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 2zuu_1_C DATA FIRST_RESID 3 DATA SEQUENCE STGRFTLPSE ENFAEKTKEL AELWGADAIR NSXXXXXXXX VLALGKKIYN DATA SEQUENCE AYFPTRAHNE WITLHMDETP QVYLLTDRIL AESDTVDIPL MESFFAEQLK DATA SEQUENCE PNRDADPHKY WEVVDRTTGE VVDSANWTLD ADEDTVHVSG VAAWHEYTVS DATA SEQUENCE FLAYIIWDPV EMYNHLTNDW GDKEHEIPFD IYHPATRKFV FDTFEQWLKD DATA SEQUENCE SPQTDVVRFT TFFYQFTLLF DEKRREKVVD WFGCACTVSP RALDDFEAKY DATA SEQUENCE GYRLRPEDFV DGGAYNSAWR VPRKAQRDWI DFLSGFVREN VKQLADMSHA DATA SEQUENCE AGKEAMMFLG DQWIGTEPYK DGFDELGLDA VVGSIGDGTT TRMIADIPGV DATA SEQUENCE KYTEGRFLPY FFPDTFYEGN DPSIEGLDNW RKARRAILRS PISRMGYGGY DATA SEQUENCE LSLAAKFPKF VDTVTHIANE FRDIHDRTGG VAAEGELNVA ILNSWGKMRS DATA SEQUENCE WMAFTVAHAL PNKQTYSYYG ILESLSGMRV NVRFISFDDV LAHGIDSDID DATA SEQUENCE VIINGGPVDT AFTGGDVWTN PKLVETVRAW VRGGGAFVGV GEPSSAPRFQ DATA SEQUENCE TGRFFQLADV IGVDEERYQT LSVDKYFPPV VPDHFITADV PVDPAAREAW DATA SEQUENCE EQAGYRIPLS GCGGGQSIKP LGGIDFGEPV LNTYPVNENV TLLRADGGQV DATA SEQUENCE QLATNDYGKG RGVYISGLPY SAANARLLER VLFYASHNED KYAAWSSSNP DATA SEQUENCE ECEVAHFPEQ GLYCVINNTD QPQKTTVTLA DGTTEDFDLP DSGIAWREAL DATA SEQUENCE EH 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.591 174.600 -0.015 0.000 1.055 3 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 3 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 4 T N 1.184 115.732 114.554 -0.010 0.000 2.787 4 T HA 0.837 5.557 4.350 0.617 0.000 0.297 4 T C 0.215 174.920 174.700 0.009 0.000 1.221 4 T CA 1.170 63.266 62.100 -0.008 0.000 1.006 4 T CB 0.794 69.652 68.868 -0.016 0.000 1.328 4 T HN 2.410 nan 8.240 nan 0.000 0.509 5 G N 1.558 110.371 108.800 0.022 0.000 2.548 5 G HA2 -0.013 4.317 3.960 0.617 0.000 0.208 5 G HA3 -0.013 4.317 3.960 0.617 0.000 0.208 5 G C -0.387 174.568 174.900 0.092 0.000 1.308 5 G CA 0.178 45.306 45.100 0.048 0.000 0.924 5 G HN 1.192 nan 8.290 nan 0.000 0.540 6 R N -1.973 118.567 120.500 0.066 0.000 3.516 6 R HA -0.198 4.512 4.340 0.617 0.000 0.271 6 R C -0.215 176.113 176.300 0.048 0.000 1.098 6 R CA 1.451 57.593 56.100 0.070 0.000 0.732 6 R CB -1.742 28.647 30.300 0.149 0.000 1.152 6 R HN 1.383 nan 8.270 nan 0.000 0.455 7 F N -0.823 119.062 119.950 -0.109 0.000 2.605 7 F HA 0.277 5.177 4.527 0.620 0.000 0.320 7 F C -0.671 175.073 175.800 -0.094 0.000 1.159 7 F CA -0.484 57.428 58.000 -0.147 0.000 0.999 7 F CB 1.886 40.817 39.000 -0.115 0.000 1.258 7 F HN -0.159 nan 8.300 nan 0.000 0.464 8 T N 6.948 121.246 114.554 -0.426 0.000 2.758 8 T HA 0.398 5.118 4.350 0.617 0.000 0.285 8 T C -0.825 173.763 174.700 -0.185 0.000 0.981 8 T CA -0.497 61.431 62.100 -0.287 0.000 0.965 8 T CB 1.284 69.904 68.868 -0.414 0.000 0.927 8 T HN 0.497 nan 8.240 nan 0.000 0.448 9 L N 6.353 127.647 121.223 0.117 0.000 2.289 9 L HA 0.496 5.206 4.340 0.617 0.000 0.285 9 L C -2.243 174.715 176.870 0.147 0.000 1.049 9 L CA -2.342 52.694 54.840 0.326 0.000 0.804 9 L CB 1.945 44.232 42.059 0.380 0.000 1.195 9 L HN 0.358 nan 8.230 nan 0.000 0.428 10 P HA 0.214 nan 4.420 nan 0.000 0.286 10 P C -1.158 176.215 177.300 0.122 0.000 1.261 10 P CA -0.346 62.804 63.100 0.084 0.000 0.821 10 P CB 1.686 33.388 31.700 0.003 0.000 1.013 11 S N 0.989 116.734 115.700 0.076 0.000 2.739 11 S HA 0.814 5.654 4.470 0.617 0.000 0.306 11 S C -0.614 174.024 174.600 0.063 0.000 1.115 11 S CA -0.589 57.666 58.200 0.092 0.000 0.985 11 S CB 1.659 64.912 63.200 0.088 0.000 1.133 11 S HN 0.626 nan 8.310 nan 0.000 0.541 12 E N -0.722 119.527 120.200 0.082 0.000 2.401 12 E HA 0.298 5.018 4.350 0.617 0.000 0.280 12 E C -1.501 175.163 176.600 0.107 0.000 1.039 12 E CA -1.049 55.393 56.400 0.070 0.000 0.814 12 E CB 0.552 30.270 29.700 0.030 0.000 1.275 12 E HN 0.565 nan 8.360 nan 0.000 0.448 13 E N 1.989 122.246 120.200 0.094 0.000 2.653 13 E HA -0.101 4.619 4.350 0.617 0.000 0.264 13 E C -0.333 176.347 176.600 0.134 0.000 0.949 13 E CA 0.725 57.183 56.400 0.098 0.000 0.953 13 E CB -0.058 29.687 29.700 0.075 0.000 0.925 13 E HN 0.552 nan 8.360 nan 0.000 0.475 14 N N 2.288 121.067 118.700 0.132 0.000 2.642 14 N HA -0.253 4.857 4.740 0.617 0.000 0.269 14 N C -0.458 175.223 175.510 0.285 0.000 1.073 14 N CA 0.713 53.852 53.050 0.149 0.000 0.748 14 N CB -0.957 37.598 38.487 0.114 0.000 0.894 14 N HN 0.446 nan 8.380 nan 0.000 0.548 15 F N -0.930 119.028 119.950 0.012 0.000 2.769 15 F HA 0.381 5.278 4.527 0.617 0.000 0.341 15 F C 1.371 177.168 175.800 -0.006 0.000 1.279 15 F CA 0.107 58.110 58.000 0.005 0.000 1.037 15 F CB -0.055 38.957 39.000 0.020 0.000 1.333 15 F HN 0.250 nan 8.300 nan 0.000 0.505 16 A N -0.263 122.556 122.820 -0.000 0.000 1.940 16 A HA -0.153 4.537 4.320 0.617 0.000 0.219 16 A C 2.221 179.737 177.584 -0.114 0.000 1.176 16 A CA 2.096 54.114 52.037 -0.031 0.000 0.631 16 A CB -0.212 18.776 19.000 -0.019 0.000 0.814 16 A HN 0.364 nan 8.150 nan 0.000 0.446 17 E N -0.221 119.858 120.200 -0.202 0.000 2.016 17 E HA -0.113 4.607 4.350 0.617 0.000 0.190 17 E C 2.017 178.442 176.600 -0.291 0.000 0.985 17 E CA 0.823 57.091 56.400 -0.220 0.000 0.802 17 E CB -0.324 29.251 29.700 -0.209 0.000 0.762 17 E HN 0.360 nan 8.360 nan 0.000 0.448 18 K N 0.531 120.620 120.400 -0.518 0.000 2.057 18 K HA -0.070 4.620 4.320 0.617 0.000 0.207 18 K C 2.232 178.680 176.600 -0.255 0.000 1.049 18 K CA 1.163 57.144 56.287 -0.510 0.000 0.931 18 K CB -0.743 31.155 32.500 -1.003 0.000 0.714 18 K HN 0.120 nan 8.250 nan 0.000 0.440 19 T N 1.431 115.906 114.554 -0.131 0.000 2.665 19 T HA -0.184 4.536 4.350 0.617 0.000 0.268 19 T C 1.897 176.562 174.700 -0.057 0.000 1.035 19 T CA 1.676 63.795 62.100 0.030 0.000 1.151 19 T CB -0.079 68.867 68.868 0.131 0.000 0.862 19 T HN 0.317 nan 8.240 nan 0.000 0.438 20 K N 0.857 121.205 120.400 -0.086 0.000 2.097 20 K HA -0.153 4.537 4.320 0.617 0.000 0.206 20 K C 2.368 178.891 176.600 -0.127 0.000 1.049 20 K CA 1.455 57.688 56.287 -0.089 0.000 0.933 20 K CB -0.109 32.341 32.500 -0.083 0.000 0.717 20 K HN 0.416 nan 8.250 nan 0.000 0.442 21 E N 0.557 120.656 120.200 -0.168 0.000 2.047 21 E HA -0.157 4.562 4.350 0.617 0.000 0.191 21 E C 2.138 178.573 176.600 -0.276 0.000 0.987 21 E CA 0.940 57.223 56.400 -0.196 0.000 0.799 21 E CB 0.008 29.587 29.700 -0.201 0.000 0.752 21 E HN 0.327 nan 8.360 nan 0.000 0.449 22 L N 0.263 121.269 121.223 -0.362 0.000 2.156 22 L HA -0.084 4.626 4.340 0.617 0.000 0.208 22 L C 2.591 179.139 176.870 -0.536 0.000 1.095 22 L CA 0.784 55.218 54.840 -0.677 0.000 0.770 22 L CB -0.340 41.212 42.059 -0.846 0.000 0.914 22 L HN 0.158 nan 8.230 nan 0.000 0.439 23 A N -0.046 122.630 122.820 -0.241 0.000 1.930 23 A HA -0.241 4.449 4.320 0.617 0.000 0.217 23 A C 2.264 179.777 177.584 -0.117 0.000 1.175 23 A CA 1.800 53.776 52.037 -0.102 0.000 0.627 23 A CB -0.359 18.622 19.000 -0.031 0.000 0.815 23 A HN 0.468 nan 8.150 nan 0.000 0.443 24 E N -0.820 119.294 120.200 -0.142 0.000 2.046 24 E HA -0.140 4.580 4.350 0.617 0.000 0.190 24 E C 1.832 178.356 176.600 -0.127 0.000 0.982 24 E CA 0.897 57.228 56.400 -0.115 0.000 0.800 24 E CB -0.169 29.467 29.700 -0.108 0.000 0.756 24 E HN 0.332 nan 8.360 nan 0.000 0.449 25 L N 0.139 121.243 121.223 -0.199 0.000 2.083 25 L HA -0.143 4.567 4.340 0.617 0.000 0.209 25 L C 1.605 178.460 176.870 -0.025 0.000 1.083 25 L CA 1.464 56.204 54.840 -0.167 0.000 0.752 25 L CB -0.625 41.250 42.059 -0.308 0.000 0.899 25 L HN 0.422 nan 8.230 nan 0.000 0.433 26 W N -0.626 120.501 121.300 -0.288 0.000 3.077 26 W HA 0.412 5.444 4.660 0.620 0.000 0.266 26 W C 1.554 177.727 176.519 -0.576 0.000 1.300 26 W CA 0.369 57.395 57.345 -0.531 0.000 1.586 26 W CB -1.029 27.932 29.460 -0.832 0.000 1.103 26 W HN 0.335 nan 8.180 nan 0.000 0.652 27 G N 1.102 109.813 108.800 -0.148 0.000 2.246 27 G HA2 -0.082 4.248 3.960 0.617 0.000 0.273 27 G HA3 -0.082 4.248 3.960 0.617 0.000 0.273 27 G C 0.506 175.351 174.900 -0.092 0.000 1.055 27 G CA -0.010 45.023 45.100 -0.112 0.000 0.851 27 G HN 0.445 nan 8.290 nan 0.000 0.500 28 A N 0.179 122.949 122.820 -0.083 0.000 2.520 28 A HA 0.510 5.200 4.320 0.617 0.000 0.245 28 A C 1.292 178.938 177.584 0.103 0.000 1.072 28 A CA 0.871 52.994 52.037 0.143 0.000 0.761 28 A CB 0.328 19.490 19.000 0.270 0.000 1.004 28 A HN 0.819 nan 8.150 nan 0.000 0.499 29 D N 0.654 121.125 120.400 0.118 0.000 2.441 29 D HA 0.397 5.407 4.640 0.617 0.000 0.210 29 D C 0.270 176.594 176.300 0.040 0.000 1.102 29 D CA 0.747 54.783 54.000 0.059 0.000 0.840 29 D CB 0.165 40.990 40.800 0.042 0.000 0.990 29 D HN 0.609 nan 8.370 nan 0.000 0.505 30 A N 0.264 123.094 122.820 0.016 0.000 2.454 30 A HA 0.723 5.413 4.320 0.617 0.000 0.302 30 A C -1.100 176.405 177.584 -0.132 0.000 1.079 30 A CA -0.789 51.186 52.037 -0.104 0.000 0.731 30 A CB 1.485 20.300 19.000 -0.309 0.000 1.299 30 A HN 0.138 nan 8.150 nan 0.000 0.413 31 I N 1.017 121.501 120.570 -0.143 0.000 2.498 31 I HA 0.497 5.037 4.170 0.617 0.000 0.290 31 I C 0.007 176.054 176.117 -0.116 0.000 1.032 31 I CA -0.569 60.684 61.300 -0.078 0.000 1.073 31 I CB 2.121 40.132 38.000 0.018 0.000 1.251 31 I HN 0.817 nan 8.210 nan 0.000 0.426 32 R N 5.239 125.685 120.500 -0.090 0.000 2.460 32 R HA 0.365 5.075 4.340 0.617 0.000 0.303 32 R C -0.758 175.574 176.300 0.054 0.000 0.968 32 R CA -0.494 55.604 56.100 -0.003 0.000 0.889 32 R CB 1.403 31.689 30.300 -0.023 0.000 1.123 32 R HN 0.750 nan 8.270 nan 0.000 0.455 33 N N 2.154 120.911 118.700 0.096 0.000 2.456 33 N HA 0.149 5.259 4.740 0.617 0.000 0.288 33 N C -0.773 174.795 175.510 0.098 0.000 1.059 33 N CA -0.397 52.710 53.050 0.095 0.000 0.946 33 N CB 1.453 40.009 38.487 0.114 0.000 1.150 33 N HN 0.474 nan 8.380 nan 0.000 0.479 44 L N 1.470 122.706 121.223 0.021 0.000 2.610 44 L HA 0.357 5.067 4.340 0.617 0.000 0.232 44 L C 2.007 178.885 176.870 0.012 0.000 1.149 44 L CA 1.598 56.449 54.840 0.019 0.000 0.872 44 L CB 0.039 42.108 42.059 0.016 0.000 0.992 44 L HN 0.708 nan 8.230 nan 0.000 0.447 45 A N -0.791 122.034 122.820 0.007 0.000 2.167 45 A HA -0.002 4.688 4.320 0.617 0.000 0.214 45 A C 1.945 179.529 177.584 0.000 0.000 1.151 45 A CA 0.622 52.660 52.037 0.001 0.000 0.735 45 A CB -0.425 18.573 19.000 -0.003 0.000 0.802 45 A HN 0.465 nan 8.150 nan 0.000 0.467 46 L N -1.085 120.140 121.223 0.003 0.000 2.376 46 L HA 0.082 4.792 4.340 0.617 0.000 0.219 46 L C 1.787 178.660 176.870 0.005 0.000 1.133 46 L CA 0.660 55.500 54.840 0.000 0.000 0.816 46 L CB -0.508 41.552 42.059 0.002 0.000 0.933 46 L HN 0.523 nan 8.230 nan 0.000 0.449 47 G N 0.044 108.850 108.800 0.010 0.000 2.160 47 G HA2 -0.245 4.085 3.960 0.617 0.000 0.251 47 G HA3 -0.245 4.085 3.960 0.617 0.000 0.251 47 G C 0.279 175.191 174.900 0.021 0.000 1.008 47 G CA 0.005 45.114 45.100 0.014 0.000 0.724 47 G HN 0.198 nan 8.290 nan 0.000 0.514 48 K N -0.080 120.335 120.400 0.026 0.000 2.120 48 K HA 0.333 5.023 4.320 0.617 0.000 0.245 48 K C 0.714 177.345 176.600 0.051 0.000 1.024 48 K CA -0.659 55.648 56.287 0.034 0.000 0.906 48 K CB 0.641 33.160 32.500 0.031 0.000 1.051 48 K HN 0.296 nan 8.250 nan 0.000 0.491 49 K N 1.668 122.109 120.400 0.068 0.000 2.416 49 K HA 0.078 4.768 4.320 0.617 0.000 0.283 49 K C -0.327 176.367 176.600 0.158 0.000 1.037 49 K CA -0.165 56.196 56.287 0.124 0.000 0.995 49 K CB 0.311 32.911 32.500 0.166 0.000 0.938 49 K HN 0.316 nan 8.250 nan 0.000 0.475 50 I N 5.836 126.520 120.570 0.190 0.000 2.321 50 I HA 0.152 4.692 4.170 0.617 0.000 0.291 50 I C -0.469 175.865 176.117 0.362 0.000 0.998 50 I CA -0.688 60.734 61.300 0.203 0.000 1.227 50 I CB 0.432 38.502 38.000 0.116 0.000 1.368 50 I HN 0.458 nan 8.210 nan 0.000 0.466 51 Y N 4.692 125.029 120.300 0.063 0.000 2.323 51 Y HA 0.424 5.343 4.550 0.615 0.000 0.331 51 Y C 0.615 176.552 175.900 0.062 0.000 1.092 51 Y CA -1.070 57.065 58.100 0.057 0.000 1.150 51 Y CB 0.985 39.471 38.460 0.043 0.000 1.200 51 Y HN 0.460 nan 8.280 nan 0.000 0.472 52 N N 1.121 119.944 118.700 0.205 0.000 2.258 52 N HA 0.574 5.684 4.740 0.617 0.000 0.299 52 N C -0.984 174.536 175.510 0.015 0.000 1.047 52 N CA -0.552 52.606 53.050 0.181 0.000 0.814 52 N CB 2.422 41.113 38.487 0.340 0.000 1.413 52 N HN 0.724 nan 8.380 nan 0.000 0.478 53 A N 2.030 124.796 122.820 -0.090 0.000 2.407 53 A HA 0.326 5.016 4.320 0.617 0.000 0.248 53 A C -1.062 176.102 177.584 -0.701 0.000 1.082 53 A CA 0.229 52.010 52.037 -0.425 0.000 0.785 53 A CB 0.149 18.890 19.000 -0.431 0.000 1.020 53 A HN 0.663 nan 8.150 nan 0.000 0.489 54 Y N 0.476 120.109 120.300 -1.111 0.000 2.462 54 Y HA 0.589 5.508 4.550 0.615 0.000 0.346 54 Y C -1.327 173.945 175.900 -1.046 0.000 0.976 54 Y CA -1.030 56.397 58.100 -1.122 0.000 1.044 54 Y CB 1.839 39.647 38.460 -1.086 0.000 1.230 54 Y HN 0.535 nan 8.280 nan 0.000 0.455 55 F N 6.955 126.518 119.950 -0.645 0.000 2.449 55 F HA 0.400 5.295 4.527 0.613 0.000 0.344 55 F C -1.974 173.638 175.800 -0.314 0.000 1.180 55 F CA -2.399 55.380 58.000 -0.367 0.000 1.209 55 F CB 0.854 39.673 39.000 -0.302 0.000 1.440 55 F HN 0.401 nan 8.300 nan 0.000 0.526 56 P HA -0.171 nan 4.420 nan 0.000 0.217 56 P C 1.361 178.747 177.300 0.143 0.000 1.148 56 P CA 1.755 64.944 63.100 0.148 0.000 0.834 56 P CB 0.074 31.856 31.700 0.136 0.000 0.783 57 T N -4.352 110.166 114.554 -0.059 0.000 3.176 57 T HA 0.330 5.050 4.350 0.617 0.000 0.263 57 T C 0.478 174.566 174.700 -1.020 0.000 1.021 57 T CA -0.571 61.284 62.100 -0.409 0.000 0.905 57 T CB -0.208 68.547 68.868 -0.187 0.000 1.057 57 T HN 0.225 nan 8.240 nan 0.000 0.558 58 R N -1.032 119.121 120.500 -0.578 0.000 2.929 58 R HA 0.752 5.462 4.340 0.617 0.000 0.259 58 R C -0.307 176.005 176.300 0.020 0.000 1.141 58 R CA -0.694 55.177 56.100 -0.381 0.000 0.991 58 R CB 0.026 30.198 30.300 -0.213 0.000 1.287 58 R HN 0.384 nan 8.270 nan 0.000 0.450 59 A N -0.052 122.781 122.820 0.022 0.000 2.925 59 A HA -0.140 4.550 4.320 0.617 0.000 0.265 59 A C -0.561 176.897 177.584 -0.211 0.000 1.419 59 A CA 1.243 53.228 52.037 -0.087 0.000 0.807 59 A CB -2.417 16.471 19.000 -0.187 0.000 1.043 59 A HN 0.713 nan 8.150 nan 0.000 0.600 60 H N -1.167 118.171 119.070 0.446 0.000 2.946 60 H HA 0.148 5.074 4.556 0.616 0.000 0.217 60 H C 0.798 176.327 175.328 0.335 0.000 1.393 60 H CA -0.200 56.108 56.048 0.434 0.000 1.306 60 H CB -0.164 29.947 29.762 0.581 0.000 2.062 60 H HN 0.411 nan 8.280 nan 0.000 0.520 61 N N 0.983 119.863 118.700 0.300 0.000 2.289 61 N HA -0.148 4.962 4.740 0.617 0.000 0.184 61 N C 2.063 177.635 175.510 0.104 0.000 1.016 61 N CA 0.946 54.105 53.050 0.182 0.000 0.872 61 N CB 0.309 38.853 38.487 0.096 0.000 0.973 61 N HN 0.629 nan 8.380 nan 0.000 0.433 62 E N 0.047 120.331 120.200 0.140 0.000 2.204 62 E HA -0.193 4.527 4.350 0.617 0.000 0.194 62 E C 1.767 178.387 176.600 0.033 0.000 0.989 62 E CA 0.593 57.046 56.400 0.088 0.000 0.824 62 E CB -0.723 29.062 29.700 0.142 0.000 0.756 62 E HN 0.607 nan 8.360 nan 0.000 0.477 63 W N 1.223 122.384 121.300 -0.230 0.000 2.463 63 W HA -0.083 4.946 4.660 0.616 0.000 0.316 63 W C 1.957 178.306 176.519 -0.284 0.000 1.170 63 W CA 0.922 57.940 57.345 -0.544 0.000 1.355 63 W CB -0.348 28.199 29.460 -1.522 0.000 1.159 63 W HN 0.100 nan 8.180 nan 0.000 0.487 64 I N 2.448 122.796 120.570 -0.370 0.000 2.439 64 I HA -0.227 4.313 4.170 0.617 0.000 0.251 64 I C 2.560 178.524 176.117 -0.255 0.000 1.139 64 I CA 2.448 63.551 61.300 -0.329 0.000 1.438 64 I CB -0.705 37.379 38.000 0.139 0.000 1.085 64 I HN 0.070 nan 8.210 nan 0.000 0.427 65 T N -1.393 113.048 114.554 -0.187 0.000 2.897 65 T HA -0.153 4.567 4.350 0.617 0.000 0.271 65 T C 1.713 176.242 174.700 -0.285 0.000 1.084 65 T CA 1.380 63.369 62.100 -0.185 0.000 1.123 65 T CB -0.742 68.050 68.868 -0.127 0.000 0.865 65 T HN 0.406 nan 8.240 nan 0.000 0.496 66 L N 0.087 121.060 121.223 -0.417 0.000 2.592 66 L HA 0.231 4.941 4.340 0.617 0.000 0.227 66 L C 0.890 177.156 176.870 -1.007 0.000 1.127 66 L CA 0.390 54.848 54.840 -0.636 0.000 0.884 66 L CB -0.146 41.508 42.059 -0.674 0.000 1.065 66 L HN 0.432 nan 8.230 nan 0.000 0.457 67 H N -0.905 117.835 119.070 -0.550 0.000 2.947 67 H HA 0.196 5.122 4.556 0.617 0.000 0.222 67 H C 0.913 176.026 175.328 -0.359 0.000 1.414 67 H CA -0.290 55.465 56.048 -0.489 0.000 1.224 67 H CB 0.788 30.139 29.762 -0.684 0.000 2.100 67 H HN 0.089 nan 8.280 nan 0.000 0.524 68 M N 0.948 120.386 119.600 -0.269 0.000 2.358 68 M HA -0.102 4.748 4.480 0.617 0.000 0.264 68 M C 1.435 177.475 176.300 -0.432 0.000 1.064 68 M CA 1.154 56.274 55.300 -0.299 0.000 1.093 68 M CB -0.607 31.804 32.600 -0.315 0.000 1.401 68 M HN 0.402 nan 8.290 nan 0.000 0.440 69 D N -0.276 119.913 120.400 -0.351 0.000 2.378 69 D HA -0.123 4.887 4.640 0.617 0.000 0.227 69 D C 0.707 176.921 176.300 -0.143 0.000 1.012 69 D CA 0.559 54.402 54.000 -0.262 0.000 0.905 69 D CB -0.488 40.267 40.800 -0.074 0.000 0.895 69 D HN 0.447 nan 8.370 nan 0.000 0.532 70 E N 0.427 120.534 120.200 -0.154 0.000 2.501 70 E HA 0.040 4.760 4.350 0.617 0.000 0.200 70 E C 0.340 177.089 176.600 0.248 0.000 1.016 70 E CA -0.104 56.243 56.400 -0.088 0.000 0.921 70 E CB 0.443 30.125 29.700 -0.031 0.000 1.034 70 E HN 0.351 nan 8.360 nan 0.000 0.468 71 T N 0.644 115.308 114.554 0.184 0.000 2.856 71 T HA 0.154 4.874 4.350 0.617 0.000 0.306 71 T C -2.239 172.665 174.700 0.341 0.000 1.062 71 T CA -1.555 60.704 62.100 0.265 0.000 1.083 71 T CB 0.714 69.684 68.868 0.171 0.000 0.984 71 T HN -0.173 nan 8.240 nan 0.000 0.542 72 P HA 0.205 nan 4.420 nan 0.000 0.272 72 P C -0.716 176.704 177.300 0.200 0.000 1.223 72 P CA -0.302 62.964 63.100 0.276 0.000 0.784 72 P CB 0.512 32.359 31.700 0.244 0.000 0.923 73 Q N -0.198 119.664 119.800 0.104 0.000 2.445 73 Q HA 0.761 5.471 4.340 0.617 0.000 0.281 73 Q C -1.245 174.648 176.000 -0.180 0.000 1.101 73 Q CA -1.149 54.614 55.803 -0.067 0.000 0.833 73 Q CB 2.708 31.339 28.738 -0.179 0.000 1.416 73 Q HN 0.241 nan 8.270 nan 0.000 0.451 74 V N 0.722 120.454 119.914 -0.303 0.000 2.891 74 V HA 0.386 4.876 4.120 0.617 0.000 0.304 74 V C -1.958 173.856 176.094 -0.466 0.000 1.171 74 V CA -0.550 61.560 62.300 -0.316 0.000 0.943 74 V CB 1.622 33.336 31.823 -0.181 0.000 1.037 74 V HN 0.757 nan 8.190 nan 0.000 0.427 75 Y N 6.062 126.120 120.300 -0.402 0.000 2.402 75 Y HA 0.493 5.412 4.550 0.615 0.000 0.333 75 Y C 0.448 176.110 175.900 -0.397 0.000 1.076 75 Y CA 0.154 57.992 58.100 -0.437 0.000 1.299 75 Y CB 1.006 39.258 38.460 -0.346 0.000 1.197 75 Y HN 0.474 nan 8.280 nan 0.000 0.517 76 L N 4.912 125.793 121.223 -0.569 0.000 2.334 76 L HA 0.492 5.202 4.340 0.617 0.000 0.273 76 L C -1.065 175.586 176.870 -0.365 0.000 1.013 76 L CA -1.216 53.263 54.840 -0.601 0.000 0.816 76 L CB 1.786 42.970 42.059 -1.459 0.000 1.278 76 L HN 0.441 nan 8.230 nan 0.000 0.431 77 L N 1.845 123.140 121.223 0.120 0.000 2.333 77 L HA 0.463 5.173 4.340 0.617 0.000 0.280 77 L C 0.475 177.564 176.870 0.365 0.000 1.004 77 L CA 0.007 54.934 54.840 0.146 0.000 0.820 77 L CB 1.788 43.852 42.059 0.007 0.000 1.247 77 L HN 0.754 nan 8.230 nan 0.000 0.416 78 T N 0.521 115.262 114.554 0.312 0.000 2.701 78 T HA 0.218 4.938 4.350 0.617 0.000 0.303 78 T C 0.216 175.000 174.700 0.141 0.000 1.030 78 T CA -0.665 61.615 62.100 0.301 0.000 1.010 78 T CB 0.268 69.257 68.868 0.202 0.000 1.007 78 T HN 0.559 nan 8.240 nan 0.000 0.532 79 D N 0.481 120.924 120.400 0.073 0.000 2.362 79 D HA 0.150 5.160 4.640 0.617 0.000 0.238 79 D C 0.429 176.757 176.300 0.046 0.000 1.212 79 D CA 0.046 54.065 54.000 0.032 0.000 0.902 79 D CB 0.338 41.142 40.800 0.007 0.000 1.180 79 D HN 0.455 nan 8.370 nan 0.000 0.445 80 R N 0.881 121.402 120.500 0.035 0.000 2.370 80 R HA 0.218 4.928 4.340 0.617 0.000 0.309 80 R C -0.251 176.085 176.300 0.059 0.000 1.059 80 R CA -0.250 55.875 56.100 0.041 0.000 0.981 80 R CB 0.472 30.785 30.300 0.022 0.000 0.972 80 R HN 0.249 nan 8.270 nan 0.000 0.437 81 I N 4.680 125.304 120.570 0.091 0.000 2.354 81 I HA 0.151 4.691 4.170 0.617 0.000 0.292 81 I C -0.207 175.999 176.117 0.149 0.000 0.989 81 I CA -1.167 60.193 61.300 0.101 0.000 1.188 81 I CB 1.194 39.246 38.000 0.086 0.000 1.342 81 I HN 0.437 nan 8.210 nan 0.000 0.457 82 L N 6.709 128.007 121.223 0.124 0.000 2.313 82 L HA 0.550 5.260 4.340 0.617 0.000 0.282 82 L C 0.413 177.347 176.870 0.108 0.000 1.092 82 L CA 0.078 55.008 54.840 0.149 0.000 0.831 82 L CB 0.709 42.863 42.059 0.159 0.000 1.159 82 L HN 0.719 nan 8.230 nan 0.000 0.442 83 A N 4.587 127.489 122.820 0.137 0.000 2.331 83 A HA 0.437 5.127 4.320 0.617 0.000 0.283 83 A C 0.530 177.926 177.584 -0.312 0.000 1.142 83 A CA -0.334 51.686 52.037 -0.027 0.000 0.812 83 A CB 0.183 19.213 19.000 0.049 0.000 1.074 83 A HN 0.882 nan 8.150 nan 0.000 0.497 84 E N 0.833 120.770 120.200 -0.438 0.000 2.583 84 E HA 0.144 4.864 4.350 0.617 0.000 0.213 84 E C 0.161 176.356 176.600 -0.675 0.000 0.989 84 E CA 0.570 56.446 56.400 -0.872 0.000 0.991 84 E CB 0.372 29.774 29.700 -0.496 0.000 1.040 84 E HN 0.789 nan 8.360 nan 0.000 0.481 85 S N 0.213 115.657 115.700 -0.426 0.000 3.003 85 S HA 0.064 4.904 4.470 0.617 0.000 0.313 85 S C -0.317 174.155 174.600 -0.213 0.000 1.230 85 S CA -0.484 57.553 58.200 -0.273 0.000 0.977 85 S CB 0.587 63.688 63.200 -0.165 0.000 1.340 85 S HN -0.004 nan 8.310 nan 0.000 0.608 86 D N 1.206 121.520 120.400 -0.144 0.000 2.319 86 D HA 0.199 5.209 4.640 0.617 0.000 0.230 86 D C 0.701 176.924 176.300 -0.129 0.000 1.094 86 D CA 0.547 54.471 54.000 -0.126 0.000 0.856 86 D CB -0.571 40.180 40.800 -0.082 0.000 0.915 86 D HN 0.751 nan 8.370 nan 0.000 0.517 87 T N -3.582 110.892 114.554 -0.134 0.000 2.906 87 T HA 0.674 5.394 4.350 0.617 0.000 0.295 87 T C -0.729 173.887 174.700 -0.141 0.000 1.075 87 T CA -1.011 61.019 62.100 -0.117 0.000 1.005 87 T CB 2.299 71.130 68.868 -0.061 0.000 1.136 87 T HN 0.005 nan 8.240 nan 0.000 0.498 88 V N 0.685 120.524 119.914 -0.125 0.000 3.000 88 V HA 0.479 4.969 4.120 0.617 0.000 0.300 88 V C -2.055 174.017 176.094 -0.037 0.000 1.251 88 V CA -0.758 61.481 62.300 -0.101 0.000 0.972 88 V CB 2.332 34.050 31.823 -0.176 0.000 1.065 88 V HN 1.097 nan 8.190 nan 0.000 0.431 89 D N 5.575 125.975 120.400 0.000 0.000 2.217 89 D HA 0.579 5.589 4.640 0.617 0.000 0.243 89 D C -0.502 175.778 176.300 -0.034 0.000 1.054 89 D CA 0.179 54.176 54.000 -0.004 0.000 0.838 89 D CB 2.194 43.024 40.800 0.050 0.000 1.162 89 D HN 0.497 nan 8.370 nan 0.000 0.472 90 I N 3.776 124.301 120.570 -0.075 0.000 2.382 90 I HA 0.218 4.758 4.170 0.617 0.000 0.285 90 I C -2.311 173.756 176.117 -0.083 0.000 1.007 90 I CA -2.093 59.174 61.300 -0.055 0.000 1.142 90 I CB 2.080 40.048 38.000 -0.053 0.000 1.289 90 I HN -0.043 nan 8.210 nan 0.000 0.453 91 P HA 0.173 nan 4.420 nan 0.000 0.276 91 P C 0.492 177.760 177.300 -0.053 0.000 1.230 91 P CA -0.189 62.881 63.100 -0.049 0.000 0.776 91 P CB 1.313 33.010 31.700 -0.005 0.000 0.888 92 L N 1.735 122.874 121.223 -0.141 0.000 2.162 92 L HA 0.052 4.762 4.340 0.617 0.000 0.205 92 L C 1.914 178.832 176.870 0.079 0.000 1.086 92 L CA 1.286 55.950 54.840 -0.293 0.000 0.778 92 L CB -0.399 41.160 42.059 -0.834 0.000 0.928 92 L HN 0.325 nan 8.230 nan 0.000 0.446 93 M N -1.199 118.469 119.600 0.113 0.000 2.313 93 M HA 0.088 4.938 4.480 0.617 0.000 0.273 93 M C 1.594 178.044 176.300 0.250 0.000 1.049 93 M CA 0.399 55.867 55.300 0.280 0.000 1.004 93 M CB 0.276 32.984 32.600 0.180 0.000 1.461 93 M HN 0.175 nan 8.290 nan 0.000 0.514 94 E N 0.647 120.935 120.200 0.145 0.000 2.209 94 E HA -0.135 4.584 4.350 0.617 0.000 0.196 94 E C 1.575 178.198 176.600 0.038 0.000 0.993 94 E CA 1.706 58.156 56.400 0.083 0.000 0.819 94 E CB 0.079 29.806 29.700 0.046 0.000 0.745 94 E HN 0.456 nan 8.360 nan 0.000 0.477 95 S N -0.540 115.131 115.700 -0.048 0.000 2.540 95 S HA 0.136 4.976 4.470 0.617 0.000 0.218 95 S C 0.178 174.528 174.600 -0.417 0.000 0.977 95 S CA -0.547 57.496 58.200 -0.261 0.000 0.918 95 S CB 0.059 63.029 63.200 -0.384 0.000 0.806 95 S HN -0.049 nan 8.310 nan 0.000 0.496 96 F N 1.145 121.182 119.950 0.145 0.000 2.523 96 F HA 0.577 5.472 4.527 0.614 0.000 0.329 96 F C -0.084 175.880 175.800 0.273 0.000 1.061 96 F CA -1.901 56.211 58.000 0.186 0.000 0.967 96 F CB 0.659 39.767 39.000 0.180 0.000 1.218 96 F HN 0.042 nan 8.300 nan 0.000 0.480 97 F N 2.081 122.223 119.950 0.322 0.000 2.471 97 F HA 0.405 5.301 4.527 0.615 0.000 0.365 97 F C 0.901 176.843 175.800 0.237 0.000 1.095 97 F CA -1.399 56.748 58.000 0.245 0.000 1.174 97 F CB 0.580 39.731 39.000 0.251 0.000 1.105 97 F HN 0.551 nan 8.300 nan 0.000 0.535 98 A N 4.955 127.881 122.820 0.178 0.000 2.119 98 A HA -0.011 4.679 4.320 0.617 0.000 0.216 98 A C 1.846 179.332 177.584 -0.164 0.000 1.152 98 A CA 0.698 52.757 52.037 0.037 0.000 0.708 98 A CB -0.405 18.653 19.000 0.096 0.000 0.805 98 A HN 0.709 nan 8.150 nan 0.000 0.460 99 E N -0.448 119.408 120.200 -0.574 0.000 2.347 99 E HA -0.161 4.558 4.350 0.617 0.000 0.196 99 E C 1.817 178.294 176.600 -0.206 0.000 1.008 99 E CA 1.011 57.121 56.400 -0.484 0.000 0.852 99 E CB -0.043 29.260 29.700 -0.661 0.000 0.783 99 E HN 0.885 nan 8.360 nan 0.000 0.505 100 Q N -0.183 119.449 119.800 -0.280 0.000 2.394 100 Q HA 0.126 4.836 4.340 0.617 0.000 0.218 100 Q C -0.016 176.020 176.000 0.060 0.000 0.907 100 Q CA 0.219 56.034 55.803 0.020 0.000 0.919 100 Q CB 0.663 29.428 28.738 0.045 0.000 1.051 100 Q HN 0.084 nan 8.270 nan 0.000 0.538 101 L N 1.129 122.380 121.223 0.047 0.000 2.431 101 L HA 0.550 5.260 4.340 0.617 0.000 0.266 101 L C -1.062 175.861 176.870 0.089 0.000 0.978 101 L CA -0.707 54.169 54.840 0.060 0.000 0.822 101 L CB 2.346 44.415 42.059 0.017 0.000 1.310 101 L HN -0.176 nan 8.230 nan 0.000 0.409 102 K N 3.479 123.950 120.400 0.119 0.000 2.507 102 K HA 0.552 5.242 4.320 0.617 0.000 0.251 102 K C -2.763 173.951 176.600 0.190 0.000 0.943 102 K CA -1.674 54.708 56.287 0.158 0.000 0.794 102 K CB 2.602 35.212 32.500 0.183 0.000 1.188 102 K HN 0.113 nan 8.250 nan 0.000 0.428 103 P HA -0.015 nan 4.420 nan 0.000 0.268 103 P C -1.105 176.312 177.300 0.196 0.000 1.205 103 P CA -0.293 62.940 63.100 0.222 0.000 0.771 103 P CB 0.446 32.172 31.700 0.044 0.000 0.858 104 N N 2.634 121.401 118.700 0.111 0.000 2.415 104 N HA 0.071 5.181 4.740 0.617 0.000 0.246 104 N C 0.538 176.177 175.510 0.215 0.000 1.078 104 N CA 0.060 53.064 53.050 -0.077 0.000 0.942 104 N CB -0.012 38.159 38.487 -0.528 0.000 1.140 104 N HN 0.220 nan 8.380 nan 0.000 0.501 105 R N 1.841 122.458 120.500 0.196 0.000 2.334 105 R HA 0.110 4.820 4.340 0.617 0.000 0.216 105 R C 0.135 176.477 176.300 0.071 0.000 0.905 105 R CA 0.109 56.282 56.100 0.122 0.000 1.064 105 R CB 0.595 30.966 30.300 0.118 0.000 1.046 105 R HN 0.527 nan 8.270 nan 0.000 0.508 106 D N 1.151 121.615 120.400 0.107 0.000 2.197 106 D HA 0.009 5.019 4.640 0.617 0.000 0.212 106 D C 0.546 176.873 176.300 0.044 0.000 0.963 106 D CA 0.583 54.637 54.000 0.089 0.000 0.864 106 D CB 0.042 40.937 40.800 0.158 0.000 1.009 106 D HN 0.093 nan 8.370 nan 0.000 0.479 107 A N 1.512 124.330 122.820 -0.004 0.000 2.409 107 A HA 0.083 4.773 4.320 0.617 0.000 0.267 107 A C -0.066 177.548 177.584 0.050 0.000 1.127 107 A CA -0.343 51.669 52.037 -0.043 0.000 0.795 107 A CB 0.294 19.076 19.000 -0.363 0.000 1.061 107 A HN -0.087 nan 8.150 nan 0.000 0.502 108 D N 3.685 124.192 120.400 0.177 0.000 2.554 108 D HA 0.032 5.042 4.640 0.617 0.000 0.251 108 D C -1.449 174.842 176.300 -0.014 0.000 1.213 108 D CA -1.041 53.010 54.000 0.085 0.000 0.900 108 D CB 0.656 41.523 40.800 0.112 0.000 1.135 108 D HN 0.188 nan 8.370 nan 0.000 0.522 109 P HA -0.162 nan 4.420 nan 0.000 0.216 109 P C 0.644 177.771 177.300 -0.289 0.000 1.150 109 P CA 1.408 63.942 63.100 -0.943 0.000 0.843 109 P CB 0.056 31.042 31.700 -1.191 0.000 0.787 110 H N -1.587 117.385 119.070 -0.163 0.000 2.495 110 H HA -0.009 4.917 4.556 0.617 0.000 0.287 110 H C 2.023 177.340 175.328 -0.018 0.000 1.033 110 H CA 1.161 57.128 56.048 -0.135 0.000 1.307 110 H CB -0.056 29.495 29.762 -0.353 0.000 1.401 110 H HN 0.111 nan 8.280 nan 0.000 0.555 111 K N -0.272 120.136 120.400 0.012 0.000 2.137 111 K HA -0.068 4.622 4.320 0.617 0.000 0.202 111 K C 0.637 177.120 176.600 -0.196 0.000 1.052 111 K CA 0.975 57.158 56.287 -0.174 0.000 0.961 111 K CB 0.270 32.512 32.500 -0.429 0.000 0.741 111 K HN 0.248 nan 8.250 nan 0.000 0.452 112 Y N -1.408 119.017 120.300 0.208 0.000 2.462 112 Y HA 0.178 5.098 4.550 0.616 0.000 0.253 112 Y C 0.071 176.361 175.900 0.650 0.000 1.095 112 Y CA -0.543 57.776 58.100 0.364 0.000 1.283 112 Y CB 0.456 39.104 38.460 0.314 0.000 1.138 112 Y HN 0.010 nan 8.280 nan 0.000 0.522 113 W N 0.979 122.513 121.300 0.390 0.000 2.576 113 W HA 0.597 5.628 4.660 0.619 0.000 0.360 113 W C -0.350 176.290 176.519 0.201 0.000 1.109 113 W CA -1.822 55.706 57.345 0.305 0.000 1.237 113 W CB 0.548 30.151 29.460 0.239 0.000 1.369 113 W HN -0.275 nan 8.180 nan 0.000 0.609 114 E N 0.371 120.731 120.200 0.266 0.000 2.272 114 E HA 0.492 5.212 4.350 0.617 0.000 0.269 114 E C -1.507 175.055 176.600 -0.063 0.000 0.877 114 E CA -0.766 55.708 56.400 0.123 0.000 0.755 114 E CB 2.865 32.593 29.700 0.046 0.000 1.192 114 E HN 0.036 nan 8.360 nan 0.000 0.422 115 V N 3.410 123.252 119.914 -0.120 0.000 2.398 115 V HA 0.384 4.874 4.120 0.617 0.000 0.286 115 V C -0.470 175.632 176.094 0.014 0.000 1.026 115 V CA -0.650 61.534 62.300 -0.194 0.000 0.868 115 V CB 1.620 33.161 31.823 -0.470 0.000 0.982 115 V HN 0.394 nan 8.190 nan 0.000 0.443 116 V N 3.439 123.378 119.914 0.042 0.000 2.540 116 V HA 0.363 4.853 4.120 0.617 0.000 0.302 116 V C -0.311 175.825 176.094 0.070 0.000 1.035 116 V CA -0.694 61.639 62.300 0.055 0.000 0.873 116 V CB 2.096 33.916 31.823 -0.006 0.000 0.992 116 V HN 0.886 nan 8.190 nan 0.000 0.428 117 D N 4.484 124.911 120.400 0.044 0.000 2.383 117 D HA 0.115 5.125 4.640 0.617 0.000 0.245 117 D C 1.299 177.488 176.300 -0.184 0.000 1.263 117 D CA -0.197 53.670 54.000 -0.223 0.000 0.936 117 D CB 0.671 41.453 40.800 -0.029 0.000 1.053 117 D HN 0.315 nan 8.370 nan 0.000 0.507 118 R N 2.029 122.398 120.500 -0.219 0.000 2.189 118 R HA -0.051 4.659 4.340 0.617 0.000 0.223 118 R C 1.511 177.724 176.300 -0.145 0.000 1.092 118 R CA 0.668 56.685 56.100 -0.137 0.000 0.989 118 R CB -0.466 29.770 30.300 -0.107 0.000 0.876 118 R HN 0.404 nan 8.270 nan 0.000 0.457 119 T N 0.026 114.454 114.554 -0.210 0.000 2.951 119 T HA -0.066 4.653 4.350 0.617 0.000 0.268 119 T C 1.734 176.317 174.700 -0.195 0.000 1.073 119 T CA 1.773 63.725 62.100 -0.247 0.000 1.134 119 T CB 0.046 68.630 68.868 -0.472 0.000 0.884 119 T HN 0.492 nan 8.240 nan 0.000 0.479 120 T N -2.463 112.025 114.554 -0.110 0.000 2.955 120 T HA 0.461 5.181 4.350 0.617 0.000 0.251 120 T C 1.849 176.535 174.700 -0.024 0.000 1.002 120 T CA 0.800 62.877 62.100 -0.038 0.000 0.970 120 T CB 0.290 69.187 68.868 0.048 0.000 1.091 120 T HN 0.404 nan 8.240 nan 0.000 0.495 121 G N 1.520 110.299 108.800 -0.035 0.000 2.176 121 G HA2 -0.196 4.134 3.960 0.617 0.000 0.253 121 G HA3 -0.196 4.134 3.960 0.617 0.000 0.253 121 G C -0.194 174.706 174.900 -0.000 0.000 0.979 121 G CA -0.013 45.072 45.100 -0.025 0.000 0.641 121 G HN 0.584 nan 8.290 nan 0.000 0.530 122 E N 0.438 120.653 120.200 0.024 0.000 2.313 122 E HA 0.451 5.171 4.350 0.617 0.000 0.276 122 E C 0.682 177.326 176.600 0.072 0.000 1.031 122 E CA -0.508 55.922 56.400 0.051 0.000 0.857 122 E CB 1.812 31.555 29.700 0.073 0.000 1.040 122 E HN 0.166 nan 8.360 nan 0.000 0.408 123 V N 3.255 123.215 119.914 0.075 0.000 2.572 123 V HA -0.003 4.487 4.120 0.617 0.000 0.291 123 V C 0.480 176.663 176.094 0.148 0.000 1.039 123 V CA -0.335 62.027 62.300 0.103 0.000 1.055 123 V CB 1.151 33.032 31.823 0.097 0.000 0.969 123 V HN 0.365 nan 8.190 nan 0.000 0.482 124 V N 4.721 124.750 119.914 0.192 0.000 2.508 124 V HA 0.087 4.577 4.120 0.617 0.000 0.281 124 V C 0.530 176.802 176.094 0.297 0.000 1.041 124 V CA -0.399 62.044 62.300 0.238 0.000 1.016 124 V CB 1.258 33.238 31.823 0.260 0.000 0.984 124 V HN 0.983 nan 8.190 nan 0.000 0.478 125 D N 4.011 124.543 120.400 0.220 0.000 2.583 125 D HA -0.096 4.914 4.640 0.617 0.000 0.232 125 D C 1.501 177.937 176.300 0.226 0.000 1.128 125 D CA 0.962 55.071 54.000 0.181 0.000 0.859 125 D CB 1.093 41.952 40.800 0.098 0.000 1.169 125 D HN 0.712 nan 8.370 nan 0.000 0.481 126 S N 2.874 118.672 115.700 0.163 0.000 2.469 126 S HA -0.147 4.693 4.470 0.617 0.000 0.238 126 S C 1.816 176.216 174.600 -0.332 0.000 0.998 126 S CA 0.710 58.872 58.200 -0.063 0.000 0.957 126 S CB -0.200 63.041 63.200 0.068 0.000 0.764 126 S HN 0.516 nan 8.310 nan 0.000 0.514 127 A N 1.917 124.638 122.820 -0.165 0.000 2.168 127 A HA 0.107 4.797 4.320 0.617 0.000 0.215 127 A C 1.810 179.341 177.584 -0.087 0.000 1.152 127 A CA 0.930 52.863 52.037 -0.173 0.000 0.716 127 A CB -0.621 18.317 19.000 -0.103 0.000 0.794 127 A HN 0.776 nan 8.150 nan 0.000 0.465 128 N N -0.741 117.969 118.700 0.015 0.000 2.236 128 N HA 0.121 5.231 4.740 0.617 0.000 0.196 128 N C -0.321 175.327 175.510 0.230 0.000 1.114 128 N CA -0.192 52.921 53.050 0.105 0.000 0.859 128 N CB 0.340 38.905 38.487 0.130 0.000 0.982 128 N HN 0.831 nan 8.380 nan 0.000 0.493 129 W N 0.967 122.339 121.300 0.120 0.000 3.107 129 W HA 0.497 5.527 4.660 0.618 0.000 0.331 129 W C -1.190 175.469 176.519 0.233 0.000 1.204 129 W CA -0.864 56.566 57.345 0.140 0.000 1.184 129 W CB 0.606 30.131 29.460 0.109 0.000 1.421 129 W HN -0.272 nan 8.180 nan 0.000 0.544 130 T N 0.650 115.501 114.554 0.493 0.000 2.912 130 T HA 0.497 5.217 4.350 0.617 0.000 0.299 130 T C -1.356 173.607 174.700 0.438 0.000 1.052 130 T CA -0.773 61.542 62.100 0.359 0.000 0.996 130 T CB 2.159 71.157 68.868 0.216 0.000 1.070 130 T HN 0.618 nan 8.240 nan 0.000 0.465 131 L N 2.318 123.743 121.223 0.337 0.000 2.331 131 L HA 0.510 5.220 4.340 0.617 0.000 0.278 131 L C 0.081 177.061 176.870 0.183 0.000 1.106 131 L CA 0.116 55.099 54.840 0.239 0.000 0.824 131 L CB 0.338 42.491 42.059 0.155 0.000 1.142 131 L HN 0.886 nan 8.230 nan 0.000 0.443 132 D N 3.405 123.892 120.400 0.145 0.000 2.455 132 D HA 0.240 5.250 4.640 0.617 0.000 0.241 132 D C 1.069 177.438 176.300 0.116 0.000 1.138 132 D CA 0.891 55.002 54.000 0.185 0.000 0.877 132 D CB 1.502 42.408 40.800 0.177 0.000 1.187 132 D HN 0.800 nan 8.370 nan 0.000 0.451 133 A N 3.649 126.532 122.820 0.105 0.000 1.933 133 A HA -0.156 4.534 4.320 0.617 0.000 0.218 133 A C 1.529 179.149 177.584 0.060 0.000 1.175 133 A CA 1.387 53.465 52.037 0.068 0.000 0.628 133 A CB -0.084 18.947 19.000 0.052 0.000 0.814 133 A HN 0.721 nan 8.150 nan 0.000 0.444 134 D N -0.680 119.760 120.400 0.067 0.000 2.380 134 D HA 0.069 5.079 4.640 0.617 0.000 0.212 134 D C 0.519 176.849 176.300 0.050 0.000 1.021 134 D CA 0.659 54.691 54.000 0.053 0.000 0.884 134 D CB 0.229 41.058 40.800 0.048 0.000 1.001 134 D HN 0.842 nan 8.370 nan 0.000 0.506 135 E N 0.468 120.702 120.200 0.056 0.000 2.392 135 E HA 0.315 5.035 4.350 0.617 0.000 0.269 135 E C -1.114 175.498 176.600 0.019 0.000 0.924 135 E CA -0.805 55.618 56.400 0.039 0.000 0.784 135 E CB 1.334 31.057 29.700 0.039 0.000 1.292 135 E HN -0.344 nan 8.360 nan 0.000 0.447 136 D N 1.717 122.115 120.400 -0.003 0.000 2.608 136 D HA 0.190 5.200 4.640 0.617 0.000 0.224 136 D C -0.873 175.370 176.300 -0.095 0.000 1.123 136 D CA 0.329 54.299 54.000 -0.049 0.000 1.030 136 D CB 0.182 40.944 40.800 -0.064 0.000 1.093 136 D HN 0.283 nan 8.370 nan 0.000 0.497 137 T N -0.393 114.098 114.554 -0.106 0.000 2.933 137 T HA 0.342 5.062 4.350 0.617 0.000 0.305 137 T C -0.252 174.292 174.700 -0.261 0.000 1.092 137 T CA -0.580 61.405 62.100 -0.192 0.000 1.008 137 T CB 2.480 71.216 68.868 -0.220 0.000 1.102 137 T HN -0.172 nan 8.240 nan 0.000 0.469 138 V N 3.833 123.600 119.914 -0.245 0.000 2.417 138 V HA 0.377 4.867 4.120 0.617 0.000 0.291 138 V C -0.491 175.481 176.094 -0.204 0.000 1.024 138 V CA -0.843 61.369 62.300 -0.147 0.000 0.861 138 V CB 1.174 32.947 31.823 -0.083 0.000 0.985 138 V HN 0.830 nan 8.190 nan 0.000 0.436 139 H N 3.814 122.966 119.070 0.137 0.000 2.517 139 H HA 0.560 5.487 4.556 0.617 0.000 0.317 139 H C -0.542 174.865 175.328 0.133 0.000 1.080 139 H CA -0.270 55.834 56.048 0.094 0.000 1.301 139 H CB 1.827 31.639 29.762 0.083 0.000 1.425 139 H HN 0.380 nan 8.280 nan 0.000 0.471 140 V N 2.721 122.722 119.914 0.145 0.000 2.715 140 V HA 0.455 4.945 4.120 0.617 0.000 0.310 140 V C 0.245 176.350 176.094 0.017 0.000 1.054 140 V CA -0.782 61.575 62.300 0.094 0.000 0.928 140 V CB 1.825 33.609 31.823 -0.064 0.000 1.007 140 V HN 0.929 nan 8.190 nan 0.000 0.437 141 S N 1.033 116.748 115.700 0.026 0.000 2.661 141 S HA 0.788 5.628 4.470 0.617 0.000 0.285 141 S C 0.564 175.150 174.600 -0.025 0.000 1.138 141 S CA -0.080 58.109 58.200 -0.017 0.000 0.855 141 S CB 1.621 64.823 63.200 0.004 0.000 1.136 141 S HN 2.423 nan 8.310 nan 0.000 0.484 142 G N -0.163 108.615 108.800 -0.037 0.000 2.283 142 G HA2 -0.159 4.171 3.960 0.617 0.000 0.280 142 G HA3 -0.159 4.171 3.960 0.617 0.000 0.280 142 G C 0.150 175.028 174.900 -0.038 0.000 1.029 142 G CA 0.391 45.475 45.100 -0.027 0.000 0.840 142 G HN 1.914 nan 8.290 nan 0.000 0.505 143 V N -3.025 116.830 119.914 -0.099 0.000 2.973 143 V HA 0.938 5.428 4.120 0.617 0.000 0.314 143 V C 0.704 176.742 176.094 -0.094 0.000 1.066 143 V CA -0.680 61.548 62.300 -0.120 0.000 1.021 143 V CB 1.740 33.288 31.823 -0.458 0.000 1.076 143 V HN 1.665 nan 8.190 nan 0.000 0.462 144 A N 2.273 125.052 122.820 -0.069 0.000 2.362 144 A HA 0.776 5.466 4.320 0.617 0.000 0.276 144 A C 0.674 178.135 177.584 -0.206 0.000 1.153 144 A CA 0.053 51.938 52.037 -0.254 0.000 0.813 144 A CB -0.091 18.509 19.000 -0.668 0.000 1.081 144 A HN 2.106 nan 8.150 nan 0.000 0.507 145 A N 1.795 124.496 122.820 -0.198 0.000 2.483 145 A HA 0.417 5.107 4.320 0.617 0.000 0.238 145 A C 0.252 177.751 177.584 -0.142 0.000 1.070 145 A CA 0.706 52.531 52.037 -0.353 0.000 0.770 145 A CB -0.850 17.821 19.000 -0.548 0.000 1.008 145 A HN 1.663 nan 8.150 nan 0.000 0.497 146 W N -1.472 119.941 121.300 0.188 0.000 2.560 146 W HA -0.193 4.837 4.660 0.616 0.000 0.279 146 W C 0.369 177.066 176.519 0.297 0.000 1.090 146 W CA 0.787 58.257 57.345 0.207 0.000 0.535 146 W CB -2.332 27.220 29.460 0.154 0.000 2.121 146 W HN 0.874 nan 8.180 nan 0.000 1.314 147 H N 0.246 119.418 119.070 0.169 0.000 2.525 147 H HA 0.452 5.378 4.556 0.617 0.000 0.340 147 H C 0.253 175.529 175.328 -0.086 0.000 1.168 147 H CA -1.007 55.029 56.048 -0.020 0.000 1.247 147 H CB 1.243 30.888 29.762 -0.194 0.000 1.568 147 H HN -0.060 nan 8.280 nan 0.000 0.536 148 E N 1.411 121.543 120.200 -0.112 0.000 2.216 148 E HA 0.220 4.940 4.350 0.617 0.000 0.279 148 E C -1.214 175.190 176.600 -0.326 0.000 0.997 148 E CA -0.393 55.957 56.400 -0.083 0.000 0.817 148 E CB 1.286 30.960 29.700 -0.043 0.000 1.096 148 E HN 0.372 nan 8.360 nan 0.000 0.393 149 Y N 0.318 120.643 120.300 0.041 0.000 2.485 149 Y HA 0.364 5.284 4.550 0.617 0.000 0.345 149 Y C 0.312 176.209 175.900 -0.004 0.000 0.998 149 Y CA -0.723 57.388 58.100 0.017 0.000 1.059 149 Y CB 2.267 40.731 38.460 0.006 0.000 1.234 149 Y HN 0.420 nan 8.280 nan 0.000 0.461 150 T N -1.151 113.471 114.554 0.113 0.000 2.906 150 T HA 0.765 5.485 4.350 0.617 0.000 0.295 150 T C -1.261 173.440 174.700 0.001 0.000 1.061 150 T CA -0.896 61.235 62.100 0.052 0.000 1.000 150 T CB 1.430 70.311 68.868 0.021 0.000 1.103 150 T HN 0.315 nan 8.240 nan 0.000 0.486 151 V N 2.151 122.058 119.914 -0.012 0.000 2.472 151 V HA 0.555 5.045 4.120 0.617 0.000 0.290 151 V C 0.056 176.155 176.094 0.008 0.000 1.037 151 V CA -0.740 61.520 62.300 -0.067 0.000 0.908 151 V CB 1.732 33.475 31.823 -0.133 0.000 0.985 151 V HN 1.094 nan 8.190 nan 0.000 0.454 152 S N 5.866 121.534 115.700 -0.053 0.000 2.422 152 S HA 0.773 5.613 4.470 0.617 0.000 0.308 152 S C -0.619 173.915 174.600 -0.110 0.000 1.097 152 S CA -0.486 57.659 58.200 -0.093 0.000 1.099 152 S CB 0.463 63.567 63.200 -0.160 0.000 0.976 152 S HN 0.632 nan 8.310 nan 0.000 0.471 153 F N 0.469 120.162 119.950 -0.428 0.000 2.613 153 F HA 0.728 5.627 4.527 0.620 0.000 0.314 153 F C -1.316 174.054 175.800 -0.718 0.000 1.075 153 F CA -1.614 55.707 58.000 -1.132 0.000 0.945 153 F CB 0.780 38.605 39.000 -1.957 0.000 1.310 153 F HN 0.261 nan 8.300 nan 0.000 0.467 154 L N 2.763 123.607 121.223 -0.632 0.000 2.349 154 L HA 0.707 5.417 4.340 0.617 0.000 0.275 154 L C 0.020 176.679 176.870 -0.351 0.000 1.115 154 L CA -0.674 53.829 54.840 -0.561 0.000 0.820 154 L CB 1.276 43.087 42.059 -0.413 0.000 1.135 154 L HN 0.952 nan 8.230 nan 0.000 0.445 155 A N 3.137 125.683 122.820 -0.457 0.000 2.371 155 A HA 0.641 5.331 4.320 0.617 0.000 0.311 155 A C -1.315 176.121 177.584 -0.246 0.000 1.068 155 A CA -0.521 51.356 52.037 -0.267 0.000 0.744 155 A CB 0.772 19.604 19.000 -0.280 0.000 1.239 155 A HN 0.484 nan 8.150 nan 0.000 0.435 156 Y N 1.051 121.336 120.300 -0.025 0.000 2.411 156 Y HA 0.335 5.254 4.550 0.616 0.000 0.333 156 Y C 0.563 176.459 175.900 -0.007 0.000 1.186 156 Y CA 0.180 58.276 58.100 -0.007 0.000 1.381 156 Y CB 0.540 39.012 38.460 0.021 0.000 1.273 156 Y HN 0.436 nan 8.280 nan 0.000 0.546 157 I N 5.532 126.213 120.570 0.186 0.000 2.291 157 I HA 0.155 4.695 4.170 0.617 0.000 0.290 157 I C 0.881 177.086 176.117 0.147 0.000 1.050 157 I CA -0.081 61.292 61.300 0.121 0.000 1.245 157 I CB 0.504 38.554 38.000 0.082 0.000 1.405 157 I HN 0.661 nan 8.210 nan 0.000 0.478 158 I N 2.638 123.292 120.570 0.141 0.000 3.883 158 I HA 0.265 4.805 4.170 0.617 0.000 0.326 158 I C -0.194 176.036 176.117 0.188 0.000 1.283 158 I CA 0.136 61.511 61.300 0.125 0.000 1.161 158 I CB 0.301 38.343 38.000 0.070 0.000 1.012 158 I HN 0.458 nan 8.210 nan 0.000 0.421 159 W N 2.926 124.208 121.300 -0.030 0.000 2.968 159 W HA 0.364 5.398 4.660 0.622 0.000 0.337 159 W C -1.115 175.362 176.519 -0.071 0.000 1.060 159 W CA -1.910 55.401 57.345 -0.057 0.000 1.240 159 W CB 1.158 30.533 29.460 -0.141 0.000 1.370 159 W HN -0.002 nan 8.180 nan 0.000 0.459 160 D N 7.067 127.633 120.400 0.277 0.000 2.502 160 D HA 0.007 5.017 4.640 0.617 0.000 0.249 160 D C -1.379 174.810 176.300 -0.186 0.000 1.188 160 D CA -0.140 53.877 54.000 0.028 0.000 0.890 160 D CB 1.568 42.386 40.800 0.029 0.000 1.140 160 D HN 0.035 nan 8.370 nan 0.000 0.505 161 P HA -0.194 nan 4.420 nan 0.000 0.216 161 P C 1.381 178.486 177.300 -0.325 0.000 1.150 161 P CA 0.522 63.437 63.100 -0.309 0.000 0.843 161 P CB 0.242 31.804 31.700 -0.230 0.000 0.787 162 V N -0.021 119.755 119.914 -0.230 0.000 2.283 162 V HA -0.189 4.301 4.120 0.617 0.000 0.243 162 V C 2.506 178.527 176.094 -0.123 0.000 1.039 162 V CA 1.698 63.906 62.300 -0.153 0.000 1.016 162 V CB -1.034 30.728 31.823 -0.102 0.000 0.650 162 V HN 0.142 nan 8.190 nan 0.000 0.449 163 E N -0.141 119.992 120.200 -0.111 0.000 2.118 163 E HA -0.283 4.437 4.350 0.617 0.000 0.195 163 E C 2.168 178.710 176.600 -0.097 0.000 0.992 163 E CA 1.941 58.343 56.400 0.002 0.000 0.804 163 E CB -0.179 29.594 29.700 0.121 0.000 0.741 163 E HN 0.582 nan 8.360 nan 0.000 0.458 164 M N -0.402 118.876 119.600 -0.537 0.000 2.067 164 M HA -0.240 4.610 4.480 0.617 0.000 0.260 164 M C 2.336 178.175 176.300 -0.767 0.000 1.069 164 M CA 1.758 56.327 55.300 -1.218 0.000 1.117 164 M CB -0.498 30.927 32.600 -1.960 0.000 1.334 164 M HN 0.142 nan 8.290 nan 0.000 0.407 165 Y N 1.361 121.249 120.300 -0.687 0.000 2.114 165 Y HA -0.337 4.590 4.550 0.629 0.000 0.282 165 Y C 1.644 177.311 175.900 -0.389 0.000 1.165 165 Y CA 2.696 60.511 58.100 -0.475 0.000 1.148 165 Y CB -0.753 37.543 38.460 -0.273 0.000 0.972 165 Y HN 0.453 nan 8.280 nan 0.000 0.504 166 N N -1.443 117.018 118.700 -0.399 0.000 2.188 166 N HA -0.191 4.919 4.740 0.617 0.000 0.184 166 N C 1.722 176.560 175.510 -1.119 0.000 1.018 166 N CA 1.177 53.827 53.050 -0.667 0.000 0.858 166 N CB -0.386 37.843 38.487 -0.430 0.000 0.989 166 N HN 0.547 nan 8.380 nan 0.000 0.426 167 H N 0.504 119.046 119.070 -0.880 0.000 2.321 167 H HA 0.010 4.936 4.556 0.616 0.000 0.300 167 H C 1.802 176.863 175.328 -0.445 0.000 1.087 167 H CA 1.420 57.126 56.048 -0.569 0.000 1.319 167 H CB 0.018 29.920 29.762 0.233 0.000 1.379 167 H HN 0.105 nan 8.280 nan 0.000 0.501 168 L N -0.676 120.421 121.223 -0.210 0.000 2.072 168 L HA -0.124 4.586 4.340 0.617 0.000 0.205 168 L C 2.523 179.209 176.870 -0.306 0.000 1.079 168 L CA 1.476 56.214 54.840 -0.170 0.000 0.752 168 L CB -0.548 41.385 42.059 -0.209 0.000 0.906 168 L HN 0.357 nan 8.230 nan 0.000 0.436 169 T N -0.218 114.017 114.554 -0.532 0.000 2.708 169 T HA -0.152 4.568 4.350 0.617 0.000 0.266 169 T C 1.343 175.817 174.700 -0.377 0.000 1.037 169 T CA 1.736 63.524 62.100 -0.520 0.000 1.146 169 T CB -0.351 68.014 68.868 -0.839 0.000 0.865 169 T HN 0.403 nan 8.240 nan 0.000 0.435 170 N N 0.766 119.151 118.700 -0.525 0.000 2.322 170 N HA 0.126 5.236 4.740 0.617 0.000 0.194 170 N C -0.328 175.042 175.510 -0.233 0.000 1.126 170 N CA -0.022 52.820 53.050 -0.346 0.000 0.845 170 N CB 0.189 38.441 38.487 -0.391 0.000 0.976 170 N HN 0.145 nan 8.380 nan 0.000 0.475 171 D N -0.580 119.675 120.400 -0.241 0.000 2.737 171 D HA -0.181 4.829 4.640 0.617 0.000 0.238 171 D C -0.389 175.927 176.300 0.027 0.000 1.157 171 D CA 0.215 54.175 54.000 -0.067 0.000 0.694 171 D CB -0.851 39.952 40.800 0.005 0.000 1.021 171 D HN 0.332 nan 8.370 nan 0.000 0.420 172 W N 1.040 122.141 121.300 -0.332 0.000 2.937 172 W HA 0.293 5.324 4.660 0.618 0.000 0.245 172 W C 2.137 178.487 176.519 -0.282 0.000 1.306 172 W CA 0.740 57.819 57.345 -0.443 0.000 1.470 172 W CB -0.929 28.094 29.460 -0.729 0.000 1.132 172 W HN 0.558 nan 8.180 nan 0.000 0.675 173 G N 1.617 110.490 108.800 0.121 0.000 2.646 173 G HA2 -0.423 3.907 3.960 0.617 0.000 0.324 173 G HA3 -0.423 3.907 3.960 0.617 0.000 0.324 173 G C 0.888 176.045 174.900 0.427 0.000 1.195 173 G CA 1.197 46.467 45.100 0.283 0.000 0.976 173 G HN 0.201 nan 8.290 nan 0.000 0.546 174 D N 1.636 122.190 120.400 0.256 0.000 2.347 174 D HA 0.100 5.110 4.640 0.617 0.000 0.213 174 D C 1.412 177.824 176.300 0.186 0.000 0.985 174 D CA 0.643 54.755 54.000 0.188 0.000 0.879 174 D CB 0.026 40.879 40.800 0.089 0.000 0.919 174 D HN 0.575 nan 8.370 nan 0.000 0.526 175 K N 1.821 122.387 120.400 0.276 0.000 2.550 175 K HA -0.096 4.594 4.320 0.617 0.000 0.280 175 K C 0.361 177.109 176.600 0.247 0.000 0.987 175 K CA 0.111 56.532 56.287 0.224 0.000 1.048 175 K CB 0.594 33.196 32.500 0.170 0.000 0.879 175 K HN -0.038 nan 8.250 nan 0.000 0.491 176 E N 2.630 122.865 120.200 0.059 0.000 2.442 176 E HA -0.065 4.655 4.350 0.617 0.000 0.262 176 E C -0.754 175.853 176.600 0.012 0.000 1.004 176 E CA 0.173 56.525 56.400 -0.081 0.000 0.928 176 E CB 0.369 30.021 29.700 -0.080 0.000 0.937 176 E HN 0.526 nan 8.360 nan 0.000 0.446 177 H N 2.948 121.794 119.070 -0.373 0.000 2.580 177 H HA 0.122 5.049 4.556 0.618 0.000 0.322 177 H C -0.346 174.821 175.328 -0.267 0.000 1.082 177 H CA -0.607 55.053 56.048 -0.646 0.000 1.383 177 H CB 0.735 29.480 29.762 -1.696 0.000 1.450 177 H HN 0.421 nan 8.280 nan 0.000 0.505 178 E N 3.469 123.756 120.200 0.146 0.000 2.257 178 E HA 0.107 4.827 4.350 0.617 0.000 0.278 178 E C -0.244 176.471 176.600 0.191 0.000 1.049 178 E CA -0.247 56.246 56.400 0.155 0.000 0.876 178 E CB 0.941 30.725 29.700 0.140 0.000 1.035 178 E HN 0.397 nan 8.360 nan 0.000 0.419 179 I N 6.664 127.321 120.570 0.145 0.000 2.352 179 I HA 0.170 4.710 4.170 0.617 0.000 0.290 179 I C -1.873 174.348 176.117 0.172 0.000 1.036 179 I CA -2.020 59.378 61.300 0.163 0.000 1.336 179 I CB 0.547 38.629 38.000 0.135 0.000 1.407 179 I HN 0.275 nan 8.210 nan 0.000 0.497 180 P HA 0.358 nan 4.420 nan 0.000 0.278 180 P C -1.165 176.183 177.300 0.080 0.000 1.266 180 P CA -0.179 62.876 63.100 -0.077 0.000 0.807 180 P CB 0.801 32.485 31.700 -0.027 0.000 1.094 181 F N -2.167 117.905 119.950 0.204 0.000 2.613 181 F HA 0.612 5.511 4.527 0.620 0.000 0.314 181 F C -0.583 175.357 175.800 0.232 0.000 1.075 181 F CA -1.241 56.904 58.000 0.242 0.000 0.945 181 F CB 0.971 40.164 39.000 0.320 0.000 1.310 181 F HN 0.042 nan 8.300 nan 0.000 0.467 182 D N 1.965 122.668 120.400 0.505 0.000 2.460 182 D HA 0.277 5.287 4.640 0.617 0.000 0.232 182 D C 0.674 177.215 176.300 0.401 0.000 1.079 182 D CA -0.571 53.660 54.000 0.385 0.000 0.864 182 D CB 1.108 42.175 40.800 0.445 0.000 1.048 182 D HN 0.683 nan 8.370 nan 0.000 0.523 183 I N 1.381 122.111 120.570 0.268 0.000 3.241 183 I HA -0.044 4.496 4.170 0.617 0.000 0.280 183 I C 1.238 177.523 176.117 0.281 0.000 1.320 183 I CA 0.308 61.736 61.300 0.213 0.000 1.413 183 I CB -0.452 37.516 38.000 -0.052 0.000 1.060 183 I HN 0.259 nan 8.210 nan 0.000 0.500 184 Y N 1.869 122.218 120.300 0.082 0.000 2.333 184 Y HA -0.088 4.832 4.550 0.617 0.000 0.290 184 Y C 1.374 177.153 175.900 -0.201 0.000 1.144 184 Y CA 0.967 58.922 58.100 -0.242 0.000 1.228 184 Y CB -0.129 38.048 38.460 -0.473 0.000 0.985 184 Y HN 0.310 nan 8.280 nan 0.000 0.542 185 H N 1.306 120.500 119.070 0.207 0.000 2.580 185 H HA 0.106 5.032 4.556 0.617 0.000 0.322 185 H C -1.547 173.853 175.328 0.119 0.000 1.082 185 H CA -2.053 54.088 56.048 0.156 0.000 1.383 185 H CB 0.892 30.779 29.762 0.209 0.000 1.450 185 H HN 0.123 nan 8.280 nan 0.000 0.505 186 P HA -0.144 nan 4.420 nan 0.000 0.217 186 P C 1.271 178.659 177.300 0.147 0.000 1.150 186 P CA 1.371 64.544 63.100 0.122 0.000 0.832 186 P CB 0.212 31.963 31.700 0.084 0.000 0.787 187 A N -0.172 122.764 122.820 0.192 0.000 1.855 187 A HA -0.139 4.551 4.320 0.617 0.000 0.215 187 A C 2.407 180.110 177.584 0.199 0.000 1.191 187 A CA 2.433 54.598 52.037 0.214 0.000 0.613 187 A CB -1.931 17.209 19.000 0.233 0.000 0.829 187 A HN 0.149 nan 8.150 nan 0.000 0.442 188 T N -0.724 114.024 114.554 0.323 0.000 2.720 188 T HA -0.181 4.539 4.350 0.617 0.000 0.268 188 T C 2.082 176.821 174.700 0.065 0.000 1.037 188 T CA 1.648 63.885 62.100 0.229 0.000 1.144 188 T CB -0.262 68.880 68.868 0.456 0.000 0.864 188 T HN 0.544 nan 8.240 nan 0.000 0.444 189 R N 1.019 121.600 120.500 0.135 0.000 2.073 189 R HA -0.075 4.635 4.340 0.617 0.000 0.234 189 R C 2.497 178.884 176.300 0.146 0.000 1.134 189 R CA 1.620 57.796 56.100 0.127 0.000 0.952 189 R CB -0.217 30.183 30.300 0.166 0.000 0.850 189 R HN 0.271 nan 8.270 nan 0.000 0.433 190 K N -0.209 120.247 120.400 0.093 0.000 2.044 190 K HA -0.226 4.464 4.320 0.617 0.000 0.210 190 K C 2.019 178.578 176.600 -0.069 0.000 1.049 190 K CA 1.900 58.217 56.287 0.050 0.000 0.927 190 K CB -0.383 32.132 32.500 0.025 0.000 0.713 190 K HN 0.179 nan 8.250 nan 0.000 0.443 191 F N 1.339 121.022 119.950 -0.445 0.000 2.095 191 F HA -0.233 4.663 4.527 0.616 0.000 0.298 191 F C 1.910 177.440 175.800 -0.450 0.000 1.104 191 F CA 1.437 58.994 58.000 -0.739 0.000 1.232 191 F CB -0.483 37.428 39.000 -1.815 0.000 0.987 191 F HN -0.181 nan 8.300 nan 0.000 0.475 192 V N -0.020 119.679 119.914 -0.357 0.000 2.295 192 V HA -0.313 4.177 4.120 0.617 0.000 0.246 192 V C 2.310 178.244 176.094 -0.268 0.000 1.049 192 V CA 2.217 64.339 62.300 -0.296 0.000 1.024 192 V CB -0.860 30.901 31.823 -0.102 0.000 0.648 192 V HN 0.308 nan 8.190 nan 0.000 0.447 193 F N 0.475 120.378 119.950 -0.078 0.000 2.134 193 F HA -0.142 4.755 4.527 0.617 0.000 0.299 193 F C 2.304 178.087 175.800 -0.029 0.000 1.097 193 F CA 1.711 59.713 58.000 0.004 0.000 1.264 193 F CB -0.642 38.347 39.000 -0.019 0.000 1.001 193 F HN 0.214 nan 8.300 nan 0.000 0.479 194 D N -0.590 119.823 120.400 0.022 0.000 2.117 194 D HA -0.132 4.878 4.640 0.617 0.000 0.197 194 D C 2.284 178.512 176.300 -0.119 0.000 0.987 194 D CA 1.839 55.802 54.000 -0.062 0.000 0.829 194 D CB -0.791 39.939 40.800 -0.116 0.000 0.961 194 D HN 0.192 nan 8.370 nan 0.000 0.460 195 T N 0.546 114.913 114.554 -0.311 0.000 2.746 195 T HA -0.156 4.564 4.350 0.617 0.000 0.267 195 T C 1.692 176.450 174.700 0.097 0.000 1.039 195 T CA 0.658 62.598 62.100 -0.267 0.000 1.142 195 T CB -0.422 68.019 68.868 -0.712 0.000 0.866 195 T HN 0.096 nan 8.240 nan 0.000 0.444 196 F N 2.023 121.953 119.950 -0.034 0.000 2.146 196 F HA -0.000 4.898 4.527 0.619 0.000 0.298 196 F C 2.372 178.227 175.800 0.092 0.000 1.096 196 F CA 1.202 59.184 58.000 -0.029 0.000 1.275 196 F CB -0.407 38.492 39.000 -0.169 0.000 1.008 196 F HN 0.173 nan 8.300 nan 0.000 0.480 197 E N -0.235 119.948 120.200 -0.029 0.000 2.038 197 E HA -0.338 4.382 4.350 0.617 0.000 0.195 197 E C 2.232 178.782 176.600 -0.083 0.000 1.000 197 E CA 1.545 57.881 56.400 -0.106 0.000 0.803 197 E CB -0.295 29.401 29.700 -0.006 0.000 0.750 197 E HN 0.425 nan 8.360 nan 0.000 0.448 198 Q N 0.269 120.063 119.800 -0.010 0.000 2.061 198 Q HA -0.203 4.507 4.340 0.617 0.000 0.204 198 Q C 1.706 177.729 176.000 0.038 0.000 0.984 198 Q CA 2.320 58.130 55.803 0.011 0.000 0.846 198 Q CB -0.907 27.852 28.738 0.035 0.000 0.902 198 Q HN 0.514 nan 8.270 nan 0.000 0.421 199 W N 0.167 121.422 121.300 -0.076 0.000 2.321 199 W HA -0.205 4.826 4.660 0.619 0.000 0.306 199 W C 1.540 177.970 176.519 -0.148 0.000 1.217 199 W CA 1.737 59.063 57.345 -0.031 0.000 1.257 199 W CB -0.246 29.289 29.460 0.126 0.000 1.145 199 W HN 0.237 nan 8.180 nan 0.000 0.509 200 L N 0.434 121.598 121.223 -0.099 0.000 2.083 200 L HA -0.235 4.475 4.340 0.617 0.000 0.209 200 L C 2.442 179.146 176.870 -0.277 0.000 1.083 200 L CA 1.695 56.366 54.840 -0.282 0.000 0.752 200 L CB -0.743 41.095 42.059 -0.368 0.000 0.899 200 L HN -0.054 nan 8.230 nan 0.000 0.433 201 K N -0.325 119.957 120.400 -0.197 0.000 2.097 201 K HA -0.129 4.561 4.320 0.617 0.000 0.205 201 K C 1.235 177.726 176.600 -0.182 0.000 1.050 201 K CA 1.165 57.359 56.287 -0.154 0.000 0.938 201 K CB -0.046 32.396 32.500 -0.098 0.000 0.718 201 K HN 0.208 nan 8.250 nan 0.000 0.442 202 D N -0.031 120.232 120.400 -0.228 0.000 2.349 202 D HA 0.005 5.015 4.640 0.617 0.000 0.224 202 D C -0.202 175.887 176.300 -0.352 0.000 1.029 202 D CA 0.583 54.442 54.000 -0.235 0.000 0.879 202 D CB 0.477 41.170 40.800 -0.177 0.000 0.906 202 D HN -0.092 nan 8.370 nan 0.000 0.528 203 S N 1.132 116.543 115.700 -0.481 0.000 2.272 203 S HA 0.156 4.996 4.470 0.617 0.000 0.207 203 S C -1.775 172.629 174.600 -0.327 0.000 1.336 203 S CA -0.905 56.978 58.200 -0.528 0.000 1.259 203 S CB 1.554 64.117 63.200 -1.062 0.000 1.130 203 S HN 0.107 nan 8.310 nan 0.000 0.444 204 P HA -0.194 nan 4.420 nan 0.000 0.220 204 P C 1.489 178.733 177.300 -0.093 0.000 1.148 204 P CA 1.165 64.187 63.100 -0.130 0.000 0.803 204 P CB 0.158 31.801 31.700 -0.095 0.000 0.782 205 Q N -0.063 119.682 119.800 -0.091 0.000 2.435 205 Q HA 0.013 4.723 4.340 0.617 0.000 0.207 205 Q C 0.103 176.091 176.000 -0.020 0.000 0.956 205 Q CA 0.816 56.593 55.803 -0.044 0.000 0.917 205 Q CB -1.457 27.261 28.738 -0.033 0.000 0.997 205 Q HN 0.076 nan 8.270 nan 0.000 0.497 206 T N 2.951 117.474 114.554 -0.051 0.000 2.851 206 T HA 0.111 4.831 4.350 0.617 0.000 0.298 206 T C 0.123 174.845 174.700 0.035 0.000 0.977 206 T CA -0.099 62.006 62.100 0.008 0.000 1.126 206 T CB 0.974 69.832 68.868 -0.018 0.000 0.916 206 T HN 0.207 nan 8.240 nan 0.000 0.529 207 D N 1.433 121.886 120.400 0.088 0.000 2.423 207 D HA 0.137 5.147 4.640 0.617 0.000 0.212 207 D C 0.122 176.477 176.300 0.093 0.000 1.060 207 D CA 0.467 54.524 54.000 0.095 0.000 0.872 207 D CB 0.834 41.706 40.800 0.120 0.000 1.012 207 D HN 0.257 nan 8.370 nan 0.000 0.503 208 V N 2.091 122.046 119.914 0.069 0.000 2.569 208 V HA 0.203 4.693 4.120 0.617 0.000 0.301 208 V C -0.113 175.926 176.094 -0.092 0.000 1.044 208 V CA -0.843 61.419 62.300 -0.063 0.000 0.874 208 V CB 2.642 34.243 31.823 -0.370 0.000 1.002 208 V HN -0.218 nan 8.190 nan 0.000 0.424 209 V N 5.055 124.906 119.914 -0.106 0.000 2.432 209 V HA 0.383 4.873 4.120 0.617 0.000 0.271 209 V C 0.658 176.470 176.094 -0.471 0.000 1.046 209 V CA -0.431 61.696 62.300 -0.288 0.000 0.945 209 V CB 1.021 32.584 31.823 -0.434 0.000 0.992 209 V HN 0.807 nan 8.190 nan 0.000 0.471 210 R N 4.746 124.982 120.500 -0.439 0.000 2.825 210 R HA 0.308 5.018 4.340 0.617 0.000 0.261 210 R C -0.842 175.187 176.300 -0.451 0.000 1.341 210 R CA -0.537 55.352 56.100 -0.352 0.000 1.353 210 R CB -0.083 30.098 30.300 -0.199 0.000 1.191 210 R HN 0.558 nan 8.270 nan 0.000 0.590 211 F N 1.723 121.476 119.950 -0.329 0.000 2.571 211 F HA 0.007 4.903 4.527 0.614 0.000 0.390 211 F C 0.836 176.358 175.800 -0.464 0.000 1.043 211 F CA 0.761 58.441 58.000 -0.533 0.000 1.164 211 F CB 0.930 39.383 39.000 -0.911 0.000 1.049 211 F HN 0.215 nan 8.300 nan 0.000 0.552 212 T N 2.104 116.515 114.554 -0.237 0.000 3.466 212 T HA 0.272 4.992 4.350 0.617 0.000 0.297 212 T C 0.495 175.247 174.700 0.086 0.000 1.640 212 T CA -0.395 61.680 62.100 -0.042 0.000 1.631 212 T CB 0.513 69.336 68.868 -0.075 0.000 0.928 212 T HN 0.595 nan 8.240 nan 0.000 0.688 213 T N -0.000 114.550 114.554 -0.007 0.000 2.638 213 T HA 0.521 5.241 4.350 0.617 0.000 0.169 213 T C 0.057 174.378 174.700 -0.632 0.000 0.790 213 T CA 0.017 61.972 62.100 -0.241 0.000 1.151 213 T CB 0.176 69.037 68.868 -0.013 0.000 2.581 213 T HN 0.197 nan 8.240 nan 0.000 0.391 214 F N -0.656 119.152 119.950 -0.237 0.000 2.126 214 F HA 0.518 5.413 4.527 0.612 0.000 0.203 214 F C 1.091 176.470 175.800 -0.702 0.000 1.230 214 F CA -0.551 56.983 58.000 -0.777 0.000 1.271 214 F CB -0.172 38.198 39.000 -1.049 0.000 1.758 214 F HN 0.167 nan 8.300 nan 0.000 0.304 215 F N -2.113 117.899 119.950 0.103 0.000 2.712 215 F HA 0.290 5.189 4.527 0.619 0.000 0.297 215 F C -0.751 174.728 175.800 -0.536 0.000 1.114 215 F CA -0.660 57.196 58.000 -0.239 0.000 1.305 215 F CB -0.169 38.639 39.000 -0.319 0.000 1.086 215 F HN -0.123 nan 8.300 nan 0.000 0.599 216 Y N 0.820 121.270 120.300 0.250 0.000 2.331 216 Y HA 0.490 5.408 4.550 0.613 0.000 0.326 216 Y C -0.045 175.910 175.900 0.091 0.000 1.020 216 Y CA -1.857 56.343 58.100 0.165 0.000 1.136 216 Y CB 1.095 39.657 38.460 0.170 0.000 1.157 216 Y HN -0.213 nan 8.280 nan 0.000 0.444 217 Q N 3.665 123.573 119.800 0.180 0.000 2.337 217 Q HA 0.237 4.947 4.340 0.617 0.000 0.270 217 Q C -0.696 175.320 176.000 0.026 0.000 1.002 217 Q CA -0.399 55.421 55.803 0.029 0.000 0.888 217 Q CB 0.214 28.903 28.738 -0.081 0.000 1.222 217 Q HN 0.459 nan 8.270 nan 0.000 0.400 218 F N 0.788 120.799 119.950 0.102 0.000 2.506 218 F HA 0.326 5.262 4.527 0.682 0.000 0.351 218 F C 0.347 176.199 175.800 0.087 0.000 1.136 218 F CA -0.895 57.141 58.000 0.059 0.000 1.298 218 F CB -0.292 38.752 39.000 0.073 0.000 1.145 218 F HN 0.395 nan 8.300 nan 0.000 0.593 219 T N 4.971 119.693 114.554 0.280 0.000 2.709 219 T HA 0.226 4.946 4.350 0.617 0.000 0.269 219 T C -0.447 174.363 174.700 0.184 0.000 1.008 219 T CA 0.454 62.661 62.100 0.179 0.000 1.194 219 T CB -0.274 68.710 68.868 0.193 0.000 0.986 219 T HN 0.649 nan 8.240 nan 0.000 0.508 220 L N 5.833 127.080 121.223 0.040 0.000 2.666 220 L HA 0.461 5.171 4.340 0.617 0.000 0.258 220 L C -1.529 175.416 176.870 0.124 0.000 0.991 220 L CA -0.152 54.727 54.840 0.066 0.000 0.916 220 L CB 0.786 42.775 42.059 -0.116 0.000 1.199 220 L HN 0.570 nan 8.230 nan 0.000 0.439 221 L N 3.842 125.163 121.223 0.163 0.000 2.365 221 L HA 0.616 5.326 4.340 0.617 0.000 0.273 221 L C -0.916 176.147 176.870 0.320 0.000 1.000 221 L CA -0.555 54.416 54.840 0.219 0.000 0.819 221 L CB 1.920 44.030 42.059 0.085 0.000 1.284 221 L HN 0.275 nan 8.230 nan 0.000 0.418 222 F N 0.707 120.724 119.950 0.111 0.000 2.470 222 F HA 0.377 5.271 4.527 0.613 0.000 0.329 222 F C 0.432 176.322 175.800 0.150 0.000 1.072 222 F CA -0.948 57.102 58.000 0.084 0.000 0.989 222 F CB 1.471 40.503 39.000 0.053 0.000 1.193 222 F HN 0.527 nan 8.300 nan 0.000 0.481 223 D N 0.273 120.716 120.400 0.072 0.000 2.466 223 D HA 0.102 5.112 4.640 0.617 0.000 0.262 223 D C 0.874 177.230 176.300 0.093 0.000 1.177 223 D CA -0.392 53.625 54.000 0.029 0.000 1.035 223 D CB 0.246 40.976 40.800 -0.117 0.000 1.105 223 D HN 0.547 nan 8.370 nan 0.000 0.551 224 E N 0.266 120.514 120.200 0.081 0.000 2.338 224 E HA -0.221 4.499 4.350 0.617 0.000 0.197 224 E C 0.589 177.225 176.600 0.060 0.000 1.007 224 E CA 1.009 57.495 56.400 0.144 0.000 0.849 224 E CB -0.313 29.452 29.700 0.108 0.000 0.774 224 E HN 0.546 nan 8.360 nan 0.000 0.506 225 K N 0.641 121.021 120.400 -0.033 0.000 2.437 225 K HA 0.197 4.887 4.320 0.617 0.000 0.198 225 K C -0.144 176.359 176.600 -0.162 0.000 1.024 225 K CA -0.052 56.192 56.287 -0.071 0.000 1.148 225 K CB 0.145 32.605 32.500 -0.066 0.000 0.860 225 K HN 0.033 nan 8.250 nan 0.000 0.515 226 R N 0.221 120.530 120.500 -0.318 0.000 3.770 226 R HA -0.207 4.503 4.340 0.617 0.000 0.305 226 R C -0.611 175.589 176.300 -0.167 0.000 1.184 226 R CA 0.691 56.474 56.100 -0.529 0.000 0.823 226 R CB -1.973 28.003 30.300 -0.540 0.000 1.285 226 R HN 0.198 nan 8.270 nan 0.000 0.499 227 R N 0.951 121.304 120.500 -0.244 0.000 2.674 227 R HA 0.290 5.000 4.340 0.617 0.000 0.266 227 R C 0.156 175.870 176.300 -0.977 0.000 1.016 227 R CA -0.977 54.880 56.100 -0.405 0.000 1.062 227 R CB 0.833 30.971 30.300 -0.270 0.000 1.142 227 R HN 0.137 nan 8.270 nan 0.000 0.517 228 E N 1.714 121.165 120.200 -1.247 0.000 2.384 228 E HA -0.093 4.627 4.350 0.617 0.000 0.266 228 E C 0.064 176.317 176.600 -0.578 0.000 1.012 228 E CA 0.308 55.921 56.400 -1.311 0.000 0.901 228 E CB 0.822 30.081 29.700 -0.735 0.000 0.967 228 E HN 0.439 nan 8.360 nan 0.000 0.435 229 K N 2.868 123.036 120.400 -0.387 0.000 2.325 229 K HA 0.141 4.831 4.320 0.617 0.000 0.203 229 K C -0.525 175.982 176.600 -0.155 0.000 1.128 229 K CA 0.274 56.435 56.287 -0.210 0.000 0.931 229 K CB 0.898 33.320 32.500 -0.129 0.000 1.125 229 K HN 0.375 nan 8.250 nan 0.000 0.487 230 V N 1.717 121.550 119.914 -0.136 0.000 2.686 230 V HA 0.433 4.923 4.120 0.617 0.000 0.306 230 V C -1.214 174.857 176.094 -0.039 0.000 1.065 230 V CA -0.936 61.280 62.300 -0.139 0.000 0.894 230 V CB 1.700 33.300 31.823 -0.372 0.000 1.004 230 V HN -0.013 nan 8.190 nan 0.000 0.424 231 V N 3.292 123.222 119.914 0.027 0.000 2.760 231 V HA 0.809 5.299 4.120 0.617 0.000 0.309 231 V C -1.938 174.266 176.094 0.183 0.000 1.077 231 V CA -0.145 62.241 62.300 0.144 0.000 0.910 231 V CB 2.251 34.162 31.823 0.148 0.000 1.008 231 V HN 1.012 nan 8.190 nan 0.000 0.424 232 D N 4.359 124.927 120.400 0.281 0.000 2.613 232 D HA 0.142 5.152 4.640 0.617 0.000 0.230 232 D C 0.033 176.453 176.300 0.200 0.000 1.365 232 D CA -0.428 53.721 54.000 0.248 0.000 0.976 232 D CB 1.214 42.180 40.800 0.277 0.000 1.415 232 D HN 0.584 nan 8.370 nan 0.000 0.589 233 W N 3.995 125.071 121.300 -0.373 0.000 2.364 233 W HA -0.096 4.854 4.660 0.483 0.000 0.281 233 W C 0.781 177.047 176.519 -0.421 0.000 1.219 233 W CA 1.068 57.910 57.345 -0.838 0.000 1.220 233 W CB -0.166 28.691 29.460 -1.004 0.000 1.127 233 W HN 0.399 nan 8.180 nan 0.000 0.556 234 F N -0.349 119.694 119.950 0.155 0.000 2.664 234 F HA 0.413 5.056 4.527 0.193 0.000 0.303 234 F C 1.597 177.345 175.800 -0.086 0.000 1.092 234 F CA -0.078 57.865 58.000 -0.096 0.000 1.305 234 F CB -0.964 37.959 39.000 -0.128 0.000 1.054 234 F HN -0.245 nan 8.300 nan 0.000 0.565 235 G N -0.565 108.346 108.800 0.185 0.000 2.432 235 G HA2 0.223 4.553 3.960 0.617 0.000 0.257 235 G HA3 0.223 4.553 3.960 0.617 0.000 0.257 235 G C 0.145 175.143 174.900 0.163 0.000 1.238 235 G CA -0.296 44.926 45.100 0.204 0.000 0.838 235 G HN 0.376 nan 8.290 nan 0.000 0.547 236 C N 2.417 121.830 119.300 0.188 0.000 2.688 236 C HA 0.362 5.192 4.460 0.617 0.000 0.297 236 C C 2.550 177.671 174.990 0.219 0.000 1.308 236 C CA 0.039 59.191 59.018 0.224 0.000 1.726 236 C CB -1.130 26.819 27.740 0.348 0.000 1.982 236 C HN 0.869 nan 8.230 nan 0.000 0.604 237 A N -0.477 122.456 122.820 0.188 0.000 1.902 237 A HA -0.181 4.509 4.320 0.617 0.000 0.217 237 A C 1.511 179.114 177.584 0.032 0.000 1.181 237 A CA 1.558 53.682 52.037 0.145 0.000 0.623 237 A CB -0.650 18.454 19.000 0.174 0.000 0.818 237 A HN 0.636 nan 8.150 nan 0.000 0.443 238 C N 0.977 120.316 119.300 0.065 0.000 2.554 238 C HA 0.364 5.194 4.460 0.617 0.000 0.434 238 C C 1.692 176.756 174.990 0.123 0.000 1.316 238 C CA 0.601 59.658 59.018 0.065 0.000 1.671 238 C CB -2.059 25.734 27.740 0.088 0.000 2.172 238 C HN 0.696 nan 8.230 nan 0.000 0.601 239 T N -3.731 110.832 114.554 0.016 0.000 3.262 239 T HA 0.254 4.974 4.350 0.617 0.000 0.300 239 T C 0.108 174.806 174.700 -0.003 0.000 0.959 239 T CA 0.047 62.079 62.100 -0.113 0.000 0.936 239 T CB -0.448 68.326 68.868 -0.156 0.000 1.169 239 T HN 0.286 nan 8.240 nan 0.000 0.532 240 V N 0.157 119.993 119.914 -0.129 0.000 3.211 240 V HA 1.021 5.511 4.120 0.617 0.000 0.319 240 V C -0.283 175.710 176.094 -0.168 0.000 1.096 240 V CA -0.461 61.697 62.300 -0.236 0.000 1.029 240 V CB 1.318 32.719 31.823 -0.704 0.000 1.137 240 V HN 0.826 nan 8.190 nan 0.000 0.453 241 S N -0.579 115.014 115.700 -0.178 0.000 2.597 241 S HA 0.511 5.351 4.470 0.617 0.000 0.274 241 S C -2.622 171.902 174.600 -0.127 0.000 1.132 241 S CA -0.601 57.533 58.200 -0.110 0.000 0.835 241 S CB 1.037 64.265 63.200 0.048 0.000 1.092 241 S HN 0.447 nan 8.310 nan 0.000 0.457 242 P HA -0.104 nan 4.420 nan 0.000 0.216 242 P C 1.631 178.990 177.300 0.100 0.000 1.153 242 P CA 1.223 64.164 63.100 -0.266 0.000 0.858 242 P CB 0.054 31.472 31.700 -0.469 0.000 0.789 243 R N 0.216 120.808 120.500 0.153 0.000 2.062 243 R HA -0.023 4.687 4.340 0.617 0.000 0.231 243 R C 2.168 178.613 176.300 0.242 0.000 1.136 243 R CA 2.069 58.322 56.100 0.256 0.000 0.948 243 R CB -1.614 28.902 30.300 0.360 0.000 0.845 243 R HN 0.046 nan 8.270 nan 0.000 0.430 244 A N 0.386 123.212 122.820 0.010 0.000 1.940 244 A HA -0.119 4.571 4.320 0.617 0.000 0.219 244 A C 2.309 180.013 177.584 0.200 0.000 1.176 244 A CA 1.584 53.546 52.037 -0.125 0.000 0.631 244 A CB -0.663 17.999 19.000 -0.562 0.000 0.814 244 A HN 0.348 nan 8.150 nan 0.000 0.446 245 L N -0.491 120.846 121.223 0.191 0.000 2.017 245 L HA -0.191 4.519 4.340 0.617 0.000 0.208 245 L C 2.150 179.166 176.870 0.242 0.000 1.073 245 L CA 1.533 56.505 54.840 0.220 0.000 0.745 245 L CB -0.673 41.514 42.059 0.213 0.000 0.894 245 L HN 0.312 nan 8.230 nan 0.000 0.432 246 D N -0.092 120.464 120.400 0.260 0.000 2.117 246 D HA -0.174 4.836 4.640 0.617 0.000 0.197 246 D C 1.769 178.187 176.300 0.197 0.000 0.987 246 D CA 1.198 55.333 54.000 0.225 0.000 0.829 246 D CB -0.329 40.615 40.800 0.239 0.000 0.961 246 D HN 0.289 nan 8.370 nan 0.000 0.460 247 D N 0.114 120.658 120.400 0.239 0.000 2.123 247 D HA -0.151 4.859 4.640 0.617 0.000 0.196 247 D C 1.826 178.218 176.300 0.154 0.000 0.992 247 D CA 0.401 54.556 54.000 0.258 0.000 0.833 247 D CB -0.602 40.468 40.800 0.450 0.000 0.954 247 D HN 0.218 nan 8.370 nan 0.000 0.455 248 F N 1.640 121.468 119.950 -0.204 0.000 2.095 248 F HA -0.209 4.688 4.527 0.616 0.000 0.298 248 F C 2.320 178.033 175.800 -0.146 0.000 1.104 248 F CA 1.778 59.495 58.000 -0.472 0.000 1.232 248 F CB 0.007 38.591 39.000 -0.693 0.000 0.987 248 F HN -0.089 nan 8.300 nan 0.000 0.475 249 E N 0.217 120.515 120.200 0.163 0.000 2.085 249 E HA -0.262 4.458 4.350 0.617 0.000 0.194 249 E C 2.176 178.763 176.600 -0.021 0.000 0.994 249 E CA 1.187 57.629 56.400 0.070 0.000 0.801 249 E CB -0.321 29.447 29.700 0.113 0.000 0.743 249 E HN 0.512 nan 8.360 nan 0.000 0.453 250 A N 0.708 123.532 122.820 0.007 0.000 1.929 250 A HA -0.122 4.568 4.320 0.617 0.000 0.216 250 A C 1.977 179.525 177.584 -0.060 0.000 1.176 250 A CA 1.372 53.410 52.037 0.001 0.000 0.628 250 A CB -0.172 18.853 19.000 0.043 0.000 0.816 250 A HN 0.120 nan 8.150 nan 0.000 0.444 251 K N -1.915 118.422 120.400 -0.104 0.000 2.116 251 K HA -0.019 4.671 4.320 0.617 0.000 0.203 251 K C 1.138 177.478 176.600 -0.435 0.000 1.052 251 K CA 1.393 57.550 56.287 -0.216 0.000 0.952 251 K CB -0.150 32.273 32.500 -0.129 0.000 0.729 251 K HN 0.630 nan 8.250 nan 0.000 0.446 252 Y N -0.832 119.186 120.300 -0.471 0.000 2.444 252 Y HA 0.203 5.124 4.550 0.618 0.000 0.249 252 Y C 1.120 176.931 175.900 -0.147 0.000 1.134 252 Y CA 0.141 57.973 58.100 -0.445 0.000 1.261 252 Y CB 1.394 39.230 38.460 -1.039 0.000 1.143 252 Y HN 0.170 nan 8.280 nan 0.000 0.523 253 G N 0.542 109.331 108.800 -0.018 0.000 2.160 253 G HA2 -0.315 4.015 3.960 0.617 0.000 0.244 253 G HA3 -0.315 4.015 3.960 0.617 0.000 0.244 253 G C -0.400 174.653 174.900 0.254 0.000 1.022 253 G CA 0.527 45.687 45.100 0.100 0.000 0.741 253 G HN 0.561 nan 8.290 nan 0.000 0.508 254 Y N -3.224 117.138 120.300 0.103 0.000 2.641 254 Y HA 0.769 5.688 4.550 0.615 0.000 0.333 254 Y C -0.546 175.488 175.900 0.223 0.000 1.174 254 Y CA -1.710 56.474 58.100 0.139 0.000 1.057 254 Y CB 0.786 39.324 38.460 0.130 0.000 1.322 254 Y HN 0.239 nan 8.280 nan 0.000 0.457 255 R N 2.991 123.632 120.500 0.236 0.000 2.229 255 R HA 0.584 5.294 4.340 0.617 0.000 0.328 255 R C -1.399 174.992 176.300 0.152 0.000 1.009 255 R CA -0.525 55.664 56.100 0.149 0.000 0.864 255 R CB 0.657 31.028 30.300 0.119 0.000 1.085 255 R HN 0.883 nan 8.270 nan 0.000 0.453 256 L N 5.194 126.434 121.223 0.029 0.000 2.410 256 L HA 0.257 4.967 4.340 0.617 0.000 0.273 256 L C 0.763 177.628 176.870 -0.008 0.000 1.152 256 L CA -0.018 54.788 54.840 -0.056 0.000 0.855 256 L CB 0.672 42.553 42.059 -0.297 0.000 1.129 256 L HN 0.596 nan 8.230 nan 0.000 0.463 257 R N 3.808 124.282 120.500 -0.043 0.000 2.615 257 R HA 0.137 4.847 4.340 0.617 0.000 0.270 257 R C -1.525 174.655 176.300 -0.201 0.000 1.081 257 R CA -1.467 54.586 56.100 -0.078 0.000 1.154 257 R CB 0.241 30.495 30.300 -0.077 0.000 1.063 257 R HN 0.351 nan 8.270 nan 0.000 0.519 258 P HA -0.175 nan 4.420 nan 0.000 0.219 258 P C 0.707 177.720 177.300 -0.480 0.000 1.146 258 P CA 1.053 63.620 63.100 -0.889 0.000 0.808 258 P CB 0.257 31.411 31.700 -0.911 0.000 0.779 259 E N 0.153 120.177 120.200 -0.294 0.000 2.219 259 E HA -0.203 4.517 4.350 0.617 0.000 0.198 259 E C 1.304 177.754 176.600 -0.249 0.000 0.998 259 E CA 1.283 57.546 56.400 -0.228 0.000 0.818 259 E CB -0.933 28.674 29.700 -0.155 0.000 0.741 259 E HN 0.204 nan 8.360 nan 0.000 0.477 260 D N -1.379 118.838 120.400 -0.304 0.000 2.363 260 D HA -0.074 4.936 4.640 0.617 0.000 0.220 260 D C 0.803 176.695 176.300 -0.680 0.000 0.994 260 D CA 0.580 54.308 54.000 -0.454 0.000 0.890 260 D CB 0.079 40.563 40.800 -0.527 0.000 0.906 260 D HN 0.295 nan 8.370 nan 0.000 0.530 261 F N -0.234 119.507 119.950 -0.348 0.000 2.532 261 F HA -0.043 4.852 4.527 0.614 0.000 0.278 261 F C 2.364 178.000 175.800 -0.273 0.000 0.975 261 F CA 0.033 57.858 58.000 -0.292 0.000 1.292 261 F CB -0.606 38.230 39.000 -0.273 0.000 1.112 261 F HN -0.199 nan 8.300 nan 0.000 0.703 262 V N -1.711 118.087 119.914 -0.193 0.000 2.515 262 V HA -0.113 4.377 4.120 0.617 0.000 0.250 262 V C 0.606 176.433 176.094 -0.445 0.000 1.058 262 V CA 1.306 63.307 62.300 -0.497 0.000 1.064 262 V CB -0.891 30.659 31.823 -0.456 0.000 0.675 262 V HN 0.501 nan 8.190 nan 0.000 0.461 263 D N 0.863 121.100 120.400 -0.271 0.000 2.737 263 D HA -0.074 4.936 4.640 0.617 0.000 0.238 263 D C 1.168 177.368 176.300 -0.166 0.000 1.157 263 D CA 1.475 55.361 54.000 -0.189 0.000 0.694 263 D CB -1.515 39.205 40.800 -0.133 0.000 1.021 263 D HN 1.572 nan 8.370 nan 0.000 0.420 264 G N -0.450 108.250 108.800 -0.168 0.000 2.186 264 G HA2 -0.043 4.287 3.960 0.617 0.000 0.266 264 G HA3 -0.043 4.287 3.960 0.617 0.000 0.266 264 G C 1.478 176.310 174.900 -0.113 0.000 0.982 264 G CA 0.951 45.979 45.100 -0.120 0.000 0.670 264 G HN 1.846 nan 8.290 nan 0.000 0.533 265 G N -1.901 106.781 108.800 -0.197 0.000 2.231 265 G HA2 0.198 4.528 3.960 0.617 0.000 0.206 265 G HA3 0.198 4.528 3.960 0.617 0.000 0.206 265 G C 1.303 176.206 174.900 0.004 0.000 0.996 265 G CA 1.141 46.167 45.100 -0.123 0.000 0.645 265 G HN 1.918 nan 8.290 nan 0.000 0.498 266 A N -0.432 122.374 122.820 -0.023 0.000 2.072 266 A HA 0.490 5.180 4.320 0.617 0.000 0.216 266 A C 1.354 179.083 177.584 0.243 0.000 1.156 266 A CA 1.665 53.771 52.037 0.114 0.000 0.701 266 A CB -0.409 18.635 19.000 0.074 0.000 0.816 266 A HN 1.414 nan 8.150 nan 0.000 0.458 267 Y N -0.974 119.360 120.300 0.057 0.000 3.825 267 Y HA -0.261 4.659 4.550 0.615 0.000 0.221 267 Y C 0.630 176.586 175.900 0.095 0.000 1.195 267 Y CA 0.602 58.747 58.100 0.075 0.000 1.699 267 Y CB -2.533 35.983 38.460 0.094 0.000 1.531 267 Y HN 0.577 nan 8.280 nan 0.000 0.640 268 N N -1.388 117.401 118.700 0.149 0.000 2.735 268 N HA -0.207 4.903 4.740 0.617 0.000 0.248 268 N C 0.284 175.939 175.510 0.243 0.000 1.083 268 N CA 1.195 54.335 53.050 0.151 0.000 0.703 268 N CB -1.041 37.508 38.487 0.102 0.000 1.005 268 N HN 0.610 nan 8.380 nan 0.000 0.550 269 S N -0.542 115.322 115.700 0.273 0.000 2.715 269 S HA 0.080 4.920 4.470 0.617 0.000 0.318 269 S C 1.696 176.543 174.600 0.411 0.000 1.242 269 S CA 0.448 58.857 58.200 0.349 0.000 1.044 269 S CB 0.606 64.002 63.200 0.326 0.000 0.760 269 S HN 0.451 nan 8.310 nan 0.000 0.501 270 A N 4.785 127.893 122.820 0.481 0.000 2.131 270 A HA -0.063 4.627 4.320 0.617 0.000 0.220 270 A C 1.449 179.247 177.584 0.357 0.000 1.158 270 A CA 1.338 53.620 52.037 0.408 0.000 0.665 270 A CB -0.723 18.421 19.000 0.239 0.000 0.795 270 A HN 0.986 nan 8.150 nan 0.000 0.460 271 W N 0.383 121.812 121.300 0.216 0.000 2.584 271 W HA 0.104 5.120 4.660 0.595 0.000 0.264 271 W C 1.030 177.529 176.519 -0.034 0.000 1.264 271 W CA 0.080 57.471 57.345 0.076 0.000 1.306 271 W CB 0.061 29.692 29.460 0.286 0.000 1.110 271 W HN 0.061 nan 8.180 nan 0.000 0.606 272 R N 0.876 121.526 120.500 0.250 0.000 2.643 272 R HA 0.096 4.806 4.340 0.617 0.000 0.270 272 R C -0.128 176.145 176.300 -0.046 0.000 1.061 272 R CA -0.199 55.966 56.100 0.109 0.000 1.107 272 R CB 0.457 30.824 30.300 0.112 0.000 0.999 272 R HN -0.245 nan 8.270 nan 0.000 0.460 273 V N 6.185 126.038 119.914 -0.101 0.000 2.485 273 V HA 0.025 4.515 4.120 0.617 0.000 0.287 273 V C -1.575 174.371 176.094 -0.247 0.000 1.022 273 V CA -0.941 61.228 62.300 -0.219 0.000 1.067 273 V CB 0.547 32.263 31.823 -0.179 0.000 0.967 273 V HN 0.626 nan 8.190 nan 0.000 0.479 274 P HA 0.217 nan 4.420 nan 0.000 0.271 274 P C -0.340 176.801 177.300 -0.264 0.000 1.226 274 P CA -0.080 62.781 63.100 -0.397 0.000 0.765 274 P CB 0.595 31.762 31.700 -0.888 0.000 0.835 275 R N 1.903 122.306 120.500 -0.163 0.000 2.543 275 R HA 0.237 4.947 4.340 0.617 0.000 0.268 275 R C 1.713 177.954 176.300 -0.098 0.000 1.067 275 R CA -0.782 55.239 56.100 -0.132 0.000 1.142 275 R CB 0.825 31.056 30.300 -0.115 0.000 1.110 275 R HN 0.419 nan 8.270 nan 0.000 0.549 276 K N 1.412 121.763 120.400 -0.080 0.000 2.032 276 K HA -0.223 4.467 4.320 0.617 0.000 0.209 276 K C 1.806 178.432 176.600 0.043 0.000 1.048 276 K CA 1.945 58.216 56.287 -0.027 0.000 0.927 276 K CB -0.197 32.275 32.500 -0.047 0.000 0.712 276 K HN 0.695 nan 8.250 nan 0.000 0.441 277 A N 1.141 123.974 122.820 0.021 0.000 1.940 277 A HA -0.244 4.446 4.320 0.617 0.000 0.219 277 A C 2.020 179.581 177.584 -0.039 0.000 1.176 277 A CA 1.698 53.762 52.037 0.045 0.000 0.631 277 A CB -0.511 18.449 19.000 -0.067 0.000 0.814 277 A HN 0.510 nan 8.150 nan 0.000 0.446 278 Q N -0.893 118.873 119.800 -0.056 0.000 2.079 278 Q HA -0.128 4.582 4.340 0.617 0.000 0.200 278 Q C 2.392 178.475 176.000 0.138 0.000 0.974 278 Q CA 1.406 57.216 55.803 0.012 0.000 0.840 278 Q CB -0.159 28.607 28.738 0.046 0.000 0.898 278 Q HN 0.632 nan 8.270 nan 0.000 0.430 279 R N 0.565 121.131 120.500 0.110 0.000 2.075 279 R HA -0.123 4.587 4.340 0.617 0.000 0.232 279 R C 1.716 178.113 176.300 0.162 0.000 1.126 279 R CA 1.351 57.536 56.100 0.142 0.000 0.963 279 R CB -0.156 30.191 30.300 0.078 0.000 0.858 279 R HN 0.278 nan 8.270 nan 0.000 0.435 280 D N -0.009 120.488 120.400 0.162 0.000 2.117 280 D HA -0.232 4.778 4.640 0.617 0.000 0.197 280 D C 1.504 177.898 176.300 0.156 0.000 0.987 280 D CA 0.797 54.868 54.000 0.118 0.000 0.829 280 D CB -0.327 40.573 40.800 0.166 0.000 0.961 280 D HN 0.357 nan 8.370 nan 0.000 0.460 281 W N 1.286 122.582 121.300 -0.008 0.000 2.358 281 W HA -0.181 4.845 4.660 0.610 0.000 0.303 281 W C 1.620 178.227 176.519 0.146 0.000 1.208 281 W CA 0.536 57.889 57.345 0.013 0.000 1.274 281 W CB -0.018 29.341 29.460 -0.168 0.000 1.138 281 W HN -0.104 nan 8.180 nan 0.000 0.515 282 I N 1.402 122.077 120.570 0.175 0.000 2.099 282 I HA -0.330 4.210 4.170 0.617 0.000 0.239 282 I C 2.094 178.238 176.117 0.045 0.000 1.066 282 I CA 1.769 63.118 61.300 0.081 0.000 1.324 282 I CB -1.806 36.271 38.000 0.127 0.000 1.037 282 I HN -0.046 nan 8.210 nan 0.000 0.401 283 D N 0.369 120.842 120.400 0.122 0.000 2.116 283 D HA -0.256 4.754 4.640 0.617 0.000 0.193 283 D C 2.110 178.522 176.300 0.186 0.000 0.998 283 D CA 1.321 55.422 54.000 0.170 0.000 0.836 283 D CB -0.564 40.394 40.800 0.264 0.000 0.951 283 D HN 0.321 nan 8.370 nan 0.000 0.449 284 F N 0.996 120.954 119.950 0.013 0.000 2.075 284 F HA -0.176 4.720 4.527 0.615 0.000 0.297 284 F C 2.184 177.899 175.800 -0.142 0.000 1.113 284 F CA 0.931 58.925 58.000 -0.010 0.000 1.218 284 F CB -0.482 38.457 39.000 -0.102 0.000 0.984 284 F HN -0.116 nan 8.300 nan 0.000 0.472 285 L N 0.199 121.169 121.223 -0.423 0.000 2.017 285 L HA -0.180 4.530 4.340 0.617 0.000 0.208 285 L C 2.922 179.719 176.870 -0.121 0.000 1.073 285 L CA 2.153 56.735 54.840 -0.430 0.000 0.745 285 L CB -1.264 40.528 42.059 -0.445 0.000 0.894 285 L HN 0.424 nan 8.230 nan 0.000 0.432 286 S N -0.795 114.863 115.700 -0.070 0.000 2.356 286 S HA -0.147 4.693 4.470 0.617 0.000 0.223 286 S C 2.198 176.802 174.600 0.007 0.000 1.032 286 S CA 1.313 59.513 58.200 -0.000 0.000 1.005 286 S CB -1.024 62.185 63.200 0.015 0.000 0.867 286 S HN 0.510 nan 8.310 nan 0.000 0.449 287 G N 0.515 109.314 108.800 -0.003 0.000 2.513 287 G HA2 -0.231 4.099 3.960 0.617 0.000 0.219 287 G HA3 -0.231 4.099 3.960 0.617 0.000 0.219 287 G C 1.301 176.195 174.900 -0.010 0.000 1.160 287 G CA 1.118 46.215 45.100 -0.005 0.000 0.767 287 G HN 0.602 nan 8.290 nan 0.000 0.571 288 F N 0.931 120.777 119.950 -0.175 0.000 2.113 288 F HA 0.003 4.899 4.527 0.614 0.000 0.297 288 F C 2.710 178.481 175.800 -0.049 0.000 1.103 288 F CA 1.342 59.259 58.000 -0.138 0.000 1.248 288 F CB -0.369 38.530 39.000 -0.168 0.000 0.999 288 F HN 0.004 nan 8.300 nan 0.000 0.475 289 V N 1.203 121.150 119.914 0.055 0.000 2.295 289 V HA -0.307 4.183 4.120 0.617 0.000 0.246 289 V C 2.577 178.630 176.094 -0.069 0.000 1.049 289 V CA 2.329 64.679 62.300 0.083 0.000 1.024 289 V CB -0.652 31.335 31.823 0.272 0.000 0.648 289 V HN 0.280 nan 8.190 nan 0.000 0.447 290 R N -0.397 120.057 120.500 -0.076 0.000 2.091 290 R HA -0.235 4.475 4.340 0.617 0.000 0.238 290 R C 2.385 178.578 176.300 -0.178 0.000 1.136 290 R CA 1.915 57.942 56.100 -0.122 0.000 0.959 290 R CB -0.383 29.879 30.300 -0.064 0.000 0.856 290 R HN 0.660 nan 8.270 nan 0.000 0.437 291 E N 0.689 120.773 120.200 -0.192 0.000 2.070 291 E HA -0.220 4.500 4.350 0.617 0.000 0.197 291 E C 1.554 178.007 176.600 -0.245 0.000 1.004 291 E CA 1.465 57.735 56.400 -0.216 0.000 0.805 291 E CB 0.039 29.600 29.700 -0.232 0.000 0.744 291 E HN 0.317 nan 8.360 nan 0.000 0.451 292 N N -0.174 118.335 118.700 -0.318 0.000 2.354 292 N HA -0.091 5.019 4.740 0.617 0.000 0.179 292 N C 1.885 177.402 175.510 0.010 0.000 1.021 292 N CA 0.826 53.766 53.050 -0.184 0.000 0.887 292 N CB 0.203 38.349 38.487 -0.569 0.000 0.974 292 N HN 0.085 nan 8.380 nan 0.000 0.437 293 V N 1.917 121.737 119.914 -0.157 0.000 2.343 293 V HA -0.209 4.280 4.120 0.617 0.000 0.247 293 V C 2.521 178.365 176.094 -0.417 0.000 1.051 293 V CA 1.457 63.407 62.300 -0.583 0.000 1.036 293 V CB -0.429 30.834 31.823 -0.935 0.000 0.654 293 V HN 0.286 nan 8.190 nan 0.000 0.451 294 K N -0.206 120.025 120.400 -0.280 0.000 2.063 294 K HA -0.293 4.397 4.320 0.617 0.000 0.208 294 K C 2.287 178.806 176.600 -0.136 0.000 1.048 294 K CA 2.092 58.258 56.287 -0.201 0.000 0.928 294 K CB -0.146 32.257 32.500 -0.162 0.000 0.713 294 K HN 0.523 nan 8.250 nan 0.000 0.442 295 Q N 0.362 120.101 119.800 -0.101 0.000 2.119 295 Q HA -0.104 4.606 4.340 0.617 0.000 0.201 295 Q C 2.131 178.190 176.000 0.098 0.000 0.972 295 Q CA 0.999 56.770 55.803 -0.052 0.000 0.847 295 Q CB 0.059 28.674 28.738 -0.206 0.000 0.903 295 Q HN 0.374 nan 8.270 nan 0.000 0.433 296 L N -0.061 121.217 121.223 0.091 0.000 2.046 296 L HA -0.165 4.545 4.340 0.617 0.000 0.208 296 L C 2.527 179.386 176.870 -0.019 0.000 1.077 296 L CA 0.988 55.821 54.840 -0.012 0.000 0.747 296 L CB -0.582 41.179 42.059 -0.496 0.000 0.896 296 L HN 0.289 nan 8.230 nan 0.000 0.432 297 A N -0.044 122.668 122.820 -0.179 0.000 1.877 297 A HA -0.246 4.444 4.320 0.617 0.000 0.216 297 A C 1.917 179.304 177.584 -0.328 0.000 1.186 297 A CA 2.068 53.944 52.037 -0.268 0.000 0.620 297 A CB -0.575 18.277 19.000 -0.248 0.000 0.822 297 A HN 0.342 nan 8.150 nan 0.000 0.443 298 D N -0.413 119.935 120.400 -0.085 0.000 2.123 298 D HA -0.148 4.862 4.640 0.617 0.000 0.196 298 D C 2.019 178.360 176.300 0.067 0.000 0.992 298 D CA 1.504 55.526 54.000 0.036 0.000 0.833 298 D CB -0.373 40.442 40.800 0.024 0.000 0.954 298 D HN 0.497 nan 8.370 nan 0.000 0.455 299 M N 0.158 119.826 119.600 0.113 0.000 2.159 299 M HA -0.121 4.729 4.480 0.617 0.000 0.263 299 M C 2.280 178.658 176.300 0.130 0.000 1.063 299 M CA 0.919 56.309 55.300 0.152 0.000 1.110 299 M CB -0.023 32.756 32.600 0.298 0.000 1.374 299 M HN -0.126 nan 8.290 nan 0.000 0.411 300 S N -0.608 115.204 115.700 0.187 0.000 2.356 300 S HA -0.162 4.678 4.470 0.617 0.000 0.223 300 S C 1.601 176.261 174.600 0.100 0.000 1.032 300 S CA 1.285 59.578 58.200 0.156 0.000 1.005 300 S CB -0.627 62.683 63.200 0.182 0.000 0.867 300 S HN 0.565 nan 8.310 nan 0.000 0.449 301 H N 1.162 120.302 119.070 0.118 0.000 2.319 301 H HA -0.011 4.915 4.556 0.616 0.000 0.299 301 H C 2.429 177.783 175.328 0.043 0.000 1.092 301 H CA 0.934 57.024 56.048 0.070 0.000 1.302 301 H CB -0.226 29.567 29.762 0.052 0.000 1.373 301 H HN 0.440 nan 8.280 nan 0.000 0.497 302 A N 0.898 123.811 122.820 0.155 0.000 2.084 302 A HA -0.104 4.586 4.320 0.617 0.000 0.221 302 A C 2.223 179.833 177.584 0.043 0.000 1.161 302 A CA 1.448 53.530 52.037 0.076 0.000 0.653 302 A CB -0.547 18.481 19.000 0.047 0.000 0.802 302 A HN 0.491 nan 8.150 nan 0.000 0.457 303 A N -2.098 120.747 122.820 0.041 0.000 2.387 303 A HA 0.463 5.153 4.320 0.617 0.000 0.234 303 A C 1.586 179.184 177.584 0.024 0.000 1.253 303 A CA 0.957 52.996 52.037 0.004 0.000 0.894 303 A CB -0.745 18.229 19.000 -0.044 0.000 0.963 303 A HN 1.836 nan 8.150 nan 0.000 0.508 304 G N -0.144 108.693 108.800 0.063 0.000 2.143 304 G HA2 -0.245 4.085 3.960 0.617 0.000 0.248 304 G HA3 -0.245 4.085 3.960 0.617 0.000 0.248 304 G C 0.040 174.995 174.900 0.091 0.000 0.991 304 G CA 0.610 45.751 45.100 0.068 0.000 0.689 304 G HN 0.579 nan 8.290 nan 0.000 0.522 305 K N 0.209 120.683 120.400 0.123 0.000 2.208 305 K HA 0.509 5.199 4.320 0.617 0.000 0.247 305 K C 0.160 176.883 176.600 0.206 0.000 0.953 305 K CA -0.795 55.572 56.287 0.133 0.000 0.837 305 K CB 1.802 34.367 32.500 0.107 0.000 1.131 305 K HN 0.310 nan 8.250 nan 0.000 0.431 306 E N 0.640 120.945 120.200 0.176 0.000 2.373 306 E HA 0.273 4.993 4.350 0.617 0.000 0.263 306 E C -0.794 175.885 176.600 0.133 0.000 1.073 306 E CA -0.479 56.040 56.400 0.199 0.000 0.894 306 E CB 1.236 31.042 29.700 0.176 0.000 1.008 306 E HN 0.548 nan 8.360 nan 0.000 0.420 307 A N 3.382 126.289 122.820 0.144 0.000 2.304 307 A HA 0.489 5.179 4.320 0.617 0.000 0.314 307 A C -0.703 176.963 177.584 0.136 0.000 1.187 307 A CA -0.535 51.619 52.037 0.195 0.000 0.810 307 A CB 0.575 19.686 19.000 0.184 0.000 1.183 307 A HN 0.630 nan 8.150 nan 0.000 0.487 308 M N 4.203 123.875 119.600 0.119 0.000 2.321 308 M HA 0.640 5.490 4.480 0.617 0.000 0.315 308 M C -1.151 175.214 176.300 0.108 0.000 1.052 308 M CA -0.573 54.736 55.300 0.014 0.000 0.936 308 M CB 1.612 34.124 32.600 -0.147 0.000 1.639 308 M HN 0.803 nan 8.290 nan 0.000 0.433 309 M N 5.135 124.797 119.600 0.104 0.000 2.167 309 M HA 0.387 5.237 4.480 0.617 0.000 0.333 309 M C -1.752 174.602 176.300 0.090 0.000 1.030 309 M CA -0.668 54.688 55.300 0.092 0.000 0.963 309 M CB 1.200 33.962 32.600 0.270 0.000 1.589 309 M HN 0.798 nan 8.290 nan 0.000 0.431 310 F N 5.910 125.801 119.950 -0.098 0.000 2.504 310 F HA 0.280 5.190 4.527 0.638 0.000 0.369 310 F C -0.875 174.884 175.800 -0.067 0.000 1.082 310 F CA -0.480 57.473 58.000 -0.077 0.000 1.216 310 F CB 0.581 39.530 39.000 -0.084 0.000 1.108 310 F HN 0.582 nan 8.300 nan 0.000 0.554 311 L N 7.464 128.224 121.223 -0.773 0.000 2.401 311 L HA 0.585 5.295 4.340 0.617 0.000 0.283 311 L C 0.084 176.168 176.870 -1.309 0.000 1.151 311 L CA 0.716 55.069 54.840 -0.812 0.000 0.942 311 L CB -0.675 41.080 42.059 -0.507 0.000 1.283 311 L HN 0.854 nan 8.230 nan 0.000 0.442 312 G N 2.020 110.131 108.800 -1.148 0.000 2.356 312 G HA2 0.222 4.552 3.960 0.617 0.000 0.288 312 G HA3 0.222 4.552 3.960 0.617 0.000 0.288 312 G C -0.731 174.227 174.900 0.096 0.000 1.302 312 G CA -0.213 44.457 45.100 -0.717 0.000 0.887 312 G HN 0.411 nan 8.290 nan 0.000 0.521 313 D N -0.739 119.999 120.400 0.564 0.000 3.899 313 D HA -0.209 4.801 4.640 0.617 0.000 0.146 313 D C 1.218 177.772 176.300 0.422 0.000 0.820 313 D CA 2.121 56.408 54.000 0.479 0.000 1.056 313 D CB -0.724 40.294 40.800 0.364 0.000 0.474 313 D HN 0.670 nan 8.370 nan 0.000 0.457 314 Q N 1.080 121.034 119.800 0.256 0.000 3.179 314 Q HA 0.144 4.854 4.340 0.617 0.000 0.328 314 Q C 0.678 176.837 176.000 0.266 0.000 1.336 314 Q CA -0.118 55.805 55.803 0.200 0.000 0.939 314 Q CB -0.646 28.138 28.738 0.077 0.000 1.658 314 Q HN 0.542 nan 8.270 nan 0.000 0.486 315 W N -0.555 120.777 121.300 0.054 0.000 3.278 315 W HA 0.276 5.288 4.660 0.585 0.000 0.308 315 W C -0.871 175.681 176.519 0.055 0.000 1.253 315 W CA -0.585 56.776 57.345 0.027 0.000 1.759 315 W CB 0.060 29.442 29.460 -0.130 0.000 1.093 315 W HN 0.029 nan 8.180 nan 0.000 0.648 316 I N 2.600 123.033 120.570 -0.229 0.000 2.598 316 I HA 0.213 4.753 4.170 0.617 0.000 0.284 316 I C 1.652 177.735 176.117 -0.056 0.000 1.140 316 I CA 1.474 62.580 61.300 -0.324 0.000 1.420 316 I CB -0.252 37.686 38.000 -0.103 0.000 1.387 316 I HN 0.437 nan 8.210 nan 0.000 0.553 317 G N 4.551 113.260 108.800 -0.152 0.000 2.176 317 G HA2 -0.320 4.010 3.960 0.617 0.000 0.232 317 G HA3 -0.320 4.010 3.960 0.617 0.000 0.232 317 G C 0.885 175.794 174.900 0.015 0.000 0.986 317 G CA 0.592 45.676 45.100 -0.026 0.000 0.643 317 G HN 0.643 nan 8.290 nan 0.000 0.522 318 T N -1.538 113.029 114.554 0.023 0.000 2.896 318 T HA 0.268 4.988 4.350 0.617 0.000 0.263 318 T C 0.846 175.626 174.700 0.133 0.000 1.050 318 T CA 1.219 63.404 62.100 0.143 0.000 1.140 318 T CB -0.092 68.948 68.868 0.286 0.000 0.877 318 T HN 0.772 nan 8.240 nan 0.000 0.457 319 E N 1.307 121.498 120.200 -0.015 0.000 2.291 319 E HA -0.116 4.604 4.350 0.617 0.000 0.181 319 E C -1.994 174.481 176.600 -0.209 0.000 1.480 319 E CA 0.483 56.846 56.400 -0.062 0.000 0.674 319 E CB -1.542 28.150 29.700 -0.014 0.000 1.108 319 E HN 0.424 nan 8.360 nan 0.000 0.357 320 P HA -0.172 nan 4.420 nan 0.000 0.218 320 P C 0.968 177.716 177.300 -0.919 0.000 1.146 320 P CA 1.375 63.610 63.100 -1.443 0.000 0.813 320 P CB -0.011 31.100 31.700 -0.982 0.000 0.778 321 Y N -1.309 118.825 120.300 -0.276 0.000 2.457 321 Y HA 0.166 5.085 4.550 0.615 0.000 0.263 321 Y C 0.994 176.864 175.900 -0.049 0.000 1.164 321 Y CA -0.022 58.003 58.100 -0.125 0.000 1.274 321 Y CB -0.100 38.304 38.460 -0.094 0.000 1.097 321 Y HN -0.187 nan 8.280 nan 0.000 0.523 322 K N 1.133 121.573 120.400 0.066 0.000 2.144 322 K HA 0.087 4.777 4.320 0.617 0.000 0.270 322 K C -0.522 176.142 176.600 0.107 0.000 1.005 322 K CA -0.785 55.555 56.287 0.088 0.000 0.932 322 K CB 0.572 33.118 32.500 0.077 0.000 1.021 322 K HN -0.004 nan 8.250 nan 0.000 0.462 323 D N 0.733 121.192 120.400 0.098 0.000 2.629 323 D HA -0.049 4.961 4.640 0.617 0.000 0.228 323 D C 1.245 177.605 176.300 0.100 0.000 1.127 323 D CA 1.583 55.638 54.000 0.093 0.000 0.855 323 D CB 0.612 41.455 40.800 0.071 0.000 1.180 323 D HN 0.860 nan 8.370 nan 0.000 0.484 324 G N 1.575 110.433 108.800 0.097 0.000 2.176 324 G HA2 -0.356 3.974 3.960 0.617 0.000 0.232 324 G HA3 -0.356 3.974 3.960 0.617 0.000 0.232 324 G C 0.791 175.747 174.900 0.092 0.000 0.986 324 G CA 0.214 45.358 45.100 0.073 0.000 0.643 324 G HN 0.474 nan 8.290 nan 0.000 0.522 325 F N 2.929 122.870 119.950 -0.014 0.000 2.171 325 F HA -0.035 4.872 4.527 0.634 0.000 0.300 325 F C 2.463 178.245 175.800 -0.029 0.000 1.090 325 F CA 2.311 60.293 58.000 -0.030 0.000 1.293 325 F CB -0.029 38.946 39.000 -0.041 0.000 1.013 325 F HN 0.331 nan 8.300 nan 0.000 0.486 326 D N -0.022 120.380 120.400 0.003 0.000 2.149 326 D HA -0.259 4.751 4.640 0.617 0.000 0.198 326 D C 1.652 177.881 176.300 -0.120 0.000 0.990 326 D CA 1.673 55.631 54.000 -0.070 0.000 0.839 326 D CB -1.150 39.657 40.800 0.013 0.000 0.948 326 D HN 0.467 nan 8.370 nan 0.000 0.460 327 E N 0.147 120.294 120.200 -0.088 0.000 2.267 327 E HA -0.088 4.632 4.350 0.617 0.000 0.197 327 E C 2.243 178.766 176.600 -0.128 0.000 0.998 327 E CA 0.371 56.721 56.400 -0.083 0.000 0.830 327 E CB -0.186 29.481 29.700 -0.055 0.000 0.751 327 E HN 0.398 nan 8.360 nan 0.000 0.491 328 L N -0.561 120.527 121.223 -0.225 0.000 2.201 328 L HA -0.050 4.660 4.340 0.617 0.000 0.212 328 L C 1.741 178.504 176.870 -0.179 0.000 1.105 328 L CA 0.744 55.425 54.840 -0.265 0.000 0.775 328 L CB -0.616 41.168 42.059 -0.458 0.000 0.913 328 L HN 0.338 nan 8.230 nan 0.000 0.440 329 G N 0.655 109.371 108.800 -0.140 0.000 2.179 329 G HA2 -0.298 4.032 3.960 0.617 0.000 0.257 329 G HA3 -0.298 4.032 3.960 0.617 0.000 0.257 329 G C 0.247 175.178 174.900 0.052 0.000 1.010 329 G CA -0.121 44.976 45.100 -0.005 0.000 0.736 329 G HN 0.244 nan 8.290 nan 0.000 0.513 330 L N 0.394 121.544 121.223 -0.121 0.000 2.525 330 L HA 0.126 4.836 4.340 0.617 0.000 0.278 330 L C 1.462 178.320 176.870 -0.019 0.000 1.218 330 L CA 0.056 54.849 54.840 -0.078 0.000 0.878 330 L CB 0.385 42.337 42.059 -0.177 0.000 1.127 330 L HN 0.153 nan 8.230 nan 0.000 0.492 331 D N 2.232 122.651 120.400 0.031 0.000 2.213 331 D HA 0.109 5.119 4.640 0.617 0.000 0.205 331 D C 0.427 176.562 176.300 -0.275 0.000 0.961 331 D CA 0.909 54.902 54.000 -0.012 0.000 0.853 331 D CB 0.544 41.406 40.800 0.104 0.000 0.967 331 D HN 0.590 nan 8.370 nan 0.000 0.496 332 A N 0.164 122.797 122.820 -0.312 0.000 2.604 332 A HA 0.505 5.195 4.320 0.617 0.000 0.295 332 A C -1.269 176.217 177.584 -0.164 0.000 1.067 332 A CA -0.584 51.157 52.037 -0.493 0.000 0.683 332 A CB 1.728 20.042 19.000 -1.142 0.000 1.281 332 A HN -0.096 nan 8.150 nan 0.000 0.407 333 V N 1.136 121.000 119.914 -0.084 0.000 2.459 333 V HA 0.665 5.154 4.120 0.617 0.000 0.295 333 V C -0.266 175.841 176.094 0.022 0.000 1.029 333 V CA -0.611 61.697 62.300 0.013 0.000 0.874 333 V CB 1.491 33.341 31.823 0.046 0.000 0.985 333 V HN 0.986 nan 8.190 nan 0.000 0.438 334 V N 4.298 124.249 119.914 0.062 0.000 2.555 334 V HA 1.011 5.501 4.120 0.617 0.000 0.302 334 V C 0.244 176.407 176.094 0.114 0.000 1.038 334 V CA 0.421 62.794 62.300 0.123 0.000 0.887 334 V CB 1.603 33.537 31.823 0.184 0.000 0.991 334 V HN 1.030 nan 8.190 nan 0.000 0.434 335 G N 3.209 112.055 108.800 0.076 0.000 2.725 335 G HA2 0.559 4.888 3.960 0.617 0.000 0.288 335 G HA3 0.559 4.888 3.960 0.617 0.000 0.288 335 G C -1.060 173.870 174.900 0.049 0.000 1.399 335 G CA -0.618 44.481 45.100 -0.001 0.000 0.859 335 G HN 0.827 nan 8.290 nan 0.000 0.479 336 S N 0.646 116.359 115.700 0.022 0.000 2.474 336 S HA 0.337 5.177 4.470 0.617 0.000 0.276 336 S C 0.257 174.813 174.600 -0.074 0.000 1.227 336 S CA -0.491 57.708 58.200 -0.002 0.000 1.050 336 S CB 0.924 64.135 63.200 0.018 0.000 0.939 336 S HN 0.378 nan 8.310 nan 0.000 0.490 337 I N 3.864 124.308 120.570 -0.210 0.000 2.347 337 I HA 0.186 4.726 4.170 0.617 0.000 0.294 337 I C 1.298 177.311 176.117 -0.174 0.000 1.090 337 I CA 0.185 61.297 61.300 -0.313 0.000 1.314 337 I CB -0.077 37.455 38.000 -0.780 0.000 1.423 337 I HN 0.902 nan 8.210 nan 0.000 0.503 338 G N 5.478 114.199 108.800 -0.133 0.000 2.748 338 G HA2 0.170 4.500 3.960 0.617 0.000 0.204 338 G HA3 0.170 4.500 3.960 0.617 0.000 0.204 338 G C 0.042 174.881 174.900 -0.102 0.000 1.095 338 G CA 0.214 45.251 45.100 -0.104 0.000 0.775 338 G HN 0.631 nan 8.290 nan 0.000 0.531 339 D N -2.967 117.352 120.400 -0.134 0.000 2.992 339 D HA 0.305 5.315 4.640 0.617 0.000 0.349 339 D C 1.280 177.468 176.300 -0.186 0.000 1.393 339 D CA 0.135 54.056 54.000 -0.132 0.000 0.887 339 D CB 0.171 40.914 40.800 -0.095 0.000 1.447 339 D HN -0.016 nan 8.370 nan 0.000 0.524 340 G N -0.908 107.751 108.800 -0.235 0.000 2.403 340 G HA2 -0.121 4.209 3.960 0.617 0.000 0.216 340 G HA3 -0.121 4.209 3.960 0.617 0.000 0.216 340 G C 1.129 175.819 174.900 -0.350 0.000 1.154 340 G CA 1.559 46.488 45.100 -0.285 0.000 0.784 340 G HN 0.486 nan 8.290 nan 0.000 0.538 341 T N 1.315 115.682 114.554 -0.311 0.000 2.708 341 T HA -0.155 4.565 4.350 0.617 0.000 0.266 341 T C 2.835 177.394 174.700 -0.234 0.000 1.037 341 T CA 2.195 64.124 62.100 -0.285 0.000 1.146 341 T CB -0.666 68.042 68.868 -0.266 0.000 0.865 341 T HN 0.552 nan 8.240 nan 0.000 0.435 342 T N 0.262 114.697 114.554 -0.198 0.000 2.915 342 T HA -0.095 4.625 4.350 0.617 0.000 0.269 342 T C 2.037 176.643 174.700 -0.157 0.000 1.071 342 T CA 1.493 63.484 62.100 -0.181 0.000 1.132 342 T CB -0.924 67.768 68.868 -0.294 0.000 0.878 342 T HN 0.275 nan 8.240 nan 0.000 0.479 343 T N 1.690 116.115 114.554 -0.215 0.000 2.777 343 T HA -0.017 4.703 4.350 0.617 0.000 0.266 343 T C 2.217 176.785 174.700 -0.220 0.000 1.040 343 T CA 0.799 62.778 62.100 -0.202 0.000 1.141 343 T CB -0.150 68.596 68.868 -0.202 0.000 0.868 343 T HN 0.262 nan 8.240 nan 0.000 0.444 344 R N 0.829 121.079 120.500 -0.417 0.000 2.075 344 R HA 0.161 4.871 4.340 0.617 0.000 0.232 344 R C 2.464 178.587 176.300 -0.295 0.000 1.126 344 R CA 0.912 56.639 56.100 -0.622 0.000 0.963 344 R CB -0.870 28.399 30.300 -1.719 0.000 0.858 344 R HN 0.459 nan 8.270 nan 0.000 0.435 345 M N 0.109 119.631 119.600 -0.130 0.000 2.103 345 M HA -0.255 4.595 4.480 0.617 0.000 0.255 345 M C 2.232 178.640 176.300 0.179 0.000 1.074 345 M CA 1.922 57.319 55.300 0.162 0.000 1.090 345 M CB -0.481 32.219 32.600 0.166 0.000 1.325 345 M HN 0.048 nan 8.290 nan 0.000 0.403 346 I N -0.582 120.017 120.570 0.048 0.000 2.193 346 I HA -0.198 4.342 4.170 0.617 0.000 0.240 346 I C 2.664 178.818 176.117 0.063 0.000 1.084 346 I CA 1.180 62.500 61.300 0.033 0.000 1.365 346 I CB -0.603 37.399 38.000 0.004 0.000 1.064 346 I HN 0.247 nan 8.210 nan 0.000 0.410 347 A N 0.315 123.165 122.820 0.050 0.000 1.933 347 A HA -0.230 4.460 4.320 0.617 0.000 0.218 347 A C 1.699 179.357 177.584 0.122 0.000 1.175 347 A CA 2.147 54.231 52.037 0.078 0.000 0.628 347 A CB -0.584 18.436 19.000 0.032 0.000 0.814 347 A HN 0.368 nan 8.150 nan 0.000 0.444 348 D N -0.578 119.935 120.400 0.190 0.000 2.340 348 D HA 0.164 5.174 4.640 0.617 0.000 0.220 348 D C 0.269 176.719 176.300 0.251 0.000 1.039 348 D CA 0.011 54.196 54.000 0.308 0.000 0.866 348 D CB -0.146 40.964 40.800 0.515 0.000 0.913 348 D HN 0.463 nan 8.370 nan 0.000 0.523 349 I N 3.308 123.888 120.570 0.018 0.000 2.598 349 I HA 0.068 4.608 4.170 0.617 0.000 0.284 349 I C -1.747 174.324 176.117 -0.077 0.000 1.140 349 I CA -1.211 59.896 61.300 -0.322 0.000 1.420 349 I CB 0.394 38.179 38.000 -0.358 0.000 1.387 349 I HN -0.135 nan 8.210 nan 0.000 0.553 350 P HA 0.283 nan 4.420 nan 0.000 0.283 350 P C 0.396 177.786 177.300 0.150 0.000 1.278 350 P CA -0.251 62.891 63.100 0.069 0.000 0.834 350 P CB 1.409 33.159 31.700 0.084 0.000 1.150 351 G N -1.108 107.769 108.800 0.128 0.000 2.136 351 G HA2 -0.108 4.222 3.960 0.617 0.000 0.242 351 G HA3 -0.108 4.222 3.960 0.617 0.000 0.242 351 G C -0.071 174.870 174.900 0.068 0.000 0.989 351 G CA 0.186 45.353 45.100 0.112 0.000 0.682 351 G HN 0.762 nan 8.290 nan 0.000 0.522 352 V N -4.087 115.880 119.914 0.089 0.000 3.046 352 V HA 0.907 5.397 4.120 0.617 0.000 0.316 352 V C 1.121 177.249 176.094 0.058 0.000 1.104 352 V CA -0.558 61.767 62.300 0.040 0.000 1.006 352 V CB 1.713 33.562 31.823 0.042 0.000 1.058 352 V HN -0.040 nan 8.190 nan 0.000 0.440 353 K N 0.823 121.254 120.400 0.052 0.000 2.167 353 K HA 0.252 4.942 4.320 0.617 0.000 0.203 353 K C 0.059 176.820 176.600 0.267 0.000 1.052 353 K CA 1.769 58.148 56.287 0.153 0.000 0.956 353 K CB -0.192 32.437 32.500 0.215 0.000 0.735 353 K HN 0.900 nan 8.250 nan 0.000 0.451 354 Y N -3.118 117.240 120.300 0.097 0.000 2.689 354 Y HA 0.564 5.485 4.550 0.618 0.000 0.333 354 Y C -1.025 174.950 175.900 0.125 0.000 1.208 354 Y CA -1.545 56.622 58.100 0.112 0.000 1.055 354 Y CB 0.946 39.469 38.460 0.106 0.000 1.304 354 Y HN -0.116 nan 8.280 nan 0.000 0.455 355 T N -1.101 113.644 114.554 0.318 0.000 2.903 355 T HA 0.676 5.396 4.350 0.617 0.000 0.299 355 T C -1.424 173.467 174.700 0.319 0.000 1.093 355 T CA -0.693 61.533 62.100 0.211 0.000 1.002 355 T CB 2.379 71.351 68.868 0.173 0.000 1.127 355 T HN 0.989 nan 8.240 nan 0.000 0.488 356 E N 0.453 120.796 120.200 0.239 0.000 2.290 356 E HA 0.587 5.306 4.350 0.617 0.000 0.274 356 E C -0.521 176.181 176.600 0.170 0.000 0.889 356 E CA -0.937 55.612 56.400 0.248 0.000 0.760 356 E CB 1.568 31.433 29.700 0.276 0.000 1.206 356 E HN 1.041 nan 8.360 nan 0.000 0.419 357 G N 3.083 111.995 108.800 0.186 0.000 2.371 357 G HA2 0.326 4.656 3.960 0.617 0.000 0.326 357 G HA3 0.326 4.656 3.960 0.617 0.000 0.326 357 G C -0.769 174.156 174.900 0.040 0.000 1.127 357 G CA -0.622 44.508 45.100 0.050 0.000 0.885 357 G HN 0.316 nan 8.290 nan 0.000 0.477 358 R N 2.493 122.956 120.500 -0.061 0.000 2.198 358 R HA 0.320 5.030 4.340 0.617 0.000 0.339 358 R C -0.998 175.217 176.300 -0.140 0.000 1.020 358 R CA -0.478 55.583 56.100 -0.066 0.000 0.864 358 R CB 0.208 30.498 30.300 -0.017 0.000 1.105 358 R HN 0.402 nan 8.270 nan 0.000 0.463 359 F N 3.104 122.857 119.950 -0.327 0.000 2.380 359 F HA 0.402 5.308 4.527 0.632 0.000 0.319 359 F C 0.812 176.647 175.800 0.058 0.000 1.113 359 F CA -0.645 57.243 58.000 -0.186 0.000 1.056 359 F CB 0.949 39.740 39.000 -0.350 0.000 1.289 359 F HN 0.156 nan 8.300 nan 0.000 0.515 360 L N 2.343 123.815 121.223 0.416 0.000 2.334 360 L HA 0.485 5.195 4.340 0.617 0.000 0.270 360 L C -2.324 174.920 176.870 0.623 0.000 1.018 360 L CA -2.046 53.058 54.840 0.440 0.000 0.811 360 L CB 1.722 43.948 42.059 0.278 0.000 1.271 360 L HN 0.285 nan 8.230 nan 0.000 0.443 361 P HA 0.034 nan 4.420 nan 0.000 0.277 361 P C -1.169 176.450 177.300 0.531 0.000 1.240 361 P CA -0.366 63.017 63.100 0.471 0.000 0.798 361 P CB 0.565 32.483 31.700 0.363 0.000 0.979 362 Y N 2.180 122.641 120.300 0.267 0.000 2.620 362 Y HA 0.058 4.980 4.550 0.620 0.000 0.330 362 Y C 0.266 176.387 175.900 0.368 0.000 1.186 362 Y CA -0.014 58.184 58.100 0.162 0.000 1.467 362 Y CB -0.283 38.217 38.460 0.066 0.000 1.262 362 Y HN 0.143 nan 8.280 nan 0.000 0.550 363 F N 7.965 127.746 119.950 -0.281 0.000 2.662 363 F HA 0.144 5.042 4.527 0.620 0.000 0.343 363 F C -0.391 175.351 175.800 -0.097 0.000 1.302 363 F CA -0.482 57.235 58.000 -0.471 0.000 1.142 363 F CB -1.655 36.994 39.000 -0.584 0.000 1.524 363 F HN 0.251 nan 8.300 nan 0.000 0.668 364 F N 4.211 124.283 119.950 0.203 0.000 2.603 364 F HA 0.493 5.394 4.527 0.622 0.000 0.317 364 F C -1.740 174.255 175.800 0.326 0.000 1.066 364 F CA -2.602 55.588 58.000 0.317 0.000 0.941 364 F CB 2.275 41.528 39.000 0.422 0.000 1.291 364 F HN -0.110 nan 8.300 nan 0.000 0.472 365 P HA -0.124 nan 4.420 nan 0.000 0.225 365 P C 0.723 178.185 177.300 0.270 0.000 1.148 365 P CA 1.373 64.539 63.100 0.110 0.000 0.779 365 P CB -0.083 31.560 31.700 -0.095 0.000 0.780 366 D N 0.203 120.819 120.400 0.359 0.000 2.178 366 D HA -0.147 4.863 4.640 0.617 0.000 0.201 366 D C 1.633 178.168 176.300 0.391 0.000 0.980 366 D CA 2.207 56.400 54.000 0.321 0.000 0.842 366 D CB -1.286 39.722 40.800 0.347 0.000 0.948 366 D HN 0.279 nan 8.370 nan 0.000 0.472 367 T N -3.514 111.270 114.554 0.383 0.000 2.978 367 T HA 0.184 4.904 4.350 0.617 0.000 0.248 367 T C 0.480 175.049 174.700 -0.220 0.000 1.018 367 T CA -0.559 61.632 62.100 0.150 0.000 1.026 367 T CB -0.669 68.204 68.868 0.008 0.000 1.032 367 T HN 0.010 nan 8.240 nan 0.000 0.485 368 F N 3.790 123.682 119.950 -0.096 0.000 2.541 368 F HA 0.445 5.341 4.527 0.614 0.000 0.351 368 F C -0.492 175.350 175.800 0.070 0.000 1.209 368 F CA -1.391 56.363 58.000 -0.410 0.000 1.277 368 F CB -0.146 38.574 39.000 -0.468 0.000 1.632 368 F HN 0.335 nan 8.300 nan 0.000 0.619 369 Y N -0.897 119.491 120.300 0.147 0.000 2.524 369 Y HA 0.501 5.420 4.550 0.615 0.000 0.347 369 Y C -0.325 175.763 175.900 0.313 0.000 1.005 369 Y CA -2.334 55.920 58.100 0.258 0.000 1.025 369 Y CB 0.579 39.110 38.460 0.118 0.000 1.275 369 Y HN 0.318 nan 8.280 nan 0.000 0.460 370 E N 2.240 122.646 120.200 0.342 0.000 2.529 370 E HA 0.355 5.075 4.350 0.617 0.000 0.259 370 E C 1.115 177.789 176.600 0.124 0.000 0.966 370 E CA 1.515 58.008 56.400 0.155 0.000 0.937 370 E CB -0.048 29.698 29.700 0.077 0.000 0.923 370 E HN 1.321 nan 8.360 nan 0.000 0.468 371 G N 3.283 112.108 108.800 0.041 0.000 2.194 371 G HA2 -0.297 4.033 3.960 0.617 0.000 0.236 371 G HA3 -0.297 4.033 3.960 0.617 0.000 0.236 371 G C 0.039 174.892 174.900 -0.078 0.000 0.987 371 G CA 0.129 45.240 45.100 0.019 0.000 0.635 371 G HN 0.730 nan 8.290 nan 0.000 0.520 372 N N 0.602 119.138 118.700 -0.274 0.000 2.417 372 N HA 0.522 5.632 4.740 0.617 0.000 0.300 372 N C -1.535 173.830 175.510 -0.242 0.000 1.102 372 N CA -0.645 52.158 53.050 -0.411 0.000 0.886 372 N CB 1.591 39.460 38.487 -1.029 0.000 1.203 372 N HN 0.024 nan 8.380 nan 0.000 0.496 373 D N 2.638 122.923 120.400 -0.192 0.000 2.473 373 D HA 0.371 5.381 4.640 0.617 0.000 0.226 373 D C -1.984 174.201 176.300 -0.192 0.000 1.089 373 D CA -2.066 51.866 54.000 -0.113 0.000 0.883 373 D CB 1.350 42.133 40.800 -0.028 0.000 1.029 373 D HN 0.383 nan 8.370 nan 0.000 0.517 374 P HA -0.042 nan 4.420 nan 0.000 0.231 374 P C 1.235 178.530 177.300 -0.008 0.000 1.168 374 P CA 0.473 63.250 63.100 -0.538 0.000 0.779 374 P CB 0.244 30.989 31.700 -1.592 0.000 0.844 375 S N -0.991 114.830 115.700 0.203 0.000 2.453 375 S HA -0.079 4.761 4.470 0.617 0.000 0.231 375 S C 1.854 176.557 174.600 0.172 0.000 1.005 375 S CA 0.530 58.908 58.200 0.296 0.000 0.949 375 S CB -1.147 62.173 63.200 0.201 0.000 0.774 375 S HN -0.095 nan 8.310 nan 0.000 0.510 376 I N 2.464 123.094 120.570 0.100 0.000 2.099 376 I HA -0.150 4.390 4.170 0.617 0.000 0.239 376 I C 2.864 179.055 176.117 0.122 0.000 1.066 376 I CA 1.654 63.007 61.300 0.088 0.000 1.324 376 I CB -1.488 36.538 38.000 0.044 0.000 1.037 376 I HN 0.472 nan 8.210 nan 0.000 0.401 377 E N 0.752 121.018 120.200 0.109 0.000 2.085 377 E HA -0.186 4.534 4.350 0.617 0.000 0.194 377 E C 2.277 179.026 176.600 0.249 0.000 0.994 377 E CA 1.369 57.856 56.400 0.145 0.000 0.801 377 E CB -0.189 29.571 29.700 0.100 0.000 0.743 377 E HN 0.540 nan 8.360 nan 0.000 0.453 378 G N 1.182 110.179 108.800 0.329 0.000 2.433 378 G HA2 -0.244 4.086 3.960 0.617 0.000 0.216 378 G HA3 -0.244 4.086 3.960 0.617 0.000 0.216 378 G C 1.602 176.727 174.900 0.375 0.000 1.186 378 G CA 0.593 45.949 45.100 0.428 0.000 0.779 378 G HN 0.179 nan 8.290 nan 0.000 0.543 379 L N 0.394 121.795 121.223 0.297 0.000 2.083 379 L HA -0.055 4.655 4.340 0.617 0.000 0.209 379 L C 2.560 179.601 176.870 0.284 0.000 1.083 379 L CA 0.978 56.010 54.840 0.319 0.000 0.752 379 L CB -0.399 41.801 42.059 0.235 0.000 0.899 379 L HN 0.096 nan 8.230 nan 0.000 0.433 380 D N -0.049 120.484 120.400 0.221 0.000 2.103 380 D HA -0.245 4.765 4.640 0.617 0.000 0.190 380 D C 1.917 178.333 176.300 0.194 0.000 0.997 380 D CA 1.382 55.485 54.000 0.172 0.000 0.833 380 D CB -0.418 40.466 40.800 0.141 0.000 0.961 380 D HN 0.283 nan 8.370 nan 0.000 0.447 381 N N -0.122 118.735 118.700 0.261 0.000 2.084 381 N HA -0.165 4.945 4.740 0.617 0.000 0.190 381 N C 2.022 177.772 175.510 0.399 0.000 1.030 381 N CA 0.957 54.180 53.050 0.289 0.000 0.849 381 N CB -0.272 38.426 38.487 0.352 0.000 1.012 381 N HN 0.391 nan 8.380 nan 0.000 0.423 382 W N 2.110 123.599 121.300 0.315 0.000 2.338 382 W HA -0.193 4.837 4.660 0.616 0.000 0.304 382 W C 1.991 178.647 176.519 0.227 0.000 1.212 382 W CA 0.958 58.488 57.345 0.309 0.000 1.264 382 W CB -0.173 29.410 29.460 0.204 0.000 1.142 382 W HN 0.132 nan 8.180 nan 0.000 0.512 383 R N 0.354 120.800 120.500 -0.090 0.000 2.081 383 R HA -0.166 4.544 4.340 0.617 0.000 0.235 383 R C 2.291 178.472 176.300 -0.197 0.000 1.131 383 R CA 1.745 57.702 56.100 -0.238 0.000 0.960 383 R CB -0.521 29.752 30.300 -0.045 0.000 0.856 383 R HN 0.095 nan 8.270 nan 0.000 0.436 384 K N 0.091 120.447 120.400 -0.074 0.000 2.097 384 K HA -0.099 4.591 4.320 0.617 0.000 0.206 384 K C 1.950 178.468 176.600 -0.137 0.000 1.049 384 K CA 1.489 57.726 56.287 -0.084 0.000 0.933 384 K CB 0.007 32.483 32.500 -0.041 0.000 0.717 384 K HN 0.168 nan 8.250 nan 0.000 0.442 385 A N 0.570 123.324 122.820 -0.110 0.000 1.984 385 A HA -0.041 4.649 4.320 0.617 0.000 0.214 385 A C 1.974 179.451 177.584 -0.179 0.000 1.173 385 A CA 0.704 52.691 52.037 -0.083 0.000 0.673 385 A CB -0.243 18.834 19.000 0.128 0.000 0.830 385 A HN 0.183 nan 8.150 nan 0.000 0.453 386 R N 0.752 120.959 120.500 -0.490 0.000 2.092 386 R HA -0.160 4.550 4.340 0.617 0.000 0.231 386 R C 2.342 178.451 176.300 -0.318 0.000 1.119 386 R CA 1.547 57.246 56.100 -0.667 0.000 0.970 386 R CB -0.315 29.155 30.300 -1.383 0.000 0.864 386 R HN 0.645 nan 8.270 nan 0.000 0.440 387 R N -0.135 120.208 120.500 -0.263 0.000 2.120 387 R HA -0.028 4.682 4.340 0.617 0.000 0.234 387 R C 1.996 178.216 176.300 -0.133 0.000 1.123 387 R CA 1.415 57.418 56.100 -0.161 0.000 0.975 387 R CB -0.490 29.740 30.300 -0.117 0.000 0.866 387 R HN 0.183 nan 8.270 nan 0.000 0.446 388 A N 1.643 124.368 122.820 -0.158 0.000 1.898 388 A HA 0.035 4.725 4.320 0.617 0.000 0.214 388 A C 2.208 179.729 177.584 -0.105 0.000 1.183 388 A CA 0.879 52.815 52.037 -0.168 0.000 0.622 388 A CB -0.334 18.521 19.000 -0.242 0.000 0.824 388 A HN 0.268 nan 8.150 nan 0.000 0.444 389 I N 0.101 120.634 120.570 -0.062 0.000 2.264 389 I HA -0.282 4.258 4.170 0.617 0.000 0.248 389 I C 2.231 178.356 176.117 0.013 0.000 1.111 389 I CA 1.034 62.340 61.300 0.009 0.000 1.382 389 I CB -0.238 37.816 38.000 0.090 0.000 1.060 389 I HN 0.298 nan 8.210 nan 0.000 0.418 390 L N 0.017 121.245 121.223 0.009 0.000 2.131 390 L HA -0.183 4.527 4.340 0.617 0.000 0.210 390 L C 2.516 179.415 176.870 0.049 0.000 1.092 390 L CA 1.024 55.914 54.840 0.084 0.000 0.759 390 L CB -0.554 41.538 42.059 0.057 0.000 0.903 390 L HN 0.251 nan 8.230 nan 0.000 0.435 391 R N -1.016 119.481 120.500 -0.006 0.000 2.200 391 R HA 0.131 4.841 4.340 0.617 0.000 0.208 391 R C 0.710 177.025 176.300 0.024 0.000 1.033 391 R CA 0.315 56.411 56.100 -0.007 0.000 1.000 391 R CB -0.135 30.157 30.300 -0.013 0.000 0.906 391 R HN 0.103 nan 8.270 nan 0.000 0.462 392 S N 1.071 116.783 115.700 0.021 0.000 2.387 392 S HA 0.328 5.168 4.470 0.617 0.000 0.211 392 S C -2.842 171.790 174.600 0.054 0.000 1.055 392 S CA -1.243 56.986 58.200 0.047 0.000 1.133 392 S CB 1.031 64.256 63.200 0.040 0.000 1.235 392 S HN -0.175 nan 8.310 nan 0.000 0.425 393 P HA 0.201 nan 4.420 nan 0.000 0.264 393 P C -0.350 177.045 177.300 0.157 0.000 1.183 393 P CA -0.023 63.107 63.100 0.050 0.000 0.763 393 P CB 0.145 31.838 31.700 -0.012 0.000 0.807 394 I N -1.196 119.521 120.570 0.245 0.000 2.525 394 I HA 0.405 4.945 4.170 0.617 0.000 0.301 394 I C 0.821 177.270 176.117 0.553 0.000 0.992 394 I CA -0.501 61.021 61.300 0.369 0.000 1.162 394 I CB 2.040 40.268 38.000 0.380 0.000 1.332 394 I HN 0.065 nan 8.210 nan 0.000 0.458 395 S N 3.348 119.327 115.700 0.464 0.000 2.371 395 S HA 0.087 4.927 4.470 0.617 0.000 0.224 395 S C 0.668 175.521 174.600 0.422 0.000 1.029 395 S CA 0.785 59.197 58.200 0.353 0.000 0.978 395 S CB -0.240 63.148 63.200 0.314 0.000 0.833 395 S HN 0.680 nan 8.310 nan 0.000 0.466 396 R N -0.263 120.517 120.500 0.466 0.000 2.836 396 R HA 0.678 5.388 4.340 0.617 0.000 0.269 396 R C -0.734 175.533 176.300 -0.055 0.000 1.010 396 R CA -0.622 55.596 56.100 0.196 0.000 0.930 396 R CB 1.701 32.086 30.300 0.142 0.000 1.218 396 R HN 0.260 nan 8.270 nan 0.000 0.473 397 M N -1.184 118.093 119.600 -0.538 0.000 2.719 397 M HA 0.925 5.775 4.480 0.617 0.000 0.291 397 M C -0.464 175.402 176.300 -0.723 0.000 1.264 397 M CA -0.634 54.288 55.300 -0.629 0.000 0.811 397 M CB 2.711 34.485 32.600 -1.378 0.000 1.756 397 M HN 0.667 nan 8.290 nan 0.000 0.464 398 G N -0.337 107.973 108.800 -0.817 0.000 2.322 398 G HA2 0.518 4.848 3.960 0.617 0.000 0.295 398 G HA3 0.518 4.848 3.960 0.617 0.000 0.295 398 G C -2.608 171.763 174.900 -0.881 0.000 1.369 398 G CA -0.724 43.793 45.100 -0.971 0.000 0.821 398 G HN 0.764 nan 8.290 nan 0.000 0.536 399 Y N -1.109 118.973 120.300 -0.362 0.000 2.609 399 Y HA 0.780 5.701 4.550 0.619 0.000 0.342 399 Y C 0.766 176.410 175.900 -0.426 0.000 1.058 399 Y CA 0.006 57.883 58.100 -0.373 0.000 1.055 399 Y CB 2.528 40.688 38.460 -0.500 0.000 1.292 399 Y HN 0.966 nan 8.280 nan 0.000 0.476 400 G N -0.745 107.820 108.800 -0.391 0.000 2.658 400 G HA2 0.615 4.945 3.960 0.617 0.000 0.292 400 G HA3 0.615 4.945 3.960 0.617 0.000 0.292 400 G C -0.249 174.073 174.900 -0.963 0.000 1.320 400 G CA -0.324 44.551 45.100 -0.376 0.000 0.933 400 G HN 1.262 nan 8.290 nan 0.000 0.476 401 G N -1.034 107.236 108.800 -0.884 0.000 2.445 401 G HA2 0.001 4.331 3.960 0.617 0.000 0.212 401 G HA3 0.001 4.331 3.960 0.617 0.000 0.212 401 G C -0.994 173.577 174.900 -0.548 0.000 1.217 401 G CA -0.410 44.081 45.100 -1.015 0.000 1.002 401 G HN 1.004 nan 8.290 nan 0.000 0.574 402 Y N 0.617 120.887 120.300 -0.049 0.000 2.404 402 Y HA 0.537 5.458 4.550 0.618 0.000 0.344 402 Y C 1.502 177.392 175.900 -0.017 0.000 0.970 402 Y CA -0.348 57.721 58.100 -0.052 0.000 1.180 402 Y CB 1.379 39.763 38.460 -0.127 0.000 1.138 402 Y HN 0.557 nan 8.280 nan 0.000 0.510 403 L N 2.355 123.643 121.223 0.108 0.000 2.083 403 L HA -0.205 4.505 4.340 0.617 0.000 0.209 403 L C 2.335 179.095 176.870 -0.184 0.000 1.083 403 L CA 2.213 57.095 54.840 0.070 0.000 0.752 403 L CB -0.625 41.505 42.059 0.118 0.000 0.899 403 L HN 0.753 nan 8.230 nan 0.000 0.433 404 S N -1.561 113.816 115.700 -0.538 0.000 2.419 404 S HA -0.166 4.674 4.470 0.617 0.000 0.233 404 S C 1.938 176.442 174.600 -0.159 0.000 1.016 404 S CA 1.189 58.997 58.200 -0.654 0.000 0.974 404 S CB -0.658 62.021 63.200 -0.869 0.000 0.786 404 S HN 0.346 nan 8.310 nan 0.000 0.492 405 L N 1.817 122.947 121.223 -0.156 0.000 2.127 405 L HA 0.441 5.151 4.340 0.617 0.000 0.203 405 L C 2.718 179.483 176.870 -0.176 0.000 1.080 405 L CA 1.429 56.203 54.840 -0.110 0.000 0.768 405 L CB -1.538 40.432 42.059 -0.148 0.000 0.924 405 L HN 0.344 nan 8.230 nan 0.000 0.444 406 A N -0.407 122.074 122.820 -0.565 0.000 1.933 406 A HA -0.100 4.590 4.320 0.617 0.000 0.218 406 A C 2.385 180.014 177.584 0.074 0.000 1.175 406 A CA 1.616 53.285 52.037 -0.614 0.000 0.628 406 A CB -0.993 17.246 19.000 -1.267 0.000 0.814 406 A HN 0.493 nan 8.150 nan 0.000 0.444 407 A N -0.200 122.666 122.820 0.077 0.000 2.070 407 A HA -0.122 4.568 4.320 0.617 0.000 0.220 407 A C 1.906 179.597 177.584 0.177 0.000 1.159 407 A CA 1.591 53.721 52.037 0.154 0.000 0.656 407 A CB -0.387 18.743 19.000 0.217 0.000 0.800 407 A HN 0.558 nan 8.150 nan 0.000 0.453 408 K N -1.474 119.056 120.400 0.217 0.000 2.525 408 K HA 0.089 4.779 4.320 0.617 0.000 0.192 408 K C -0.899 175.629 176.600 -0.119 0.000 1.029 408 K CA 0.306 56.632 56.287 0.065 0.000 1.029 408 K CB -0.048 32.464 32.500 0.020 0.000 0.814 408 K HN 0.514 nan 8.250 nan 0.000 0.503 409 F N 1.020 121.052 119.950 0.136 0.000 2.564 409 F HA 0.204 5.102 4.527 0.619 0.000 0.361 409 F C -1.713 174.197 175.800 0.183 0.000 1.161 409 F CA -2.301 55.794 58.000 0.157 0.000 1.198 409 F CB 1.465 40.591 39.000 0.210 0.000 1.424 409 F HN -0.126 nan 8.300 nan 0.000 0.517 410 P HA -0.234 nan 4.420 nan 0.000 0.216 410 P C 1.686 179.091 177.300 0.175 0.000 1.150 410 P CA 1.431 64.624 63.100 0.155 0.000 0.837 410 P CB 0.409 32.151 31.700 0.070 0.000 0.786 411 K N -0.813 119.696 120.400 0.183 0.000 2.009 411 K HA -0.177 4.513 4.320 0.617 0.000 0.210 411 K C 2.139 178.854 176.600 0.191 0.000 1.049 411 K CA 1.287 57.669 56.287 0.158 0.000 0.929 411 K CB -0.672 31.914 32.500 0.142 0.000 0.714 411 K HN -0.049 nan 8.250 nan 0.000 0.440 412 F N 1.443 121.482 119.950 0.148 0.000 2.161 412 F HA -0.236 4.660 4.527 0.614 0.000 0.300 412 F C 1.842 177.736 175.800 0.156 0.000 1.089 412 F CA 1.268 59.342 58.000 0.123 0.000 1.282 412 F CB -0.252 38.829 39.000 0.135 0.000 1.010 412 F HN -0.184 nan 8.300 nan 0.000 0.485 413 V N 0.368 120.441 119.914 0.265 0.000 2.343 413 V HA -0.315 4.175 4.120 0.617 0.000 0.247 413 V C 2.101 178.330 176.094 0.225 0.000 1.051 413 V CA 2.234 64.730 62.300 0.325 0.000 1.036 413 V CB -0.726 31.275 31.823 0.298 0.000 0.654 413 V HN 0.283 nan 8.190 nan 0.000 0.451 414 D N -0.098 120.370 120.400 0.115 0.000 2.117 414 D HA -0.125 4.885 4.640 0.617 0.000 0.197 414 D C 2.307 178.607 176.300 0.000 0.000 0.987 414 D CA 1.811 55.855 54.000 0.073 0.000 0.829 414 D CB -0.471 40.361 40.800 0.053 0.000 0.961 414 D HN 0.409 nan 8.370 nan 0.000 0.460 415 T N 0.624 115.126 114.554 -0.086 0.000 2.720 415 T HA -0.112 4.608 4.350 0.617 0.000 0.268 415 T C 2.254 176.795 174.700 -0.265 0.000 1.037 415 T CA 0.884 62.898 62.100 -0.143 0.000 1.144 415 T CB -0.391 68.369 68.868 -0.179 0.000 0.864 415 T HN -0.012 nan 8.240 nan 0.000 0.444 416 V N 1.635 121.228 119.914 -0.534 0.000 2.343 416 V HA -0.189 4.301 4.120 0.617 0.000 0.247 416 V C 2.791 178.523 176.094 -0.604 0.000 1.051 416 V CA 2.003 63.831 62.300 -0.786 0.000 1.036 416 V CB -1.261 29.638 31.823 -1.540 0.000 0.654 416 V HN 0.541 nan 8.190 nan 0.000 0.451 417 T N -0.756 113.634 114.554 -0.274 0.000 2.665 417 T HA -0.311 4.408 4.350 0.617 0.000 0.268 417 T C 1.841 176.495 174.700 -0.077 0.000 1.035 417 T CA 2.381 64.460 62.100 -0.035 0.000 1.151 417 T CB -0.408 68.550 68.868 0.150 0.000 0.862 417 T HN 0.781 nan 8.240 nan 0.000 0.438 418 H N 0.795 119.783 119.070 -0.136 0.000 2.326 418 H HA 0.088 5.013 4.556 0.616 0.000 0.301 418 H C 2.071 177.286 175.328 -0.189 0.000 1.081 418 H CA 1.329 57.313 56.048 -0.107 0.000 1.334 418 H CB -0.468 29.261 29.762 -0.055 0.000 1.385 418 H HN 0.325 nan 8.280 nan 0.000 0.504 419 I N 0.619 120.962 120.570 -0.378 0.000 2.163 419 I HA -0.296 4.244 4.170 0.617 0.000 0.243 419 I C 2.781 178.511 176.117 -0.644 0.000 1.085 419 I CA 1.202 62.078 61.300 -0.708 0.000 1.347 419 I CB -0.601 36.996 38.000 -0.672 0.000 1.044 419 I HN 0.486 nan 8.210 nan 0.000 0.408 420 A N 0.913 123.487 122.820 -0.411 0.000 1.908 420 A HA -0.226 4.464 4.320 0.617 0.000 0.218 420 A C 2.082 179.578 177.584 -0.146 0.000 1.181 420 A CA 2.043 53.936 52.037 -0.241 0.000 0.627 420 A CB -0.691 18.141 19.000 -0.280 0.000 0.818 420 A HN 0.428 nan 8.150 nan 0.000 0.445 421 N N -0.432 118.161 118.700 -0.179 0.000 2.142 421 N HA -0.146 4.964 4.740 0.617 0.000 0.186 421 N C 1.743 177.194 175.510 -0.099 0.000 1.023 421 N CA 1.501 54.484 53.050 -0.111 0.000 0.852 421 N CB -0.389 38.042 38.487 -0.093 0.000 0.998 421 N HN 0.764 nan 8.380 nan 0.000 0.424 422 E N -0.099 119.978 120.200 -0.204 0.000 2.051 422 E HA -0.158 4.562 4.350 0.617 0.000 0.192 422 E C 1.795 178.429 176.600 0.058 0.000 0.991 422 E CA 0.613 56.965 56.400 -0.080 0.000 0.799 422 E CB -0.172 29.437 29.700 -0.151 0.000 0.748 422 E HN 0.237 nan 8.360 nan 0.000 0.449 423 F N 1.594 121.415 119.950 -0.215 0.000 2.043 423 F HA -0.270 4.625 4.527 0.613 0.000 0.297 423 F C 2.418 178.274 175.800 0.094 0.000 1.118 423 F CA 1.985 59.948 58.000 -0.062 0.000 1.202 423 F CB -0.072 38.769 39.000 -0.264 0.000 0.965 423 F HN -0.090 nan 8.300 nan 0.000 0.482 424 R N -0.242 120.416 120.500 0.264 0.000 2.081 424 R HA -0.201 4.509 4.340 0.617 0.000 0.235 424 R C 1.957 178.285 176.300 0.047 0.000 1.131 424 R CA 1.734 57.936 56.100 0.169 0.000 0.960 424 R CB -0.765 29.604 30.300 0.115 0.000 0.856 424 R HN 0.364 nan 8.270 nan 0.000 0.436 425 D N 0.603 121.005 120.400 0.004 0.000 2.144 425 D HA -0.110 4.900 4.640 0.617 0.000 0.199 425 D C 1.767 177.973 176.300 -0.156 0.000 0.984 425 D CA 0.980 54.931 54.000 -0.081 0.000 0.834 425 D CB 0.030 40.795 40.800 -0.059 0.000 0.955 425 D HN 0.138 nan 8.370 nan 0.000 0.465 426 I N -0.052 120.493 120.570 -0.043 0.000 2.163 426 I HA -0.284 4.256 4.170 0.617 0.000 0.243 426 I C 2.324 178.294 176.117 -0.245 0.000 1.085 426 I CA 1.110 62.367 61.300 -0.071 0.000 1.347 426 I CB -0.452 37.562 38.000 0.024 0.000 1.044 426 I HN 0.253 nan 8.210 nan 0.000 0.408 427 H N 0.680 119.632 119.070 -0.196 0.000 2.353 427 H HA -0.156 4.769 4.556 0.615 0.000 0.300 427 H C 1.817 177.040 175.328 -0.174 0.000 1.090 427 H CA 1.658 57.605 56.048 -0.168 0.000 1.327 427 H CB -0.146 29.543 29.762 -0.121 0.000 1.383 427 H HN 0.355 nan 8.280 nan 0.000 0.508 428 D N 0.418 120.776 120.400 -0.069 0.000 2.144 428 D HA -0.105 4.905 4.640 0.617 0.000 0.199 428 D C 2.224 178.390 176.300 -0.223 0.000 0.984 428 D CA 0.935 54.860 54.000 -0.124 0.000 0.834 428 D CB -0.140 40.582 40.800 -0.130 0.000 0.955 428 D HN 0.347 nan 8.370 nan 0.000 0.465 429 R N -0.887 119.386 120.500 -0.380 0.000 2.200 429 R HA 0.104 4.814 4.340 0.617 0.000 0.208 429 R C 1.540 177.573 176.300 -0.445 0.000 1.033 429 R CA 0.788 56.581 56.100 -0.511 0.000 1.000 429 R CB 0.321 30.037 30.300 -0.973 0.000 0.906 429 R HN 0.001 nan 8.270 nan 0.000 0.462 430 T N -1.845 112.466 114.554 -0.404 0.000 2.966 430 T HA 0.161 4.881 4.350 0.617 0.000 0.254 430 T C 0.781 175.352 174.700 -0.215 0.000 0.961 430 T CA 0.651 62.493 62.100 -0.429 0.000 0.915 430 T CB 0.846 69.281 68.868 -0.722 0.000 1.186 430 T HN 0.424 nan 8.240 nan 0.000 0.505 431 G N 1.206 109.921 108.800 -0.142 0.000 2.198 431 G HA2 -0.029 4.301 3.960 0.617 0.000 0.260 431 G HA3 -0.029 4.301 3.960 0.617 0.000 0.260 431 G C 1.025 175.942 174.900 0.028 0.000 1.025 431 G CA 0.537 45.624 45.100 -0.022 0.000 0.769 431 G HN 1.444 nan 8.290 nan 0.000 0.507 432 G N -2.797 105.976 108.800 -0.046 0.000 2.160 432 G HA2 -0.009 4.321 3.960 0.617 0.000 0.251 432 G HA3 -0.009 4.321 3.960 0.617 0.000 0.251 432 G C 0.356 175.278 174.900 0.037 0.000 1.008 432 G CA 0.561 45.656 45.100 -0.009 0.000 0.724 432 G HN 1.677 nan 8.290 nan 0.000 0.514 433 V N 1.040 120.978 119.914 0.040 0.000 2.406 433 V HA 0.689 5.179 4.120 0.617 0.000 0.272 433 V C 1.127 177.348 176.094 0.212 0.000 1.043 433 V CA -0.412 61.956 62.300 0.113 0.000 0.915 433 V CB 1.100 32.997 31.823 0.122 0.000 0.988 433 V HN 1.103 nan 8.190 nan 0.000 0.466 434 A N 4.594 127.504 122.820 0.151 0.000 2.520 434 A HA 0.564 5.254 4.320 0.617 0.000 0.235 434 A C 0.891 178.507 177.584 0.054 0.000 1.065 434 A CA 0.427 52.539 52.037 0.126 0.000 0.764 434 A CB 0.085 19.125 19.000 0.066 0.000 1.002 434 A HN 1.408 nan 8.150 nan 0.000 0.502 435 A N 1.138 123.869 122.820 -0.148 0.000 2.448 435 A HA 0.368 5.058 4.320 0.617 0.000 0.239 435 A C 0.645 178.021 177.584 -0.347 0.000 1.080 435 A CA 0.108 51.748 52.037 -0.662 0.000 0.779 435 A CB -0.013 18.554 19.000 -0.722 0.000 1.026 435 A HN 0.913 nan 8.150 nan 0.000 0.499 436 E N 1.230 121.189 120.200 -0.401 0.000 2.328 436 E HA 0.288 5.007 4.350 0.617 0.000 0.265 436 E C 0.460 177.003 176.600 -0.095 0.000 1.057 436 E CA -0.025 56.253 56.400 -0.202 0.000 0.916 436 E CB 0.289 29.857 29.700 -0.219 0.000 0.993 436 E HN 0.701 nan 8.360 nan 0.000 0.446 437 G N 3.951 112.730 108.800 -0.034 0.000 2.390 437 G HA2 0.034 4.363 3.960 0.617 0.000 0.270 437 G HA3 0.034 4.363 3.960 0.617 0.000 0.270 437 G C 0.406 175.339 174.900 0.054 0.000 1.211 437 G CA -0.486 44.623 45.100 0.013 0.000 0.842 437 G HN 0.646 nan 8.290 nan 0.000 0.519 438 E N 1.165 121.428 120.200 0.106 0.000 2.442 438 E HA 0.124 4.844 4.350 0.617 0.000 0.195 438 E C 0.678 177.302 176.600 0.040 0.000 1.030 438 E CA 0.420 56.919 56.400 0.166 0.000 0.869 438 E CB 0.340 30.278 29.700 0.397 0.000 0.857 438 E HN 0.398 nan 8.360 nan 0.000 0.505 439 L N 0.492 121.683 121.223 -0.054 0.000 2.540 439 L HA 0.364 5.074 4.340 0.617 0.000 0.256 439 L C -0.729 176.099 176.870 -0.071 0.000 1.001 439 L CA -0.947 53.817 54.840 -0.127 0.000 0.843 439 L CB 1.944 43.802 42.059 -0.335 0.000 1.436 439 L HN -0.261 nan 8.230 nan 0.000 0.410 440 N N 1.304 119.974 118.700 -0.051 0.000 2.469 440 N HA 0.470 5.580 4.740 0.617 0.000 0.253 440 N C -1.121 174.358 175.510 -0.052 0.000 0.970 440 N CA -0.221 52.807 53.050 -0.037 0.000 0.940 440 N CB 2.267 40.749 38.487 -0.009 0.000 1.128 440 N HN 0.155 nan 8.380 nan 0.000 0.503 441 V N 1.092 120.950 119.914 -0.093 0.000 2.448 441 V HA 0.758 5.248 4.120 0.617 0.000 0.295 441 V C -0.106 175.855 176.094 -0.221 0.000 1.025 441 V CA -0.941 61.278 62.300 -0.134 0.000 0.859 441 V CB 1.468 33.205 31.823 -0.143 0.000 0.988 441 V HN 0.698 nan 8.190 nan 0.000 0.431 442 A N 6.015 128.696 122.820 -0.232 0.000 2.330 442 A HA 0.823 5.513 4.320 0.617 0.000 0.313 442 A C -0.641 176.725 177.584 -0.363 0.000 1.124 442 A CA -0.547 51.297 52.037 -0.322 0.000 0.774 442 A CB 0.722 19.568 19.000 -0.256 0.000 1.198 442 A HN 0.781 nan 8.150 nan 0.000 0.465 443 I N 2.990 123.246 120.570 -0.523 0.000 2.325 443 I HA 0.174 4.714 4.170 0.617 0.000 0.291 443 I C -0.558 175.367 176.117 -0.319 0.000 1.019 443 I CA -0.490 60.550 61.300 -0.434 0.000 1.302 443 I CB 1.267 38.913 38.000 -0.588 0.000 1.401 443 I HN 0.537 nan 8.210 nan 0.000 0.485 444 L N 8.928 129.993 121.223 -0.263 0.000 2.272 444 L HA 0.456 5.166 4.340 0.617 0.000 0.289 444 L C -0.425 176.220 176.870 -0.375 0.000 1.032 444 L CA 0.253 54.877 54.840 -0.360 0.000 0.810 444 L CB 0.469 42.356 42.059 -0.286 0.000 1.205 444 L HN 0.797 nan 8.230 nan 0.000 0.422 445 N N 0.975 119.366 118.700 -0.515 0.000 3.344 445 N HA 0.356 5.466 4.740 0.617 0.000 0.296 445 N C -0.070 175.203 175.510 -0.394 0.000 1.571 445 N CA -0.276 52.586 53.050 -0.313 0.000 0.844 445 N CB 0.550 39.050 38.487 0.022 0.000 1.718 445 N HN 0.161 nan 8.380 nan 0.000 0.589 446 S N -1.502 114.136 115.700 -0.103 0.000 2.461 446 S HA 0.043 4.883 4.470 0.617 0.000 0.228 446 S C 0.700 175.078 174.600 -0.370 0.000 1.005 446 S CA 0.556 58.645 58.200 -0.186 0.000 0.942 446 S CB -0.486 62.460 63.200 -0.424 0.000 0.776 446 S HN 0.566 nan 8.310 nan 0.000 0.514 447 W N 1.694 122.892 121.300 -0.170 0.000 2.526 447 W HA 0.340 5.400 4.660 0.667 0.000 0.294 447 W C 1.852 178.274 176.519 -0.162 0.000 1.181 447 W CA 0.693 57.934 57.345 -0.174 0.000 1.373 447 W CB -0.771 28.558 29.460 -0.219 0.000 1.112 447 W HN 0.464 nan 8.180 nan 0.000 0.545 448 G N 0.749 109.579 108.800 0.050 0.000 2.528 448 G HA2 -0.479 3.851 3.960 0.617 0.000 0.262 448 G HA3 -0.479 3.851 3.960 0.617 0.000 0.262 448 G C 0.838 175.724 174.900 -0.024 0.000 1.200 448 G CA 0.719 45.808 45.100 -0.018 0.000 0.951 448 G HN 0.219 nan 8.290 nan 0.000 0.566 449 K N 0.506 120.895 120.400 -0.019 0.000 2.113 449 K HA -0.134 4.556 4.320 0.617 0.000 0.208 449 K C 2.806 179.342 176.600 -0.106 0.000 1.047 449 K CA 2.726 58.986 56.287 -0.045 0.000 0.928 449 K CB -0.348 32.171 32.500 0.030 0.000 0.716 449 K HN 0.661 nan 8.250 nan 0.000 0.446 450 M N -1.139 118.444 119.600 -0.029 0.000 2.358 450 M HA -0.033 4.817 4.480 0.617 0.000 0.264 450 M C 0.614 176.826 176.300 -0.147 0.000 1.064 450 M CA 1.330 56.626 55.300 -0.007 0.000 1.093 450 M CB 0.191 32.818 32.600 0.045 0.000 1.401 450 M HN -0.113 nan 8.290 nan 0.000 0.440 451 R N 1.533 121.858 120.500 -0.292 0.000 2.865 451 R HA 0.390 5.100 4.340 0.617 0.000 0.370 451 R C -0.631 175.225 176.300 -0.741 0.000 1.168 451 R CA -0.118 55.694 56.100 -0.480 0.000 1.058 451 R CB 0.232 30.201 30.300 -0.551 0.000 1.419 451 R HN 0.282 nan 8.270 nan 0.000 0.580 452 S N 0.525 115.613 115.700 -1.020 0.000 2.544 452 S HA -0.068 4.772 4.470 0.617 0.000 0.290 452 S C 0.178 173.991 174.600 -1.311 0.000 1.276 452 S CA 0.078 57.245 58.200 -1.721 0.000 1.075 452 S CB 0.016 62.250 63.200 -1.609 0.000 0.849 452 S HN 0.600 nan 8.310 nan 0.000 0.494 453 W N 0.545 120.862 121.300 -1.639 0.000 2.589 453 W HA -0.295 4.693 4.660 0.546 0.000 0.272 453 W C 0.889 177.215 176.519 -0.323 0.000 1.060 453 W CA 0.243 57.213 57.345 -0.625 0.000 0.533 453 W CB -2.056 27.218 29.460 -0.310 0.000 2.084 453 W HN 0.619 nan 8.180 nan 0.000 1.371 454 M N -0.392 119.047 119.600 -0.268 0.000 2.333 454 M HA 0.328 5.178 4.480 0.617 0.000 0.257 454 M C 1.484 177.698 176.300 -0.143 0.000 1.078 454 M CA 0.462 55.763 55.300 0.002 0.000 1.005 454 M CB 0.214 32.768 32.600 -0.077 0.000 1.444 454 M HN 0.093 nan 8.290 nan 0.000 0.496 455 A N 0.315 122.896 122.820 -0.398 0.000 2.531 455 A HA 0.246 4.936 4.320 0.617 0.000 0.236 455 A C 0.065 177.163 177.584 -0.811 0.000 1.062 455 A CA 0.234 51.722 52.037 -0.915 0.000 0.760 455 A CB -0.490 17.752 19.000 -1.263 0.000 0.995 455 A HN 0.616 nan 8.150 nan 0.000 0.501 456 F N -0.683 118.630 119.950 -1.062 0.000 2.748 456 F HA -0.200 4.691 4.527 0.606 0.000 0.370 456 F C 0.939 176.993 175.800 0.424 0.000 0.620 456 F CA 1.056 58.799 58.000 -0.428 0.000 1.233 456 F CB -2.627 36.279 39.000 -0.157 0.000 1.708 456 F HN 0.537 nan 8.300 nan 0.000 0.298 457 T N 0.601 115.500 114.554 0.576 0.000 2.889 457 T HA 0.567 5.287 4.350 0.617 0.000 0.291 457 T C 1.144 176.253 174.700 0.681 0.000 0.995 457 T CA -0.005 62.433 62.100 0.563 0.000 1.092 457 T CB 2.426 71.575 68.868 0.468 0.000 0.954 457 T HN -0.012 nan 8.240 nan 0.000 0.506 458 V N 1.514 121.668 119.914 0.400 0.000 3.204 458 V HA 0.469 4.959 4.120 0.617 0.000 0.218 458 V C 1.041 177.189 176.094 0.091 0.000 1.159 458 V CA 0.089 62.567 62.300 0.297 0.000 1.282 458 V CB -0.464 31.462 31.823 0.172 0.000 1.225 458 V HN 0.931 nan 8.190 nan 0.000 0.509 459 A N -0.072 122.739 122.820 -0.015 0.000 2.310 459 A HA 0.390 5.080 4.320 0.617 0.000 0.299 459 A C 0.027 177.441 177.584 -0.284 0.000 1.147 459 A CA -0.216 51.743 52.037 -0.130 0.000 0.818 459 A CB -0.183 18.761 19.000 -0.094 0.000 1.096 459 A HN 0.584 nan 8.150 nan 0.000 0.495 460 H N 1.989 120.669 119.070 -0.650 0.000 3.070 460 H HA 0.179 5.092 4.556 0.596 0.000 0.313 460 H C 1.186 176.187 175.328 -0.544 0.000 0.997 460 H CA 1.438 56.929 56.048 -0.928 0.000 1.438 460 H CB 0.372 29.204 29.762 -1.551 0.000 1.455 460 H HN 1.403 nan 8.280 nan 0.000 0.575 461 A N 4.535 126.857 122.820 -0.828 0.000 2.847 461 A HA -0.206 4.484 4.320 0.617 0.000 0.263 461 A C 0.241 177.607 177.584 -0.364 0.000 1.391 461 A CA 1.177 52.882 52.037 -0.553 0.000 0.866 461 A CB -1.968 16.751 19.000 -0.468 0.000 1.057 461 A HN 0.659 nan 8.150 nan 0.000 0.673 462 L N 0.565 121.575 121.223 -0.356 0.000 2.637 462 L HA 0.309 5.019 4.340 0.617 0.000 0.241 462 L C -2.039 174.672 176.870 -0.265 0.000 1.398 462 L CA -1.727 52.960 54.840 -0.255 0.000 0.895 462 L CB 0.968 42.923 42.059 -0.173 0.000 1.183 462 L HN 0.200 nan 8.230 nan 0.000 0.497 463 P HA 0.113 nan 4.420 nan 0.000 0.268 463 P C -0.988 176.239 177.300 -0.121 0.000 1.208 463 P CA 0.035 62.957 63.100 -0.297 0.000 0.777 463 P CB 0.924 32.379 31.700 -0.407 0.000 0.875 464 N N -0.085 118.601 118.700 -0.023 0.000 3.229 464 N HA 0.213 5.323 4.740 0.617 0.000 0.315 464 N C 0.810 176.358 175.510 0.063 0.000 1.520 464 N CA -0.958 52.073 53.050 -0.031 0.000 0.769 464 N CB 0.492 38.955 38.487 -0.040 0.000 1.766 464 N HN 0.228 nan 8.380 nan 0.000 0.618 465 K N -0.832 119.576 120.400 0.014 0.000 2.074 465 K HA -0.217 4.473 4.320 0.617 0.000 0.209 465 K C 1.002 177.759 176.600 0.261 0.000 1.048 465 K CA 1.899 58.252 56.287 0.109 0.000 0.926 465 K CB -0.092 32.429 32.500 0.035 0.000 0.713 465 K HN 0.516 nan 8.250 nan 0.000 0.444 466 Q N -0.746 119.136 119.800 0.138 0.000 2.389 466 Q HA -0.031 4.679 4.340 0.617 0.000 0.204 466 Q C 1.655 177.768 176.000 0.187 0.000 0.944 466 Q CA 1.528 57.397 55.803 0.109 0.000 0.908 466 Q CB 0.581 29.303 28.738 -0.026 0.000 1.002 466 Q HN 0.600 nan 8.270 nan 0.000 0.493 467 T N -3.718 110.984 114.554 0.248 0.000 2.964 467 T HA -0.019 4.701 4.350 0.617 0.000 0.249 467 T C 1.712 176.595 174.700 0.305 0.000 1.000 467 T CA 0.125 62.470 62.100 0.408 0.000 0.992 467 T CB -0.528 68.597 68.868 0.428 0.000 1.087 467 T HN 0.376 nan 8.240 nan 0.000 0.489 468 Y N 2.258 122.601 120.300 0.072 0.000 2.256 468 Y HA 0.099 5.014 4.550 0.609 0.000 0.288 468 Y C 2.168 178.058 175.900 -0.017 0.000 1.155 468 Y CA 0.928 59.056 58.100 0.047 0.000 1.203 468 Y CB -0.804 37.661 38.460 0.008 0.000 0.980 468 Y HN 0.158 nan 8.280 nan 0.000 0.530 469 S N -0.274 114.922 115.700 -0.840 0.000 2.474 469 S HA -0.090 4.750 4.470 0.617 0.000 0.235 469 S C 0.740 174.834 174.600 -0.843 0.000 0.997 469 S CA 1.321 58.951 58.200 -0.949 0.000 0.949 469 S CB -0.410 62.140 63.200 -1.084 0.000 0.766 469 S HN 0.655 nan 8.310 nan 0.000 0.517 470 Y N -2.173 117.904 120.300 -0.372 0.000 2.638 470 Y HA 0.293 5.208 4.550 0.608 0.000 0.275 470 Y C 1.800 177.325 175.900 -0.624 0.000 1.122 470 Y CA -0.894 56.752 58.100 -0.756 0.000 1.266 470 Y CB -0.746 36.815 38.460 -1.498 0.000 1.317 470 Y HN 0.197 nan 8.280 nan 0.000 0.501 471 Y N 1.172 121.345 120.300 -0.212 0.000 2.256 471 Y HA -0.134 4.718 4.550 0.503 0.000 0.288 471 Y C 2.378 178.308 175.900 0.051 0.000 1.155 471 Y CA 1.494 59.624 58.100 0.051 0.000 1.203 471 Y CB -0.544 37.998 38.460 0.135 0.000 0.980 471 Y HN 0.131 nan 8.280 nan 0.000 0.530 472 G N 0.383 109.251 108.800 0.114 0.000 2.450 472 G HA2 -0.282 4.048 3.960 0.617 0.000 0.220 472 G HA3 -0.282 4.048 3.960 0.617 0.000 0.220 472 G C 1.664 176.596 174.900 0.053 0.000 1.130 472 G CA 1.383 46.550 45.100 0.111 0.000 0.760 472 G HN 0.516 nan 8.290 nan 0.000 0.557 473 I N 0.402 120.965 120.570 -0.013 0.000 2.127 473 I HA -0.169 4.371 4.170 0.617 0.000 0.241 473 I C 2.683 178.826 176.117 0.044 0.000 1.075 473 I CA 0.891 62.198 61.300 0.012 0.000 1.334 473 I CB -0.274 37.733 38.000 0.012 0.000 1.040 473 I HN 0.120 nan 8.210 nan 0.000 0.405 474 L N 0.048 121.288 121.223 0.030 0.000 2.093 474 L HA -0.174 4.536 4.340 0.617 0.000 0.208 474 L C 2.587 179.491 176.870 0.057 0.000 1.085 474 L CA 1.187 56.097 54.840 0.116 0.000 0.755 474 L CB -0.705 41.411 42.059 0.097 0.000 0.904 474 L HN 0.242 nan 8.230 nan 0.000 0.435 475 E N 0.603 120.696 120.200 -0.178 0.000 2.077 475 E HA -0.156 4.564 4.350 0.617 0.000 0.193 475 E C 2.252 178.733 176.600 -0.198 0.000 0.989 475 E CA 1.569 57.783 56.400 -0.311 0.000 0.800 475 E CB -0.002 29.438 29.700 -0.433 0.000 0.746 475 E HN 0.240 nan 8.360 nan 0.000 0.452 476 S N -0.024 115.728 115.700 0.087 0.000 2.356 476 S HA -0.100 4.740 4.470 0.617 0.000 0.223 476 S C 1.901 176.583 174.600 0.137 0.000 1.032 476 S CA 1.173 59.508 58.200 0.224 0.000 1.005 476 S CB -0.302 63.022 63.200 0.206 0.000 0.867 476 S HN 0.271 nan 8.310 nan 0.000 0.449 477 L N 1.869 123.178 121.223 0.145 0.000 2.141 477 L HA -0.087 4.623 4.340 0.617 0.000 0.209 477 L C 2.704 179.710 176.870 0.228 0.000 1.094 477 L CA 1.206 56.166 54.840 0.200 0.000 0.763 477 L CB -0.782 41.410 42.059 0.222 0.000 0.908 477 L HN 0.433 nan 8.230 nan 0.000 0.437 478 S N -0.341 115.420 115.700 0.103 0.000 2.400 478 S HA -0.128 4.712 4.470 0.617 0.000 0.232 478 S C 1.614 176.094 174.600 -0.199 0.000 1.025 478 S CA 1.223 59.262 58.200 -0.267 0.000 0.993 478 S CB -0.485 62.450 63.200 -0.442 0.000 0.808 478 S HN 0.440 nan 8.310 nan 0.000 0.478 479 G N 0.092 108.840 108.800 -0.087 0.000 3.735 479 G HA2 0.455 4.785 3.960 0.617 0.000 0.283 479 G HA3 0.455 4.785 3.960 0.617 0.000 0.283 479 G C -0.128 174.771 174.900 -0.002 0.000 1.007 479 G CA -0.537 44.523 45.100 -0.065 0.000 0.821 479 G HN 0.458 nan 8.290 nan 0.000 0.505 480 M N 1.542 121.168 119.600 0.044 0.000 2.250 480 M HA 0.310 5.160 4.480 0.617 0.000 0.344 480 M C 1.334 177.672 176.300 0.065 0.000 1.150 480 M CA -0.754 54.591 55.300 0.075 0.000 1.147 480 M CB 0.821 33.485 32.600 0.108 0.000 1.498 480 M HN 0.211 nan 8.290 nan 0.000 0.461 481 R N 3.168 123.716 120.500 0.079 0.000 4.739 481 R HA 0.222 4.932 4.340 0.617 0.000 0.203 481 R C -0.829 175.528 176.300 0.095 0.000 2.125 481 R CA -0.290 55.852 56.100 0.069 0.000 1.743 481 R CB -1.432 28.918 30.300 0.082 0.000 1.271 481 R HN 0.460 nan 8.270 nan 0.000 0.746 482 V N -2.537 117.418 119.914 0.068 0.000 3.102 482 V HA 0.486 4.976 4.120 0.617 0.000 0.312 482 V C -0.900 175.214 176.094 0.033 0.000 1.135 482 V CA -1.464 60.856 62.300 0.033 0.000 1.022 482 V CB 2.209 34.029 31.823 -0.006 0.000 1.056 482 V HN 0.179 nan 8.190 nan 0.000 0.436 483 N N 1.331 120.038 118.700 0.012 0.000 2.419 483 N HA 0.542 5.652 4.740 0.617 0.000 0.264 483 N C -0.762 174.741 175.510 -0.012 0.000 1.031 483 N CA -0.129 52.935 53.050 0.023 0.000 0.951 483 N CB 1.721 40.217 38.487 0.015 0.000 1.101 483 N HN 0.654 nan 8.380 nan 0.000 0.488 484 V N 3.169 123.093 119.914 0.018 0.000 2.435 484 V HA 0.518 5.008 4.120 0.617 0.000 0.290 484 V C 0.433 176.407 176.094 -0.199 0.000 1.030 484 V CA -0.796 61.417 62.300 -0.146 0.000 0.881 484 V CB 1.394 33.125 31.823 -0.152 0.000 0.983 484 V HN 0.676 nan 8.190 nan 0.000 0.445 485 R N 3.267 123.540 120.500 -0.380 0.000 2.888 485 R HA 0.762 5.472 4.340 0.617 0.000 0.266 485 R C -1.874 174.049 176.300 -0.629 0.000 1.020 485 R CA -0.751 55.167 56.100 -0.304 0.000 0.963 485 R CB 1.882 32.106 30.300 -0.125 0.000 1.197 485 R HN 0.393 nan 8.270 nan 0.000 0.481 486 F N 2.057 121.825 119.950 -0.303 0.000 2.493 486 F HA 0.520 5.442 4.527 0.658 0.000 0.329 486 F C 0.137 175.792 175.800 -0.241 0.000 1.126 486 F CA -0.979 56.827 58.000 -0.324 0.000 0.937 486 F CB 1.928 40.682 39.000 -0.411 0.000 1.146 486 F HN 0.448 nan 8.300 nan 0.000 0.442 487 I N -0.214 120.277 120.570 -0.131 0.000 2.785 487 I HA 0.808 5.348 4.170 0.617 0.000 0.302 487 I C -0.474 175.495 176.117 -0.246 0.000 1.069 487 I CA -0.841 60.361 61.300 -0.163 0.000 1.045 487 I CB 2.290 40.171 38.000 -0.198 0.000 1.236 487 I HN 0.509 nan 8.210 nan 0.000 0.429 488 S N 2.795 118.358 115.700 -0.228 0.000 2.690 488 S HA 0.505 5.345 4.470 0.617 0.000 0.291 488 S C 0.507 174.879 174.600 -0.381 0.000 1.138 488 S CA -0.602 57.408 58.200 -0.316 0.000 1.013 488 S CB 1.160 64.265 63.200 -0.158 0.000 1.053 488 S HN 0.598 nan 8.310 nan 0.000 0.539 489 F N 0.979 120.803 119.950 -0.210 0.000 2.202 489 F HA -0.074 4.823 4.527 0.617 0.000 0.301 489 F C 2.097 177.757 175.800 -0.233 0.000 1.082 489 F CA 1.255 59.092 58.000 -0.271 0.000 1.313 489 F CB -0.686 38.093 39.000 -0.369 0.000 1.024 489 F HN 0.521 nan 8.300 nan 0.000 0.495 490 D N 0.248 120.623 120.400 -0.042 0.000 2.117 490 D HA -0.158 4.852 4.640 0.617 0.000 0.197 490 D C 1.843 178.078 176.300 -0.109 0.000 0.987 490 D CA 1.426 55.375 54.000 -0.085 0.000 0.829 490 D CB -0.511 40.242 40.800 -0.078 0.000 0.961 490 D HN 0.231 nan 8.370 nan 0.000 0.460 491 D N 0.475 120.823 120.400 -0.086 0.000 2.106 491 D HA -0.123 4.887 4.640 0.617 0.000 0.191 491 D C 2.310 178.566 176.300 -0.073 0.000 0.997 491 D CA 0.645 54.621 54.000 -0.039 0.000 0.834 491 D CB -0.341 40.434 40.800 -0.041 0.000 0.956 491 D HN 0.077 nan 8.370 nan 0.000 0.448 492 V N 0.917 120.764 119.914 -0.112 0.000 2.358 492 V HA -0.176 4.314 4.120 0.617 0.000 0.246 492 V C 2.623 178.650 176.094 -0.111 0.000 1.047 492 V CA 0.999 63.229 62.300 -0.117 0.000 1.035 492 V CB -0.373 31.364 31.823 -0.144 0.000 0.658 492 V HN 0.175 nan 8.190 nan 0.000 0.452 493 L N -0.095 121.055 121.223 -0.122 0.000 2.141 493 L HA -0.096 4.614 4.340 0.617 0.000 0.209 493 L C 2.561 179.330 176.870 -0.169 0.000 1.094 493 L CA 1.373 56.134 54.840 -0.132 0.000 0.763 493 L CB -0.606 41.373 42.059 -0.133 0.000 0.908 493 L HN 0.358 nan 8.230 nan 0.000 0.437 494 A N -1.299 121.364 122.820 -0.262 0.000 1.935 494 A HA -0.082 4.607 4.320 0.617 0.000 0.214 494 A C 1.727 179.020 177.584 -0.486 0.000 1.178 494 A CA 0.913 52.680 52.037 -0.451 0.000 0.640 494 A CB -0.211 18.374 19.000 -0.692 0.000 0.825 494 A HN 0.446 nan 8.150 nan 0.000 0.447 495 H N -1.506 117.533 119.070 -0.051 0.000 3.233 495 H HA 0.345 5.270 4.556 0.615 0.000 0.263 495 H C 1.261 176.557 175.328 -0.053 0.000 1.168 495 H CA 0.202 56.222 56.048 -0.045 0.000 1.159 495 H CB -0.071 29.664 29.762 -0.046 0.000 1.593 495 H HN 0.627 nan 8.280 nan 0.000 0.580 496 G N 1.757 110.563 108.800 0.010 0.000 2.752 496 G HA2 -0.287 4.043 3.960 0.617 0.000 0.234 496 G HA3 -0.287 4.043 3.960 0.617 0.000 0.234 496 G C -0.265 174.588 174.900 -0.078 0.000 1.367 496 G CA -0.270 44.813 45.100 -0.029 0.000 0.879 496 G HN 0.232 nan 8.290 nan 0.000 0.563 497 I N 1.329 121.803 120.570 -0.160 0.000 2.312 497 I HA 0.198 4.738 4.170 0.617 0.000 0.291 497 I C 0.031 176.034 176.117 -0.189 0.000 1.031 497 I CA -0.574 60.536 61.300 -0.316 0.000 1.293 497 I CB 1.030 38.561 38.000 -0.783 0.000 1.403 497 I HN 0.352 nan 8.210 nan 0.000 0.484 498 D N 3.767 124.084 120.400 -0.138 0.000 2.571 498 D HA -0.082 4.928 4.640 0.617 0.000 0.231 498 D C 1.346 177.648 176.300 0.005 0.000 1.133 498 D CA 0.374 54.340 54.000 -0.057 0.000 0.862 498 D CB 0.800 41.565 40.800 -0.058 0.000 1.179 498 D HN 0.623 nan 8.370 nan 0.000 0.474 499 S N 1.122 116.854 115.700 0.053 0.000 2.515 499 S HA -0.156 4.684 4.470 0.617 0.000 0.231 499 S C 1.039 175.711 174.600 0.121 0.000 0.987 499 S CA 0.572 58.843 58.200 0.119 0.000 0.936 499 S CB 0.031 63.284 63.200 0.088 0.000 0.766 499 S HN 0.541 nan 8.310 nan 0.000 0.528 500 D N 0.954 121.400 120.400 0.077 0.000 2.350 500 D HA 0.114 5.124 4.640 0.617 0.000 0.213 500 D C 0.488 176.837 176.300 0.081 0.000 1.031 500 D CA -0.275 53.765 54.000 0.067 0.000 0.861 500 D CB -0.455 40.366 40.800 0.035 0.000 0.926 500 D HN 0.458 nan 8.370 nan 0.000 0.520 501 I N 1.862 122.495 120.570 0.106 0.000 2.471 501 I HA -0.015 4.525 4.170 0.617 0.000 0.286 501 I C 0.873 177.157 176.117 0.279 0.000 1.079 501 I CA -0.178 61.191 61.300 0.115 0.000 1.398 501 I CB 1.011 39.014 38.000 0.006 0.000 1.403 501 I HN -0.229 nan 8.210 nan 0.000 0.530 502 D N 4.977 125.486 120.400 0.181 0.000 2.262 502 D HA 0.083 5.093 4.640 0.617 0.000 0.212 502 D C 0.116 176.562 176.300 0.243 0.000 0.964 502 D CA 1.216 55.313 54.000 0.163 0.000 0.875 502 D CB 0.665 41.479 40.800 0.023 0.000 0.996 502 D HN 0.202 nan 8.370 nan 0.000 0.497 503 V N 1.777 121.819 119.914 0.213 0.000 2.623 503 V HA 0.343 4.833 4.120 0.617 0.000 0.304 503 V C -0.291 175.883 176.094 0.133 0.000 1.054 503 V CA -0.740 61.682 62.300 0.203 0.000 0.882 503 V CB 2.735 34.577 31.823 0.032 0.000 1.002 503 V HN -0.082 nan 8.190 nan 0.000 0.424 504 I N 5.142 125.832 120.570 0.200 0.000 2.359 504 I HA 0.492 5.032 4.170 0.617 0.000 0.294 504 I C -0.552 175.469 176.117 -0.161 0.000 0.987 504 I CA -0.391 60.906 61.300 -0.005 0.000 1.225 504 I CB 1.599 39.635 38.000 0.060 0.000 1.366 504 I HN 0.442 nan 8.210 nan 0.000 0.466 505 I N 6.522 126.953 120.570 -0.232 0.000 2.378 505 I HA 0.290 4.830 4.170 0.617 0.000 0.291 505 I C -0.199 175.753 176.117 -0.275 0.000 0.992 505 I CA -0.382 60.740 61.300 -0.297 0.000 1.154 505 I CB 1.359 39.233 38.000 -0.209 0.000 1.315 505 I HN 0.601 nan 8.210 nan 0.000 0.448 506 N N 4.916 123.393 118.700 -0.371 0.000 2.354 506 N HA 0.684 5.794 4.740 0.617 0.000 0.287 506 N C -1.029 174.431 175.510 -0.084 0.000 1.016 506 N CA -0.234 52.740 53.050 -0.127 0.000 0.871 506 N CB 2.377 40.898 38.487 0.056 0.000 1.299 506 N HN 0.823 nan 8.380 nan 0.000 0.482 507 G N 0.712 109.548 108.800 0.060 0.000 2.698 507 G HA2 0.738 5.067 3.960 0.617 0.000 0.293 507 G HA3 0.738 5.067 3.960 0.617 0.000 0.293 507 G C -0.721 174.230 174.900 0.084 0.000 1.437 507 G CA -0.141 45.002 45.100 0.073 0.000 0.852 507 G HN 0.826 nan 8.290 nan 0.000 0.499 508 G N -0.019 108.626 108.800 -0.257 0.000 2.347 508 G HA2 0.429 4.758 3.960 0.617 0.000 0.341 508 G HA3 0.429 4.758 3.960 0.617 0.000 0.341 508 G C -3.519 171.217 174.900 -0.273 0.000 1.287 508 G CA -0.363 44.336 45.100 -0.667 0.000 0.984 508 G HN 0.708 nan 8.290 nan 0.000 0.526 509 P HA 0.490 nan 4.420 nan 0.000 0.278 509 P C 0.480 177.894 177.300 0.190 0.000 1.258 509 P CA -0.575 62.644 63.100 0.199 0.000 0.811 509 P CB 1.311 33.203 31.700 0.320 0.000 1.063 510 V N 1.518 121.568 119.914 0.227 0.000 2.999 510 V HA -0.017 4.473 4.120 0.617 0.000 0.307 510 V C 0.323 176.518 176.094 0.169 0.000 1.084 510 V CA 0.876 63.282 62.300 0.176 0.000 1.155 510 V CB -0.842 31.165 31.823 0.306 0.000 0.975 510 V HN 0.688 nan 8.190 nan 0.000 0.490 511 D N 1.896 122.360 120.400 0.108 0.000 2.837 511 D HA -0.132 4.878 4.640 0.617 0.000 0.230 511 D C 0.274 176.635 176.300 0.101 0.000 1.152 511 D CA 1.460 55.514 54.000 0.089 0.000 0.736 511 D CB -1.369 39.495 40.800 0.106 0.000 1.084 511 D HN 1.107 nan 8.370 nan 0.000 0.429 512 T N -5.162 109.456 114.554 0.108 0.000 2.942 512 T HA 0.751 5.471 4.350 0.617 0.000 0.289 512 T C 1.502 176.138 174.700 -0.106 0.000 1.044 512 T CA -0.240 61.912 62.100 0.087 0.000 1.023 512 T CB 2.103 71.146 68.868 0.292 0.000 1.123 512 T HN -0.049 nan 8.240 nan 0.000 0.512 513 A N 0.354 122.958 122.820 -0.360 0.000 2.084 513 A HA 0.069 4.759 4.320 0.617 0.000 0.221 513 A C 1.576 178.874 177.584 -0.475 0.000 1.161 513 A CA 1.285 52.979 52.037 -0.572 0.000 0.653 513 A CB -1.124 17.381 19.000 -0.825 0.000 0.802 513 A HN 0.764 nan 8.150 nan 0.000 0.457 514 F N 0.210 120.115 119.950 -0.075 0.000 2.317 514 F HA -0.014 4.882 4.527 0.615 0.000 0.293 514 F C 2.801 178.641 175.800 0.067 0.000 1.085 514 F CA 1.434 59.361 58.000 -0.121 0.000 1.390 514 F CB -1.083 37.720 39.000 -0.328 0.000 1.077 514 F HN 0.311 nan 8.300 nan 0.000 0.517 515 T N -3.211 111.491 114.554 0.246 0.000 2.809 515 T HA 0.385 5.105 4.350 0.617 0.000 0.260 515 T C 1.960 176.969 174.700 0.514 0.000 1.039 515 T CA 1.253 63.528 62.100 0.292 0.000 1.141 515 T CB -0.370 68.566 68.868 0.114 0.000 0.869 515 T HN 0.379 nan 8.240 nan 0.000 0.437 516 G N 0.105 109.047 108.800 0.237 0.000 2.738 516 G HA2 0.367 4.697 3.960 0.617 0.000 0.195 516 G HA3 0.367 4.697 3.960 0.617 0.000 0.195 516 G C 0.930 175.697 174.900 -0.222 0.000 1.001 516 G CA 0.395 45.461 45.100 -0.058 0.000 0.759 516 G HN 1.495 nan 8.290 nan 0.000 0.494 517 G N 0.707 109.479 108.800 -0.046 0.000 2.528 517 G HA2 -0.230 4.100 3.960 0.617 0.000 0.262 517 G HA3 -0.230 4.100 3.960 0.617 0.000 0.262 517 G C 0.386 175.207 174.900 -0.132 0.000 1.200 517 G CA 0.743 45.792 45.100 -0.085 0.000 0.951 517 G HN 0.588 nan 8.290 nan 0.000 0.566 518 D N 0.152 120.441 120.400 -0.184 0.000 2.378 518 D HA 0.050 5.059 4.640 0.617 0.000 0.227 518 D C 2.371 178.466 176.300 -0.342 0.000 1.012 518 D CA 0.872 54.736 54.000 -0.226 0.000 0.905 518 D CB 0.112 40.800 40.800 -0.187 0.000 0.895 518 D HN 0.341 nan 8.370 nan 0.000 0.532 519 V N -0.469 119.160 119.914 -0.475 0.000 2.568 519 V HA -0.215 4.275 4.120 0.617 0.000 0.253 519 V C 1.346 177.004 176.094 -0.727 0.000 1.072 519 V CA 1.383 63.272 62.300 -0.685 0.000 1.084 519 V CB -0.437 30.752 31.823 -1.058 0.000 0.676 519 V HN 0.317 nan 8.190 nan 0.000 0.469 520 W N -0.014 121.012 121.300 -0.457 0.000 2.937 520 W HA -0.007 5.019 4.660 0.611 0.000 0.245 520 W C 2.392 178.668 176.519 -0.404 0.000 1.306 520 W CA 0.951 58.076 57.345 -0.366 0.000 1.470 520 W CB -0.336 28.945 29.460 -0.297 0.000 1.132 520 W HN 0.416 nan 8.180 nan 0.000 0.675 521 T N -2.944 111.367 114.554 -0.404 0.000 3.081 521 T HA -0.008 4.712 4.350 0.617 0.000 0.255 521 T C 0.825 175.244 174.700 -0.468 0.000 1.113 521 T CA -0.106 61.502 62.100 -0.819 0.000 1.082 521 T CB -0.317 67.772 68.868 -1.298 0.000 0.939 521 T HN -0.122 nan 8.240 nan 0.000 0.506 522 N N 3.575 122.076 118.700 -0.331 0.000 2.416 522 N HA 0.121 5.231 4.740 0.617 0.000 0.265 522 N C -1.406 174.017 175.510 -0.145 0.000 1.195 522 N CA -2.057 50.857 53.050 -0.226 0.000 0.943 522 N CB 1.556 39.886 38.487 -0.262 0.000 1.115 522 N HN 0.127 nan 8.380 nan 0.000 0.481 523 P HA -0.157 nan 4.420 nan 0.000 0.220 523 P C 1.059 178.346 177.300 -0.022 0.000 1.148 523 P CA 1.065 64.159 63.100 -0.010 0.000 0.803 523 P CB 0.418 32.132 31.700 0.025 0.000 0.782 524 K N -0.377 119.991 120.400 -0.052 0.000 2.152 524 K HA -0.155 4.535 4.320 0.617 0.000 0.206 524 K C 2.066 178.629 176.600 -0.061 0.000 1.048 524 K CA 0.886 57.143 56.287 -0.051 0.000 0.933 524 K CB -0.502 31.958 32.500 -0.067 0.000 0.721 524 K HN -0.005 nan 8.250 nan 0.000 0.447 525 L N 0.612 121.768 121.223 -0.111 0.000 2.044 525 L HA -0.109 4.601 4.340 0.617 0.000 0.205 525 L C 1.973 178.825 176.870 -0.029 0.000 1.075 525 L CA 1.355 56.108 54.840 -0.145 0.000 0.747 525 L CB -0.453 41.389 42.059 -0.362 0.000 0.903 525 L HN -0.055 nan 8.230 nan 0.000 0.435 526 V N 0.026 119.958 119.914 0.030 0.000 2.332 526 V HA -0.306 4.184 4.120 0.617 0.000 0.248 526 V C 2.527 178.670 176.094 0.081 0.000 1.055 526 V CA 2.115 64.482 62.300 0.111 0.000 1.038 526 V CB -0.606 31.287 31.823 0.115 0.000 0.651 526 V HN 0.519 nan 8.190 nan 0.000 0.450 527 E N -0.286 119.947 120.200 0.056 0.000 2.051 527 E HA -0.193 4.527 4.350 0.617 0.000 0.192 527 E C 2.283 178.930 176.600 0.078 0.000 0.991 527 E CA 1.895 58.333 56.400 0.063 0.000 0.799 527 E CB -0.372 29.353 29.700 0.042 0.000 0.748 527 E HN 0.578 nan 8.360 nan 0.000 0.449 528 T N 0.749 115.336 114.554 0.055 0.000 2.708 528 T HA -0.140 4.580 4.350 0.617 0.000 0.266 528 T C 2.114 176.891 174.700 0.128 0.000 1.037 528 T CA 1.332 63.471 62.100 0.066 0.000 1.146 528 T CB -0.254 68.618 68.868 0.007 0.000 0.865 528 T HN -0.029 nan 8.240 nan 0.000 0.435 529 V N 1.314 121.297 119.914 0.115 0.000 2.307 529 V HA -0.143 4.347 4.120 0.617 0.000 0.245 529 V C 2.622 178.832 176.094 0.192 0.000 1.045 529 V CA 1.566 63.965 62.300 0.166 0.000 1.024 529 V CB -0.600 31.279 31.823 0.093 0.000 0.651 529 V HN 0.345 nan 8.190 nan 0.000 0.449 530 R N 0.222 120.796 120.500 0.123 0.000 2.083 530 R HA -0.160 4.550 4.340 0.617 0.000 0.237 530 R C 2.458 178.917 176.300 0.264 0.000 1.137 530 R CA 1.623 57.832 56.100 0.181 0.000 0.951 530 R CB -0.657 29.758 30.300 0.193 0.000 0.851 530 R HN 0.542 nan 8.270 nan 0.000 0.434 531 A N 0.213 123.156 122.820 0.205 0.000 1.902 531 A HA -0.209 4.481 4.320 0.617 0.000 0.217 531 A C 1.894 179.603 177.584 0.209 0.000 1.181 531 A CA 1.247 53.389 52.037 0.174 0.000 0.623 531 A CB -0.846 18.235 19.000 0.136 0.000 0.818 531 A HN 0.622 nan 8.150 nan 0.000 0.443 532 W N 0.645 121.987 121.300 0.069 0.000 2.358 532 W HA -0.167 4.864 4.660 0.618 0.000 0.303 532 W C 1.936 178.509 176.519 0.090 0.000 1.208 532 W CA 2.262 59.647 57.345 0.066 0.000 1.274 532 W CB -0.316 29.178 29.460 0.057 0.000 1.138 532 W HN 0.101 nan 8.180 nan 0.000 0.515 533 V N 0.991 120.957 119.914 0.086 0.000 2.307 533 V HA -0.263 4.227 4.120 0.617 0.000 0.245 533 V C 2.394 178.504 176.094 0.027 0.000 1.045 533 V CA 2.235 64.485 62.300 -0.084 0.000 1.024 533 V CB -1.064 30.802 31.823 0.071 0.000 0.651 533 V HN 0.047 nan 8.190 nan 0.000 0.449 534 R N 1.132 121.743 120.500 0.185 0.000 2.117 534 R HA -0.151 4.559 4.340 0.617 0.000 0.243 534 R C 2.070 178.347 176.300 -0.038 0.000 1.143 534 R CA 1.699 57.839 56.100 0.068 0.000 0.968 534 R CB -1.036 29.277 30.300 0.021 0.000 0.863 534 R HN 0.533 nan 8.270 nan 0.000 0.444 535 G N -2.620 106.137 108.800 -0.071 0.000 2.920 535 G HA2 0.224 4.554 3.960 0.617 0.000 0.208 535 G HA3 0.224 4.554 3.960 0.617 0.000 0.208 535 G C 0.764 175.555 174.900 -0.183 0.000 1.159 535 G CA 0.465 45.501 45.100 -0.107 0.000 0.784 535 G HN 0.575 nan 8.290 nan 0.000 0.535 536 G N -1.596 107.058 108.800 -0.243 0.000 2.227 536 G HA2 0.033 4.363 3.960 0.617 0.000 0.168 536 G HA3 0.033 4.363 3.960 0.617 0.000 0.168 536 G C 0.800 175.438 174.900 -0.436 0.000 1.006 536 G CA 0.087 45.035 45.100 -0.254 0.000 0.684 536 G HN 0.912 nan 8.290 nan 0.000 0.489 537 G N 0.029 108.275 108.800 -0.924 0.000 2.716 537 G HA2 0.626 4.956 3.960 0.617 0.000 0.251 537 G HA3 0.626 4.956 3.960 0.617 0.000 0.251 537 G C 0.205 174.648 174.900 -0.761 0.000 1.224 537 G CA 0.634 44.727 45.100 -1.678 0.000 0.891 537 G HN 1.655 nan 8.290 nan 0.000 0.561 538 A N -0.613 121.931 122.820 -0.461 0.000 2.398 538 A HA 0.635 5.325 4.320 0.617 0.000 0.301 538 A C -1.567 176.223 177.584 0.343 0.000 1.041 538 A CA -0.540 51.509 52.037 0.020 0.000 0.711 538 A CB 1.406 20.414 19.000 0.013 0.000 1.240 538 A HN 0.867 nan 8.150 nan 0.000 0.420 539 F N 3.233 123.263 119.950 0.133 0.000 2.460 539 F HA 0.597 5.496 4.527 0.620 0.000 0.341 539 F C -0.904 174.936 175.800 0.066 0.000 1.130 539 F CA -0.611 57.477 58.000 0.147 0.000 0.962 539 F CB 1.839 40.911 39.000 0.120 0.000 1.171 539 F HN 0.338 nan 8.300 nan 0.000 0.436 540 V N 5.631 125.289 119.914 -0.426 0.000 2.347 540 V HA 0.626 5.116 4.120 0.617 0.000 0.280 540 V C 0.363 176.111 176.094 -0.577 0.000 1.021 540 V CA -0.617 61.482 62.300 -0.334 0.000 0.847 540 V CB 1.120 32.833 31.823 -0.183 0.000 0.990 540 V HN 0.928 nan 8.190 nan 0.000 0.444 541 G N 3.712 112.302 108.800 -0.351 0.000 2.368 541 G HA2 0.603 4.933 3.960 0.617 0.000 0.320 541 G HA3 0.603 4.933 3.960 0.617 0.000 0.320 541 G C -0.962 173.831 174.900 -0.179 0.000 1.158 541 G CA -0.402 44.538 45.100 -0.266 0.000 0.912 541 G HN 0.536 nan 8.290 nan 0.000 0.456 542 V N 2.734 122.551 119.914 -0.163 0.000 2.448 542 V HA 0.783 5.272 4.120 0.617 0.000 0.295 542 V C 1.175 177.278 176.094 0.015 0.000 1.025 542 V CA 0.799 63.014 62.300 -0.142 0.000 0.859 542 V CB 0.503 32.296 31.823 -0.051 0.000 0.988 542 V HN 1.550 nan 8.190 nan 0.000 0.431 543 G N 5.058 113.860 108.800 0.003 0.000 3.377 543 G HA2 -0.247 4.083 3.960 0.617 0.000 0.304 543 G HA3 -0.247 4.083 3.960 0.617 0.000 0.304 543 G C 0.187 175.256 174.900 0.281 0.000 1.366 543 G CA 0.486 45.742 45.100 0.260 0.000 1.020 543 G HN 0.722 nan 8.290 nan 0.000 0.621 544 E N 2.335 122.586 120.200 0.086 0.000 3.786 544 E HA 0.319 5.039 4.350 0.617 0.000 0.215 544 E C -2.664 173.628 176.600 -0.513 0.000 1.188 544 E CA -1.617 54.663 56.400 -0.200 0.000 1.248 544 E CB 2.043 31.872 29.700 0.214 0.000 1.260 544 E HN 0.432 nan 8.360 nan 0.000 0.426 545 P HA -0.088 nan 4.420 nan 0.000 0.269 545 P C 0.458 177.312 177.300 -0.744 0.000 1.209 545 P CA 0.444 63.252 63.100 -0.487 0.000 0.776 545 P CB 1.164 32.684 31.700 -0.300 0.000 0.876 546 S N 0.099 115.249 115.700 -0.917 0.000 3.445 546 S HA -0.184 4.656 4.470 0.617 0.000 0.319 546 S C 0.200 174.202 174.600 -0.997 0.000 1.209 546 S CA 0.885 57.986 58.200 -1.831 0.000 0.934 546 S CB -3.031 59.201 63.200 -1.613 0.000 0.999 546 S HN 0.788 nan 8.310 nan 0.000 0.582 547 S N 0.367 115.669 115.700 -0.663 0.000 2.565 547 S HA 0.771 5.611 4.470 0.617 0.000 0.274 547 S C -0.021 174.329 174.600 -0.415 0.000 1.309 547 S CA -0.208 57.628 58.200 -0.607 0.000 1.043 547 S CB 1.600 64.386 63.200 -0.690 0.000 0.939 547 S HN 1.975 nan 8.310 nan 0.000 0.504 548 A N 3.461 126.029 122.820 -0.421 0.000 2.476 548 A HA 0.690 5.380 4.320 0.617 0.000 0.280 548 A C -2.955 174.619 177.584 -0.016 0.000 1.081 548 A CA -1.604 50.347 52.037 -0.144 0.000 0.753 548 A CB 1.080 20.040 19.000 -0.066 0.000 1.248 548 A HN 0.669 nan 8.150 nan 0.000 0.424 549 P HA 0.310 nan 4.420 nan 0.000 0.275 549 P C 0.343 177.806 177.300 0.273 0.000 1.228 549 P CA 0.053 63.375 63.100 0.369 0.000 0.786 549 P CB 0.859 32.771 31.700 0.353 0.000 0.927 550 R N -0.645 120.019 120.500 0.275 0.000 3.953 550 R HA -0.263 4.447 4.340 0.617 0.000 0.448 550 R C 1.303 177.722 176.300 0.198 0.000 1.016 550 R CA 1.187 57.403 56.100 0.193 0.000 1.398 550 R CB -2.315 28.073 30.300 0.147 0.000 2.021 550 R HN 0.443 nan 8.270 nan 0.000 0.538 551 F N 1.598 121.595 119.950 0.078 0.000 2.163 551 F HA 0.006 4.904 4.527 0.618 0.000 0.297 551 F C 0.869 176.698 175.800 0.049 0.000 1.094 551 F CA 1.450 59.480 58.000 0.049 0.000 1.290 551 F CB 0.310 39.332 39.000 0.036 0.000 1.017 551 F HN 0.011 nan 8.300 nan 0.000 0.483 552 Q N -0.158 119.673 119.800 0.051 0.000 2.330 552 Q HA 0.192 4.902 4.340 0.617 0.000 0.269 552 Q C 0.805 176.830 176.000 0.043 0.000 1.022 552 Q CA -0.184 55.588 55.803 -0.052 0.000 0.796 552 Q CB 1.938 30.682 28.738 0.009 0.000 1.271 552 Q HN 0.019 nan 8.270 nan 0.000 0.450 553 T N 1.093 115.650 114.554 0.005 0.000 2.759 553 T HA -0.138 4.582 4.350 0.617 0.000 0.269 553 T C 1.348 176.073 174.700 0.042 0.000 1.042 553 T CA 1.757 63.874 62.100 0.028 0.000 1.140 553 T CB 0.006 68.875 68.868 0.003 0.000 0.864 553 T HN 0.833 nan 8.240 nan 0.000 0.455 554 G N -0.000 108.820 108.800 0.034 0.000 3.126 554 G HA2 0.311 4.641 3.960 0.617 0.000 0.224 554 G HA3 0.311 4.641 3.960 0.617 0.000 0.224 554 G C 0.381 175.321 174.900 0.067 0.000 1.142 554 G CA -0.403 44.721 45.100 0.041 0.000 0.759 554 G HN 0.244 nan 8.290 nan 0.000 0.550 555 R N -0.719 119.835 120.500 0.091 0.000 2.515 555 R HA 0.502 5.212 4.340 0.617 0.000 0.291 555 R C -0.671 175.739 176.300 0.183 0.000 1.046 555 R CA -0.768 55.392 56.100 0.100 0.000 0.914 555 R CB 0.867 31.214 30.300 0.078 0.000 1.191 555 R HN -0.029 nan 8.270 nan 0.000 0.435 556 F N 3.988 123.928 119.950 -0.017 0.000 2.399 556 F HA 0.423 5.320 4.527 0.616 0.000 0.282 556 F C -0.220 175.692 175.800 0.186 0.000 1.027 556 F CA 0.137 58.167 58.000 0.050 0.000 1.333 556 F CB 0.396 39.381 39.000 -0.025 0.000 1.132 556 F HN 0.355 nan 8.300 nan 0.000 0.590 557 F N 3.105 122.984 119.950 -0.117 0.000 2.471 557 F HA 0.198 5.097 4.527 0.621 0.000 0.365 557 F C 1.545 177.209 175.800 -0.226 0.000 1.095 557 F CA -0.955 56.883 58.000 -0.271 0.000 1.174 557 F CB 0.101 38.972 39.000 -0.215 0.000 1.105 557 F HN 0.130 nan 8.300 nan 0.000 0.535 558 Q N 2.682 122.415 119.800 -0.111 0.000 2.170 558 Q HA -0.078 4.632 4.340 0.617 0.000 0.203 558 Q C 1.583 177.527 176.000 -0.094 0.000 0.976 558 Q CA 1.221 56.989 55.803 -0.059 0.000 0.858 558 Q CB -0.044 28.687 28.738 -0.011 0.000 0.907 558 Q HN 0.654 nan 8.270 nan 0.000 0.433 559 L N 0.408 121.492 121.223 -0.231 0.000 2.783 559 L HA 0.239 4.949 4.340 0.617 0.000 0.236 559 L C 1.681 178.467 176.870 -0.140 0.000 1.225 559 L CA -0.183 54.505 54.840 -0.254 0.000 1.026 559 L CB -0.359 41.386 42.059 -0.524 0.000 1.314 559 L HN 0.014 nan 8.230 nan 0.000 0.489 560 A N 1.176 123.975 122.820 -0.036 0.000 1.958 560 A HA -0.283 4.407 4.320 0.617 0.000 0.221 560 A C 2.079 179.629 177.584 -0.057 0.000 1.178 560 A CA 2.280 54.300 52.037 -0.028 0.000 0.642 560 A CB -0.345 18.603 19.000 -0.086 0.000 0.816 560 A HN 0.664 nan 8.150 nan 0.000 0.453 561 D N -0.097 120.277 120.400 -0.043 0.000 2.144 561 D HA -0.104 4.906 4.640 0.617 0.000 0.200 561 D C 1.808 178.088 176.300 -0.034 0.000 0.978 561 D CA 1.574 55.589 54.000 0.024 0.000 0.833 561 D CB -0.907 39.965 40.800 0.121 0.000 0.961 561 D HN 0.274 nan 8.370 nan 0.000 0.470 562 V N 1.997 121.730 119.914 -0.302 0.000 2.270 562 V HA -0.190 4.299 4.120 0.617 0.000 0.245 562 V C 2.644 178.644 176.094 -0.155 0.000 1.043 562 V CA 1.881 63.834 62.300 -0.578 0.000 1.014 562 V CB -0.594 30.813 31.823 -0.693 0.000 0.645 562 V HN 0.398 nan 8.190 nan 0.000 0.447 563 I N -1.985 118.565 120.570 -0.032 0.000 3.603 563 I HA 0.432 4.972 4.170 0.617 0.000 0.297 563 I C 1.530 177.669 176.117 0.037 0.000 1.269 563 I CA 0.963 62.309 61.300 0.076 0.000 1.361 563 I CB -0.147 37.962 38.000 0.182 0.000 1.063 563 I HN 0.416 nan 8.210 nan 0.000 0.448 564 G N 1.675 110.466 108.800 -0.015 0.000 2.143 564 G HA2 -0.198 4.132 3.960 0.617 0.000 0.249 564 G HA3 -0.198 4.132 3.960 0.617 0.000 0.249 564 G C -0.001 174.800 174.900 -0.165 0.000 0.981 564 G CA 0.181 45.249 45.100 -0.052 0.000 0.665 564 G HN 0.363 nan 8.290 nan 0.000 0.528 565 V N 0.087 119.868 119.914 -0.223 0.000 2.760 565 V HA 0.757 5.247 4.120 0.617 0.000 0.309 565 V C -0.654 175.094 176.094 -0.578 0.000 1.077 565 V CA -0.648 61.377 62.300 -0.457 0.000 0.910 565 V CB 2.137 33.629 31.823 -0.552 0.000 1.008 565 V HN 0.287 nan 8.190 nan 0.000 0.424 566 D N 1.624 121.419 120.400 -1.009 0.000 2.531 566 D HA 0.416 5.426 4.640 0.617 0.000 0.244 566 D C -0.991 174.515 176.300 -1.324 0.000 1.090 566 D CA -0.537 52.726 54.000 -1.228 0.000 0.989 566 D CB 2.618 42.911 40.800 -0.845 0.000 1.433 566 D HN 0.641 nan 8.370 nan 0.000 0.492 567 E N 1.040 120.524 120.200 -1.193 0.000 2.133 567 E HA 0.222 4.942 4.350 0.617 0.000 0.274 567 E C -0.916 175.522 176.600 -0.270 0.000 0.930 567 E CA -0.635 55.413 56.400 -0.586 0.000 0.770 567 E CB 1.084 30.558 29.700 -0.376 0.000 1.104 567 E HN 0.276 nan 8.360 nan 0.000 0.403 568 E N 3.544 123.695 120.200 -0.081 0.000 2.415 568 E HA -0.040 4.680 4.350 0.617 0.000 0.263 568 E C -0.234 176.124 176.600 -0.402 0.000 0.995 568 E CA 0.325 56.632 56.400 -0.155 0.000 0.915 568 E CB 0.529 30.104 29.700 -0.209 0.000 0.951 568 E HN 0.376 nan 8.360 nan 0.000 0.449 569 R N 4.043 124.330 120.500 -0.356 0.000 2.629 569 R HA 0.101 4.811 4.340 0.617 0.000 0.386 569 R C -0.426 175.850 176.300 -0.040 0.000 1.071 569 R CA -0.371 55.549 56.100 -0.299 0.000 1.104 569 R CB -0.494 29.602 30.300 -0.339 0.000 1.370 569 R HN 0.814 nan 8.270 nan 0.000 0.574 570 Y N -0.691 119.554 120.300 -0.091 0.000 4.841 570 Y HA -0.276 4.643 4.550 0.616 0.000 0.242 570 Y C 1.359 177.225 175.900 -0.057 0.000 1.002 570 Y CA 0.669 58.727 58.100 -0.069 0.000 2.011 570 Y CB -1.602 36.822 38.460 -0.060 0.000 1.554 570 Y HN 0.092 nan 8.280 nan 0.000 0.618 571 Q N -0.365 119.449 119.800 0.024 0.000 2.391 571 Q HA 0.140 4.850 4.340 0.617 0.000 0.211 571 Q C 1.588 177.577 176.000 -0.019 0.000 0.908 571 Q CA 1.467 57.278 55.803 0.013 0.000 0.920 571 Q CB 0.200 28.946 28.738 0.013 0.000 1.056 571 Q HN 0.674 nan 8.270 nan 0.000 0.523 572 T N -2.572 111.946 114.554 -0.060 0.000 3.266 572 T HA 0.372 5.092 4.350 0.617 0.000 0.278 572 T C 1.369 175.991 174.700 -0.130 0.000 1.010 572 T CA -0.225 61.821 62.100 -0.090 0.000 0.909 572 T CB -0.303 68.504 68.868 -0.101 0.000 1.122 572 T HN 0.001 nan 8.240 nan 0.000 0.536 573 L N 0.455 121.622 121.223 -0.093 0.000 2.265 573 L HA -0.014 4.696 4.340 0.617 0.000 0.215 573 L C 2.550 179.365 176.870 -0.090 0.000 1.117 573 L CA 0.757 55.540 54.840 -0.095 0.000 0.782 573 L CB -0.536 41.503 42.059 -0.032 0.000 0.914 573 L HN 0.356 nan 8.230 nan 0.000 0.441 574 S N -0.854 114.803 115.700 -0.072 0.000 2.522 574 S HA 0.013 4.853 4.470 0.617 0.000 0.227 574 S C 0.789 175.342 174.600 -0.077 0.000 0.986 574 S CA 0.154 58.318 58.200 -0.061 0.000 0.929 574 S CB 0.095 63.271 63.200 -0.039 0.000 0.769 574 S HN 0.067 nan 8.310 nan 0.000 0.529 575 V N 3.507 123.354 119.914 -0.111 0.000 2.348 575 V HA 0.175 4.665 4.120 0.617 0.000 0.270 575 V C -0.000 175.978 176.094 -0.193 0.000 1.037 575 V CA -0.986 61.240 62.300 -0.123 0.000 0.872 575 V CB 0.833 32.580 31.823 -0.126 0.000 1.002 575 V HN 0.258 nan 8.190 nan 0.000 0.464 576 D N 5.450 125.743 120.400 -0.178 0.000 2.531 576 D HA 0.043 5.053 4.640 0.617 0.000 0.239 576 D C 0.079 176.088 176.300 -0.486 0.000 1.144 576 D CA 0.414 54.210 54.000 -0.340 0.000 0.869 576 D CB 0.855 41.472 40.800 -0.305 0.000 1.160 576 D HN 0.390 nan 8.370 nan 0.000 0.484 577 K N 3.199 123.291 120.400 -0.514 0.000 2.211 577 K HA 0.254 4.944 4.320 0.617 0.000 0.275 577 K C -0.588 175.818 176.600 -0.324 0.000 1.024 577 K CA -0.593 55.488 56.287 -0.343 0.000 0.887 577 K CB 0.959 33.326 32.500 -0.222 0.000 1.084 577 K HN 0.323 nan 8.250 nan 0.000 0.463 578 Y N 1.991 122.385 120.300 0.156 0.000 2.328 578 Y HA 0.335 5.255 4.550 0.617 0.000 0.337 578 Y C -0.114 175.936 175.900 0.250 0.000 0.966 578 Y CA -0.782 57.435 58.100 0.195 0.000 1.136 578 Y CB 0.958 39.463 38.460 0.074 0.000 1.170 578 Y HN 0.394 nan 8.280 nan 0.000 0.470 579 F N 5.937 125.951 119.950 0.107 0.000 2.405 579 F HA 0.409 5.306 4.527 0.616 0.000 0.355 579 F C -1.844 173.942 175.800 -0.023 0.000 1.121 579 F CA -2.389 55.637 58.000 0.044 0.000 1.112 579 F CB 1.193 40.215 39.000 0.036 0.000 1.126 579 F HN 0.322 nan 8.300 nan 0.000 0.481 580 P HA 0.172 nan 4.420 nan 0.000 0.274 580 P C -2.709 174.541 177.300 -0.083 0.000 1.246 580 P CA -1.606 61.489 63.100 -0.008 0.000 0.795 580 P CB 0.061 31.763 31.700 0.003 0.000 1.006 581 P HA 0.020 nan 4.420 nan 0.000 0.266 581 P C -0.208 177.146 177.300 0.089 0.000 1.195 581 P CA 0.162 63.095 63.100 -0.277 0.000 0.768 581 P CB 0.182 31.802 31.700 -0.134 0.000 0.838 582 V N 4.204 124.325 119.914 0.346 0.000 2.655 582 V HA -0.008 4.482 4.120 0.617 0.000 0.300 582 V C 0.539 176.850 176.094 0.362 0.000 1.044 582 V CA 0.173 62.704 62.300 0.385 0.000 1.095 582 V CB 1.021 33.140 31.823 0.493 0.000 0.952 582 V HN 0.219 nan 8.190 nan 0.000 0.485 583 V N 8.510 128.540 119.914 0.194 0.000 2.288 583 V HA 0.227 4.717 4.120 0.617 0.000 0.266 583 V C -1.231 174.923 176.094 0.099 0.000 1.048 583 V CA -0.898 61.503 62.300 0.169 0.000 0.842 583 V CB 1.227 33.136 31.823 0.143 0.000 1.064 583 V HN 0.872 nan 8.190 nan 0.000 0.472 584 P HA 0.028 nan 4.420 nan 0.000 0.225 584 P C 0.041 177.341 177.300 -0.000 0.000 1.156 584 P CA 0.728 63.796 63.100 -0.053 0.000 0.787 584 P CB 0.380 32.001 31.700 -0.133 0.000 0.802 585 D N 0.434 120.873 120.400 0.065 0.000 2.427 585 D HA 0.227 5.237 4.640 0.617 0.000 0.226 585 D C -0.229 176.137 176.300 0.110 0.000 1.076 585 D CA 0.076 54.111 54.000 0.059 0.000 0.849 585 D CB 1.143 41.974 40.800 0.051 0.000 1.052 585 D HN 0.200 nan 8.370 nan 0.000 0.515 586 H N 1.351 120.401 119.070 -0.033 0.000 3.012 586 H HA 0.034 4.960 4.556 0.617 0.000 0.367 586 H C 0.061 175.365 175.328 -0.040 0.000 1.211 586 H CA -0.679 55.350 56.048 -0.030 0.000 1.139 586 H CB 1.883 31.598 29.762 -0.080 0.000 1.838 586 H HN 0.232 nan 8.280 nan 0.000 0.550 587 F N 3.514 123.229 119.950 -0.391 0.000 2.085 587 F HA -0.263 4.633 4.527 0.615 0.000 0.299 587 F C 1.861 177.597 175.800 -0.106 0.000 1.096 587 F CA 2.228 60.092 58.000 -0.228 0.000 1.227 587 F CB -0.193 38.683 39.000 -0.207 0.000 0.983 587 F HN 0.571 nan 8.300 nan 0.000 0.482 588 I N -0.071 120.674 120.570 0.290 0.000 2.179 588 I HA -0.292 4.248 4.170 0.617 0.000 0.242 588 I C 1.972 178.035 176.117 -0.090 0.000 1.088 588 I CA 1.934 63.283 61.300 0.082 0.000 1.357 588 I CB -0.768 37.233 38.000 0.002 0.000 1.051 588 I HN 0.318 nan 8.210 nan 0.000 0.409 589 T N -1.578 112.944 114.554 -0.054 0.000 3.235 589 T HA 0.382 5.102 4.350 0.617 0.000 0.251 589 T C 1.485 176.108 174.700 -0.128 0.000 1.060 589 T CA 0.314 62.359 62.100 -0.092 0.000 0.949 589 T CB 0.288 69.118 68.868 -0.062 0.000 1.020 589 T HN 0.265 nan 8.240 nan 0.000 0.564 590 A N 2.069 124.770 122.820 -0.199 0.000 1.972 590 A HA -0.043 4.647 4.320 0.617 0.000 0.219 590 A C 1.941 179.423 177.584 -0.168 0.000 1.169 590 A CA 1.142 53.061 52.037 -0.197 0.000 0.635 590 A CB -0.329 18.495 19.000 -0.292 0.000 0.810 590 A HN 0.462 nan 8.150 nan 0.000 0.446 591 D N -0.414 119.877 120.400 -0.182 0.000 2.328 591 D HA 0.162 5.172 4.640 0.617 0.000 0.221 591 D C -0.067 176.164 176.300 -0.115 0.000 1.072 591 D CA 0.086 54.006 54.000 -0.134 0.000 0.850 591 D CB 0.265 40.989 40.800 -0.125 0.000 0.922 591 D HN 0.132 nan 8.370 nan 0.000 0.516 592 V N 3.043 122.885 119.914 -0.120 0.000 2.479 592 V HA 0.075 4.565 4.120 0.617 0.000 0.281 592 V C -1.805 174.230 176.094 -0.098 0.000 1.031 592 V CA -1.185 61.045 62.300 -0.117 0.000 1.038 592 V CB 0.439 32.188 31.823 -0.123 0.000 0.981 592 V HN -0.050 nan 8.190 nan 0.000 0.478 593 P HA 0.061 nan 4.420 nan 0.000 0.264 593 P C -0.311 176.947 177.300 -0.071 0.000 1.183 593 P CA 0.104 63.160 63.100 -0.073 0.000 0.763 593 P CB 0.339 31.998 31.700 -0.070 0.000 0.807 594 V N 3.190 123.069 119.914 -0.057 0.000 2.732 594 V HA 0.171 4.661 4.120 0.617 0.000 0.297 594 V C 0.502 176.570 176.094 -0.042 0.000 1.060 594 V CA 0.337 62.606 62.300 -0.052 0.000 1.038 594 V CB 1.223 33.023 31.823 -0.038 0.000 1.003 594 V HN 0.561 nan 8.190 nan 0.000 0.481 595 D N 4.552 124.928 120.400 -0.040 0.000 2.408 595 D HA 0.371 5.381 4.640 0.617 0.000 0.261 595 D C -1.997 174.297 176.300 -0.010 0.000 1.190 595 D CA -1.887 52.097 54.000 -0.026 0.000 0.910 595 D CB 2.167 42.948 40.800 -0.033 0.000 1.097 595 D HN 0.141 nan 8.370 nan 0.000 0.522 596 P HA -0.083 nan 4.420 nan 0.000 0.215 596 P C 1.246 178.561 177.300 0.026 0.000 1.153 596 P CA 1.386 64.495 63.100 0.014 0.000 0.853 596 P CB 0.309 32.016 31.700 0.011 0.000 0.788 597 A N 0.176 123.007 122.820 0.019 0.000 1.892 597 A HA -0.211 4.479 4.320 0.617 0.000 0.218 597 A C 2.357 179.965 177.584 0.040 0.000 1.188 597 A CA 2.543 54.596 52.037 0.025 0.000 0.631 597 A CB -1.674 17.336 19.000 0.016 0.000 0.822 597 A HN 0.212 nan 8.150 nan 0.000 0.447 598 A N -0.604 122.236 122.820 0.033 0.000 1.877 598 A HA -0.150 4.540 4.320 0.617 0.000 0.216 598 A C 2.250 179.889 177.584 0.092 0.000 1.186 598 A CA 1.856 53.920 52.037 0.045 0.000 0.620 598 A CB -0.502 18.503 19.000 0.008 0.000 0.822 598 A HN 0.570 nan 8.150 nan 0.000 0.443 599 R N -0.085 120.458 120.500 0.071 0.000 2.081 599 R HA -0.179 4.531 4.340 0.617 0.000 0.235 599 R C 2.001 178.452 176.300 0.251 0.000 1.131 599 R CA 1.927 58.118 56.100 0.152 0.000 0.960 599 R CB -0.296 30.051 30.300 0.079 0.000 0.856 599 R HN 0.665 nan 8.270 nan 0.000 0.436 600 E N -0.279 120.005 120.200 0.139 0.000 2.077 600 E HA -0.178 4.542 4.350 0.617 0.000 0.193 600 E C 1.913 178.564 176.600 0.085 0.000 0.989 600 E CA 1.342 57.803 56.400 0.101 0.000 0.800 600 E CB -0.104 29.630 29.700 0.057 0.000 0.746 600 E HN 0.494 nan 8.360 nan 0.000 0.452 601 A N 0.574 123.450 122.820 0.095 0.000 1.897 601 A HA -0.168 4.522 4.320 0.617 0.000 0.215 601 A C 1.891 179.520 177.584 0.076 0.000 1.181 601 A CA 1.147 53.223 52.037 0.065 0.000 0.620 601 A CB -0.969 18.068 19.000 0.062 0.000 0.821 601 A HN 0.537 nan 8.150 nan 0.000 0.443 602 W N 0.931 122.198 121.300 -0.055 0.000 2.335 602 W HA -0.210 4.821 4.660 0.618 0.000 0.311 602 W C 1.899 178.340 176.519 -0.131 0.000 1.213 602 W CA 2.124 59.417 57.345 -0.087 0.000 1.274 602 W CB -0.233 29.193 29.460 -0.057 0.000 1.148 602 W HN 0.445 nan 8.180 nan 0.000 0.498 603 E N -0.420 119.707 120.200 -0.120 0.000 2.051 603 E HA -0.290 4.430 4.350 0.617 0.000 0.192 603 E C 2.349 178.753 176.600 -0.328 0.000 0.991 603 E CA 1.781 57.958 56.400 -0.372 0.000 0.799 603 E CB -0.280 29.392 29.700 -0.047 0.000 0.748 603 E HN 0.271 nan 8.360 nan 0.000 0.449 604 Q N -0.469 119.229 119.800 -0.170 0.000 2.079 604 Q HA -0.099 4.611 4.340 0.617 0.000 0.200 604 Q C 2.141 178.036 176.000 -0.176 0.000 0.974 604 Q CA 1.448 57.170 55.803 -0.136 0.000 0.840 604 Q CB -0.247 28.451 28.738 -0.066 0.000 0.898 604 Q HN 0.275 nan 8.270 nan 0.000 0.430 605 A N 0.218 122.918 122.820 -0.201 0.000 2.014 605 A HA 0.234 4.924 4.320 0.617 0.000 0.218 605 A C 1.303 178.716 177.584 -0.285 0.000 1.163 605 A CA 1.359 53.282 52.037 -0.190 0.000 0.652 605 A CB -0.629 18.289 19.000 -0.136 0.000 0.808 605 A HN 0.448 nan 8.150 nan 0.000 0.449 606 G N -1.612 106.887 108.800 -0.501 0.000 2.564 606 G HA2 -0.241 4.089 3.960 0.617 0.000 0.273 606 G HA3 -0.241 4.089 3.960 0.617 0.000 0.273 606 G C -0.239 174.246 174.900 -0.693 0.000 1.242 606 G CA 0.426 45.119 45.100 -0.678 0.000 0.951 606 G HN 0.658 nan 8.290 nan 0.000 0.564 607 Y N 0.422 120.634 120.300 -0.146 0.000 2.509 607 Y HA 0.671 5.591 4.550 0.616 0.000 0.341 607 Y C 1.221 177.084 175.900 -0.061 0.000 1.038 607 Y CA -0.933 57.114 58.100 -0.089 0.000 1.089 607 Y CB 1.204 39.633 38.460 -0.052 0.000 1.241 607 Y HN 0.600 nan 8.280 nan 0.000 0.468 608 R N 2.729 123.298 120.500 0.115 0.000 2.522 608 R HA 0.226 4.936 4.340 0.617 0.000 0.284 608 R C -0.163 176.179 176.300 0.069 0.000 1.032 608 R CA -0.215 55.912 56.100 0.045 0.000 1.049 608 R CB 0.138 30.434 30.300 -0.007 0.000 0.956 608 R HN 0.681 nan 8.270 nan 0.000 0.422 609 I N 0.617 121.215 120.570 0.047 0.000 2.581 609 I HA 0.318 4.858 4.170 0.617 0.000 0.288 609 I C -2.074 174.087 176.117 0.073 0.000 1.047 609 I CA -2.607 58.727 61.300 0.057 0.000 1.374 609 I CB 0.643 38.663 38.000 0.034 0.000 1.423 609 I HN 0.312 nan 8.210 nan 0.000 0.549 610 P HA 0.097 nan 4.420 nan 0.000 0.261 610 P C -0.921 176.435 177.300 0.093 0.000 1.173 610 P CA 0.291 63.502 63.100 0.184 0.000 0.760 610 P CB 0.389 32.217 31.700 0.214 0.000 0.783 611 L N 2.073 123.333 121.223 0.062 0.000 2.401 611 L HA 0.360 5.070 4.340 0.617 0.000 0.266 611 L C 0.160 177.037 176.870 0.011 0.000 0.991 611 L CA -0.973 53.881 54.840 0.024 0.000 0.818 611 L CB 2.235 44.293 42.059 -0.001 0.000 1.321 611 L HN 0.254 nan 8.230 nan 0.000 0.413 612 S N 2.110 117.816 115.700 0.010 0.000 2.575 612 S HA 0.233 5.073 4.470 0.617 0.000 0.295 612 S C 1.167 175.754 174.600 -0.022 0.000 1.267 612 S CA 1.068 59.270 58.200 0.002 0.000 1.074 612 S CB 0.175 63.377 63.200 0.003 0.000 0.829 612 S HN 1.168 nan 8.310 nan 0.000 0.497 613 G N 3.195 111.973 108.800 -0.037 0.000 2.189 613 G HA2 -0.273 4.057 3.960 0.617 0.000 0.267 613 G HA3 -0.273 4.057 3.960 0.617 0.000 0.267 613 G C 0.621 175.470 174.900 -0.086 0.000 0.975 613 G CA 0.418 45.483 45.100 -0.059 0.000 0.644 613 G HN 0.917 nan 8.290 nan 0.000 0.537 614 C N 0.339 119.581 119.300 -0.097 0.000 3.491 614 C HA 0.636 5.466 4.460 0.617 0.000 0.298 614 C C 2.117 176.996 174.990 -0.185 0.000 1.424 614 C CA 0.139 59.086 59.018 -0.117 0.000 1.772 614 C CB -0.694 26.999 27.740 -0.080 0.000 2.447 614 C HN 1.892 nan 8.230 nan 0.000 0.670 615 G N 1.355 109.990 108.800 -0.274 0.000 2.581 615 G HA2 0.231 4.561 3.960 0.617 0.000 0.291 615 G HA3 0.231 4.561 3.960 0.617 0.000 0.291 615 G C 0.020 174.769 174.900 -0.251 0.000 1.277 615 G CA 0.232 45.000 45.100 -0.552 0.000 0.959 615 G HN 1.375 nan 8.290 nan 0.000 0.554 616 G N -3.886 104.806 108.800 -0.179 0.000 2.523 616 G HA2 0.712 5.042 3.960 0.617 0.000 0.291 616 G HA3 0.712 5.042 3.960 0.617 0.000 0.291 616 G C 0.907 175.893 174.900 0.144 0.000 1.450 616 G CA 1.170 46.339 45.100 0.116 0.000 0.790 616 G HN 2.623 nan 8.290 nan 0.000 0.496 617 G N -1.183 107.681 108.800 0.107 0.000 2.195 617 G HA2 -0.190 4.140 3.960 0.617 0.000 0.246 617 G HA3 -0.190 4.140 3.960 0.617 0.000 0.246 617 G C 0.317 175.257 174.900 0.066 0.000 0.984 617 G CA 0.852 46.001 45.100 0.082 0.000 0.633 617 G HN 0.959 nan 8.290 nan 0.000 0.525 618 Q N 1.664 121.391 119.800 -0.121 0.000 2.313 618 Q HA 0.526 5.236 4.340 0.617 0.000 0.266 618 Q C 0.814 176.891 176.000 0.128 0.000 0.989 618 Q CA 0.509 56.188 55.803 -0.207 0.000 0.890 618 Q CB 1.187 29.622 28.738 -0.505 0.000 1.200 618 Q HN 0.750 nan 8.270 nan 0.000 0.396 619 S N 1.989 117.861 115.700 0.287 0.000 2.537 619 S HA 0.076 4.916 4.470 0.617 0.000 0.286 619 S C 0.825 175.447 174.600 0.037 0.000 1.299 619 S CA -0.380 57.912 58.200 0.152 0.000 1.067 619 S CB 0.292 63.675 63.200 0.304 0.000 0.864 619 S HN 0.652 nan 8.310 nan 0.000 0.494 620 I N 1.631 122.168 120.570 -0.056 0.000 2.394 620 I HA -0.031 4.509 4.170 0.617 0.000 0.251 620 I C 1.143 177.260 176.117 -0.001 0.000 1.136 620 I CA 1.063 62.338 61.300 -0.041 0.000 1.425 620 I CB -0.080 37.875 38.000 -0.075 0.000 1.079 620 I HN 0.600 nan 8.210 nan 0.000 0.425 621 K N 1.205 121.623 120.400 0.029 0.000 2.259 621 K HA 0.372 5.062 4.320 0.617 0.000 0.249 621 K C -2.468 174.259 176.600 0.211 0.000 0.942 621 K CA -1.945 54.401 56.287 0.098 0.000 0.816 621 K CB 1.656 34.207 32.500 0.085 0.000 1.155 621 K HN -0.235 nan 8.250 nan 0.000 0.428 622 P HA -0.013 nan 4.420 nan 0.000 0.271 622 P C 0.157 177.511 177.300 0.091 0.000 1.216 622 P CA -0.285 62.890 63.100 0.126 0.000 0.771 622 P CB 0.860 32.606 31.700 0.077 0.000 0.864 623 L N 3.874 125.062 121.223 -0.059 0.000 2.072 623 L HA 0.120 4.830 4.340 0.617 0.000 0.205 623 L C 1.392 178.177 176.870 -0.140 0.000 1.079 623 L CA 2.501 57.162 54.840 -0.299 0.000 0.752 623 L CB -1.368 40.243 42.059 -0.746 0.000 0.906 623 L HN 0.819 nan 8.230 nan 0.000 0.436 624 G N -1.250 107.515 108.800 -0.059 0.000 2.601 624 G HA2 0.041 4.371 3.960 0.617 0.000 0.261 624 G HA3 0.041 4.371 3.960 0.617 0.000 0.261 624 G C 0.959 175.826 174.900 -0.054 0.000 1.289 624 G CA 0.072 45.162 45.100 -0.016 0.000 0.920 624 G HN 1.468 nan 8.290 nan 0.000 0.571 625 G N -2.205 106.557 108.800 -0.063 0.000 2.217 625 G HA2 -0.082 4.248 3.960 0.617 0.000 0.246 625 G HA3 -0.082 4.248 3.960 0.617 0.000 0.246 625 G C 0.301 175.114 174.900 -0.146 0.000 0.990 625 G CA 0.960 46.003 45.100 -0.096 0.000 0.627 625 G HN 1.649 nan 8.290 nan 0.000 0.522 626 I N 1.030 121.487 120.570 -0.188 0.000 2.533 626 I HA 0.386 4.926 4.170 0.617 0.000 0.290 626 I C -1.102 174.726 176.117 -0.481 0.000 1.056 626 I CA -0.930 60.123 61.300 -0.413 0.000 1.057 626 I CB 2.116 39.703 38.000 -0.688 0.000 1.240 626 I HN 0.048 nan 8.210 nan 0.000 0.423 627 D N 5.193 125.333 120.400 -0.433 0.000 2.339 627 D HA 0.237 5.246 4.640 0.617 0.000 0.241 627 D C -0.111 175.955 176.300 -0.391 0.000 1.183 627 D CA 0.158 53.987 54.000 -0.284 0.000 0.859 627 D CB 0.549 41.261 40.800 -0.147 0.000 1.067 627 D HN 0.262 nan 8.370 nan 0.000 0.484 628 F N 2.447 122.353 119.950 -0.073 0.000 2.664 628 F HA 0.328 5.224 4.527 0.614 0.000 0.303 628 F C 1.851 177.545 175.800 -0.177 0.000 1.092 628 F CA 0.349 58.276 58.000 -0.122 0.000 1.305 628 F CB 0.176 39.118 39.000 -0.096 0.000 1.054 628 F HN 0.636 nan 8.300 nan 0.000 0.565 629 G N 0.321 109.110 108.800 -0.018 0.000 2.550 629 G HA2 -0.261 4.069 3.960 0.617 0.000 0.277 629 G HA3 -0.261 4.069 3.960 0.617 0.000 0.277 629 G C -0.127 174.743 174.900 -0.049 0.000 1.190 629 G CA -0.550 44.462 45.100 -0.147 0.000 0.971 629 G HN 0.110 nan 8.290 nan 0.000 0.559 630 E N 2.832 122.941 120.200 -0.153 0.000 2.366 630 E HA 0.275 4.995 4.350 0.617 0.000 0.266 630 E C -1.633 174.974 176.600 0.012 0.000 1.015 630 E CA -0.764 55.624 56.400 -0.020 0.000 0.906 630 E CB 0.640 30.329 29.700 -0.019 0.000 0.979 630 E HN 0.399 nan 8.360 nan 0.000 0.443 631 P HA 0.054 nan 4.420 nan 0.000 0.271 631 P C -0.397 176.965 177.300 0.104 0.000 1.218 631 P CA -0.207 62.938 63.100 0.076 0.000 0.780 631 P CB 0.669 32.418 31.700 0.081 0.000 0.901 632 V N 4.464 124.457 119.914 0.130 0.000 2.311 632 V HA 0.182 4.672 4.120 0.617 0.000 0.275 632 V C 0.725 176.906 176.094 0.144 0.000 1.022 632 V CA -0.643 61.769 62.300 0.188 0.000 0.830 632 V CB 0.621 32.628 31.823 0.306 0.000 1.012 632 V HN 0.399 nan 8.190 nan 0.000 0.452 633 L N 5.521 126.813 121.223 0.115 0.000 2.453 633 L HA 0.288 4.998 4.340 0.617 0.000 0.272 633 L C 1.040 177.926 176.870 0.026 0.000 1.182 633 L CA -0.060 54.825 54.840 0.076 0.000 0.858 633 L CB 0.104 42.215 42.059 0.086 0.000 1.120 633 L HN 0.780 nan 8.230 nan 0.000 0.474 634 N N -0.105 118.611 118.700 0.028 0.000 2.741 634 N HA -0.154 4.956 4.740 0.617 0.000 0.250 634 N C 0.207 175.734 175.510 0.030 0.000 1.115 634 N CA 1.093 54.148 53.050 0.009 0.000 0.724 634 N CB -1.630 36.782 38.487 -0.125 0.000 1.090 634 N HN 0.893 nan 8.380 nan 0.000 0.558 635 T N -0.649 113.902 114.554 -0.005 0.000 2.940 635 T HA 0.328 5.048 4.350 0.617 0.000 0.309 635 T C 0.127 174.792 174.700 -0.059 0.000 1.056 635 T CA -0.102 61.904 62.100 -0.157 0.000 1.137 635 T CB 0.680 69.451 68.868 -0.161 0.000 0.976 635 T HN 0.353 nan 8.240 nan 0.000 0.547 636 Y N -0.370 119.750 120.300 -0.301 0.000 2.571 636 Y HA 0.717 5.638 4.550 0.618 0.000 0.341 636 Y C -3.269 172.330 175.900 -0.501 0.000 1.076 636 Y CA -3.509 54.328 58.100 -0.437 0.000 1.029 636 Y CB 0.699 39.000 38.460 -0.265 0.000 1.308 636 Y HN 0.462 nan 8.280 nan 0.000 0.461 637 P HA 0.082 nan 4.420 nan 0.000 0.279 637 P C 0.840 178.045 177.300 -0.159 0.000 1.239 637 P CA -0.291 62.584 63.100 -0.374 0.000 0.789 637 P CB 2.012 33.505 31.700 -0.345 0.000 0.933 638 V N -0.188 119.622 119.914 -0.172 0.000 2.970 638 V HA -0.037 4.453 4.120 0.617 0.000 0.260 638 V C 0.443 176.563 176.094 0.042 0.000 1.100 638 V CA 1.355 63.635 62.300 -0.032 0.000 1.122 638 V CB -1.763 30.010 31.823 -0.083 0.000 0.721 638 V HN 0.758 nan 8.190 nan 0.000 0.483 639 N N -1.893 116.812 118.700 0.009 0.000 3.116 639 N HA 0.220 5.330 4.740 0.617 0.000 0.244 639 N C -0.230 175.287 175.510 0.012 0.000 1.485 639 N CA -0.406 52.661 53.050 0.029 0.000 0.884 639 N CB 0.815 39.321 38.487 0.030 0.000 1.415 639 N HN -0.022 nan 8.380 nan 0.000 0.524 640 E N -0.994 119.221 120.200 0.025 0.000 2.489 640 E HA 0.138 4.858 4.350 0.617 0.000 0.193 640 E C 0.033 176.642 176.600 0.014 0.000 1.057 640 E CA 0.289 56.700 56.400 0.019 0.000 0.866 640 E CB -0.318 29.397 29.700 0.026 0.000 0.916 640 E HN 0.521 nan 8.360 nan 0.000 0.500 641 N N -0.305 118.406 118.700 0.018 0.000 2.422 641 N HA -0.012 5.098 4.740 0.617 0.000 0.181 641 N C -0.165 175.365 175.510 0.033 0.000 1.080 641 N CA -0.163 52.903 53.050 0.027 0.000 0.893 641 N CB 0.667 39.173 38.487 0.030 0.000 0.973 641 N HN -0.123 nan 8.380 nan 0.000 0.456 642 V N 1.337 121.260 119.914 0.016 0.000 2.715 642 V HA 0.025 4.515 4.120 0.617 0.000 0.299 642 V C 0.506 176.607 176.094 0.012 0.000 1.054 642 V CA 0.078 62.385 62.300 0.011 0.000 1.077 642 V CB 1.263 33.068 31.823 -0.030 0.000 0.972 642 V HN 0.130 nan 8.190 nan 0.000 0.484 643 T N 6.613 121.180 114.554 0.021 0.000 2.727 643 T HA 0.457 5.177 4.350 0.617 0.000 0.298 643 T C -0.112 174.571 174.700 -0.028 0.000 0.942 643 T CA -0.253 61.852 62.100 0.010 0.000 0.997 643 T CB 0.041 68.918 68.868 0.016 0.000 0.917 643 T HN 0.354 nan 8.240 nan 0.000 0.487 644 L N 4.584 125.804 121.223 -0.005 0.000 2.319 644 L HA 0.343 5.053 4.340 0.617 0.000 0.280 644 L C 1.122 177.990 176.870 -0.003 0.000 1.099 644 L CA -0.400 54.442 54.840 0.004 0.000 0.828 644 L CB 0.756 42.850 42.059 0.058 0.000 1.150 644 L HN 0.618 nan 8.230 nan 0.000 0.442 645 L N 2.425 123.620 121.223 -0.046 0.000 2.388 645 L HA 0.239 4.949 4.340 0.617 0.000 0.209 645 L C 0.471 177.330 176.870 -0.018 0.000 1.061 645 L CA 0.294 55.093 54.840 -0.068 0.000 0.834 645 L CB 0.048 42.017 42.059 -0.150 0.000 1.029 645 L HN 0.543 nan 8.230 nan 0.000 0.473 646 R N 0.532 121.032 120.500 0.001 0.000 2.514 646 R HA 0.614 5.324 4.340 0.617 0.000 0.296 646 R C -1.092 175.220 176.300 0.019 0.000 1.012 646 R CA -0.269 55.841 56.100 0.018 0.000 0.897 646 R CB 1.817 32.166 30.300 0.080 0.000 1.184 646 R HN -0.041 nan 8.270 nan 0.000 0.440 647 A N 2.972 125.859 122.820 0.112 0.000 3.370 647 A HA 0.309 4.999 4.320 0.617 0.000 0.295 647 A C -0.826 176.882 177.584 0.206 0.000 1.030 647 A CA -0.687 51.466 52.037 0.194 0.000 0.883 647 A CB 0.252 19.457 19.000 0.342 0.000 1.191 647 A HN 0.434 nan 8.150 nan 0.000 0.507 648 D N 0.035 120.513 120.400 0.130 0.000 2.253 648 D HA 0.492 5.502 4.640 0.617 0.000 0.249 648 D C 1.219 177.574 176.300 0.093 0.000 1.049 648 D CA 1.086 55.158 54.000 0.120 0.000 0.929 648 D CB 1.446 42.305 40.800 0.098 0.000 1.176 648 D HN 0.913 nan 8.370 nan 0.000 0.437 649 G N 0.617 109.460 108.800 0.072 0.000 2.249 649 G HA2 -0.111 4.219 3.960 0.617 0.000 0.273 649 G HA3 -0.111 4.219 3.960 0.617 0.000 0.273 649 G C 0.963 175.877 174.900 0.023 0.000 1.036 649 G CA 0.649 45.776 45.100 0.045 0.000 0.824 649 G HN 1.232 nan 8.290 nan 0.000 0.504 650 G N -1.596 107.195 108.800 -0.014 0.000 2.147 650 G HA2 0.075 4.405 3.960 0.617 0.000 0.244 650 G HA3 0.075 4.405 3.960 0.617 0.000 0.244 650 G C 0.192 175.109 174.900 0.028 0.000 1.005 650 G CA 1.508 46.538 45.100 -0.118 0.000 0.713 650 G HN 2.179 nan 8.290 nan 0.000 0.515 651 Q N -1.967 117.940 119.800 0.179 0.000 2.648 651 Q HA 0.710 5.420 4.340 0.617 0.000 0.300 651 Q C -1.183 174.977 176.000 0.267 0.000 0.954 651 Q CA -1.078 54.897 55.803 0.286 0.000 0.757 651 Q CB 1.775 30.603 28.738 0.150 0.000 1.482 651 Q HN 0.472 nan 8.270 nan 0.000 0.437 652 V N 1.437 121.450 119.914 0.164 0.000 2.427 652 V HA 0.192 4.682 4.120 0.617 0.000 0.286 652 V C -0.238 175.891 176.094 0.059 0.000 1.034 652 V CA -0.273 62.078 62.300 0.084 0.000 0.893 652 V CB 1.235 33.043 31.823 -0.025 0.000 0.982 652 V HN 0.833 nan 8.190 nan 0.000 0.452 653 Q N 2.818 122.535 119.800 -0.139 0.000 2.422 653 Q HA 0.429 5.139 4.340 0.617 0.000 0.255 653 Q C -0.408 175.240 176.000 -0.587 0.000 0.864 653 Q CA 0.144 55.609 55.803 -0.563 0.000 0.968 653 Q CB 0.964 28.940 28.738 -1.270 0.000 1.130 653 Q HN 0.562 nan 8.270 nan 0.000 0.556 654 L N 0.073 121.133 121.223 -0.272 0.000 2.516 654 L HA 0.823 5.533 4.340 0.617 0.000 0.267 654 L C -2.043 174.810 176.870 -0.027 0.000 0.957 654 L CA -0.556 54.209 54.840 -0.126 0.000 0.860 654 L CB 1.787 43.826 42.059 -0.033 0.000 1.265 654 L HN -0.012 nan 8.230 nan 0.000 0.403 655 A N 2.435 125.268 122.820 0.021 0.000 2.594 655 A HA 0.852 5.542 4.320 0.617 0.000 0.295 655 A C -1.143 176.449 177.584 0.013 0.000 1.071 655 A CA -0.368 51.674 52.037 0.008 0.000 0.685 655 A CB 2.013 21.032 19.000 0.031 0.000 1.285 655 A HN 0.593 nan 8.150 nan 0.000 0.405 656 T N 0.366 114.912 114.554 -0.013 0.000 2.900 656 T HA 0.662 5.382 4.350 0.617 0.000 0.295 656 T C -1.315 173.437 174.700 0.087 0.000 1.044 656 T CA -0.476 61.653 62.100 0.049 0.000 0.995 656 T CB 1.038 69.924 68.868 0.031 0.000 1.072 656 T HN 0.854 nan 8.240 nan 0.000 0.473 657 N N 2.509 121.284 118.700 0.123 0.000 2.397 657 N HA 0.355 5.465 4.740 0.617 0.000 0.291 657 N C -1.686 173.916 175.510 0.153 0.000 1.065 657 N CA -0.557 52.567 53.050 0.123 0.000 0.884 657 N CB 1.508 40.056 38.487 0.102 0.000 1.551 657 N HN 0.455 nan 8.380 nan 0.000 0.487 658 D N 1.741 122.230 120.400 0.148 0.000 2.350 658 D HA 0.109 5.119 4.640 0.617 0.000 0.249 658 D C -0.921 175.500 176.300 0.202 0.000 1.119 658 D CA 0.753 54.844 54.000 0.152 0.000 0.886 658 D CB 0.645 41.516 40.800 0.118 0.000 1.195 658 D HN 0.464 nan 8.370 nan 0.000 0.437 659 Y N 1.445 121.767 120.300 0.036 0.000 2.422 659 Y HA 0.384 5.305 4.550 0.618 0.000 0.344 659 Y C 0.700 176.599 175.900 -0.001 0.000 1.097 659 Y CA 0.171 58.281 58.100 0.017 0.000 1.307 659 Y CB 0.519 38.990 38.460 0.018 0.000 1.102 659 Y HN 0.665 nan 8.280 nan 0.000 0.520 660 G N 3.878 112.582 108.800 -0.159 0.000 2.556 660 G HA2 -0.387 3.943 3.960 0.617 0.000 0.283 660 G HA3 -0.387 3.943 3.960 0.617 0.000 0.283 660 G C 0.921 175.791 174.900 -0.050 0.000 1.177 660 G CA 0.594 45.616 45.100 -0.129 0.000 0.978 660 G HN 0.588 nan 8.290 nan 0.000 0.554 661 K N 1.240 121.601 120.400 -0.064 0.000 2.296 661 K HA 0.216 4.906 4.320 0.617 0.000 0.200 661 K C 1.665 178.260 176.600 -0.009 0.000 1.048 661 K CA 0.674 56.903 56.287 -0.097 0.000 0.966 661 K CB -0.140 32.277 32.500 -0.138 0.000 0.754 661 K HN 0.676 nan 8.250 nan 0.000 0.466 662 G N 0.500 109.326 108.800 0.042 0.000 2.531 662 G HA2 0.472 4.802 3.960 0.617 0.000 0.313 662 G HA3 0.472 4.802 3.960 0.617 0.000 0.313 662 G C -0.789 174.189 174.900 0.131 0.000 1.238 662 G CA -0.599 44.540 45.100 0.065 0.000 0.994 662 G HN 0.057 nan 8.290 nan 0.000 0.493 663 R N -1.604 118.931 120.500 0.059 0.000 2.795 663 R HA 0.594 5.304 4.340 0.617 0.000 0.275 663 R C -0.437 175.920 176.300 0.094 0.000 0.981 663 R CA -0.699 55.441 56.100 0.067 0.000 0.917 663 R CB 2.461 32.734 30.300 -0.046 0.000 1.202 663 R HN 0.709 nan 8.270 nan 0.000 0.469 664 G N 0.643 109.513 108.800 0.116 0.000 2.448 664 G HA2 0.590 4.920 3.960 0.617 0.000 0.324 664 G HA3 0.590 4.920 3.960 0.617 0.000 0.324 664 G C -1.298 173.687 174.900 0.141 0.000 1.203 664 G CA -0.382 44.806 45.100 0.147 0.000 0.954 664 G HN 0.278 nan 8.290 nan 0.000 0.480 665 V N 1.356 121.352 119.914 0.137 0.000 2.709 665 V HA 0.410 4.900 4.120 0.617 0.000 0.308 665 V C -1.401 174.766 176.094 0.120 0.000 1.062 665 V CA -0.862 61.502 62.300 0.106 0.000 0.901 665 V CB 1.808 33.673 31.823 0.071 0.000 1.003 665 V HN 0.751 nan 8.190 nan 0.000 0.425 666 Y N 5.489 125.785 120.300 -0.006 0.000 2.341 666 Y HA 0.765 5.686 4.550 0.618 0.000 0.337 666 Y C -0.474 175.402 175.900 -0.040 0.000 1.014 666 Y CA -0.924 57.164 58.100 -0.020 0.000 1.111 666 Y CB 1.327 39.790 38.460 0.005 0.000 1.194 666 Y HN 0.528 nan 8.280 nan 0.000 0.462 667 I N 5.397 125.490 120.570 -0.795 0.000 2.466 667 I HA 0.206 4.746 4.170 0.617 0.000 0.289 667 I C 0.671 176.178 176.117 -1.016 0.000 1.026 667 I CA -0.538 60.370 61.300 -0.653 0.000 1.078 667 I CB 2.341 40.188 38.000 -0.255 0.000 1.249 667 I HN 0.760 nan 8.210 nan 0.000 0.429 668 S N 3.414 118.642 115.700 -0.787 0.000 2.414 668 S HA 0.255 5.095 4.470 0.617 0.000 0.227 668 S C 0.789 175.253 174.600 -0.227 0.000 1.022 668 S CA 0.457 58.388 58.200 -0.449 0.000 0.958 668 S CB 0.215 63.331 63.200 -0.140 0.000 0.797 668 S HN 0.904 nan 8.310 nan 0.000 0.493 669 G N -0.274 108.427 108.800 -0.166 0.000 2.506 669 G HA2 0.553 4.883 3.960 0.617 0.000 0.292 669 G HA3 0.553 4.883 3.960 0.617 0.000 0.292 669 G C -2.180 172.647 174.900 -0.122 0.000 1.425 669 G CA -0.782 44.177 45.100 -0.235 0.000 0.788 669 G HN 0.505 nan 8.290 nan 0.000 0.490 670 L N 0.947 122.019 121.223 -0.252 0.000 2.440 670 L HA 0.448 5.158 4.340 0.617 0.000 0.261 670 L C -2.588 174.178 176.870 -0.174 0.000 1.382 670 L CA -1.090 53.650 54.840 -0.167 0.000 0.871 670 L CB 1.955 43.949 42.059 -0.108 0.000 1.052 670 L HN 0.271 nan 8.230 nan 0.000 0.509 671 P HA -0.018 nan 4.420 nan 0.000 0.266 671 P C -1.246 176.075 177.300 0.036 0.000 1.195 671 P CA 0.237 63.314 63.100 -0.038 0.000 0.768 671 P CB 0.168 31.899 31.700 0.052 0.000 0.838 672 Y N 3.399 123.719 120.300 0.032 0.000 2.526 672 Y HA 0.340 5.267 4.550 0.629 0.000 0.330 672 Y C 0.337 176.243 175.900 0.010 0.000 1.156 672 Y CA 0.839 58.951 58.100 0.020 0.000 1.419 672 Y CB 0.235 38.727 38.460 0.053 0.000 1.250 672 Y HN 0.539 nan 8.280 nan 0.000 0.540 673 S N 3.293 118.456 115.700 -0.896 0.000 2.643 673 S HA 0.691 5.531 4.470 0.617 0.000 0.270 673 S C 0.264 174.381 174.600 -0.805 0.000 1.166 673 S CA -0.594 57.096 58.200 -0.850 0.000 0.815 673 S CB 0.813 63.794 63.200 -0.366 0.000 1.139 673 S HN 0.950 nan 8.310 nan 0.000 0.472 674 A N 0.979 123.512 122.820 -0.478 0.000 1.877 674 A HA 0.286 4.976 4.320 0.617 0.000 0.216 674 A C 2.345 179.813 177.584 -0.195 0.000 1.186 674 A CA 2.175 54.057 52.037 -0.259 0.000 0.620 674 A CB -1.707 17.206 19.000 -0.145 0.000 0.822 674 A HN 1.626 nan 8.150 nan 0.000 0.443 675 A N 0.183 122.886 122.820 -0.196 0.000 1.902 675 A HA -0.208 4.482 4.320 0.617 0.000 0.217 675 A C 1.909 179.390 177.584 -0.170 0.000 1.181 675 A CA 1.957 53.896 52.037 -0.164 0.000 0.623 675 A CB -0.618 18.282 19.000 -0.167 0.000 0.818 675 A HN 0.539 nan 8.150 nan 0.000 0.443 676 N N 0.158 118.733 118.700 -0.209 0.000 2.270 676 N HA 0.009 5.119 4.740 0.617 0.000 0.181 676 N C 1.788 177.237 175.510 -0.102 0.000 1.016 676 N CA 1.338 54.281 53.050 -0.178 0.000 0.870 676 N CB -0.527 37.841 38.487 -0.198 0.000 0.979 676 N HN 0.458 nan 8.380 nan 0.000 0.431 677 A N 0.988 123.750 122.820 -0.097 0.000 1.930 677 A HA -0.108 4.582 4.320 0.617 0.000 0.217 677 A C 2.273 179.876 177.584 0.031 0.000 1.175 677 A CA 1.382 53.429 52.037 0.017 0.000 0.627 677 A CB -0.343 18.706 19.000 0.082 0.000 0.815 677 A HN 0.133 nan 8.150 nan 0.000 0.443 678 R N -0.271 120.225 120.500 -0.007 0.000 2.066 678 R HA -0.070 4.640 4.340 0.617 0.000 0.232 678 R C 1.862 178.158 176.300 -0.006 0.000 1.131 678 R CA 1.683 57.791 56.100 0.013 0.000 0.955 678 R CB -1.135 29.150 30.300 -0.025 0.000 0.851 678 R HN 0.396 nan 8.270 nan 0.000 0.432 679 L N 0.168 121.361 121.223 -0.051 0.000 1.997 679 L HA -0.169 4.541 4.340 0.617 0.000 0.216 679 L C 2.113 178.988 176.870 0.009 0.000 1.074 679 L CA 1.902 56.711 54.840 -0.051 0.000 0.763 679 L CB -0.835 41.169 42.059 -0.092 0.000 0.890 679 L HN 0.379 nan 8.230 nan 0.000 0.434 680 L N -0.408 120.827 121.223 0.021 0.000 2.017 680 L HA -0.228 4.482 4.340 0.617 0.000 0.208 680 L C 2.485 179.423 176.870 0.113 0.000 1.073 680 L CA 2.100 56.970 54.840 0.050 0.000 0.745 680 L CB -0.828 41.254 42.059 0.037 0.000 0.894 680 L HN 0.497 nan 8.230 nan 0.000 0.432 681 E N -0.686 119.609 120.200 0.158 0.000 2.070 681 E HA -0.297 4.423 4.350 0.617 0.000 0.197 681 E C 2.355 179.211 176.600 0.428 0.000 1.004 681 E CA 1.572 58.152 56.400 0.301 0.000 0.805 681 E CB -0.072 29.831 29.700 0.338 0.000 0.744 681 E HN 0.449 nan 8.360 nan 0.000 0.451 682 R N -0.242 120.414 120.500 0.259 0.000 2.081 682 R HA -0.131 4.579 4.340 0.617 0.000 0.235 682 R C 2.463 179.011 176.300 0.413 0.000 1.131 682 R CA 1.334 57.593 56.100 0.265 0.000 0.960 682 R CB -0.302 29.926 30.300 -0.121 0.000 0.856 682 R HN 0.117 nan 8.270 nan 0.000 0.436 683 V N 1.643 121.699 119.914 0.237 0.000 2.282 683 V HA -0.278 4.212 4.120 0.617 0.000 0.249 683 V C 2.284 178.506 176.094 0.213 0.000 1.057 683 V CA 1.823 64.243 62.300 0.200 0.000 1.032 683 V CB -0.446 31.433 31.823 0.093 0.000 0.645 683 V HN 0.297 nan 8.190 nan 0.000 0.447 684 L N -1.590 119.736 121.223 0.173 0.000 2.017 684 L HA -0.164 4.546 4.340 0.617 0.000 0.208 684 L C 2.438 179.318 176.870 0.017 0.000 1.073 684 L CA 1.782 56.653 54.840 0.052 0.000 0.745 684 L CB -0.738 41.298 42.059 -0.039 0.000 0.894 684 L HN 0.230 nan 8.230 nan 0.000 0.432 685 F N -1.127 118.936 119.950 0.188 0.000 2.134 685 F HA -0.263 4.634 4.527 0.617 0.000 0.299 685 F C 2.570 178.368 175.800 -0.003 0.000 1.097 685 F CA 1.658 59.746 58.000 0.148 0.000 1.264 685 F CB -0.662 38.521 39.000 0.305 0.000 1.001 685 F HN -0.039 nan 8.300 nan 0.000 0.479 686 Y N 0.537 120.882 120.300 0.075 0.000 2.133 686 Y HA -0.160 4.759 4.550 0.616 0.000 0.287 686 Y C 2.418 178.218 175.900 -0.167 0.000 1.134 686 Y CA 1.331 59.330 58.100 -0.169 0.000 1.133 686 Y CB -0.747 37.706 38.460 -0.011 0.000 0.987 686 Y HN -0.033 nan 8.280 nan 0.000 0.502 687 A N -0.375 122.496 122.820 0.084 0.000 1.978 687 A HA -0.207 4.483 4.320 0.617 0.000 0.220 687 A C 2.143 179.637 177.584 -0.150 0.000 1.170 687 A CA 2.030 54.054 52.037 -0.021 0.000 0.636 687 A CB -1.218 17.829 19.000 0.078 0.000 0.810 687 A HN 0.568 nan 8.150 nan 0.000 0.448 688 S N -2.225 113.406 115.700 -0.116 0.000 2.660 688 S HA 0.121 4.961 4.470 0.617 0.000 0.227 688 S C 0.383 174.954 174.600 -0.049 0.000 0.948 688 S CA 0.231 58.380 58.200 -0.086 0.000 0.948 688 S CB -0.588 62.572 63.200 -0.065 0.000 0.779 688 S HN 0.574 nan 8.310 nan 0.000 0.487 689 H N 0.659 119.611 119.070 -0.198 0.000 2.791 689 H HA -0.141 4.785 4.556 0.617 0.000 0.302 689 H C -0.467 174.783 175.328 -0.130 0.000 1.198 689 H CA 1.048 56.964 56.048 -0.220 0.000 1.145 689 H CB -2.101 27.552 29.762 -0.181 0.000 1.385 689 H HN 0.676 nan 8.280 nan 0.000 0.409 690 N N 0.008 118.703 118.700 -0.008 0.000 2.338 690 N HA 0.048 5.158 4.740 0.617 0.000 0.251 690 N C 1.061 176.672 175.510 0.169 0.000 1.199 690 N CA -0.177 52.946 53.050 0.122 0.000 0.879 690 N CB 0.578 39.181 38.487 0.195 0.000 1.159 690 N HN 0.288 nan 8.380 nan 0.000 0.514 691 E N 0.852 121.000 120.200 -0.088 0.000 2.097 691 E HA -0.250 4.470 4.350 0.617 0.000 0.196 691 E C 1.383 177.987 176.600 0.007 0.000 1.000 691 E CA 1.461 57.707 56.400 -0.258 0.000 0.804 691 E CB -0.040 29.360 29.700 -0.500 0.000 0.740 691 E HN 0.495 nan 8.360 nan 0.000 0.454 692 D N 0.325 120.736 120.400 0.019 0.000 2.348 692 D HA -0.157 4.853 4.640 0.617 0.000 0.216 692 D C 1.423 177.757 176.300 0.055 0.000 0.970 692 D CA 0.776 54.800 54.000 0.039 0.000 0.889 692 D CB -0.040 40.769 40.800 0.015 0.000 0.912 692 D HN 0.108 nan 8.370 nan 0.000 0.524 693 K N -1.197 119.273 120.400 0.117 0.000 2.361 693 K HA -0.036 4.654 4.320 0.617 0.000 0.194 693 K C 1.562 178.164 176.600 0.003 0.000 1.032 693 K CA -0.283 56.087 56.287 0.138 0.000 1.048 693 K CB 0.012 32.685 32.500 0.288 0.000 0.842 693 K HN 0.038 nan 8.250 nan 0.000 0.526 694 Y N 1.078 121.225 120.300 -0.256 0.000 2.114 694 Y HA -0.251 4.668 4.550 0.615 0.000 0.284 694 Y C 1.991 177.638 175.900 -0.422 0.000 1.143 694 Y CA 1.943 59.614 58.100 -0.715 0.000 1.135 694 Y CB -0.493 37.779 38.460 -0.312 0.000 0.980 694 Y HN 0.072 nan 8.280 nan 0.000 0.499 695 A N 1.307 123.945 122.820 -0.304 0.000 1.948 695 A HA -0.017 4.673 4.320 0.617 0.000 0.220 695 A C 1.628 178.946 177.584 -0.444 0.000 1.177 695 A CA 1.042 52.864 52.037 -0.359 0.000 0.636 695 A CB -1.707 17.211 19.000 -0.136 0.000 0.815 695 A HN 0.602 nan 8.150 nan 0.000 0.449 696 A N -1.938 120.638 122.820 -0.406 0.000 2.524 696 A HA 0.355 5.045 4.320 0.617 0.000 0.250 696 A C 0.164 177.461 177.584 -0.478 0.000 1.078 696 A CA 0.209 51.911 52.037 -0.558 0.000 0.761 696 A CB -1.147 17.563 19.000 -0.483 0.000 1.012 696 A HN 0.968 nan 8.150 nan 0.000 0.500 697 W N 1.017 122.120 121.300 -0.330 0.000 5.563 697 W HA -0.212 4.818 4.660 0.617 0.000 0.396 697 W C 0.733 177.073 176.519 -0.298 0.000 1.519 697 W CA 0.554 57.693 57.345 -0.344 0.000 0.953 697 W CB -2.073 27.207 29.460 -0.301 0.000 2.691 697 W HN 1.109 nan 8.180 nan 0.000 1.444 698 S N -1.274 114.301 115.700 -0.209 0.000 2.671 698 S HA 0.840 5.680 4.470 0.617 0.000 0.299 698 S C -0.450 174.049 174.600 -0.169 0.000 1.116 698 S CA -0.433 57.609 58.200 -0.263 0.000 0.912 698 S CB 2.309 65.156 63.200 -0.587 0.000 1.130 698 S HN 0.419 nan 8.310 nan 0.000 0.501 699 S N 0.408 116.032 115.700 -0.127 0.000 2.478 699 S HA 0.471 5.311 4.470 0.617 0.000 0.312 699 S C 1.090 175.667 174.600 -0.038 0.000 1.094 699 S CA -0.083 58.084 58.200 -0.056 0.000 1.081 699 S CB 1.112 64.287 63.200 -0.042 0.000 1.007 699 S HN 1.060 nan 8.310 nan 0.000 0.475 700 S N 4.241 119.933 115.700 -0.012 0.000 2.356 700 S HA -0.085 4.755 4.470 0.617 0.000 0.223 700 S C 0.882 175.484 174.600 0.002 0.000 1.032 700 S CA 0.632 58.833 58.200 0.001 0.000 1.005 700 S CB -0.752 62.452 63.200 0.007 0.000 0.867 700 S HN 0.741 nan 8.310 nan 0.000 0.449 701 N N 3.373 122.077 118.700 0.005 0.000 2.452 701 N HA 0.234 5.344 4.740 0.617 0.000 0.266 701 N C -2.247 173.258 175.510 -0.008 0.000 1.175 701 N CA -2.031 51.018 53.050 -0.001 0.000 0.945 701 N CB 1.255 39.747 38.487 0.008 0.000 1.063 701 N HN 0.034 nan 8.380 nan 0.000 0.472 702 P HA -0.037 nan 4.420 nan 0.000 0.226 702 P C 0.370 177.656 177.300 -0.023 0.000 1.153 702 P CA 0.895 63.983 63.100 -0.020 0.000 0.777 702 P CB 0.357 32.033 31.700 -0.040 0.000 0.794 703 E N -1.352 118.835 120.200 -0.022 0.000 2.482 703 E HA -0.011 4.708 4.350 0.617 0.000 0.196 703 E C 0.395 176.987 176.600 -0.013 0.000 1.047 703 E CA 0.436 56.825 56.400 -0.018 0.000 0.869 703 E CB -0.377 29.315 29.700 -0.013 0.000 0.836 703 E HN 0.289 nan 8.360 nan 0.000 0.520 704 C N 0.279 119.569 119.300 -0.017 0.000 2.719 704 C HA 0.576 5.406 4.460 0.617 0.000 0.327 704 C C 0.230 175.199 174.990 -0.036 0.000 1.238 704 C CA -0.843 58.156 59.018 -0.032 0.000 1.727 704 C CB 1.851 29.567 27.740 -0.040 0.000 2.256 704 C HN 0.177 nan 8.230 nan 0.000 0.489 705 E N -0.222 119.944 120.200 -0.056 0.000 2.408 705 E HA 0.622 5.342 4.350 0.617 0.000 0.275 705 E C -1.727 174.830 176.600 -0.072 0.000 0.935 705 E CA -0.560 55.810 56.400 -0.050 0.000 0.775 705 E CB 2.281 31.961 29.700 -0.034 0.000 1.277 705 E HN 0.352 nan 8.360 nan 0.000 0.455 706 V N 1.169 121.056 119.914 -0.045 0.000 2.495 706 V HA 0.676 5.166 4.120 0.617 0.000 0.298 706 V C -0.688 175.385 176.094 -0.034 0.000 1.031 706 V CA -0.591 61.698 62.300 -0.018 0.000 0.871 706 V CB 1.493 33.334 31.823 0.030 0.000 0.988 706 V HN 0.754 nan 8.190 nan 0.000 0.432 707 A N 3.489 126.277 122.820 -0.054 0.000 2.318 707 A HA 0.629 5.319 4.320 0.617 0.000 0.317 707 A C -0.655 176.790 177.584 -0.232 0.000 1.159 707 A CA -0.511 51.414 52.037 -0.187 0.000 0.799 707 A CB 0.541 19.441 19.000 -0.167 0.000 1.194 707 A HN 0.985 nan 8.150 nan 0.000 0.479 708 H N 2.300 121.014 119.070 -0.592 0.000 2.467 708 H HA 0.564 5.489 4.556 0.616 0.000 0.326 708 H C -1.718 173.152 175.328 -0.763 0.000 1.094 708 H CA -0.593 55.038 56.048 -0.694 0.000 1.253 708 H CB 0.703 29.781 29.762 -1.140 0.000 1.439 708 H HN 0.533 nan 8.280 nan 0.000 0.479 709 F N 7.340 127.016 119.950 -0.456 0.000 2.453 709 F HA 0.233 5.129 4.527 0.615 0.000 0.358 709 F C -1.718 173.806 175.800 -0.460 0.000 1.129 709 F CA -1.965 55.817 58.000 -0.363 0.000 1.200 709 F CB 1.274 40.226 39.000 -0.080 0.000 1.431 709 F HN 0.513 nan 8.300 nan 0.000 0.503 710 P HA -0.261 nan 4.420 nan 0.000 0.215 710 P C 1.229 178.541 177.300 0.020 0.000 1.157 710 P CA 1.813 64.752 63.100 -0.268 0.000 0.874 710 P CB 0.168 31.750 31.700 -0.197 0.000 0.790 711 E N -0.126 120.085 120.200 0.018 0.000 2.478 711 E HA -0.147 4.573 4.350 0.617 0.000 0.198 711 E C 1.205 177.834 176.600 0.049 0.000 1.046 711 E CA 0.596 57.029 56.400 0.056 0.000 0.870 711 E CB -0.360 29.370 29.700 0.051 0.000 0.818 711 E HN 0.218 nan 8.360 nan 0.000 0.527 712 Q N -0.086 119.749 119.800 0.058 0.000 2.247 712 Q HA 0.236 4.946 4.340 0.617 0.000 0.211 712 Q C 0.776 176.812 176.000 0.061 0.000 0.861 712 Q CA 0.564 56.389 55.803 0.036 0.000 0.949 712 Q CB 1.359 30.093 28.738 -0.007 0.000 1.115 712 Q HN 0.423 nan 8.270 nan 0.000 0.507 713 G N 0.852 109.712 108.800 0.100 0.000 2.273 713 G HA2 -0.266 4.064 3.960 0.617 0.000 0.280 713 G HA3 -0.266 4.064 3.960 0.617 0.000 0.280 713 G C -0.412 174.607 174.900 0.198 0.000 1.047 713 G CA 0.306 45.494 45.100 0.148 0.000 0.869 713 G HN 0.253 nan 8.290 nan 0.000 0.502 714 L N -1.046 120.319 121.223 0.237 0.000 2.371 714 L HA 0.853 5.563 4.340 0.617 0.000 0.262 714 L C -0.078 177.080 176.870 0.480 0.000 1.006 714 L CA -1.724 53.311 54.840 0.326 0.000 0.818 714 L CB 2.211 44.443 42.059 0.288 0.000 1.354 714 L HN 0.360 nan 8.230 nan 0.000 0.415 715 Y N 0.131 120.635 120.300 0.340 0.000 2.562 715 Y HA 0.769 5.688 4.550 0.616 0.000 0.345 715 Y C -0.682 175.287 175.900 0.115 0.000 1.045 715 Y CA -1.521 56.725 58.100 0.244 0.000 1.028 715 Y CB 1.332 39.846 38.460 0.090 0.000 1.297 715 Y HN 0.711 nan 8.280 nan 0.000 0.463 716 C N 2.091 121.338 119.300 -0.088 0.000 2.779 716 C HA 0.915 5.745 4.460 0.617 0.000 0.314 716 C C -0.775 174.022 174.990 -0.321 0.000 1.231 716 C CA -1.074 57.576 59.018 -0.614 0.000 1.652 716 C CB 1.098 27.876 27.740 -1.604 0.000 2.198 716 C HN 1.126 nan 8.230 nan 0.000 0.483 717 V N 3.930 123.567 119.914 -0.462 0.000 2.540 717 V HA 0.774 5.264 4.120 0.617 0.000 0.302 717 V C -0.351 175.541 176.094 -0.336 0.000 1.035 717 V CA -0.557 61.525 62.300 -0.364 0.000 0.873 717 V CB 1.490 33.008 31.823 -0.508 0.000 0.992 717 V HN 1.046 nan 8.190 nan 0.000 0.428 718 I N 3.242 123.680 120.570 -0.221 0.000 2.603 718 I HA 0.651 5.191 4.170 0.617 0.000 0.300 718 I C -0.570 175.489 176.117 -0.097 0.000 1.017 718 I CA -0.785 60.422 61.300 -0.155 0.000 1.098 718 I CB 2.056 39.969 38.000 -0.144 0.000 1.279 718 I HN 0.571 nan 8.210 nan 0.000 0.437 719 N N 3.659 122.327 118.700 -0.053 0.000 2.414 719 N HA 0.252 5.362 4.740 0.617 0.000 0.256 719 N C -0.211 175.289 175.510 -0.016 0.000 1.029 719 N CA -0.192 52.846 53.050 -0.021 0.000 0.948 719 N CB 0.684 39.177 38.487 0.010 0.000 1.102 719 N HN 0.750 nan 8.380 nan 0.000 0.496 720 N N 0.721 119.413 118.700 -0.014 0.000 2.398 720 N HA -0.021 5.089 4.740 0.617 0.000 0.188 720 N C -0.102 175.421 175.510 0.021 0.000 1.122 720 N CA 0.191 53.238 53.050 -0.004 0.000 0.866 720 N CB 0.356 38.850 38.487 0.011 0.000 0.970 720 N HN 0.627 nan 8.380 nan 0.000 0.462 721 T N -2.041 112.528 114.554 0.024 0.000 2.940 721 T HA 0.188 4.908 4.350 0.617 0.000 0.288 721 T C 0.128 174.855 174.700 0.045 0.000 1.045 721 T CA -0.924 61.196 62.100 0.033 0.000 1.018 721 T CB 1.635 70.516 68.868 0.022 0.000 1.151 721 T HN -0.026 nan 8.240 nan 0.000 0.529 722 D N -0.290 120.139 120.400 0.048 0.000 2.370 722 D HA 0.119 5.129 4.640 0.617 0.000 0.230 722 D C 0.018 176.342 176.300 0.040 0.000 1.143 722 D CA -0.252 53.780 54.000 0.053 0.000 0.834 722 D CB 0.055 40.891 40.800 0.059 0.000 0.944 722 D HN 0.315 nan 8.370 nan 0.000 0.504 723 Q N 0.673 120.493 119.800 0.033 0.000 2.348 723 Q HA 0.451 5.161 4.340 0.617 0.000 0.271 723 Q C -2.671 173.345 176.000 0.028 0.000 1.067 723 Q CA -2.255 53.564 55.803 0.027 0.000 0.839 723 Q CB 1.812 30.561 28.738 0.019 0.000 1.354 723 Q HN 0.038 nan 8.270 nan 0.000 0.447 724 P HA 0.105 nan 4.420 nan 0.000 0.271 724 P C -0.781 176.538 177.300 0.031 0.000 1.218 724 P CA -0.028 63.091 63.100 0.032 0.000 0.780 724 P CB 0.649 32.367 31.700 0.031 0.000 0.901 725 Q N 1.621 121.443 119.800 0.038 0.000 2.271 725 Q HA 0.323 5.032 4.340 0.617 0.000 0.268 725 Q C -0.652 175.381 176.000 0.056 0.000 1.021 725 Q CA -0.560 55.265 55.803 0.036 0.000 0.802 725 Q CB 2.675 31.428 28.738 0.026 0.000 1.282 725 Q HN 0.397 nan 8.270 nan 0.000 0.431 726 K N 0.986 121.418 120.400 0.054 0.000 2.143 726 K HA 0.681 5.371 4.320 0.617 0.000 0.272 726 K C -0.150 176.496 176.600 0.076 0.000 1.001 726 K CA -0.274 56.057 56.287 0.073 0.000 0.915 726 K CB 1.528 34.060 32.500 0.053 0.000 1.047 726 K HN 0.513 nan 8.250 nan 0.000 0.458 727 T N 0.582 115.209 114.554 0.121 0.000 2.885 727 T HA 0.245 4.965 4.350 0.617 0.000 0.322 727 T C -1.371 173.438 174.700 0.183 0.000 1.387 727 T CA -0.587 61.582 62.100 0.114 0.000 1.041 727 T CB 1.586 70.501 68.868 0.078 0.000 1.287 727 T HN 0.453 nan 8.240 nan 0.000 0.491 728 T N 2.723 117.353 114.554 0.126 0.000 2.794 728 T HA 0.629 5.349 4.350 0.617 0.000 0.280 728 T C -0.414 174.363 174.700 0.128 0.000 0.987 728 T CA -0.490 61.691 62.100 0.135 0.000 0.993 728 T CB 1.219 70.119 68.868 0.053 0.000 0.939 728 T HN 0.486 nan 8.240 nan 0.000 0.449 729 V N 3.536 123.577 119.914 0.211 0.000 2.483 729 V HA 0.458 4.948 4.120 0.617 0.000 0.295 729 V C 0.326 176.407 176.094 -0.021 0.000 1.035 729 V CA -0.723 61.647 62.300 0.116 0.000 0.896 729 V CB 1.848 33.834 31.823 0.272 0.000 0.986 729 V HN 0.964 nan 8.190 nan 0.000 0.447 730 T N 6.381 120.832 114.554 -0.172 0.000 2.771 730 T HA 0.606 5.326 4.350 0.617 0.000 0.281 730 T C -0.029 174.334 174.700 -0.563 0.000 0.982 730 T CA -0.320 61.608 62.100 -0.288 0.000 0.978 730 T CB 0.730 69.437 68.868 -0.269 0.000 0.930 730 T HN 0.349 nan 8.240 nan 0.000 0.447 731 L N 1.590 122.421 121.223 -0.654 0.000 2.472 731 L HA 0.542 5.252 4.340 0.617 0.000 0.256 731 L C 2.023 178.173 176.870 -1.201 0.000 1.111 731 L CA -1.072 53.012 54.840 -1.260 0.000 0.800 731 L CB 0.003 41.618 42.059 -0.740 0.000 1.286 731 L HN 0.696 nan 8.230 nan 0.000 0.479 732 A N 0.471 122.438 122.820 -1.421 0.000 1.972 732 A HA -0.191 4.499 4.320 0.617 0.000 0.219 732 A C 1.534 178.906 177.584 -0.353 0.000 1.169 732 A CA 1.754 53.350 52.037 -0.734 0.000 0.635 732 A CB -0.818 18.007 19.000 -0.292 0.000 0.810 732 A HN 0.940 nan 8.150 nan 0.000 0.446 733 D N -2.665 117.576 120.400 -0.265 0.000 2.355 733 D HA 0.290 5.300 4.640 0.617 0.000 0.218 733 D C 1.207 177.422 176.300 -0.142 0.000 1.004 733 D CA 1.051 54.969 54.000 -0.137 0.000 0.880 733 D CB -0.329 40.437 40.800 -0.058 0.000 0.911 733 D HN 0.737 nan 8.370 nan 0.000 0.528 734 G N -0.219 108.456 108.800 -0.209 0.000 2.194 734 G HA2 -0.265 4.065 3.960 0.617 0.000 0.236 734 G HA3 -0.265 4.065 3.960 0.617 0.000 0.236 734 G C 0.562 175.381 174.900 -0.134 0.000 0.987 734 G CA 0.332 45.334 45.100 -0.164 0.000 0.635 734 G HN 0.783 nan 8.290 nan 0.000 0.520 735 T N -0.198 114.280 114.554 -0.127 0.000 2.813 735 T HA 0.617 5.337 4.350 0.617 0.000 0.297 735 T C 0.477 175.117 174.700 -0.102 0.000 1.036 735 T CA 0.939 62.989 62.100 -0.084 0.000 1.044 735 T CB 1.749 70.590 68.868 -0.044 0.000 0.993 735 T HN 1.450 nan 8.240 nan 0.000 0.535 736 T N -1.569 112.953 114.554 -0.054 0.000 2.901 736 T HA 0.700 5.420 4.350 0.617 0.000 0.293 736 T C -1.134 173.570 174.700 0.008 0.000 1.084 736 T CA -0.996 61.084 62.100 -0.033 0.000 1.008 736 T CB 2.193 71.042 68.868 -0.033 0.000 1.170 736 T HN 0.925 nan 8.240 nan 0.000 0.509 737 E N 0.153 120.384 120.200 0.051 0.000 2.308 737 E HA 0.404 5.124 4.350 0.617 0.000 0.275 737 E C -1.622 174.916 176.600 -0.103 0.000 0.890 737 E CA -0.736 55.635 56.400 -0.049 0.000 0.754 737 E CB 1.630 31.300 29.700 -0.051 0.000 1.207 737 E HN 0.658 nan 8.360 nan 0.000 0.426 738 D N 2.527 122.783 120.400 -0.241 0.000 2.225 738 D HA 0.408 5.418 4.640 0.617 0.000 0.249 738 D C -0.847 175.209 176.300 -0.407 0.000 1.052 738 D CA 0.221 54.133 54.000 -0.147 0.000 0.909 738 D CB 0.709 41.465 40.800 -0.073 0.000 1.186 738 D HN 0.228 nan 8.370 nan 0.000 0.431 739 F N 0.117 120.093 119.950 0.042 0.000 2.588 739 F HA 0.238 5.137 4.527 0.619 0.000 0.310 739 F C -0.078 175.740 175.800 0.030 0.000 1.082 739 F CA -0.969 57.055 58.000 0.041 0.000 0.929 739 F CB 2.037 41.066 39.000 0.048 0.000 1.254 739 F HN -0.019 nan 8.300 nan 0.000 0.455 740 D N 3.042 123.568 120.400 0.211 0.000 2.440 740 D HA 0.416 5.426 4.640 0.617 0.000 0.252 740 D C -1.269 175.108 176.300 0.130 0.000 1.180 740 D CA -0.099 53.980 54.000 0.133 0.000 0.894 740 D CB 0.861 41.708 40.800 0.079 0.000 1.111 740 D HN 0.394 nan 8.370 nan 0.000 0.544 741 L N 4.990 126.281 121.223 0.113 0.000 2.307 741 L HA 0.520 5.230 4.340 0.617 0.000 0.282 741 L C -1.813 175.096 176.870 0.066 0.000 1.051 741 L CA -1.668 53.224 54.840 0.088 0.000 0.804 741 L CB 1.645 43.738 42.059 0.056 0.000 1.197 741 L HN 0.219 nan 8.230 nan 0.000 0.431 742 P HA -0.002 nan 4.420 nan 0.000 0.275 742 P C -0.782 176.548 177.300 0.050 0.000 1.266 742 P CA -0.517 62.612 63.100 0.050 0.000 0.793 742 P CB 0.470 32.197 31.700 0.044 0.000 1.074 743 D N 0.584 121.009 120.400 0.042 0.000 3.139 743 D HA -0.162 4.848 4.640 0.617 0.000 0.212 743 D C 0.060 176.404 176.300 0.072 0.000 1.084 743 D CA 1.252 55.281 54.000 0.049 0.000 0.777 743 D CB -0.547 40.276 40.800 0.037 0.000 1.156 743 D HN 0.355 nan 8.370 nan 0.000 0.537 744 S N 1.025 116.777 115.700 0.087 0.000 3.402 744 S HA -0.166 4.674 4.470 0.617 0.000 0.329 744 S C 0.890 175.589 174.600 0.164 0.000 1.194 744 S CA 0.728 59.006 58.200 0.131 0.000 0.951 744 S CB -1.797 61.527 63.200 0.206 0.000 0.975 744 S HN 0.888 nan 8.310 nan 0.000 0.574 745 G N 0.035 108.903 108.800 0.114 0.000 2.634 745 G HA2 0.589 4.919 3.960 0.617 0.000 0.255 745 G HA3 0.589 4.919 3.960 0.617 0.000 0.255 745 G C -0.363 174.586 174.900 0.082 0.000 1.205 745 G CA -0.328 44.847 45.100 0.126 0.000 0.884 745 G HN 0.564 nan 8.290 nan 0.000 0.549 746 I N -0.382 120.238 120.570 0.084 0.000 2.769 746 I HA 0.702 5.242 4.170 0.617 0.000 0.298 746 I C -0.513 175.567 176.117 -0.062 0.000 1.128 746 I CA -1.045 60.230 61.300 -0.041 0.000 1.031 746 I CB 2.161 40.160 38.000 -0.002 0.000 1.235 746 I HN 0.693 nan 8.210 nan 0.000 0.423 747 A N 5.743 128.414 122.820 -0.248 0.000 2.398 747 A HA 0.689 5.379 4.320 0.617 0.000 0.301 747 A C -2.235 175.145 177.584 -0.341 0.000 1.041 747 A CA -0.339 51.614 52.037 -0.141 0.000 0.711 747 A CB 0.768 19.761 19.000 -0.013 0.000 1.240 747 A HN 0.712 nan 8.150 nan 0.000 0.420 748 W N 1.915 123.192 121.300 -0.039 0.000 2.573 748 W HA 0.758 5.787 4.660 0.616 0.000 0.326 748 W C 0.337 176.781 176.519 -0.125 0.000 1.049 748 W CA -0.291 56.990 57.345 -0.108 0.000 1.220 748 W CB 1.613 31.033 29.460 -0.067 0.000 1.373 748 W HN 0.520 nan 8.180 nan 0.000 0.507 749 R N 1.360 121.818 120.500 -0.071 0.000 2.740 749 R HA 0.217 4.927 4.340 0.617 0.000 0.273 749 R C -0.539 175.759 176.300 -0.003 0.000 0.998 749 R CA -1.268 54.774 56.100 -0.096 0.000 0.900 749 R CB 1.872 32.032 30.300 -0.234 0.000 1.223 749 R HN 0.777 nan 8.270 nan 0.000 0.466 750 E N 1.195 121.470 120.200 0.125 0.000 2.383 750 E HA 0.538 5.258 4.350 0.617 0.000 0.264 750 E C -0.909 175.893 176.600 0.338 0.000 1.050 750 E CA -0.439 56.077 56.400 0.194 0.000 0.896 750 E CB 1.124 30.915 29.700 0.150 0.000 0.982 750 E HN 0.590 nan 8.360 nan 0.000 0.424 751 A N 3.630 126.671 122.820 0.369 0.000 2.530 751 A HA 0.499 5.189 4.320 0.617 0.000 0.288 751 A C -0.609 177.177 177.584 0.336 0.000 1.172 751 A CA -1.061 51.252 52.037 0.460 0.000 0.733 751 A CB 0.744 20.121 19.000 0.628 0.000 1.320 751 A HN 0.661 nan 8.150 nan 0.000 0.419 752 L N 0.618 122.056 121.223 0.359 0.000 2.483 752 L HA 0.190 4.900 4.340 0.617 0.000 0.275 752 L C 0.680 177.670 176.870 0.201 0.000 1.220 752 L CA 0.334 55.318 54.840 0.240 0.000 0.833 752 L CB 0.247 42.470 42.059 0.273 0.000 1.102 752 L HN 0.735 nan 8.230 nan 0.000 0.490 753 E N 1.942 122.139 120.200 -0.005 0.000 2.133 753 E HA 0.308 5.028 4.350 0.617 0.000 0.274 753 E C -0.992 175.482 176.600 -0.211 0.000 0.930 753 E CA -0.442 55.948 56.400 -0.017 0.000 0.770 753 E CB 0.759 30.456 29.700 -0.006 0.000 1.104 753 E HN 0.477 nan 8.360 nan 0.000 0.403 754 H N 0.000 119.114 119.070 0.074 0.000 2.539 754 H HA 0.000 4.926 4.556 0.617 0.000 0.296 754 H CA 0.000 56.087 56.048 0.064 0.000 1.023 754 H CB 0.000 29.812 29.762 0.083 0.000 1.292 754 H HN 0.000 nan 8.280 nan 0.000 0.496