133 3.390 4.660 -2.339 0.000 0.289 563 W C 1.924 178.396 176.519 -0.079 0.000 1.215 563 W CA 2.612 59.653 57.345 -0.507 0.000 1.236 563 W CB -0.920 28.386 29.460 -0.255 0.000 1.130 563 W HN 0.705 nan 8.180 nan 0.000 0.541 564 A N -0.756 122.017 122.820 -0.077 0.000 2.015 564 A HA -0.146 2.765 4.320 -2.348 0.000 0.219 564 A C 1.927 179.411 177.584 -0.167 0.000 1.163 564 A CA 2.168 54.104 52.037 -0.168 0.000 0.646 564 A CB -1.129 17.855 19.000 -0.027 0.000 0.806 564 A HN 0.276 nan 8.150 nan 0.000 0.448 565 T N -1.338 113.142 114.554 -0.124 0.000 2.708 565 T HA -0.193 2.748 4.350 -2.348 0.000 0.266 565 T C 1.757 176.522 174.700 0.108 0.000 1.037 565 T CA 1.528 63.554 62.100 -0.124 0.000 1.146 565 T CB -0.554 68.077 68.868 -0.396 0.000 0.865 565 T HN 0.648 nan 8.240 nan 0.000 0.435 566 Y N 2.008 122.408 120.300 0.167 0.000 2.081 566 Y HA -0.189 2.956 4.550 -2.342 0.000 0.280 566 Y C 2.062 177.942 175.900 -0.034 0.000 1.163 566 Y CA 1.262 59.443 58.100 0.135 0.000 1.135 566 Y CB -0.473 38.040 38.460 0.089 0.000 0.970 566 Y HN 0.083 nan 8.280 nan 0.000 0.498 567 L N 0.095 120.938 121.223 -0.634 0.000 2.131 567 L HA -0.208 2.723 4.340 -2.348 0.000 0.210 567 L C 2.797 179.440 176.870 -0.378 0.000 1.092 567 L CA 1.032 55.425 54.840 -0.744 0.000 0.759 567 L CB -0.847 40.793 42.059 -0.699 0.000 0.903 567 L HN 0.436 nan 8.230 nan 0.000 0.435 568 A N -1.028 121.646 122.820 -0.243 0.000 1.855 568 A HA -0.163 2.748 4.320 -2.348 0.000 0.213 568 A C 2.505 180.038 177.584 -0.084 0.000 1.195 568 A CA 1.562 53.509 52.037 -0.150 0.000 0.610 568 A CB -0.717 18.191 19.000 -0.152 0.000 0.837 568 A HN 0.287 nan 8.150 nan 0.000 0.444 569 S N -0.989 114.688 115.700 -0.039 0.000 2.351 569 S HA -0.162 2.899 4.470 -2.348 0.000 0.220 569 S C 2.058 176.696 174.600 0.063 0.000 1.035 569 S CA 2.538 60.766 58.200 0.046 0.000 1.031 569 S CB -0.516 62.780 63.200 0.160 0.000 0.928 569 S HN 0.601 nan 8.310 nan 0.000 0.433 570 T N 1.305 115.887 114.554 0.047 0.000 2.901 570 T HA 0.149 3.090 4.350 -2.348 0.000 0.252 570 T C 1.412 176.111 174.700 -0.001 0.000 1.035 570 T CA 0.680 62.828 62.100 0.079 0.000 1.142 570 T CB -0.160 68.850 68.868 0.237 0.000 0.869 570 T HN 0.342 nan 8.240 nan 0.000 0.442 571 E N 1.289 121.395 120.200 -0.157 0.000 2.479 571 E HA 0.171 3.112 4.350 -2.348 0.000 0.193 571 E C -0.007 176.575 176.600 -0.030 0.000 1.049 571 E CA -0.107 56.228 56.400 -0.108 0.000 0.870 571 E CB -0.389 29.175 29.700 -0.227 0.000 0.944 571 E HN 0.560 nan 8.360 nan 0.000 0.492 572 N N 0.685 119.382 118.700 -0.006 0.000 2.735 572 N HA -0.192 3.139 4.740 -2.348 0.000 0.248 572 N C -0.676 174.903 175.510 0.114 0.000 1.083 572 N CA 0.087 53.193 53.050 0.093 0.000 0.703 572 N CB -1.129 37.466 38.487 0.180 0.000 1.005 572 N HN 0.203 nan 8.380 nan 0.000 0.550 573 I N 1.120 121.689 120.570 -0.002 0.000 2.392 573 I HA 0.327 3.089 4.170 -2.348 0.000 0.295 573 I C 0.678 176.764 176.117 -0.052 0.000 0.985 573 I CA -0.748 60.558 61.300 0.010 0.000 1.221 573 I CB 1.299 39.317 38.000 0.029 0.000 1.366 573 I HN 0.013 nan 8.210 nan 0.000 0.467 574 I N 6.288 126.837 120.570 -0.035 0.000 2.396 574 I HA 0.154 2.915 4.170 -2.348 0.000 0.289 574 I C -0.364 175.739 176.117 -0.025 0.000 1.056 574 I CA -0.410 60.830 61.300 -0.100 0.000 1.365 574 I CB 0.863 38.798 38.000 -0.108 0.000 1.407 574 I HN 0.198 nan 8.210 nan 0.000 0.509 575 V N 6.527 126.414 119.914 -0.045 0.000 2.370 575 V HA 0.688 3.399 4.120 -2.348 0.000 0.283 575 V C 0.342 176.469 176.094 0.055 0.000 1.023 575 V CA -0.406 61.920 62.300 0.043 0.000 0.857 575 V CB 1.128 32.970 31.823 0.031 0.000 0.985 575 V HN 0.852 nan 8.190 nan 0.000 0.443 576 A N 4.018 126.915 122.820 0.130 0.000 2.413 576 A HA 0.968 3.879 4.320 -2.348 0.000 0.307 576 A C -0.338 177.435 177.584 0.315 0.000 1.087 576 A CA -0.554 51.563 52.037 0.133 0.000 0.750 576 A CB 1.924 20.860 19.000 -0.108 0.000 1.296 576 A HN 0.730 nan 8.150 nan 0.000 0.423 577 S N -0.182 115.748 115.700 0.384 0.000 2.546 577 S HA 0.764 3.825 4.470 -2.348 0.000 0.274 577 S C -1.429 173.540 174.600 0.614 0.000 1.121 577 S CA -0.360 58.106 58.200 0.443 0.000 0.887 577 S CB 1.423 64.814 63.200 0.318 0.000 1.094 577 S HN 0.893 nan 8.310 nan 0.000 0.474 578 F N 1.674 121.864 119.950 0.400 0.000 2.561 578 F HA 0.483 3.607 4.527 -2.337 0.000 0.313 578 F C -1.655 174.347 175.800 0.337 0.000 1.126 578 F CA -0.688 57.563 58.000 0.420 0.000 0.918 578 F CB 1.486 40.700 39.000 0.358 0.000 1.199 578 F HN 0.417 nan 8.300 nan 0.000 0.444 579 D N 4.455 124.691 120.400 -0.274 0.000 2.412 579 D HA 0.422 3.653 4.640 -2.348 0.000 0.224 579 D C 0.288 176.286 176.300 -0.503 0.000 1.093 579 D CA 0.126 54.024 54.000 -0.169 0.000 0.850 579 D CB 1.608 42.452 40.800 0.073 0.000 1.046 579 D HN 0.775 nan 8.370 nan 0.000 0.507 580 G N 1.372 110.024 108.800 -0.245 0.000 2.857 580 G HA2 0.321 2.872 3.960 -2.348 0.000 0.217 580 G HA3 0.321 2.872 3.960 -2.348 0.000 0.217 580 G C -0.068 174.878 174.900 0.075 0.000 1.357 580 G CA -0.794 44.199 45.100 -0.179 0.000 1.033 580 G HN 0.291 nan 8.290 nan 0.000 0.571 581 R N -0.373 120.158 120.500 0.052 0.000 2.484 581 R HA 0.378 3.309 4.340 -2.348 0.000 0.293 581 R C 1.102 177.510 176.300 0.180 0.000 1.023 581 R CA 1.470 57.678 56.100 0.180 0.000 1.037 581 R CB 0.425 30.809 30.300 0.140 0.000 0.951 581 R HN 1.064 nan 8.270 nan 0.000 0.418 582 G N 1.497 110.392 108.800 0.159 0.000 2.218 582 G HA2 -0.289 2.262 3.960 -2.348 0.000 0.216 582 G HA3 -0.289 2.262 3.960 -2.348 0.000 0.216 582 G C 0.075 175.012 174.900 0.062 0.000 0.994 582 G CA 0.031 45.203 45.100 0.120 0.000 0.637 582 G HN 0.664 nan 8.290 nan 0.000 0.505 583 S N 0.212 115.961 115.700 0.082 0.000 2.600 583 S HA 0.667 3.728 4.470 -2.348 0.000 0.265 583 S C 0.841 175.434 174.600 -0.012 0.000 1.325 583 S CA 0.200 58.440 58.200 0.067 0.000 1.002 583 S CB 1.875 65.149 63.200 0.123 0.000 0.921 583 S HN 1.554 nan 8.310 nan 0.000 0.554 584 G N -1.054 107.699 108.800 -0.079 0.000 2.511 584 G HA2 0.499 3.050 3.960 -2.348 0.000 0.316 584 G HA3 0.499 3.050 3.960 -2.348 0.000 0.316 584 G C -0.856 173.929 174.900 -0.191 0.000 1.210 584 G CA -1.140 43.735 45.100 -0.375 0.000 0.969 584 G HN 0.980 nan 8.290 nan 0.000 0.492 585 Y N -2.256 118.059 120.300 0.024 0.000 4.490 585 Y HA -0.238 2.902 4.550 -2.350 0.000 0.233 585 Y C 1.395 177.324 175.900 0.048 0.000 1.101 585 Y CA 0.975 59.099 58.100 0.040 0.000 2.010 585 Y CB -1.981 36.518 38.460 0.064 0.000 1.622 585 Y HN 0.561 nan 8.280 nan 0.000 0.675 586 Q N -0.066 119.782 119.800 0.081 0.000 2.103 586 Q HA 0.488 3.420 4.340 -2.348 0.000 0.219 586 Q C 0.901 176.850 176.000 -0.085 0.000 0.784 586 Q CA 0.199 56.059 55.803 0.095 0.000 1.014 586 Q CB 2.093 30.879 28.738 0.081 0.000 1.183 586 Q HN 0.566 nan 8.270 nan 0.000 0.469 587 G N 0.856 109.477 108.800 -0.297 0.000 2.619 587 G HA2 -0.163 2.389 3.960 -2.348 0.000 0.686 587 G HA3 -0.163 2.389 3.960 -2.348 0.000 0.686 587 G C -0.677 173.921 174.900 -0.504 0.000 1.256 587 G CA -0.508 44.182 45.100 -0.682 0.000 0.826 587 G HN 0.032 nan 8.290 nan 0.000 0.619 588 D N 0.226 120.302 120.400 -0.540 0.000 2.224 588 D HA -0.070 3.161 4.640 -2.348 0.000 0.205 588 D C 2.496 178.610 176.300 -0.310 0.000 0.965 588 D CA 1.311 54.996 54.000 -0.525 0.000 0.852 588 D CB 0.100 40.660 40.800 -0.400 0.000 0.947 588 D HN 0.578 nan 8.370 nan 0.000 0.494 589 K N 1.423 121.677 120.400 -0.244 0.000 2.097 589 K HA -0.114 2.797 4.320 -2.348 0.000 0.206 589 K C 1.973 178.529 176.600 -0.072 0.000 1.049 589 K CA 0.832 57.045 56.287 -0.122 0.000 0.933 589 K CB -0.605 31.829 32.500 -0.109 0.000 0.717 589 K HN 0.223 nan 8.250 nan 0.000 0.442 590 I N 0.881 121.391 120.570 -0.099 0.000 2.235 590 I HA -0.149 2.612 4.170 -2.348 0.000 0.241 590 I C 2.903 179.021 176.117 0.002 0.000 1.085 590 I CA 1.078 62.381 61.300 0.005 0.000 1.378 590 I CB -0.164 37.847 38.000 0.018 0.000 1.076 590 I HN 0.145 nan 8.210 nan 0.000 0.415 591 M N 0.038 119.560 119.600 -0.130 0.000 2.132 591 M HA -0.218 2.854 4.480 -2.348 0.000 0.263 591 M C 2.092 178.380 176.300 -0.019 0.000 1.065 591 M CA 1.849 57.069 55.300 -0.135 0.000 1.122 591 M CB -0.246 32.144 32.600 -0.351 0.000 1.365 591 M HN 0.248 nan 8.290 nan 0.000 0.411 592 H N -0.051 118.957 119.070 -0.104 0.000 2.547 592 H HA 0.215 3.362 4.556 -2.348 0.000 0.266 592 H C 1.940 177.316 175.328 0.080 0.000 0.988 592 H CA 0.839 56.825 56.048 -0.104 0.000 1.147 592 H CB -0.408 29.192 29.762 -0.269 0.000 1.365 592 H HN 0.515 nan 8.280 nan 0.000 0.589 593 A N 1.527 124.473 122.820 0.210 0.000 1.978 593 A HA -0.131 2.780 4.320 -2.348 0.000 0.220 593 A C 2.048 179.856 177.584 0.375 0.000 1.170 593 A CA 1.423 53.602 52.037 0.237 0.000 0.636 593 A CB -0.485 18.613 19.000 0.163 0.000 0.810 593 A HN 0.382 nan 8.150 nan 0.000 0.448 594 I N -1.488 119.284 120.570 0.338 0.000 3.861 594 I HA 0.100 2.862 4.170 -2.348 0.000 0.329 594 I C 0.194 176.424 176.117 0.187 0.000 1.321 594 I CA -0.455 60.993 61.300 0.246 0.000 1.126 594 I CB -2.081 36.029 38.000 0.184 0.000 1.018 594 I HN 0.307 nan 8.210 nan 0.000 0.407 595 N N 3.028 121.899 118.700 0.285 0.000 2.365 595 N HA -0.084 3.247 4.740 -2.348 0.000 0.265 595 N C -0.051 175.516 175.510 0.095 0.000 1.288 595 N CA 0.220 53.439 53.050 0.282 0.000 0.869 595 N CB 0.238 38.882 38.487 0.261 0.000 1.071 595 N HN 0.315 nan 8.380 nan 0.000 0.480 596 R N 0.952 121.480 120.500 0.047 0.000 3.776 596 R HA -0.187 2.744 4.340 -2.348 0.000 0.312 596 R C -0.216 175.962 176.300 -0.203 0.000 1.181 596 R CA 0.580 56.656 56.100 -0.041 0.000 0.836 596 R CB -1.172 29.119 30.300 -0.015 0.000 1.324 596 R HN 0.639 nan 8.270 nan 0.000 0.501 597 R N 0.289 120.670 120.500 -0.199 0.000 2.481 597 R HA 0.283 3.214 4.340 -2.348 0.000 0.396 597 R C -0.548 175.732 176.300 -0.035 0.000 0.950 597 R CA -0.196 55.664 56.100 -0.399 0.000 1.095 597 R CB 0.593 30.689 30.300 -0.340 0.000 1.472 597 R HN 0.077 nan 8.270 nan 0.000 0.628 598 L N -0.186 121.086 121.223 0.082 0.000 2.485 598 L HA 0.205 3.136 4.340 -2.348 0.000 0.275 598 L C 1.326 178.436 176.870 0.400 0.000 1.207 598 L CA 1.383 56.320 54.840 0.162 0.000 0.855 598 L CB 0.587 42.553 42.059 -0.156 0.000 1.114 598 L HN 0.685 nan 8.230 nan 0.000 0.485 599 G N 1.011 110.054 108.800 0.404 0.000 2.175 599 G HA2 -0.307 2.244 3.960 -2.348 0.000 0.244 599 G HA3 -0.307 2.244 3.960 -2.348 0.000 0.244 599 G C 0.550 175.505 174.900 0.092 0.000 0.982 599 G CA 0.573 45.834 45.100 0.269 0.000 0.641 599 G HN 0.770 nan 8.290 nan 0.000 0.527 600 T N -2.398 112.174 114.554 0.030 0.000 3.364 600 T HA 0.477 3.418 4.350 -2.348 0.000 0.190 600 T C 1.746 176.390 174.700 -0.094 0.000 0.798 600 T CA 1.159 63.164 62.100 -0.159 0.000 1.773 600 T CB -0.229 68.341 68.868 -0.497 0.000 2.078 600 T HN 0.145 nan 8.240 nan 0.000 0.437 601 F N 3.012 123.006 119.950 0.074 0.000 2.134 601 F HA 0.097 3.214 4.527 -2.350 0.000 0.299 601 F C 2.628 178.463 175.800 0.059 0.000 1.097 601 F CA 1.130 59.161 58.000 0.052 0.000 1.264 601 F CB -1.075 37.954 39.000 0.049 0.000 1.001 601 F HN 0.563 nan 8.300 nan 0.000 0.479 602 E N 0.142 120.496 120.200 0.256 0.000 2.070 602 E HA -0.204 2.737 4.350 -2.348 0.000 0.197 602 E C 2.188 178.887 176.600 0.165 0.000 1.004 602 E CA 1.924 58.450 56.400 0.209 0.000 0.805 602 E CB -1.129 28.708 29.700 0.229 0.000 0.744 602 E HN 0.244 nan 8.360 nan 0.000 0.451 603 V N 1.455 121.436 119.914 0.111 0.000 2.295 603 V HA -0.251 2.460 4.120 -2.348 0.000 0.246 603 V C 2.248 178.372 176.094 0.050 0.000 1.049 603 V CA 2.316 64.637 62.300 0.035 0.000 1.024 603 V CB -0.587 31.210 31.823 -0.043 0.000 0.648 603 V HN 0.239 nan 8.190 nan 0.000 0.447 604 E N -0.053 120.195 120.200 0.080 0.000 2.077 604 E HA -0.230 2.711 4.350 -2.348 0.000 0.193 604 E C 1.887 178.521 176.600 0.057 0.000 0.989 604 E CA 1.542 57.990 56.400 0.080 0.000 0.800 604 E CB -0.158 29.626 29.700 0.140 0.000 0.746 604 E HN 0.588 nan 8.360 nan 0.000 0.452 605 D N -0.043 120.411 120.400 0.090 0.000 2.269 605 D HA -0.101 3.130 4.640 -2.348 0.000 0.208 605 D C 1.804 178.127 176.300 0.038 0.000 0.963 605 D CA 0.605 54.644 54.000 0.064 0.000 0.864 605 D CB -0.013 40.871 40.800 0.140 0.000 0.936 605 D HN 0.136 nan 8.370 nan 0.000 0.505 606 Q N 0.035 119.897 119.800 0.104 0.000 2.123 606 Q HA 0.028 2.959 4.340 -2.348 0.000 0.199 606 Q C 2.470 178.505 176.000 0.058 0.000 0.966 606 Q CA 0.423 56.283 55.803 0.095 0.000 0.845 606 Q CB 0.156 28.977 28.738 0.137 0.000 0.907 606 Q HN 0.406 nan 8.270 nan 0.000 0.439 607 I N 0.707 121.321 120.570 0.073 0.000 2.252 607 I HA -0.253 2.508 4.170 -2.348 0.000 0.245 607 I C 2.430 178.513 176.117 -0.057 0.000 1.102 607 I CA 1.153 62.538 61.300 0.141 0.000 1.385 607 I CB -0.139 37.929 38.000 0.114 0.000 1.064 607 I HN 0.158 nan 8.210 nan 0.000 0.414 608 E N 1.505 121.618 120.200 -0.145 0.000 2.077 608 E HA -0.211 2.730 4.350 -2.348 0.000 0.193 608 E C 2.168 178.473 176.600 -0.491 0.000 0.989 608 E CA 1.563 57.810 56.400 -0.254 0.000 0.800 608 E CB -0.166 29.405 29.700 -0.216 0.000 0.746 608 E HN 0.391 nan 8.360 nan 0.000 0.452 609 A N 1.104 123.482 122.820 -0.737 0.000 1.903 609 A HA -0.251 2.660 4.320 -2.348 0.000 0.219 609 A C 2.508 179.300 177.584 -1.319 0.000 1.191 609 A CA 2.690 53.929 52.037 -1.331 0.000 0.638 609 A CB -1.371 16.810 19.000 -1.364 0.000 0.823 609 A HN 0.454 nan 8.150 nan 0.000 0.451 610 A N -0.589 121.853 122.820 -0.631 0.000 1.902 610 A HA -0.188 2.723 4.320 -2.348 0.000 0.217 610 A C 2.240 179.627 177.584 -0.327 0.000 1.181 610 A CA 1.658 53.485 52.037 -0.349 0.000 0.623 610 A CB -0.493 18.333 19.000 -0.290 0.000 0.818 610 A HN 0.592 nan 8.150 nan 0.000 0.443 611 R N -0.802 119.502 120.500 -0.328 0.000 2.073 611 R HA -0.139 2.792 4.340 -2.348 0.000 0.234 611 R C 2.462 178.617 176.300 -0.242 0.000 1.134 611 R CA 1.512 57.464 56.100 -0.247 0.000 0.952 611 R CB -0.322 29.856 30.300 -0.203 0.000 0.850 611 R HN 0.555 nan 8.270 nan 0.000 0.433 612 Q N -0.063 119.536 119.800 -0.335 0.000 2.050 612 Q HA -0.130 2.801 4.340 -2.348 0.000 0.202 612 Q C 2.120 178.020 176.000 -0.166 0.000 0.980 612 Q CA 1.360 57.002 55.803 -0.269 0.000 0.840 612 Q CB -0.300 28.225 28.738 -0.355 0.000 0.898 612 Q HN 0.263 nan 8.270 nan 0.000 0.424 613 F N 1.400 121.174 119.950 -0.292 0.000 2.091 613 F HA -0.208 2.884 4.527 -2.393 0.000 0.299 613 F C 2.787 178.365 175.800 -0.370 0.000 1.103 613 F CA 1.411 59.219 58.000 -0.319 0.000 1.228 613 F CB -1.551 37.316 39.000 -0.223 0.000 0.984 613 F HN 0.134 nan 8.300 nan 0.000 0.477 614 S N -0.122 115.523 115.700 -0.090 0.000 2.402 614 S HA -0.201 2.860 4.470 -2.348 0.000 0.229 614 S C 2.125 176.605 174.600 -0.200 0.000 1.021 614 S CA 1.158 59.260 58.200 -0.164 0.000 0.974 614 S CB -0.466 62.653 63.200 -0.135 0.000 0.800 614 S HN 0.327 nan 8.310 nan 0.000 0.484 615 K N 0.592 120.888 120.400 -0.174 0.000 2.439 615 K HA 0.126 3.037 4.320 -2.348 0.000 0.197 615 K C 1.687 178.187 176.600 -0.167 0.000 1.041 615 K CA 0.682 56.881 56.287 -0.146 0.000 0.970 615 K CB -0.301 32.129 32.500 -0.116 0.000 0.773 615 K HN 0.532 nan 8.250 nan 0.000 0.479 616 M N -0.814 118.625 119.600 -0.268 0.000 2.630 616 M HA -0.000 3.071 4.480 -2.348 0.000 0.254 616 M C 1.144 177.206 176.300 -0.397 0.000 1.092 616 M CA 1.100 56.207 55.300 -0.322 0.000 1.087 616 M CB 0.209 32.541 32.600 -0.447 0.000 1.453 616 M HN 0.397 nan 8.290 nan 0.000 0.509 617 G N 0.610 109.174 108.800 -0.394 0.000 2.176 617 G HA2 -0.281 2.270 3.960 -2.348 0.000 0.232 617 G HA3 -0.281 2.270 3.960 -2.348 0.000 0.232 617 G C 0.424 175.285 174.900 -0.064 0.000 0.986 617 G CA 0.247 45.247 45.100 -0.167 0.000 0.643 617 G HN 0.628 nan 8.290 nan 0.000 0.522 618 F N -0.184 119.824 119.950 0.096 0.000 2.683 618 F HA 0.758 5.333 4.527 0.081 0.000 0.306 618 F C 0.217 176.128 175.800 0.185 0.000 1.102 618 F CA -0.963 57.133 58.000 0.159 0.000 1.244 618 F CB 0.316 39.498 39.000 0.304 0.000 1.029 618 F HN 0.070 nan 8.300 nan 0.000 0.545 619 V N 1.266 121.187 119.914 0.012 0.000 2.483 619 V HA 0.227 2.938 4.120 -2.348 0.000 0.295 619 V C -0.620 175.463 176.094 -0.017 0.000 1.035 619 V CA -0.794 61.531 62.300 0.042 0.000 0.896 619 V CB 1.682 33.473 31.823 -0.053 0.000 0.986 619 V HN 0.078 nan 8.190 nan 0.000 0.447 620 D N 3.308 123.693 120.400 -0.025 0.000 2.325 620 D HA 0.114 3.345 4.640 -2.348 0.000 0.251 620 D C 0.932 177.184 176.300 -0.080 0.000 1.196 620 D CA 0.030 53.987 54.000 -0.071 0.000 0.866 620 D CB 1.019 41.752 40.800 -0.112 0.000 1.101 620 D HN 0.440 nan 8.370 nan 0.000 0.476 621 N N 3.227 121.880 118.700 -0.078 0.000 2.120 621 N HA -0.135 3.196 4.740 -2.348 0.000 0.188 621 N C 1.253 176.723 175.510 -0.066 0.000 1.024 621 N CA 0.964 53.964 53.050 -0.083 0.000 0.852 621 N CB 0.052 38.492 38.487 -0.077 0.000 1.003 621 N HN 0.502 nan 8.380 nan 0.000 0.424 622 K N 0.261 120.630 120.400 -0.051 0.000 2.362 622 K HA 0.020 2.931 4.320 -2.348 0.000 0.200 622 K C 0.169 176.774 176.600 0.009 0.000 1.046 622 K CA 0.651 56.925 56.287 -0.021 0.000 0.952 622 K CB 0.204 32.691 32.500 -0.022 0.000 0.753 622 K HN 0.140 nan 8.250 nan 0.000 0.466 623 R N 0.951 121.431 120.500 -0.033 0.000 2.585 623 R HA 0.364 3.295 4.340 -2.348 0.000 0.278 623 R C -0.977 175.329 176.300 0.010 0.000 1.663 623 R CA -0.119 55.973 56.100 -0.012 0.000 1.592 623 R CB 0.721 30.815 30.300 -0.344 0.000 1.200 623 R HN -0.016 nan 8.270 nan 0.000 0.611 624 I N 1.775 122.458 120.570 0.188 0.000 2.411 624 I HA 0.444 3.205 4.170 -2.348 0.000 0.284 624 I C 0.075 176.475 176.117 0.473 0.000 1.012 624 I CA -0.640 60.796 61.300 0.226 0.000 1.119 624 I CB 1.796 39.742 38.000 -0.089 0.000 1.261 624 I HN 0.404 nan 8.210 nan 0.000 0.448 625 A N 7.213 130.417 122.820 0.640 0.000 2.261 625 A HA 0.911 3.822 4.320 -2.348 0.000 0.323 625 A C -0.796 177.150 177.584 0.604 0.000 1.107 625 A CA -0.609 51.750 52.037 0.537 0.000 0.883 625 A CB 1.746 20.890 19.000 0.240 0.000 1.251 625 A HN 0.730 nan 8.150 nan 0.000 0.502 626 I N -0.024 120.810 120.570 0.439 0.000 2.722 626 I HA 0.619 3.380 4.170 -2.348 0.000 0.292 626 I C -1.867 174.499 176.117 0.415 0.000 1.267 626 I CA -0.585 60.912 61.300 0.328 0.000 1.036 626 I CB 1.564 39.474 38.000 -0.150 0.000 1.281 626 I HN 0.951 nan 8.210 nan 0.000 0.423 627 W N 6.926 128.357 121.300 0.218 0.000 3.042 627 W HA 0.890 4.137 4.660 -2.355 0.000 0.342 627 W C -1.403 175.267 176.519 0.251 0.000 1.240 627 W CA -1.042 56.441 57.345 0.230 0.000 1.166 627 W CB 1.025 30.670 29.460 0.308 0.000 1.469 627 W HN 0.845 nan 8.180 nan 0.000 0.579 628 G N 0.213 108.891 108.800 -0.203 0.000 2.547 628 G HA2 0.446 2.998 3.960 -2.348 0.000 0.291 628 G HA3 0.446 2.998 3.960 -2.348 0.000 0.291 628 G C -2.825 172.001 174.900 -0.123 0.000 1.471 628 G CA -0.734 44.131 45.100 -0.391 0.000 0.798 628 G HN 0.659 nan 8.290 nan 0.000 0.504 629 W N 0.957 122.115 121.300 -0.237 0.000 2.844 629 W HA 0.627 3.876 4.660 -2.351 0.000 0.340 629 W C 0.830 177.359 176.519 0.017 0.000 1.093 629 W CA 0.408 57.703 57.345 -0.082 0.000 1.212 629 W CB 1.977 31.398 29.460 -0.064 0.000 1.422 629 W HN 1.453 nan 8.180 nan 0.000 0.515 630 S N 2.449 118.380 115.700 0.386 0.000 4.116 630 S HA -0.431 2.630 4.470 -2.348 0.000 0.623 630 S C 1.166 175.854 174.600 0.147 0.000 1.933 630 S CA 1.857 60.296 58.200 0.399 0.000 4.224 630 S CB -1.927 61.687 63.200 0.690 0.000 0.208 630 S HN 0.780 nan 8.310 nan 0.000 0.527 631 Y N 2.230 122.491 120.300 -0.065 0.000 2.241 631 Y HA -0.009 3.131 4.550 -2.350 0.000 0.286 631 Y C 2.396 178.202 175.900 -0.157 0.000 1.166 631 Y CA 2.606 60.587 58.100 -0.198 0.000 1.203 631 Y CB -0.995 37.175 38.460 -0.483 0.000 0.977 631 Y HN 0.567 nan 8.280 nan 0.000 0.529 632 G N -0.869 107.919 108.800 -0.021 0.000 2.422 632 G HA2 -0.228 2.323 3.960 -2.348 0.000 0.218 632 G HA3 -0.228 2.323 3.960 -2.348 0.000 0.218 632 G C 1.869 176.784 174.900 0.025 0.000 1.146 632 G CA 0.723 45.843 45.100 0.034 0.000 0.769 632 G HN 0.574 nan 8.290 nan 0.000 0.547 633 G N 0.050 108.868 108.800 0.031 0.000 2.433 633 G HA2 -0.284 2.268 3.960 -2.348 0.000 0.216 633 G HA3 -0.284 2.268 3.960 -2.348 0.000 0.216 633 G C 1.558 176.470 174.900 0.020 0.000 1.186 633 G CA 1.102 46.214 45.100 0.020 0.000 0.779 633 G HN 0.452 nan 8.290 nan 0.000 0.543 634 Y N 1.189 121.379 120.300 -0.183 0.000 2.069 634 Y HA -0.281 2.861 4.550 -2.346 0.000 0.278 634 Y C 2.908 178.699 175.900 -0.181 0.000 1.175 634 Y CA 2.296 60.236 58.100 -0.267 0.000 1.134 634 Y CB -0.349 37.796 38.460 -0.525 0.000 0.965 634 Y HN 0.052 nan 8.280 nan 0.000 0.498 635 V N -0.399 119.383 119.914 -0.221 0.000 2.332 635 V HA -0.351 2.361 4.120 -2.348 0.000 0.248 635 V C 2.298 178.278 176.094 -0.189 0.000 1.055 635 V CA 2.390 64.559 62.300 -0.219 0.000 1.038 635 V CB -1.221 30.611 31.823 0.016 0.000 0.651 635 V HN 0.516 nan 8.190 nan 0.000 0.450 636 T N -0.181 114.314 114.554 -0.097 0.000 2.720 636 T HA -0.200 2.741 4.350 -2.348 0.000 0.268 636 T C 2.171 176.820 174.700 -0.084 0.000 1.037 636 T CA 2.025 64.082 62.100 -0.071 0.000 1.144 636 T CB -0.241 68.661 68.868 0.056 0.000 0.864 636 T HN 0.523 nan 8.240 nan 0.000 0.444 637 S N 0.999 116.672 115.700 -0.045 0.000 2.345 637 S HA 0.007 3.068 4.470 -2.348 0.000 0.220 637 S C 2.150 176.678 174.600 -0.119 0.000 1.031 637 S CA 0.939 59.149 58.200 0.016 0.000 0.996 637 S CB -0.276 62.955 63.200 0.053 0.000 0.882 637 S HN 0.347 nan 8.310 nan 0.000 0.445 638 M N 0.985 120.416 119.600 -0.282 0.000 2.267 638 M HA -0.046 3.025 4.480 -2.348 0.000 0.263 638 M C 2.100 178.237 176.300 -0.272 0.000 1.063 638 M CA 0.990 56.103 55.300 -0.310 0.000 1.090 638 M CB -1.240 31.067 32.600 -0.488 0.000 1.392 638 M HN 0.180 nan 8.290 nan 0.000 0.422 639 V N 0.406 120.148 119.914 -0.287 0.000 2.323 639 V HA -0.198 2.514 4.120 -2.348 0.000 0.244 639 V C 2.401 178.290 176.094 -0.342 0.000 1.041 639 V CA 1.208 63.331 62.300 -0.294 0.000 1.025 639 V CB -0.454 31.133 31.823 -0.394 0.000 0.656 639 V HN 0.382 nan 8.190 nan 0.000 0.451 640 L N 0.474 121.429 121.223 -0.447 0.000 2.201 640 L HA -0.014 2.917 4.340 -2.348 0.000 0.212 640 L C 2.236 178.533 176.870 -0.955 0.000 1.105 640 L CA 1.423 55.903 54.840 -0.600 0.000 0.775 640 L CB -0.693 40.983 42.059 -0.640 0.000 0.913 640 L HN 0.457 nan 8.230 nan 0.000 0.440 641 G N -1.287 106.961 108.800 -0.919 0.000 3.141 641 G HA2 -0.073 2.478 3.960 -2.348 0.000 0.218 641 G HA3 -0.073 2.478 3.960 -2.348 0.000 0.218 641 G C 1.503 176.231 174.900 -0.287 0.000 1.170 641 G CA 0.601 45.303 45.100 -0.662 0.000 0.769 641 G HN 0.428 nan 8.290 nan 0.000 0.546 642 S N -0.571 114.980 115.700 -0.248 0.000 2.528 642 S HA 0.311 3.373 4.470 -2.348 0.000 0.219 642 S C 1.819 176.367 174.600 -0.088 0.000 0.985 642 S CA 0.908 59.028 58.200 -0.132 0.000 0.914 642 S CB -0.121 63.019 63.200 -0.100 0.000 0.776 642 S HN 1.338 nan 8.310 nan 0.000 0.526 643 G N 1.524 110.262 108.800 -0.103 0.000 2.246 643 G HA2 -0.308 2.243 3.960 -2.348 0.000 0.273 643 G HA3 -0.308 2.243 3.960 -2.348 0.000 0.273 643 G C 0.750 175.632 174.900 -0.030 0.000 1.055 643 G CA 0.758 45.822 45.100 -0.060 0.000 0.851 643 G HN 1.275 nan 8.290 nan 0.000 0.500 644 S N -1.214 114.478 115.700 -0.014 0.000 2.486 644 S HA 0.393 3.454 4.470 -2.348 0.000 0.220 644 S C 2.300 176.902 174.600 0.004 0.000 1.011 644 S CA 1.342 59.547 58.200 0.009 0.000 0.921 644 S CB 0.152 63.383 63.200 0.051 0.000 0.785 644 S HN 2.321 nan 8.310 nan 0.000 0.517 645 G N 0.505 109.313 108.800 0.012 0.000 2.155 645 G HA2 -0.265 2.286 3.960 -2.348 0.000 0.257 645 G HA3 -0.265 2.286 3.960 -2.348 0.000 0.257 645 G C 0.665 175.555 174.900 -0.018 0.000 0.983 645 G CA 0.484 45.585 45.100 0.002 0.000 0.676 645 G HN 0.699 nan 8.290 nan 0.000 0.528 646 V N -1.044 118.855 119.914 -0.024 0.000 2.825 646 V HA 0.364 3.076 4.120 -2.348 0.000 0.246 646 V C 1.019 176.901 176.094 -0.353 0.000 1.068 646 V CA 1.119 63.288 62.300 -0.220 0.000 1.088 646 V CB -0.202 31.417 31.823 -0.341 0.000 0.733 646 V HN 0.273 nan 8.190 nan 0.000 0.468 647 F N 0.096 120.056 119.950 0.018 0.000 2.450 647 F HA 0.431 3.558 4.527 -2.335 0.000 0.332 647 F C 1.074 176.914 175.800 0.067 0.000 1.093 647 F CA -0.661 57.377 58.000 0.063 0.000 1.003 647 F CB 1.546 40.586 39.000 0.066 0.000 1.151 647 F HN -0.248 nan 8.300 nan 0.000 0.474 648 K N 1.299 121.863 120.400 0.273 0.000 2.284 648 K HA 0.188 3.099 4.320 -2.348 0.000 0.198 648 K C -0.286 176.436 176.600 0.203 0.000 1.048 648 K CA 0.672 57.077 56.287 0.197 0.000 0.987 648 K CB 0.313 32.925 32.500 0.187 0.000 0.800 648 K HN 0.786 nan 8.250 nan 0.000 0.486 649 c N -2.562 116.193 118.600 0.258 0.000 3.306 649 c HA 0.875 4.036 4.570 -2.348 0.000 0.335 649 c C -0.345 173.957 174.090 0.353 0.000 1.382 649 c CA -0.615 55.883 56.329 0.281 0.000 1.254 649 c CB 1.091 43.675 42.510 0.124 0.000 1.555 649 c HN 0.298 nan 8.230 nan 0.000 0.463 650 G N 0.138 109.218 108.800 0.468 0.000 2.673 650 G HA2 0.729 3.280 3.960 -2.348 0.000 0.292 650 G HA3 0.729 3.280 3.960 -2.348 0.000 0.292 650 G C -1.962 173.184 174.900 0.410 0.000 1.450 650 G CA -0.689 44.661 45.100 0.418 0.000 0.837 650 G HN 1.026 nan 8.290 nan 0.000 0.505 651 I N 1.053 121.826 120.570 0.339 0.000 2.439 651 I HA 0.571 3.332 4.170 -2.348 0.000 0.285 651 I C 0.238 176.472 176.117 0.196 0.000 1.021 651 I CA -0.903 60.483 61.300 0.143 0.000 1.091 651 I CB 2.145 40.222 38.000 0.128 0.000 1.242 651 I HN 0.633 nan 8.210 nan 0.000 0.439 652 A N 6.730 129.565 122.820 0.025 0.000 2.288 652 A HA 0.792 3.703 4.320 -2.348 0.000 0.320 652 A C -0.593 176.904 177.584 -0.145 0.000 1.217 652 A CA -0.476 51.575 52.037 0.025 0.000 0.840 652 A CB 0.957 20.036 19.000 0.132 0.000 1.179 652 A HN 0.453 nan 8.150 nan 0.000 0.504 653 V N 1.976 121.748 119.914 -0.236 0.000 2.448 653 V HA 0.590 3.301 4.120 -2.348 0.000 0.295 653 V C 0.926 176.607 176.094 -0.688 0.000 1.025 653 V CA 0.230 62.173 62.300 -0.595 0.000 0.859 653 V CB 0.885 32.074 31.823 -1.056 0.000 0.988 653 V HN 2.090 nan 8.190 nan 0.000 0.431 654 A N 5.092 127.487 122.820 -0.709 0.000 2.596 654 A HA -0.105 2.806 4.320 -2.348 0.000 0.300 654 A C -1.814 175.565 177.584 -0.342 0.000 1.495 654 A CA 0.537 52.062 52.037 -0.853 0.000 0.769 654 A CB -1.673 16.943 19.000 -0.639 0.000 1.047 654 A HN 0.618 nan 8.150 nan 0.000 0.436 655 P HA 0.460 nan 4.420 nan 0.000 0.279 655 P C 0.266 177.522 177.300 -0.074 0.000 1.252 655 P CA -0.272 62.790 63.100 -0.062 0.000 0.811 655 P CB 1.245 32.940 31.700 -0.008 0.000 1.035 656 V N 1.699 121.465 119.914 -0.246 0.000 2.881 656 V HA 0.130 2.842 4.120 -2.348 0.000 0.303 656 V C 1.685 177.577 176.094 -0.337 0.000 1.070 656 V CA 0.989 62.995 62.300 -0.491 0.000 1.074 656 V CB 0.893 32.019 31.823 -1.163 0.000 1.012 656 V HN 0.875 nan 8.190 nan 0.000 0.482 657 S N 3.203 118.719 115.700 -0.306 0.000 2.741 657 S HA 0.281 3.342 4.470 -2.348 0.000 0.245 657 S C 0.384 174.834 174.600 -0.249 0.000 1.083 657 S CA -0.395 57.724 58.200 -0.135 0.000 0.873 657 S CB 0.424 63.622 63.200 -0.003 0.000 0.814 657 S HN 0.820 nan 8.310 nan 0.000 0.476 658 R N -1.160 119.081 120.500 -0.432 0.000 2.604 658 R HA 0.525 3.456 4.340 -2.348 0.000 0.270 658 R C -0.966 175.027 176.300 -0.512 0.000 1.052 658 R CA -0.893 54.884 56.100 -0.539 0.000 0.902 658 R CB 0.024 30.045 30.300 -0.466 0.000 1.233 658 R HN 0.172 nan 8.270 nan 0.000 0.455 659 W N 1.088 122.300 121.300 -0.146 0.000 2.525 659 W HA -0.001 3.249 4.660 -2.350 0.000 0.259 659 W C 1.036 177.700 176.519 0.241 0.000 1.253 659 W CA 0.591 57.945 57.345 0.014 0.000 1.262 659 W CB 0.198 29.592 29.460 -0.110 0.000 1.122 659 W HN 0.761 nan 8.180 nan 0.000 0.607 660 E N -0.776 119.629 120.200 0.341 0.000 2.209 660 E HA -0.229 2.712 4.350 -2.348 0.000 0.196 660 E C 1.504 178.255 176.600 0.252 0.000 0.993 660 E CA 1.290 57.807 56.400 0.194 0.000 0.819 660 E CB -0.466 29.225 29.700 -0.016 0.000 0.745 660 E HN 0.343 nan 8.360 nan 0.000 0.477 661 Y N -1.232 119.161 120.300 0.155 0.000 2.439 661 Y HA -0.005 3.136 4.550 -2.348 0.000 0.292 661 Y C 0.888 176.904 175.900 0.193 0.000 1.130 661 Y CA -0.099 58.066 58.100 0.108 0.000 1.254 661 Y CB -0.621 37.839 38.460 -0.001 0.000 1.000 661 Y HN 0.043 nan 8.280 nan 0.000 0.554 662 Y N 1.937 122.393 120.300 0.261 0.000 2.392 662 Y HA 0.265 3.407 4.550 -2.347 0.000 0.323 662 Y C 0.262 176.379 175.900 0.362 0.000 1.291 662 Y CA -2.298 55.963 58.100 0.269 0.000 1.345 662 Y CB 0.264 38.920 38.460 0.328 0.000 1.320 662 Y HN 0.192 nan 8.280 nan 0.000 0.518 663 D N -0.533 119.605 120.400 -0.437 0.000 2.399 663 D HA 0.081 3.312 4.640 -2.348 0.000 0.241 663 D C 0.927 177.181 176.300 -0.077 0.000 1.133 663 D CA 0.405 54.226 54.000 -0.299 0.000 0.890 663 D CB 0.873 41.322 40.800 -0.585 0.000 1.201 663 D HN 0.465 nan 8.370 nan 0.000 0.432 664 S N 1.623 117.312 115.700 -0.019 0.000 2.368 664 S HA -0.255 2.806 4.470 -2.348 0.000 0.225 664 S C 1.974 176.591 174.600 0.029 0.000 1.030 664 S CA 1.004 59.240 58.200 0.060 0.000 0.999 664 S CB -0.878 62.369 63.200 0.079 0.000 0.844 664 S HN 0.614 nan 8.310 nan 0.000 0.459 665 V N 0.032 119.899 119.914 -0.079 0.000 2.488 665 V HA -0.004 2.707 4.120 -2.348 0.000 0.246 665 V C 2.026 178.008 176.094 -0.187 0.000 1.046 665 V CA 1.477 63.644 62.300 -0.223 0.000 1.053 665 V CB -0.909 30.538 31.823 -0.627 0.000 0.679 665 V HN 0.558 nan 8.190 nan 0.000 0.458 666 Y N 1.825 122.014 120.300 -0.184 0.000 2.114 666 Y HA -0.175 2.965 4.550 -2.349 0.000 0.284 666 Y C 2.640 178.503 175.900 -0.061 0.000 1.143 666 Y CA 2.802 60.869 58.100 -0.054 0.000 1.135 666 Y CB -0.502 38.056 38.460 0.164 0.000 0.980 666 Y HN 0.334 nan 8.280 nan 0.000 0.499 667 T N 0.036 114.747 114.554 0.262 0.000 2.770 667 T HA -0.145 2.796 4.350 -2.348 0.000 0.263 667 T C 1.547 176.234 174.700 -0.021 0.000 1.039 667 T CA 1.667 63.887 62.100 0.200 0.000 1.142 667 T CB -0.261 68.840 68.868 0.389 0.000 0.868 667 T HN 0.415 nan 8.240 nan 0.000 0.435 668 E N 0.874 121.079 120.200 0.008 0.000 2.153 668 E HA -0.104 2.837 4.350 -2.348 0.000 0.194 668 E C 2.363 178.869 176.600 -0.158 0.000 0.988 668 E CA 0.517 56.919 56.400 0.004 0.000 0.811 668 E CB -0.133 29.609 29.700 0.070 0.000 0.746 668 E HN 0.317 nan 8.360 nan 0.000 0.466 669 R N 0.103 120.374 120.500 -0.381 0.000 2.119 669 R HA -0.224 2.707 4.340 -2.348 0.000 0.246 669 R C 1.453 177.275 176.300 -0.796 0.000 1.146 669 R CA 1.815 57.506 56.100 -0.682 0.000 0.962 669 R CB -0.061 29.510 30.300 -1.214 0.000 0.863 669 R HN 0.267 nan 8.270 nan 0.000 0.442 670 Y N -2.199 117.851 120.300 -0.416 0.000 2.522 670 Y HA 0.158 3.300 4.550 -2.346 0.000 0.277 670 Y C 2.005 177.765 175.900 -0.233 0.000 1.104 670 Y CA 0.140 57.996 58.100 -0.406 0.000 1.260 670 Y CB 0.219 38.319 38.460 -0.600 0.000 1.151 670 Y HN -0.045 nan 8.280 nan 0.000 0.539 671 M N -0.670 118.861 119.600 -0.115 0.000 2.567 671 M HA 0.353 3.424 4.480 -2.348 0.000 0.261 671 M C 1.182 177.517 176.300 0.059 0.000 1.180 671 M CA 0.996 56.224 55.300 -0.120 0.000 1.143 671 M CB -0.558 31.809 32.600 -0.389 0.000 1.319 671 M HN 0.333 nan 8.290 nan 0.000 0.490 672 G N 1.593 110.445 108.800 0.087 0.000 2.642 672 G HA2 -0.183 2.368 3.960 -2.348 0.000 0.231 672 G HA3 -0.183 2.368 3.960 -2.348 0.000 0.231 672 G C -0.804 174.245 174.900 0.248 0.000 1.338 672 G CA -0.900 44.283 45.100 0.139 0.000 0.883 672 G HN 0.212 nan 8.290 nan 0.000 0.570 673 L N 2.436 123.758 121.223 0.165 0.000 2.349 673 L HA 0.450 3.381 4.340 -2.348 0.000 0.275 673 L C -1.299 175.578 176.870 0.011 0.000 1.115 673 L CA -1.950 52.941 54.840 0.085 0.000 0.820 673 L CB 0.800 42.878 42.059 0.032 0.000 1.135 673 L HN 0.424 nan 8.230 nan 0.000 0.445 674 P HA 0.113 nan 4.420 nan 0.000 0.237 674 P C -0.646 176.509 177.300 -0.240 0.000 1.788 674 P CA -0.115 62.596 63.100 -0.648 0.000 1.061 674 P CB -0.333 30.595 31.700 -1.287 0.000 1.967 675 T N -1.543 112.960 114.554 -0.086 0.000 2.903 675 T HA 0.478 3.419 4.350 -2.348 0.000 0.299 675 T C -2.467 172.235 174.700 0.003 0.000 1.093 675 T CA -2.405 59.672 62.100 -0.038 0.000 1.002 675 T CB 1.940 70.794 68.868 -0.024 0.000 1.127 675 T HN -0.279 nan 8.240 nan 0.000 0.488 676 P HA -0.102 nan 4.420 nan 0.000 0.218 676 P C 1.217 178.532 177.300 0.025 0.000 1.148 676 P CA 0.957 64.068 63.100 0.019 0.000 0.822 676 P CB 0.108 31.815 31.700 0.012 0.000 0.784 677 E N -1.605 118.606 120.200 0.019 0.000 2.476 677 E HA -0.005 2.936 4.350 -2.348 0.000 0.191 677 E C 0.535 177.152 176.600 0.028 0.000 1.064 677 E CA 0.496 56.907 56.400 0.020 0.000 0.866 677 E CB -0.149 29.557 29.700 0.011 0.000 0.952 677 E HN 0.226 nan 8.360 nan 0.000 0.492 678 D N 0.887 121.313 120.400 0.042 0.000 2.979 678 D HA 0.050 3.281 4.640 -2.348 0.000 0.184 678 D C 0.086 176.443 176.300 0.096 0.000 1.417 678 D CA -0.040 53.996 54.000 0.061 0.000 1.527 678 D CB -0.038 40.799 40.800 0.061 0.000 1.199 678 D HN 0.046 nan 8.370 nan 0.000 0.198 679 N N 0.028 118.817 118.700 0.149 0.000 2.307 679 N HA 0.119 3.451 4.740 -2.348 0.000 0.248 679 N C 0.812 176.529 175.510 0.344 0.000 1.322 679 N CA -0.054 53.135 53.050 0.232 0.000 0.861 679 N CB 0.357 39.001 38.487 0.263 0.000 1.303 679 N HN 0.074 nan 8.380 nan 0.000 0.498 680 L N 0.622 121.963 121.223 0.197 0.000 2.042 680 L HA -0.095 2.836 4.340 -2.348 0.000 0.210 680 L C 1.274 178.258 176.870 0.190 0.000 1.076 680 L CA 1.945 56.875 54.840 0.149 0.000 0.749 680 L CB -0.586 41.491 42.059 0.030 0.000 0.893 680 L HN 0.164 nan 8.230 nan 0.000 0.432 681 D N -1.426 119.064 120.400 0.150 0.000 2.133 681 D HA -0.282 2.949 4.640 -2.348 0.000 0.192 681 D C 2.159 178.555 176.300 0.159 0.000 1.001 681 D CA 1.890 55.968 54.000 0.129 0.000 0.844 681 D CB -0.109 40.758 40.800 0.112 0.000 0.944 681 D HN 0.585 nan 8.370 nan 0.000 0.447 682 H N -1.353 117.788 119.070 0.117 0.000 2.470 682 H HA 0.000 3.147 4.556 -2.349 0.000 0.289 682 H C 1.674 177.062 175.328 0.101 0.000 1.033 682 H CA 1.004 57.099 56.048 0.078 0.000 1.331 682 H CB -0.259 29.517 29.762 0.024 0.000 1.414 682 H HN 0.181 nan 8.280 nan 0.000 0.545 683 Y N 0.697 121.000 120.300 0.004 0.000 2.114 683 Y HA -0.259 2.883 4.550 -2.347 0.000 0.282 683 Y C 2.526 178.385 175.900 -0.068 0.000 1.165 683 Y CA 2.035 60.135 58.100 -0.000 0.000 1.148 683 Y CB -0.022 38.465 38.460 0.045 0.000 0.972 683 Y HN 0.172 nan 8.280 nan 0.000 0.504 684 R N -0.513 120.049 120.500 0.104 0.000 2.153 684 R HA -0.099 2.832 4.340 -2.348 0.000 0.218 684 R C 1.925 178.206 176.300 -0.032 0.000 1.072 684 R CA 1.004 57.120 56.100 0.026 0.000 0.990 684 R CB -0.366 29.955 30.300 0.035 0.000 0.889 684 R HN 0.424 nan 8.270 nan 0.000 0.452 685 N N 0.847 119.497 118.700 -0.083 0.000 2.459 685 N HA -0.076 3.255 4.740 -2.348 0.000 0.181 685 N C -0.241 175.177 175.510 -0.154 0.000 1.046 685 N CA 0.881 53.869 53.050 -0.103 0.000 0.904 685 N CB 0.297 38.749 38.487 -0.058 0.000 0.964 685 N HN 0.110 nan 8.380 nan 0.000 0.444 686 S N 0.168 115.741 115.700 -0.212 0.000 2.078 686 S HA 0.208 3.269 4.470 -2.348 0.000 0.168 686 S C -0.224 174.394 174.600 0.031 0.000 1.542 686 S CA -0.878 57.269 58.200 -0.089 0.000 1.223 686 S CB 0.614 63.735 63.200 -0.132 0.000 1.152 686 S HN 0.144 nan 8.310 nan 0.000 0.452 687 T N -1.946 112.603 114.554 -0.009 0.000 2.893 687 T HA 0.519 3.461 4.350 -2.348 0.000 0.291 687 T C 0.902 175.591 174.700 -0.019 0.000 1.028 687 T CA -0.288 61.797 62.100 -0.024 0.000 0.995 687 T CB 1.477 70.303 68.868 -0.069 0.000 1.051 687 T HN 0.564 nan 8.240 nan 0.000 0.470 688 V N 2.614 122.517 119.914 -0.018 0.000 2.809 688 V HA 0.002 2.713 4.120 -2.348 0.000 0.256 688 V C 2.016 178.074 176.094 -0.061 0.000 1.080 688 V CA 1.358 63.634 62.300 -0.041 0.000 1.102 688 V CB -1.071 30.723 31.823 -0.049 0.000 0.705 688 V HN 0.886 nan 8.190 nan 0.000 0.475 689 M N 2.036 121.592 119.600 -0.074 0.000 2.065 689 M HA -0.131 2.940 4.480 -2.348 0.000 0.259 689 M C 2.522 178.786 176.300 -0.060 0.000 1.069 689 M CA 2.586 57.835 55.300 -0.086 0.000 1.110 689 M CB -0.885 31.680 32.600 -0.059 0.000 1.328 689 M HN 0.694 nan 8.290 nan 0.000 0.405 690 S N -0.267 115.410 115.700 -0.038 0.000 2.440 690 S HA -0.127 2.934 4.470 -2.348 0.000 0.238 690 S C 1.850 176.446 174.600 -0.007 0.000 1.010 690 S CA 0.918 59.105 58.200 -0.023 0.000 0.972 690 S CB -0.628 62.559 63.200 -0.020 0.000 0.774 690 S HN 0.495 nan 8.310 nan 0.000 0.501 691 R N 0.767 121.271 120.500 0.008 0.000 2.310 691 R HA 0.358 3.289 4.340 -2.348 0.000 0.202 691 R C 2.337 178.721 176.300 0.141 0.000 0.933 691 R CA 0.471 56.602 56.100 0.053 0.000 1.054 691 R CB -0.441 29.892 30.300 0.055 0.000 0.985 691 R HN 0.549 nan 8.270 nan 0.000 0.489 692 A N 1.669 124.523 122.820 0.057 0.000 1.903 692 A HA -0.294 2.618 4.320 -2.348 0.000 0.219 692 A C 2.014 179.665 177.584 0.111 0.000 1.191 692 A CA 1.895 53.938 52.037 0.010 0.000 0.638 692 A CB -0.351 18.584 19.000 -0.107 0.000 0.823 692 A HN 0.239 nan 8.150 nan 0.000 0.451 693 E N 0.621 120.860 120.200 0.064 0.000 2.114 693 E HA -0.201 2.741 4.350 -2.348 0.000 0.199 693 E C 1.625 178.272 176.600 0.078 0.000 1.008 693 E CA 1.725 58.160 56.400 0.058 0.000 0.810 693 E CB -0.285 29.433 29.700 0.031 0.000 0.739 693 E HN 0.629 nan 8.360 nan 0.000 0.456 694 N N -0.502 118.239 118.700 0.069 0.000 2.573 694 N HA -0.124 3.207 4.740 -2.348 0.000 0.187 694 N C 0.884 176.362 175.510 -0.053 0.000 1.107 694 N CA 0.529 53.575 53.050 -0.007 0.000 0.918 694 N CB -0.192 38.249 38.487 -0.078 0.000 0.966 694 N HN 0.228 nan 8.380 nan 0.000 0.448 695 F N 1.528 121.425 119.950 -0.089 0.000 2.604 695 F HA 0.068 3.188 4.527 -2.345 0.000 0.298 695 F C 1.974 177.763 175.800 -0.017 0.000 1.131 695 F CA 0.510 58.450 58.000 -0.099 0.000 1.457 695 F CB 0.076 38.961 39.000 -0.192 0.000 1.095 695 F HN -0.073 nan 8.300 nan 0.000 0.574 696 K N -0.015 120.469 120.400 0.140 0.000 2.281 696 K HA -0.218 2.693 4.320 -2.348 0.000 0.203 696 K C 1.618 178.268 176.600 0.083 0.000 1.046 696 K CA 1.233 57.586 56.287 0.109 0.000 0.938 696 K CB -0.257 32.290 32.500 0.078 0.000 0.737 696 K HN 0.435 nan 8.250 nan 0.000 0.458 697 Q N 0.389 120.216 119.800 0.046 0.000 2.451 697 Q HA 0.001 2.933 4.340 -2.348 0.000 0.206 697 Q C 0.472 176.504 176.000 0.054 0.000 0.947 697 Q CA 0.252 56.075 55.803 0.034 0.000 0.937 697 Q CB 0.504 29.243 28.738 0.000 0.000 1.025 697 Q HN 0.161 nan 8.270 nan 0.000 0.511 698 V N -3.300 116.660 119.914 0.076 0.000 3.130 698 V HA 0.461 3.172 4.120 -2.348 0.000 0.310 698 V C -1.232 174.995 176.094 0.221 0.000 1.158 698 V CA -1.257 61.115 62.300 0.119 0.000 1.029 698 V CB 2.320 34.175 31.823 0.053 0.000 1.057 698 V HN -0.043 nan 8.190 nan 0.000 0.436 699 E N 1.513 121.875 120.200 0.270 0.000 2.197 699 E HA 0.486 3.427 4.350 -2.348 0.000 0.281 699 E C -1.925 175.043 176.600 0.613 0.000 0.995 699 E CA -0.420 56.213 56.400 0.389 0.000 0.808 699 E CB 2.177 32.033 29.700 0.260 0.000 1.093 699 E HN 0.724 nan 8.360 nan 0.000 0.394 700 Y N 2.866 123.441 120.300 0.457 0.000 2.386 700 Y HA 0.357 3.497 4.550 -2.350 0.000 0.334 700 Y C -1.846 174.137 175.900 0.138 0.000 1.002 700 Y CA -1.328 56.975 58.100 0.339 0.000 1.068 700 Y CB 1.132 39.818 38.460 0.376 0.000 1.203 700 Y HN 0.443 nan 8.280 nan 0.000 0.443 701 L N 7.675 128.560 121.223 -0.564 0.000 2.313 701 L HA 0.667 3.598 4.340 -2.348 0.000 0.283 701 L C -2.064 174.344 176.870 -0.769 0.000 1.013 701 L CA -0.802 53.572 54.840 -0.776 0.000 0.816 701 L CB 1.347 42.625 42.059 -1.301 0.000 1.236 701 L HN 0.649 nan 8.230 nan 0.000 0.419 702 L N 6.828 127.724 121.223 -0.546 0.000 2.319 702 L HA 0.681 3.612 4.340 -2.348 0.000 0.281 702 L C -1.198 175.559 176.870 -0.188 0.000 1.005 702 L CA -0.020 54.562 54.840 -0.430 0.000 0.828 702 L CB 1.061 42.950 42.059 -0.283 0.000 1.227 702 L HN 0.590 nan 8.230 nan 0.000 0.415 703 I N 4.382 124.849 120.570 -0.172 0.000 2.569 703 I HA 0.527 3.288 4.170 -2.348 0.000 0.296 703 I C -1.035 175.068 176.117 -0.024 0.000 1.028 703 I CA -0.723 60.527 61.300 -0.083 0.000 1.082 703 I CB 2.001 39.911 38.000 -0.149 0.000 1.264 703 I HN 0.675 nan 8.210 nan 0.000 0.429 704 H N 2.025 121.136 119.070 0.070 0.000 3.140 704 H HA 0.443 3.590 4.556 -2.348 0.000 0.336 704 H C -0.488 175.070 175.328 0.384 0.000 1.142 704 H CA -0.559 55.575 56.048 0.142 0.000 1.308 704 H CB 1.725 31.508 29.762 0.034 0.000 1.970 704 H HN 0.776 nan 8.280 nan 0.000 0.521 705 G N 0.792 109.909 108.800 0.528 0.000 2.420 705 G HA2 0.266 2.817 3.960 -2.348 0.000 0.284 705 G HA3 0.266 2.817 3.960 -2.348 0.000 0.284 705 G C 1.152 176.333 174.900 0.469 0.000 1.177 705 G CA 0.118 45.509 45.100 0.485 0.000 0.841 705 G HN 0.722 nan 8.290 nan 0.000 0.527 706 T N -1.283 113.408 114.554 0.229 0.000 3.023 706 T HA 0.128 3.069 4.350 -2.348 0.000 0.266 706 T C 1.673 176.355 174.700 -0.031 0.000 1.093 706 T CA 1.310 63.365 62.100 -0.075 0.000 1.129 706 T CB 0.121 68.900 68.868 -0.149 0.000 0.899 706 T HN 0.712 nan 8.240 nan 0.000 0.491 707 A N 1.138 124.010 122.820 0.087 0.000 2.684 707 A HA 0.312 3.223 4.320 -2.348 0.000 0.288 707 A C 0.386 177.958 177.584 -0.020 0.000 1.337 707 A CA -0.497 51.566 52.037 0.044 0.000 0.946 707 A CB -0.381 18.903 19.000 0.474 0.000 1.093 707 A HN 0.393 nan 8.150 nan 0.000 0.543 708 D N 1.595 122.001 120.400 0.010 0.000 2.348 708 D HA -0.016 3.215 4.640 -2.348 0.000 0.259 708 D C 0.466 176.753 176.300 -0.021 0.000 1.296 708 D CA 0.108 54.197 54.000 0.148 0.000 0.931 708 D CB 0.591 41.619 40.800 0.380 0.000 1.067 708 D HN 0.591 nan 8.370 nan 0.000 0.503 709 D N 2.154 122.577 120.400 0.038 0.000 2.317 709 D HA -0.137 3.094 4.640 -2.348 0.000 0.211 709 D C 1.035 177.315 176.300 -0.033 0.000 0.966 709 D CA 0.286 54.267 54.000 -0.032 0.000 0.876 709 D CB 0.300 41.003 40.800 -0.162 0.000 0.927 709 D HN 0.383 nan 8.370 nan 0.000 0.519 710 N N 0.203 118.969 118.700 0.109 0.000 2.335 710 N HA -0.063 3.268 4.740 -2.348 0.000 0.197 710 N C 0.331 175.801 175.510 -0.067 0.000 1.045 710 N CA 0.674 53.831 53.050 0.179 0.000 0.928 710 N CB 0.685 39.237 38.487 0.109 0.000 1.118 710 N HN 0.013 nan 8.380 nan 0.000 0.471 711 V N 1.378 121.205 119.914 -0.146 0.000 2.333 711 V HA 0.391 3.102 4.120 -2.348 0.000 0.274 711 V C -1.009 175.110 176.094 0.042 0.000 1.028 711 V CA -0.742 61.474 62.300 -0.141 0.000 0.851 711 V CB 0.090 31.818 31.823 -0.158 0.000 1.000 711 V HN 0.300 nan 8.190 nan 0.000 0.456 712 H N 4.086 123.149 119.070 -0.012 0.000 2.690 712 H HA 0.189 3.337 4.556 -2.348 0.000 0.365 712 H C 0.484 175.705 175.328 -0.178 0.000 1.142 712 H CA 0.512 56.492 56.048 -0.113 0.000 1.417 712 H CB 0.854 30.460 29.762 -0.259 0.000 1.446 712 H HN 0.746 nan 8.280 nan 0.000 0.599 713 F N 1.471 121.262 119.950 -0.265 0.000 2.154 713 F HA -0.297 2.821 4.527 -2.348 0.000 0.301 713 F C 2.623 178.144 175.800 -0.465 0.000 1.087 713 F CA 1.767 59.404 58.000 -0.604 0.000 1.274 713 F CB -0.197 38.616 39.000 -0.311 0.000 1.009 713 F HN 0.668 nan 8.300 nan 0.000 0.485 714 Q N 0.150 119.834 119.800 -0.193 0.000 2.142 714 Q HA -0.356 2.575 4.340 -2.348 0.000 0.213 714 Q C 2.113 177.855 176.000 -0.429 0.000 1.004 714 Q CA 2.614 58.232 55.803 -0.308 0.000 0.883 714 Q CB -0.394 28.134 28.738 -0.349 0.000 0.939 714 Q HN 0.595 nan 8.270 nan 0.000 0.413 715 Q N -0.573 119.002 119.800 -0.374 0.000 2.084 715 Q HA -0.114 2.817 4.340 -2.348 0.000 0.202 715 Q C 2.294 178.155 176.000 -0.233 0.000 0.978 715 Q CA 1.639 57.318 55.803 -0.206 0.000 0.844 715 Q CB -0.081 28.625 28.738 -0.053 0.000 0.898 715 Q HN 0.319 nan 8.270 nan 0.000 0.426 716 S N 0.477 115.912 115.700 -0.443 0.000 2.414 716 S HA -0.012 3.050 4.470 -2.348 0.000 0.227 716 S C 2.023 176.339 174.600 -0.473 0.000 1.022 716 S CA 0.688 58.636 58.200 -0.421 0.000 0.958 716 S CB -0.084 62.812 63.200 -0.505 0.000 0.797 716 S HN 0.463 nan 8.310 nan 0.000 0.493 717 A N 1.353 123.792 122.820 -0.635 0.000 1.940 717 A HA -0.163 2.748 4.320 -2.348 0.000 0.219 717 A C 2.104 179.574 177.584 -0.191 0.000 1.176 717 A CA 1.286 53.106 52.037 -0.361 0.000 0.631 717 A CB -0.459 18.412 19.000 -0.215 0.000 0.814 717 A HN 0.383 nan 8.150 nan 0.000 0.446 718 Q N -0.632 119.058 119.800 -0.183 0.000 2.172 718 Q HA 0.017 2.949 4.340 -2.348 0.000 0.200 718 Q C 2.096 178.036 176.000 -0.100 0.000 0.964 718 Q CA 0.936 56.685 55.803 -0.090 0.000 0.855 718 Q CB -0.277 28.465 28.738 0.006 0.000 0.918 718 Q HN 0.793 nan 8.270 nan 0.000 0.444 719 I N 1.040 121.526 120.570 -0.141 0.000 2.202 719 I HA -0.265 2.496 4.170 -2.348 0.000 0.242 719 I C 2.468 178.429 176.117 -0.260 0.000 1.091 719 I CA 1.366 62.547 61.300 -0.200 0.000 1.368 719 I CB -0.387 37.502 38.000 -0.184 0.000 1.058 719 I HN 0.160 nan 8.210 nan 0.000 0.410 720 S N 0.873 116.466 115.700 -0.179 0.000 2.383 720 S HA -0.287 2.774 4.470 -2.348 0.000 0.229 720 S C 1.997 176.583 174.600 -0.025 0.000 1.030 720 S CA 1.527 59.685 58.200 -0.070 0.000 1.002 720 S CB -0.461 62.829 63.200 0.150 0.000 0.829 720 S HN 0.385 nan 8.310 nan 0.000 0.467 721 K N 1.835 122.209 120.400 -0.043 0.000 2.025 721 K HA 0.075 2.986 4.320 -2.348 0.000 0.207 721 K C 2.349 178.920 176.600 -0.048 0.000 1.049 721 K CA 1.082 57.357 56.287 -0.021 0.000 0.933 721 K CB -0.718 31.768 32.500 -0.024 0.000 0.714 721 K HN 0.404 nan 8.250 nan 0.000 0.438 722 A N 1.112 123.874 122.820 -0.098 0.000 1.908 722 A HA -0.153 2.758 4.320 -2.348 0.000 0.218 722 A C 2.107 179.604 177.584 -0.146 0.000 1.181 722 A CA 1.538 53.505 52.037 -0.116 0.000 0.627 722 A CB -0.668 18.243 19.000 -0.148 0.000 0.818 722 A HN 0.338 nan 8.150 nan 0.000 0.445 723 L N -0.814 120.262 121.223 -0.246 0.000 2.072 723 L HA -0.118 2.814 4.340 -2.348 0.000 0.205 723 L C 2.488 179.335 176.870 -0.039 0.000 1.079 723 L CA 0.838 55.512 54.840 -0.277 0.000 0.752 723 L CB -0.515 41.113 42.059 -0.719 0.000 0.906 723 L HN 0.229 nan 8.230 nan 0.000 0.436 724 V N -0.229 119.716 119.914 0.052 0.000 2.407 724 V HA -0.284 2.427 4.120 -2.348 0.000 0.248 724 V C 1.930 178.054 176.094 0.050 0.000 1.055 724 V CA 1.818 64.185 62.300 0.112 0.000 1.049 724 V CB -0.498 31.396 31.823 0.117 0.000 0.662 724 V HN 0.417 nan 8.190 nan 0.000 0.455 725 D N 0.061 120.469 120.400 0.013 0.000 2.269 725 D HA -0.074 3.157 4.640 -2.348 0.000 0.208 725 D C 1.810 178.114 176.300 0.007 0.000 0.963 725 D CA 1.460 55.464 54.000 0.007 0.000 0.864 725 D CB 0.063 40.859 40.800 -0.006 0.000 0.936 725 D HN 0.545 nan 8.370 nan 0.000 0.505 726 V N -3.714 116.201 119.914 0.002 0.000 3.621 726 V HA 0.482 3.193 4.120 -2.348 0.000 0.285 726 V C 1.162 177.275 176.094 0.032 0.000 1.346 726 V CA 0.283 62.590 62.300 0.012 0.000 1.104 726 V CB -0.108 31.716 31.823 0.003 0.000 0.913 726 V HN 0.123 nan 8.190 nan 0.000 0.432 727 G N 0.655 109.482 108.800 0.046 0.000 2.289 727 G HA2 -0.111 2.440 3.960 -2.348 0.000 0.280 727 G HA3 -0.111 2.440 3.960 -2.348 0.000 0.280 727 G C -0.141 174.815 174.900 0.092 0.000 1.089 727 G CA 0.444 45.584 45.100 0.068 0.000 0.939 727 G HN 1.794 nan 8.290 nan 0.000 0.499 728 V N -1.362 118.624 119.914 0.119 0.000 2.513 728 V HA 0.818 3.529 4.120 -2.348 0.000 0.299 728 V C -0.016 176.258 176.094 0.301 0.000 1.035 728 V CA -0.737 61.663 62.300 0.167 0.000 0.889 728 V CB 2.083 33.991 31.823 0.142 0.000 0.988 728 V HN 0.295 nan 8.190 nan 0.000 0.440 729 D N 4.372 124.941 120.400 0.283 0.000 2.283 729 D HA 0.688 3.919 4.640 -2.348 0.000 0.248 729 D C -0.615 175.972 176.300 0.478 0.000 1.072 729 D CA 0.296 54.476 54.000 0.301 0.000 0.929 729 D CB 1.106 41.995 40.800 0.149 0.000 1.182 729 D HN 0.721 nan 8.370 nan 0.000 0.433 730 F N -0.514 119.511 119.950 0.124 0.000 2.744 730 F HA 0.408 3.526 4.527 -2.349 0.000 0.311 730 F C -1.155 174.694 175.800 0.082 0.000 1.144 730 F CA -1.297 56.797 58.000 0.157 0.000 0.938 730 F CB 0.864 39.995 39.000 0.220 0.000 1.292 730 F HN 0.073 nan 8.300 nan 0.000 0.444 731 Q N 1.682 121.517 119.800 0.058 0.000 2.259 731 Q HA 0.796 3.727 4.340 -2.348 0.000 0.249 731 Q C -0.834 175.089 176.000 -0.129 0.000 0.914 731 Q CA -0.210 55.532 55.803 -0.101 0.000 0.904 731 Q CB 1.861 30.560 28.738 -0.064 0.000 1.213 731 Q HN 0.953 nan 8.270 nan 0.000 0.428 732 A N 2.490 125.216 122.820 -0.155 0.000 2.469 732 A HA 0.899 3.810 4.320 -2.348 0.000 0.299 732 A C -1.510 176.018 177.584 -0.094 0.000 1.098 732 A CA -0.653 51.340 52.037 -0.074 0.000 0.737 732 A CB 1.630 20.615 19.000 -0.025 0.000 1.312 732 A HN 0.657 nan 8.150 nan 0.000 0.414 733 M N 1.358 120.904 119.600 -0.090 0.000 2.284 733 M HA 0.584 3.655 4.480 -2.348 0.000 0.281 733 M C -1.934 174.292 176.300 -0.124 0.000 1.083 733 M CA -0.508 54.627 55.300 -0.277 0.000 0.965 733 M CB 1.226 33.566 32.600 -0.434 0.000 1.717 733 M HN 0.957 nan 8.290 nan 0.000 0.479 734 W N 4.248 125.407 121.300 -0.235 0.000 2.578 734 W HA 0.794 4.045 4.660 -2.348 0.000 0.353 734 W C -2.082 174.175 176.519 -0.436 0.000 1.088 734 W CA -0.817 56.462 57.345 -0.110 0.000 1.235 734 W CB 0.495 29.951 29.460 -0.007 0.000 1.362 734 W HN 0.608 nan 8.180 nan 0.000 0.592 735 Y N 2.151 122.598 120.300 0.244 0.000 2.376 735 Y HA 0.302 3.442 4.550 -2.349 0.000 0.326 735 Y C 0.419 176.448 175.900 0.215 0.000 0.970 735 Y CA -1.163 56.999 58.100 0.104 0.000 1.248 735 Y CB 1.420 39.913 38.460 0.056 0.000 1.117 735 Y HN 0.425 nan 8.280 nan 0.000 0.476 736 T N 4.378 119.115 114.554 0.305 0.000 2.866 736 T HA -0.029 2.912 4.350 -2.348 0.000 0.293 736 T C 0.219 175.002 174.700 0.138 0.000 1.005 736 T CA 0.636 62.858 62.100 0.204 0.000 1.162 736 T CB -0.080 68.849 68.868 0.101 0.000 0.968 736 T HN 0.716 nan 8.240 nan 0.000 0.530 737 D N 0.480 120.925 120.400 0.075 0.000 3.046 737 D HA -0.124 3.107 4.640 -2.348 0.000 0.210 737 D C 0.325 176.748 176.300 0.204 0.000 1.124 737 D CA 1.209 55.179 54.000 -0.050 0.000 0.986 737 D CB -0.368 40.236 40.800 -0.326 0.000 1.118 737 D HN 0.587 nan 8.370 nan 0.000 0.416 738 E N 0.894 121.239 120.200 0.242 0.000 2.318 738 E HA 0.361 3.303 4.350 -2.348 0.000 0.265 738 E C 0.764 177.547 176.600 0.305 0.000 1.069 738 E CA -0.263 56.301 56.400 0.272 0.000 0.893 738 E CB 1.195 31.043 29.700 0.247 0.000 1.076 738 E HN 0.329 nan 8.360 nan 0.000 0.414 739 D N -0.832 119.761 120.400 0.321 0.000 2.589 739 D HA 0.032 3.263 4.640 -2.348 0.000 0.268 739 D C 1.032 177.560 176.300 0.379 0.000 1.182 739 D CA -0.365 53.847 54.000 0.354 0.000 1.087 739 D CB -0.228 40.812 40.800 0.401 0.000 1.186 739 D HN 0.409 nan 8.370 nan 0.000 0.620 740 H N -1.285 117.965 119.070 0.300 0.000 2.457 740 H HA 0.061 3.208 4.556 -2.348 0.000 0.297 740 H C 1.902 177.497 175.328 0.445 0.000 1.092 740 H CA 2.302 58.547 56.048 0.328 0.000 1.309 740 H CB -0.398 29.544 29.762 0.299 0.000 1.382 740 H HN 0.502 nan 8.280 nan 0.000 0.535 741 G N -0.211 108.795 108.800 0.344 0.000 2.623 741 G HA2 -0.014 2.537 3.960 -2.348 0.000 0.214 741 G HA3 -0.014 2.537 3.960 -2.348 0.000 0.214 741 G C 0.620 175.723 174.900 0.339 0.000 1.138 741 G CA 0.318 45.549 45.100 0.218 0.000 0.794 741 G HN 0.530 nan 8.290 nan 0.000 0.535 742 I N 0.100 120.885 120.570 0.358 0.000 5.071 742 I HA -0.328 2.433 4.170 -2.348 0.000 0.126 742 I C 1.608 177.868 176.117 0.239 0.000 1.290 742 I CA 0.091 61.547 61.300 0.260 0.000 2.644 742 I CB -1.239 36.866 38.000 0.174 0.000 2.208 742 I HN 0.251 nan 8.210 nan 0.000 0.322 743 A N 0.881 123.819 122.820 0.197 0.000 2.220 743 A HA 0.225 3.136 4.320 -2.348 0.000 0.211 743 A C 1.220 178.870 177.584 0.111 0.000 1.176 743 A CA 0.238 52.361 52.037 0.144 0.000 0.834 743 A CB 0.214 19.280 19.000 0.109 0.000 0.868 743 A HN 0.461 nan 8.150 nan 0.000 0.488 744 S N 0.394 116.170 115.700 0.127 0.000 2.561 744 S HA 0.028 3.089 4.470 -2.348 0.000 0.294 744 S C 1.594 176.254 174.600 0.101 0.000 1.294 744 S CA 0.510 58.775 58.200 0.108 0.000 1.055 744 S CB 0.841 64.108 63.200 0.112 0.000 0.819 744 S HN 0.595 nan 8.310 nan 0.000 0.503 745 S N 2.671 118.412 115.700 0.068 0.000 2.368 745 S HA -0.202 2.859 4.470 -2.348 0.000 0.226 745 S C 2.326 176.991 174.600 0.108 0.000 1.044 745 S CA 2.334 60.570 58.200 0.061 0.000 1.062 745 S CB -0.772 62.447 63.200 0.031 0.000 0.931 745 S HN 0.982 nan 8.310 nan 0.000 0.440 746 T N -0.255 114.352 114.554 0.088 0.000 2.777 746 T HA 0.158 3.099 4.350 -2.348 0.000 0.266 746 T C 1.965 176.730 174.700 0.108 0.000 1.040 746 T CA 1.401 63.555 62.100 0.089 0.000 1.141 746 T CB -0.955 67.952 68.868 0.066 0.000 0.868 746 T HN 0.453 nan 8.240 nan 0.000 0.444 747 A N 1.614 124.487 122.820 0.087 0.000 1.883 747 A HA -0.153 2.758 4.320 -2.348 0.000 0.217 747 A C 2.208 179.770 177.584 -0.038 0.000 1.186 747 A CA 2.261 54.299 52.037 0.000 0.000 0.624 747 A CB -1.423 17.554 19.000 -0.038 0.000 0.822 747 A HN 0.793 nan 8.150 nan 0.000 0.444 748 H N -0.337 118.729 119.070 -0.008 0.000 2.289 748 H HA -0.186 2.961 4.556 -2.348 0.000 0.296 748 H C 2.156 177.551 175.328 0.111 0.000 1.091 748 H CA 2.469 58.562 56.048 0.075 0.000 1.274 748 H CB -0.258 29.547 29.762 0.071 0.000 1.364 748 H HN 0.591 nan 8.280 nan 0.000 0.490 749 Q N -1.036 118.795 119.800 0.051 0.000 2.084 749 Q HA -0.203 2.728 4.340 -2.348 0.000 0.202 749 Q C 2.313 178.310 176.000 -0.006 0.000 0.978 749 Q CA 1.457 57.249 55.803 -0.020 0.000 0.844 749 Q CB -0.228 28.535 28.738 0.041 0.000 0.898 749 Q HN 0.653 nan 8.270 nan 0.000 0.426 750 H N 0.529 119.583 119.070 -0.027 0.000 2.321 750 H HA -0.119 3.028 4.556 -2.347 0.000 0.300 750 H C 2.122 177.451 175.328 0.002 0.000 1.087 750 H CA 1.587 57.648 56.048 0.021 0.000 1.319 750 H CB -0.052 29.775 29.762 0.108 0.000 1.379 750 H HN 0.294 nan 8.280 nan 0.000 0.501 751 I N 0.129 120.659 120.570 -0.065 0.000 2.226 751 I HA -0.323 2.438 4.170 -2.348 0.000 0.245 751 I C 1.865 177.743 176.117 -0.399 0.000 1.100 751 I CA 1.286 62.461 61.300 -0.209 0.000 1.374 751 I CB -0.296 37.419 38.000 -0.473 0.000 1.057 751 I HN 0.175 nan 8.210 nan 0.000 0.413 752 Y N 0.937 121.015 120.300 -0.370 0.000 2.242 752 Y HA -0.236 2.904 4.550 -2.350 0.000 0.291 752 Y C 2.701 178.387 175.900 -0.356 0.000 1.137 752 Y CA 1.963 59.734 58.100 -0.549 0.000 1.181 752 Y CB -0.763 37.395 38.460 -0.504 0.000 0.989 752 Y HN 0.166 nan 8.280 nan 0.000 0.527 753 T N -1.422 113.048 114.554 -0.140 0.000 2.652 753 T HA -0.284 2.657 4.350 -2.348 0.000 0.267 753 T C 1.540 176.115 174.700 -0.208 0.000 1.039 753 T CA 2.005 63.990 62.100 -0.190 0.000 1.153 753 T CB -0.581 68.182 68.868 -0.175 0.000 0.863 753 T HN 0.413 nan 8.240 nan 0.000 0.428 754 H N 0.987 119.910 119.070 -0.246 0.000 2.289 754 H HA 0.013 3.161 4.556 -2.347 0.000 0.296 754 H C 2.223 177.517 175.328 -0.057 0.000 1.091 754 H CA 1.812 57.789 56.048 -0.119 0.000 1.274 754 H CB -0.349 29.311 29.762 -0.170 0.000 1.364 754 H HN 0.265 nan 8.280 nan 0.000 0.490 755 M N -0.858 118.660 119.600 -0.137 0.000 2.213 755 M HA -0.175 2.897 4.480 -2.348 0.000 0.263 755 M C 2.431 178.823 176.300 0.155 0.000 1.062 755 M CA 1.491 56.706 55.300 -0.142 0.000 1.105 755 M CB -0.067 32.181 32.600 -0.587 0.000 1.385 755 M HN 0.204 nan 8.290 nan 0.000 0.417 756 S N -0.637 115.168 115.700 0.175 0.000 2.368 756 S HA -0.145 2.916 4.470 -2.348 0.000 0.224 756 S C 1.547 176.243 174.600 0.159 0.000 1.029 756 S CA 1.161 59.569 58.200 0.345 0.000 0.988 756 S CB -0.490 62.909 63.200 0.331 0.000 0.838 756 S HN 0.554 nan 8.310 nan 0.000 0.462 757 H N -0.525 118.610 119.070 0.108 0.000 2.319 757 H HA -0.091 3.056 4.556 -2.348 0.000 0.299 757 H C 1.932 177.272 175.328 0.020 0.000 1.092 757 H CA 1.776 57.845 56.048 0.035 0.000 1.302 757 H CB -0.232 29.504 29.762 -0.042 0.000 1.373 757 H HN 0.380 nan 8.280 nan 0.000 0.497 758 F N 0.939 120.879 119.950 -0.016 0.000 2.126 758 F HA -0.214 2.904 4.527 -2.348 0.000 0.299 758 F C 2.016 177.775 175.800 -0.069 0.000 1.096 758 F CA 1.049 59.006 58.000 -0.072 0.000 1.255 758 F CB -0.135 38.788 39.000 -0.129 0.000 0.997 758 F HN 0.077 nan 8.300 nan 0.000 0.479 759 I N 0.379 120.920 120.570 -0.049 0.000 2.233 759 I HA -0.216 2.545 4.170 -2.348 0.000 0.243 759 I C 2.273 178.225 176.117 -0.274 0.000 1.093 759 I CA 1.260 62.376 61.300 -0.307 0.000 1.380 759 I CB -1.157 36.747 38.000 -0.160 0.000 1.067 759 I HN 0.170 nan 8.210 nan 0.000 0.413 760 K N 0.662 121.039 120.400 -0.038 0.000 2.063 760 K HA -0.265 2.646 4.320 -2.348 0.000 0.208 760 K C 2.059 178.673 176.600 0.024 0.000 1.048 760 K CA 2.045 58.364 56.287 0.053 0.000 0.928 760 K CB -0.126 32.445 32.500 0.119 0.000 0.713 760 K HN 0.438 nan 8.250 nan 0.000 0.442 761 Q N 0.550 120.325 119.800 -0.042 0.000 2.083 761 Q HA -0.139 2.792 4.340 -2.348 0.000 0.198 761 Q C 2.240 178.170 176.000 -0.117 0.000 0.969 761 Q CA 1.728 57.494 55.803 -0.061 0.000 0.838 761 Q CB -0.945 27.753 28.738 -0.065 0.000 0.900 761 Q HN 0.356 nan 8.270 nan 0.000 0.436 762 c N -0.259 118.163 118.600 -0.298 0.000 2.422 762 c HA 0.011 3.172 4.570 -2.348 0.000 0.279 762 c C 1.659 175.751 174.090 0.003 0.000 1.305 762 c CA 0.292 56.442 56.329 -0.298 0.000 1.757 762 c CB -1.267 40.871 42.510 -0.620 0.000 1.962 762 c HN 0.600 nan 8.230 nan 0.000 0.499 763 F N 1.652 121.555 119.950 -0.078 0.000 2.765 763 F HA 0.251 3.377 4.527 -2.335 0.000 0.302 763 F C 1.728 177.513 175.800 -0.024 0.000 1.111 763 F CA 0.433 58.412 58.000 -0.034 0.000 1.359 763 F CB -1.051 37.938 39.000 -0.019 0.000 1.097 763 F HN 0.292 nan 8.300 nan 0.000 0.577 764 S N 0.543 116.329 115.700 0.144 0.000 3.635 764 S HA -0.214 2.847 4.470 -2.348 0.000 0.328 764 S C 0.155 174.801 174.600 0.076 0.000 1.135 764 S CA 0.094 58.341 58.200 0.078 0.000 0.942 764 S CB -2.200 61.032 63.200 0.053 0.000 0.930 764 S HN 0.222 nan 8.310 nan 0.000 0.512 765 L N 1.835 123.119 121.223 0.102 0.000 2.326 765 L HA 0.486 3.417 4.340 -2.348 0.000 0.278 765 L C -1.262 175.653 176.870 0.075 0.000 1.092 765 L CA -1.695 53.198 54.840 0.087 0.000 0.810 765 L CB 0.412 42.538 42.059 0.112 0.000 1.153 765 L HN 0.048 nan 8.230 nan 0.000 0.439 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.135 63.100 0.059 0.000 0.800 766 P CB 0.000 31.726 31.700 0.043 0.000 0.726