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 1wcy_1_B DATA FIRST_RESID 38 DATA SEQUENCE DSRKTYTLTD YLKNTYRLKL YSLRWISDHE YLYKQENNIL VFNAEYGNSS DATA SEQUENCE VFLENSTFDE FGHSINDYSI SPDGQFILLE YNYVKQWRHS YTASYDIYDL DATA SEQUENCE NKRQLITEER IPNNTQWVTW SPVGHKLAYV WNNDIYVKIE PNLPSYRITW DATA SEQUENCE TGKEDIIYNG ITDWVYEEEV FSAYSALWWS PNGTFLAYAQ FNDTEVPLIE DATA SEQUENCE YSFYSDESLQ YPKTVRVPYP KAGAVNPTVK FFVVNTDSLS SVTNATSIQI DATA SEQUENCE TAPASMLIGD HYLCDVTWAT QERISLQWLR RIQNYSVMDI cDYDESSGRW DATA SEQUENCE NcLVARQHIE MSTTGWVGRF RPSEPHFTLD GNSFYKIISN EEGYRHIcYF DATA SEQUENCE QIDKKDcTFI TKGTWEVIGI EALTSDYLYY ISNEYKGMPG GRNLYKIQLS DATA SEQUENCE DYTKVTCLSC ELNPERcQYY SVSFSKEAKY YQLRcSGPGL PLYTLHSSVN DATA SEQUENCE DKGLRVLEDN SALDKMLQNV QMPSKKLDFI ILNETKFWYQ MILPPHFDKS DATA SEQUENCE KKYPLLLDVY AGPCSQKADT VFRLNWATYL ASTENIIVAS FDGRGSGYQG DATA SEQUENCE DKIMHAINRR LGTFEVEDQI EAARQFSKMG FVDNKRIAIW GWSYGGYVTS DATA SEQUENCE MVLGSGSGVF KcGIAVAPVS RWEYYDSVYT ERYMGLPTPE DNLDHYRNST DATA SEQUENCE VMSRAENFKQ VEYLLIHGTA DDNVHFQQSA QISKALVDVG VDFQAMWYTD DATA SEQUENCE EDHGIASSTA HQHIYTHMSH FIKQcFSLP 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 38 D HA 0.000 nan 4.640 nan 0.000 0.175 38 D C 0.000 176.331 176.300 0.051 0.000 2.045 38 D CA 0.000 54.016 54.000 0.027 0.000 0.868 38 D CB 0.000 40.885 40.800 0.141 0.000 0.688 39 S N 2.459 118.189 115.700 0.050 0.000 2.575 39 S HA 0.206 4.676 4.470 0.000 0.000 0.215 39 S C 0.887 175.525 174.600 0.064 0.000 0.966 39 S CA -0.250 57.979 58.200 0.050 0.000 0.911 39 S CB 0.272 63.495 63.200 0.038 0.000 0.780 39 S HN 0.335 nan 8.310 nan 0.000 0.514 40 R N 2.407 122.953 120.500 0.077 0.000 2.694 40 R HA 0.238 4.578 4.340 0.000 0.000 0.268 40 R C 0.409 176.763 176.300 0.091 0.000 1.061 40 R CA -0.185 55.965 56.100 0.082 0.000 1.133 40 R CB 0.468 30.818 30.300 0.084 0.000 1.020 40 R HN 0.532 nan 8.270 nan 0.000 0.475 41 K N 0.020 120.479 120.400 0.097 0.000 2.149 41 K HA 0.142 4.462 4.320 0.000 0.000 0.245 41 K C 0.021 176.693 176.600 0.120 0.000 1.024 41 K CA -0.529 55.824 56.287 0.109 0.000 0.899 41 K CB 0.516 33.090 32.500 0.124 0.000 1.038 41 K HN 0.629 nan 8.250 nan 0.000 0.496 42 T N -2.350 112.285 114.554 0.134 0.000 2.922 42 T HA 0.171 4.521 4.350 0.000 0.000 0.281 42 T C -0.830 173.998 174.700 0.215 0.000 1.005 42 T CA -0.810 61.382 62.100 0.154 0.000 0.982 42 T CB 0.525 69.481 68.868 0.147 0.000 1.158 42 T HN 0.539 nan 8.240 nan 0.000 0.566 43 Y N 2.547 122.915 120.300 0.112 0.000 2.504 43 Y HA 0.386 4.936 4.550 0.000 0.000 0.351 43 Y C 0.968 177.029 175.900 0.268 0.000 0.988 43 Y CA -0.474 57.727 58.100 0.169 0.000 1.239 43 Y CB -0.277 38.242 38.460 0.098 0.000 1.128 43 Y HN 1.016 nan 8.280 nan 0.000 0.525 44 T N 2.103 116.654 114.554 -0.006 0.000 2.810 44 T HA 0.108 4.458 4.350 0.000 0.000 0.277 44 T C 1.015 175.586 174.700 -0.214 0.000 0.973 44 T CA -0.584 61.545 62.100 0.049 0.000 0.949 44 T CB 1.023 69.894 68.868 0.004 0.000 1.075 44 T HN 0.673 nan 8.240 nan 0.000 0.537 45 L N 0.616 121.524 121.223 -0.526 0.000 2.056 45 L HA 0.053 4.393 4.340 0.000 0.000 0.207 45 L C 2.641 179.340 176.870 -0.286 0.000 1.078 45 L CA 2.061 56.463 54.840 -0.731 0.000 0.749 45 L CB -1.461 40.081 42.059 -0.862 0.000 0.901 45 L HN 0.939 nan 8.230 nan 0.000 0.433 46 T N -0.399 114.024 114.554 -0.220 0.000 2.788 46 T HA -0.156 4.195 4.350 0.000 0.000 0.268 46 T C 1.464 176.070 174.700 -0.157 0.000 1.044 46 T CA 1.444 63.453 62.100 -0.151 0.000 1.139 46 T CB -0.369 68.436 68.868 -0.105 0.000 0.867 46 T HN 0.411 nan 8.240 nan 0.000 0.454 47 D N 0.170 120.445 120.400 -0.209 0.000 2.123 47 D HA -0.101 4.539 4.640 0.000 0.000 0.196 47 D C 1.747 177.952 176.300 -0.157 0.000 0.992 47 D CA 1.075 54.931 54.000 -0.241 0.000 0.833 47 D CB -0.381 40.181 40.800 -0.397 0.000 0.954 47 D HN 0.413 nan 8.370 nan 0.000 0.455 48 Y N 1.649 121.762 120.300 -0.313 0.000 2.133 48 Y HA -0.113 4.437 4.550 0.000 0.000 0.287 48 Y C 2.233 178.135 175.900 0.003 0.000 1.134 48 Y CA 1.206 59.289 58.100 -0.028 0.000 1.133 48 Y CB -0.672 37.814 38.460 0.044 0.000 0.987 48 Y HN -0.108 nan 8.280 nan 0.000 0.502 49 L N 0.056 121.097 121.223 -0.303 0.000 2.131 49 L HA -0.191 4.149 4.340 0.000 0.000 0.210 49 L C 1.855 178.620 176.870 -0.175 0.000 1.092 49 L CA 1.378 56.024 54.840 -0.323 0.000 0.759 49 L CB -0.506 41.428 42.059 -0.210 0.000 0.903 49 L HN 0.094 nan 8.230 nan 0.000 0.435 50 K N -0.222 120.100 120.400 -0.131 0.000 2.404 50 K HA 0.106 4.426 4.320 0.000 0.000 0.194 50 K C 0.212 176.765 176.600 -0.077 0.000 1.023 50 K CA -0.085 56.147 56.287 -0.093 0.000 1.094 50 K CB -0.162 32.283 32.500 -0.090 0.000 0.841 50 K HN 0.234 nan 8.250 nan 0.000 0.523 51 N N 1.103 119.767 118.700 -0.059 0.000 2.721 51 N HA -0.163 4.577 4.740 0.000 0.000 0.249 51 N C 0.334 175.833 175.510 -0.019 0.000 1.072 51 N CA 1.069 54.121 53.050 0.005 0.000 0.710 51 N CB -1.489 36.993 38.487 -0.009 0.000 0.993 51 N HN 0.188 nan 8.380 nan 0.000 0.547 52 T N -1.141 113.353 114.554 -0.100 0.000 2.759 52 T HA -0.168 4.182 4.350 0.000 0.000 0.269 52 T C 0.515 174.984 174.700 -0.385 0.000 1.042 52 T CA 1.318 63.237 62.100 -0.301 0.000 1.140 52 T CB -0.113 68.450 68.868 -0.507 0.000 0.864 52 T HN 0.339 nan 8.240 nan 0.000 0.455 53 Y N 1.609 122.013 120.300 0.173 0.000 2.491 53 Y HA 0.491 5.042 4.550 0.000 0.000 0.334 53 Y C 0.403 176.416 175.900 0.188 0.000 0.969 53 Y CA -1.327 56.895 58.100 0.204 0.000 1.241 53 Y CB 0.482 39.129 38.460 0.311 0.000 1.105 53 Y HN -0.063 nan 8.280 nan 0.000 0.503 54 R N 3.515 124.153 120.500 0.231 0.000 2.407 54 R HA 0.604 4.944 4.340 0.000 0.000 0.303 54 R C -1.257 175.151 176.300 0.180 0.000 0.981 54 R CA -0.624 55.584 56.100 0.180 0.000 0.905 54 R CB 0.811 31.174 30.300 0.104 0.000 1.099 54 R HN 0.701 nan 8.270 nan 0.000 0.459 55 L N 4.351 125.683 121.223 0.181 0.000 2.331 55 L HA 0.315 4.656 4.340 0.000 0.000 0.278 55 L C 0.278 177.229 176.870 0.136 0.000 1.106 55 L CA -0.193 54.752 54.840 0.176 0.000 0.824 55 L CB 1.118 43.302 42.059 0.208 0.000 1.142 55 L HN 0.534 nan 8.230 nan 0.000 0.443 56 K N 3.105 123.579 120.400 0.123 0.000 2.174 56 K HA 0.567 4.887 4.320 0.000 0.000 0.275 56 K C -0.833 175.807 176.600 0.067 0.000 1.015 56 K CA -0.665 55.670 56.287 0.080 0.000 0.933 56 K CB 1.383 33.922 32.500 0.066 0.000 1.025 56 K HN 0.237 nan 8.250 nan 0.000 0.463 57 L N 1.336 122.538 121.223 -0.035 0.000 2.267 57 L HA 0.444 4.784 4.340 0.000 0.000 0.264 57 L C -0.941 175.684 176.870 -0.409 0.000 1.021 57 L CA -0.648 54.062 54.840 -0.217 0.000 0.861 57 L CB 0.479 42.515 42.059 -0.039 0.000 1.443 57 L HN 0.505 nan 8.230 nan 0.000 0.475 58 Y N -0.123 119.696 120.300 -0.801 0.000 2.517 58 Y HA 0.388 4.938 4.550 0.000 0.000 0.328 58 Y C -0.872 174.869 175.900 -0.264 0.000 1.130 58 Y CA -0.497 57.295 58.100 -0.513 0.000 1.280 58 Y CB 0.933 38.892 38.460 -0.836 0.000 1.101 58 Y HN 0.461 nan 8.280 nan 0.000 0.610 59 S N 5.290 120.936 115.700 -0.090 0.000 2.439 59 S HA 0.559 5.030 4.470 0.000 0.000 0.282 59 S C -0.566 173.999 174.600 -0.059 0.000 1.170 59 S CA -0.479 57.701 58.200 -0.032 0.000 1.054 59 S CB -0.028 63.156 63.200 -0.026 0.000 0.956 59 S HN 0.528 nan 8.310 nan 0.000 0.490 60 L N 1.603 122.752 121.223 -0.123 0.000 2.319 60 L HA 0.783 5.123 4.340 0.000 0.000 0.267 60 L C -0.322 176.428 176.870 -0.200 0.000 1.011 60 L CA -0.935 53.761 54.840 -0.241 0.000 0.818 60 L CB 0.925 42.525 42.059 -0.765 0.000 1.316 60 L HN 0.354 nan 8.230 nan 0.000 0.432 61 R N 0.996 121.418 120.500 -0.131 0.000 2.435 61 R HA 0.373 4.714 4.340 0.000 0.000 0.308 61 R C -1.711 174.610 176.300 0.035 0.000 0.975 61 R CA -0.289 55.801 56.100 -0.017 0.000 0.867 61 R CB 1.143 31.468 30.300 0.043 0.000 1.171 61 R HN 0.676 nan 8.270 nan 0.000 0.470 62 W N 4.473 125.864 121.300 0.152 0.000 2.303 62 W HA 0.129 4.789 4.660 0.000 0.000 0.318 62 W C 1.557 178.153 176.519 0.128 0.000 1.362 62 W CA -0.452 56.997 57.345 0.172 0.000 1.234 62 W CB 0.499 30.054 29.460 0.158 0.000 1.248 62 W HN 0.647 nan 8.180 nan 0.000 0.546 63 I N 0.405 121.196 120.570 0.368 0.000 4.139 63 I HA 0.297 4.468 4.170 0.000 0.000 0.335 63 I C 0.674 176.916 176.117 0.208 0.000 1.327 63 I CA -0.059 61.367 61.300 0.209 0.000 1.112 63 I CB -0.138 37.921 38.000 0.098 0.000 1.058 63 I HN 0.283 nan 8.210 nan 0.000 0.396 64 S N -0.345 115.522 115.700 0.279 0.000 2.755 64 S HA 0.252 4.722 4.470 0.000 0.000 0.286 64 S C -0.278 174.407 174.600 0.140 0.000 1.207 64 S CA -0.184 58.132 58.200 0.194 0.000 0.892 64 S CB 1.382 64.707 63.200 0.208 0.000 1.240 64 S HN 0.070 nan 8.310 nan 0.000 0.525 65 D N -0.908 119.479 120.400 -0.023 0.000 2.339 65 D HA 0.252 4.893 4.640 0.000 0.000 0.217 65 D C 0.879 177.008 176.300 -0.285 0.000 1.050 65 D CA 0.630 54.488 54.000 -0.237 0.000 0.856 65 D CB 0.042 40.623 40.800 -0.364 0.000 0.922 65 D HN 0.558 nan 8.370 nan 0.000 0.518 66 H N -1.232 117.991 119.070 0.255 0.000 3.400 66 H HA 0.355 4.911 4.556 0.000 0.000 0.251 66 H C 0.059 175.511 175.328 0.207 0.000 1.040 66 H CA 0.051 56.238 56.048 0.233 0.000 1.175 66 H CB 1.081 30.942 29.762 0.165 0.000 1.487 66 H HN 0.160 nan 8.280 nan 0.000 0.505 67 E N 0.671 121.111 120.200 0.400 0.000 2.369 67 E HA 0.412 4.762 4.350 0.000 0.000 0.270 67 E C -1.410 175.406 176.600 0.359 0.000 0.909 67 E CA -1.046 55.513 56.400 0.264 0.000 0.775 67 E CB 3.210 32.992 29.700 0.136 0.000 1.270 67 E HN 0.085 nan 8.360 nan 0.000 0.445 68 Y N -1.142 119.195 120.300 0.062 0.000 2.588 68 Y HA 0.614 5.164 4.550 0.000 0.000 0.343 68 Y C -1.730 174.147 175.900 -0.037 0.000 1.065 68 Y CA -1.308 56.716 58.100 -0.127 0.000 1.038 68 Y CB 0.759 38.791 38.460 -0.713 0.000 1.297 68 Y HN 0.338 nan 8.280 nan 0.000 0.467 69 L N 3.167 124.502 121.223 0.185 0.000 2.322 69 L HA 0.517 4.857 4.340 0.000 0.000 0.279 69 L C -1.351 175.673 176.870 0.257 0.000 1.036 69 L CA -0.993 53.917 54.840 0.117 0.000 0.807 69 L CB 1.595 43.603 42.059 -0.084 0.000 1.226 69 L HN 0.796 nan 8.230 nan 0.000 0.433 70 Y N 2.663 123.019 120.300 0.094 0.000 2.401 70 Y HA 0.273 4.823 4.550 0.000 0.000 0.330 70 Y C -0.669 175.209 175.900 -0.036 0.000 1.071 70 Y CA -1.181 56.899 58.100 -0.033 0.000 1.049 70 Y CB 1.451 39.859 38.460 -0.087 0.000 1.239 70 Y HN 0.441 nan 8.280 nan 0.000 0.437 71 K N 5.402 125.403 120.400 -0.664 0.000 2.316 71 K HA 0.241 4.561 4.320 0.000 0.000 0.289 71 K C -0.922 175.243 176.600 -0.725 0.000 1.070 71 K CA -0.251 55.719 56.287 -0.527 0.000 0.928 71 K CB 0.596 32.867 32.500 -0.381 0.000 1.039 71 K HN 0.844 nan 8.250 nan 0.000 0.480 72 Q N 4.281 123.872 119.800 -0.347 0.000 2.347 72 Q HA 0.096 4.436 4.340 0.000 0.000 0.265 72 Q C -1.200 174.746 176.000 -0.091 0.000 1.024 72 Q CA -0.139 55.554 55.803 -0.182 0.000 0.731 72 Q CB 0.882 29.672 28.738 0.087 0.000 1.245 72 Q HN 0.780 nan 8.270 nan 0.000 0.472 73 E N 3.424 123.568 120.200 -0.093 0.000 2.553 73 E HA -0.338 4.012 4.350 0.000 0.000 0.264 73 E C -0.260 176.304 176.600 -0.061 0.000 1.068 73 E CA 0.503 56.870 56.400 -0.055 0.000 0.774 73 E CB -1.049 28.638 29.700 -0.023 0.000 1.349 73 E HN 0.965 nan 8.360 nan 0.000 0.404 74 N N -1.600 117.046 118.700 -0.090 0.000 2.951 74 N HA -0.166 4.574 4.740 0.000 0.000 0.213 74 N C -0.350 175.093 175.510 -0.112 0.000 0.877 74 N CA 1.779 54.780 53.050 -0.082 0.000 1.042 74 N CB -1.227 37.242 38.487 -0.031 0.000 1.005 74 N HN 0.625 nan 8.380 nan 0.000 0.604 75 N N 1.989 120.631 118.700 -0.096 0.000 2.438 75 N HA 0.337 5.077 4.740 0.000 0.000 0.282 75 N C -0.047 175.407 175.510 -0.093 0.000 1.037 75 N CA -0.220 52.778 53.050 -0.087 0.000 0.942 75 N CB 1.371 39.829 38.487 -0.050 0.000 1.136 75 N HN 0.216 nan 8.380 nan 0.000 0.481 76 I N 2.262 122.781 120.570 -0.084 0.000 2.379 76 I HA 0.143 4.313 4.170 0.000 0.000 0.290 76 I C 0.218 176.370 176.117 0.058 0.000 1.063 76 I CA -0.366 60.907 61.300 -0.045 0.000 1.351 76 I CB 0.402 38.380 38.000 -0.037 0.000 1.410 76 I HN 0.280 nan 8.210 nan 0.000 0.505 77 L N 6.829 128.098 121.223 0.077 0.000 2.334 77 L HA 0.608 4.948 4.340 0.000 0.000 0.272 77 L C -0.449 176.472 176.870 0.084 0.000 1.020 77 L CA -1.046 53.834 54.840 0.067 0.000 0.812 77 L CB 2.107 44.201 42.059 0.059 0.000 1.264 77 L HN 0.235 nan 8.230 nan 0.000 0.439 78 V N 1.901 121.784 119.914 -0.052 0.000 2.417 78 V HA 0.427 4.547 4.120 0.000 0.000 0.291 78 V C -0.615 175.318 176.094 -0.268 0.000 1.024 78 V CA -0.368 61.894 62.300 -0.063 0.000 0.861 78 V CB 1.464 33.290 31.823 0.005 0.000 0.985 78 V HN 0.350 nan 8.190 nan 0.000 0.436 79 F N 2.947 122.623 119.950 -0.458 0.000 2.480 79 F HA 0.452 4.979 4.527 0.000 0.000 0.329 79 F C 0.538 176.037 175.800 -0.501 0.000 1.091 79 F CA -0.693 56.950 58.000 -0.595 0.000 0.972 79 F CB 1.498 39.813 39.000 -1.141 0.000 1.150 79 F HN 0.415 nan 8.300 nan 0.000 0.467 80 N N 1.903 120.534 118.700 -0.114 0.000 2.426 80 N HA 0.265 5.005 4.740 0.000 0.000 0.257 80 N C 0.484 175.928 175.510 -0.110 0.000 1.002 80 N CA 0.106 53.116 53.050 -0.068 0.000 0.942 80 N CB 1.764 40.268 38.487 0.028 0.000 1.112 80 N HN 0.797 nan 8.380 nan 0.000 0.499 81 A N 3.735 126.438 122.820 -0.194 0.000 1.933 81 A HA -0.180 4.140 4.320 0.000 0.000 0.218 81 A C 1.874 179.220 177.584 -0.397 0.000 1.175 81 A CA 1.496 53.341 52.037 -0.320 0.000 0.628 81 A CB -0.402 18.189 19.000 -0.682 0.000 0.814 81 A HN 0.775 nan 8.150 nan 0.000 0.444 82 E N -1.118 118.807 120.200 -0.457 0.000 2.072 82 E HA -0.155 4.195 4.350 0.000 0.000 0.191 82 E C 1.349 177.732 176.600 -0.360 0.000 0.985 82 E CA 1.691 57.866 56.400 -0.374 0.000 0.801 82 E CB -0.289 29.072 29.700 -0.565 0.000 0.750 82 E HN 0.733 nan 8.360 nan 0.000 0.452 83 Y N -2.206 118.101 120.300 0.011 0.000 2.535 83 Y HA 0.389 4.939 4.550 0.000 0.000 0.266 83 Y C 1.762 177.669 175.900 0.012 0.000 1.088 83 Y CA 0.304 58.410 58.100 0.011 0.000 1.285 83 Y CB 0.485 38.947 38.460 0.003 0.000 1.166 83 Y HN 0.139 nan 8.280 nan 0.000 0.525 84 G N 0.793 109.675 108.800 0.137 0.000 2.176 84 G HA2 -0.306 3.654 3.960 0.000 0.000 0.253 84 G HA3 -0.306 3.654 3.960 0.000 0.000 0.253 84 G C 0.137 175.137 174.900 0.166 0.000 0.979 84 G CA 0.149 45.345 45.100 0.159 0.000 0.641 84 G HN 0.466 nan 8.290 nan 0.000 0.530 85 N N 0.687 119.445 118.700 0.097 0.000 2.444 85 N HA 0.555 5.295 4.740 0.000 0.000 0.255 85 N C 0.146 175.543 175.510 -0.188 0.000 1.255 85 N CA 0.780 53.819 53.050 -0.018 0.000 0.933 85 N CB 1.495 39.980 38.487 -0.003 0.000 1.143 85 N HN 1.002 nan 8.380 nan 0.000 0.453 86 S N -0.697 114.802 115.700 -0.335 0.000 2.685 86 S HA 0.753 5.224 4.470 0.000 0.000 0.282 86 S C -1.027 173.374 174.600 -0.333 0.000 1.159 86 S CA -0.824 57.038 58.200 -0.563 0.000 0.833 86 S CB 1.477 63.873 63.200 -1.340 0.000 1.151 86 S HN 0.653 nan 8.310 nan 0.000 0.485 87 S N -0.191 115.331 115.700 -0.297 0.000 2.579 87 S HA 0.599 5.069 4.470 0.000 0.000 0.272 87 S C -1.148 173.382 174.600 -0.116 0.000 1.141 87 S CA -0.740 57.364 58.200 -0.160 0.000 0.843 87 S CB 1.637 64.779 63.200 -0.097 0.000 1.122 87 S HN 0.772 nan 8.310 nan 0.000 0.468 88 V N 2.876 122.746 119.914 -0.073 0.000 2.455 88 V HA 0.217 4.337 4.120 0.000 0.000 0.273 88 V C 0.363 176.466 176.094 0.014 0.000 1.045 88 V CA 0.130 62.411 62.300 -0.031 0.000 0.976 88 V CB 0.299 32.092 31.823 -0.050 0.000 0.993 88 V HN 0.943 nan 8.190 nan 0.000 0.475 89 F N 5.687 125.590 119.950 -0.078 0.000 2.446 89 F HA 0.409 4.936 4.527 0.000 0.000 0.292 89 F C 0.350 176.120 175.800 -0.050 0.000 1.096 89 F CA 0.502 58.468 58.000 -0.057 0.000 1.438 89 F CB 0.597 39.571 39.000 -0.043 0.000 1.107 89 F HN 0.372 nan 8.300 nan 0.000 0.546 90 L N 1.377 122.660 121.223 0.099 0.000 2.528 90 L HA 0.356 4.696 4.340 0.000 0.000 0.267 90 L C -1.085 175.759 176.870 -0.043 0.000 0.961 90 L CA -0.537 54.306 54.840 0.004 0.000 0.866 90 L CB 1.174 43.304 42.059 0.119 0.000 1.248 90 L HN -0.179 nan 8.230 nan 0.000 0.404 91 E N 3.294 123.439 120.200 -0.091 0.000 2.414 91 E HA 0.039 4.390 4.350 0.000 0.000 0.263 91 E C 0.710 177.267 176.600 -0.072 0.000 1.000 91 E CA 0.060 56.407 56.400 -0.088 0.000 0.914 91 E CB 0.625 30.257 29.700 -0.113 0.000 0.948 91 E HN 0.669 nan 8.360 nan 0.000 0.444 92 N N 0.948 119.619 118.700 -0.050 0.000 2.520 92 N HA -0.149 4.591 4.740 0.000 0.000 0.185 92 N C 0.897 176.409 175.510 0.003 0.000 1.068 92 N CA 0.914 53.951 53.050 -0.021 0.000 0.911 92 N CB -0.002 38.469 38.487 -0.026 0.000 0.961 92 N HN 0.256 nan 8.380 nan 0.000 0.446 93 S N -1.781 113.898 115.700 -0.036 0.000 2.540 93 S HA 0.105 4.575 4.470 0.000 0.000 0.218 93 S C 1.420 175.960 174.600 -0.100 0.000 0.977 93 S CA -0.144 58.033 58.200 -0.039 0.000 0.918 93 S CB -0.272 62.901 63.200 -0.045 0.000 0.806 93 S HN 0.134 nan 8.310 nan 0.000 0.496 94 T N 2.030 116.464 114.554 -0.200 0.000 2.737 94 T HA -0.049 4.301 4.350 0.000 0.000 0.269 94 T C 0.232 174.532 174.700 -0.666 0.000 1.040 94 T CA 1.448 63.242 62.100 -0.509 0.000 1.142 94 T CB -0.492 67.872 68.868 -0.839 0.000 0.861 94 T HN 0.621 nan 8.240 nan 0.000 0.456 95 F N 0.952 120.836 119.950 -0.110 0.000 2.923 95 F HA 0.351 4.879 4.527 0.000 0.000 0.314 95 F C 1.188 177.004 175.800 0.027 0.000 1.196 95 F CA -0.981 56.982 58.000 -0.062 0.000 1.320 95 F CB -0.002 38.892 39.000 -0.176 0.000 0.953 95 F HN -0.046 nan 8.300 nan 0.000 0.505 96 D N 0.896 121.358 120.400 0.103 0.000 2.149 96 D HA -0.159 4.481 4.640 0.000 0.000 0.198 96 D C 1.129 177.482 176.300 0.087 0.000 0.990 96 D CA 1.476 55.525 54.000 0.081 0.000 0.839 96 D CB 0.126 40.941 40.800 0.025 0.000 0.948 96 D HN 0.367 nan 8.370 nan 0.000 0.460 97 E N -0.631 119.623 120.200 0.090 0.000 2.423 97 E HA 0.080 4.431 4.350 0.000 0.000 0.198 97 E C 0.810 177.469 176.600 0.098 0.000 1.038 97 E CA -0.361 56.075 56.400 0.060 0.000 1.011 97 E CB -0.305 29.411 29.700 0.027 0.000 1.118 97 E HN 0.133 nan 8.360 nan 0.000 0.451 98 F N 0.907 120.865 119.950 0.012 0.000 2.234 98 F HA 0.023 4.550 4.527 0.000 0.000 0.299 98 F C 1.844 177.554 175.800 -0.150 0.000 1.087 98 F CA 1.722 59.721 58.000 -0.001 0.000 1.340 98 F CB 0.006 39.030 39.000 0.040 0.000 1.031 98 F HN 0.232 nan 8.300 nan 0.000 0.500 99 G N -0.840 107.799 108.800 -0.269 0.000 2.179 99 G HA2 -0.252 3.709 3.960 0.000 0.000 0.260 99 G HA3 -0.252 3.709 3.960 0.000 0.000 0.260 99 G C 0.072 174.510 174.900 -0.771 0.000 0.977 99 G CA 0.384 45.162 45.100 -0.536 0.000 0.641 99 G HN 0.568 nan 8.290 nan 0.000 0.533 100 H N 0.022 118.933 119.070 -0.265 0.000 2.771 100 H HA 0.537 5.093 4.556 0.000 0.000 0.361 100 H C 0.102 175.492 175.328 0.103 0.000 1.108 100 H CA -0.058 55.906 56.048 -0.141 0.000 1.201 100 H CB 1.651 31.127 29.762 -0.477 0.000 1.681 100 H HN 0.423 nan 8.280 nan 0.000 0.534 101 S N 3.170 118.983 115.700 0.190 0.000 2.465 101 S HA 0.264 4.735 4.470 0.000 0.000 0.280 101 S C 0.526 175.182 174.600 0.093 0.000 1.232 101 S CA -0.689 57.581 58.200 0.117 0.000 1.066 101 S CB -0.431 62.816 63.200 0.077 0.000 0.929 101 S HN 0.395 nan 8.310 nan 0.000 0.494 102 I N 3.508 124.070 120.570 -0.013 0.000 2.471 102 I HA 0.100 4.271 4.170 0.000 0.000 0.286 102 I C 1.554 177.559 176.117 -0.186 0.000 1.079 102 I CA -0.362 60.819 61.300 -0.198 0.000 1.398 102 I CB 0.458 38.132 38.000 -0.544 0.000 1.403 102 I HN 0.734 nan 8.210 nan 0.000 0.530 103 N N 3.457 122.047 118.700 -0.182 0.000 2.290 103 N HA -0.050 4.690 4.740 0.000 0.000 0.179 103 N C -0.162 175.223 175.510 -0.208 0.000 1.016 103 N CA 0.987 53.925 53.050 -0.186 0.000 0.871 103 N CB 0.384 38.757 38.487 -0.190 0.000 0.987 103 N HN 0.724 nan 8.380 nan 0.000 0.431 104 D N -2.700 117.536 120.400 -0.273 0.000 2.653 104 D HA 0.235 4.875 4.640 0.000 0.000 0.258 104 D C -1.810 174.312 176.300 -0.298 0.000 1.252 104 D CA -0.508 53.396 54.000 -0.159 0.000 0.777 104 D CB 0.446 41.224 40.800 -0.037 0.000 1.339 104 D HN -0.072 nan 8.370 nan 0.000 0.422 105 Y N -0.204 120.100 120.300 0.007 0.000 2.524 105 Y HA 0.622 5.172 4.550 0.000 0.000 0.344 105 Y C 0.037 176.012 175.900 0.125 0.000 1.012 105 Y CA -0.864 57.262 58.100 0.044 0.000 1.068 105 Y CB 2.515 40.982 38.460 0.012 0.000 1.249 105 Y HN 0.159 nan 8.280 nan 0.000 0.468 106 S N 2.582 118.503 115.700 0.369 0.000 2.620 106 S HA 0.493 4.964 4.470 0.000 0.000 0.244 106 S C -1.393 173.509 174.600 0.503 0.000 1.192 106 S CA -0.484 57.959 58.200 0.406 0.000 1.148 106 S CB -0.405 63.045 63.200 0.418 0.000 1.106 106 S HN 0.478 nan 8.310 nan 0.000 0.474 107 I N 4.526 125.245 120.570 0.248 0.000 2.556 107 I HA 0.192 4.362 4.170 0.000 0.000 0.284 107 I C 1.151 177.109 176.117 -0.265 0.000 1.114 107 I CA 0.372 61.719 61.300 0.078 0.000 1.418 107 I CB 1.030 39.001 38.000 -0.048 0.000 1.394 107 I HN 0.692 nan 8.210 nan 0.000 0.552 108 S N 6.556 121.817 115.700 -0.732 0.000 2.566 108 S HA 0.148 4.618 4.470 0.000 0.000 0.280 108 S C -1.740 172.575 174.600 -0.475 0.000 1.343 108 S CA -0.819 56.597 58.200 -1.306 0.000 1.036 108 S CB 0.153 62.521 63.200 -1.387 0.000 0.866 108 S HN 0.479 nan 8.310 nan 0.000 0.526 109 P HA -0.140 nan 4.420 nan 0.000 0.217 109 P C 0.660 177.926 177.300 -0.057 0.000 1.148 109 P CA 1.644 64.675 63.100 -0.115 0.000 0.828 109 P CB -0.180 31.473 31.700 -0.078 0.000 0.783 110 D N -2.561 117.809 120.400 -0.051 0.000 2.340 110 D HA 0.112 4.752 4.640 0.000 0.000 0.220 110 D C 1.396 177.713 176.300 0.029 0.000 1.039 110 D CA 0.592 54.605 54.000 0.021 0.000 0.866 110 D CB -1.097 39.755 40.800 0.088 0.000 0.913 110 D HN 0.172 nan 8.370 nan 0.000 0.523 111 G N 0.313 109.117 108.800 0.008 0.000 2.155 111 G HA2 -0.415 3.545 3.960 0.000 0.000 0.257 111 G HA3 -0.415 3.545 3.960 0.000 0.000 0.257 111 G C 0.955 175.895 174.900 0.068 0.000 0.983 111 G CA 0.624 45.806 45.100 0.135 0.000 0.676 111 G HN 0.464 nan 8.290 nan 0.000 0.528 112 Q N -1.606 118.143 119.800 -0.086 0.000 2.331 112 Q HA 0.339 4.680 4.340 0.000 0.000 0.203 112 Q C 0.387 175.951 176.000 -0.727 0.000 0.944 112 Q CA 0.710 56.275 55.803 -0.395 0.000 0.892 112 Q CB 0.324 28.795 28.738 -0.446 0.000 0.983 112 Q HN 0.597 nan 8.270 nan 0.000 0.482 113 F N -0.683 119.198 119.950 -0.115 0.000 2.629 113 F HA 0.539 5.066 4.527 0.000 0.000 0.316 113 F C -0.622 175.262 175.800 0.141 0.000 1.081 113 F CA -1.266 56.743 58.000 0.015 0.000 0.954 113 F CB 1.742 40.777 39.000 0.059 0.000 1.337 113 F HN -0.230 nan 8.300 nan 0.000 0.474 114 I N 2.599 123.515 120.570 0.577 0.000 2.548 114 I HA 0.430 4.600 4.170 0.000 0.000 0.287 114 I C -1.888 174.579 176.117 0.584 0.000 1.103 114 I CA -0.984 60.655 61.300 0.565 0.000 1.049 114 I CB 1.389 39.706 38.000 0.529 0.000 1.232 114 I HN 0.528 nan 8.210 nan 0.000 0.429 115 L N 8.373 129.966 121.223 0.616 0.000 2.319 115 L HA 0.437 4.777 4.340 0.000 0.000 0.280 115 L C -1.152 175.841 176.870 0.205 0.000 1.099 115 L CA 0.190 55.258 54.840 0.380 0.000 0.828 115 L CB 0.812 43.017 42.059 0.243 0.000 1.150 115 L HN 0.500 nan 8.230 nan 0.000 0.442 116 L N 5.452 126.723 121.223 0.080 0.000 2.265 116 L HA 0.466 4.806 4.340 0.000 0.000 0.289 116 L C 0.011 176.843 176.870 -0.063 0.000 1.033 116 L CA -0.384 54.332 54.840 -0.206 0.000 0.814 116 L CB 1.332 43.082 42.059 -0.515 0.000 1.203 116 L HN 0.628 nan 8.230 nan 0.000 0.423 117 E N 4.205 124.292 120.200 -0.189 0.000 2.156 117 E HA 0.448 4.798 4.350 0.000 0.000 0.279 117 E C -1.568 174.942 176.600 -0.150 0.000 0.965 117 E CA -0.487 55.710 56.400 -0.338 0.000 0.789 117 E CB 1.078 30.646 29.700 -0.219 0.000 1.098 117 E HN 0.445 nan 8.360 nan 0.000 0.397 118 Y N 1.518 121.592 120.300 -0.378 0.000 2.728 118 Y HA 0.424 4.974 4.550 0.000 0.000 0.330 118 Y C -0.219 175.569 175.900 -0.186 0.000 1.234 118 Y CA -1.677 56.299 58.100 -0.206 0.000 1.070 118 Y CB 0.414 38.815 38.460 -0.098 0.000 1.300 118 Y HN 0.528 nan 8.280 nan 0.000 0.467 119 N N -0.390 118.286 118.700 -0.040 0.000 2.735 119 N HA -0.297 4.444 4.740 0.000 0.000 0.248 119 N C -0.966 174.486 175.510 -0.095 0.000 1.083 119 N CA 1.029 54.014 53.050 -0.109 0.000 0.703 119 N CB -1.538 36.776 38.487 -0.287 0.000 1.005 119 N HN 0.867 nan 8.380 nan 0.000 0.550 120 Y N 0.311 120.522 120.300 -0.149 0.000 2.650 120 Y HA 0.264 4.815 4.550 0.000 0.000 0.331 120 Y C -0.009 175.841 175.900 -0.083 0.000 1.165 120 Y CA 0.011 58.026 58.100 -0.142 0.000 1.473 120 Y CB 0.664 38.995 38.460 -0.216 0.000 1.224 120 Y HN -0.010 nan 8.280 nan 0.000 0.533 121 V N 8.204 127.732 119.914 -0.644 0.000 2.380 121 V HA 0.198 4.318 4.120 0.000 0.000 0.286 121 V C -0.230 175.452 176.094 -0.688 0.000 1.015 121 V CA -1.377 60.605 62.300 -0.530 0.000 0.834 121 V CB 1.187 32.856 31.823 -0.256 0.000 1.009 121 V HN 0.755 nan 8.190 nan 0.000 0.428 122 K N 3.723 123.679 120.400 -0.739 0.000 2.382 122 K HA 0.219 4.539 4.320 0.000 0.000 0.275 122 K C 0.435 176.861 176.600 -0.290 0.000 1.009 122 K CA 0.186 56.229 56.287 -0.406 0.000 0.970 122 K CB 1.236 33.693 32.500 -0.072 0.000 0.934 122 K HN 0.819 nan 8.250 nan 0.000 0.479 123 Q N 3.035 122.647 119.800 -0.313 0.000 2.471 123 Q HA 0.161 4.501 4.340 0.000 0.000 0.207 123 Q C -0.032 175.686 176.000 -0.470 0.000 0.889 123 Q CA -0.358 55.052 55.803 -0.655 0.000 0.726 123 Q CB 0.113 28.284 28.738 -0.946 0.000 2.132 123 Q HN 0.735 nan 8.270 nan 0.000 0.531 124 W N 0.057 121.348 121.300 -0.015 0.000 1.941 124 W HA 0.349 5.009 4.660 0.000 0.000 0.629 124 W C 1.774 178.272 176.519 -0.035 0.000 1.517 124 W CA -0.604 56.752 57.345 0.019 0.000 1.502 124 W CB -0.141 29.281 29.460 -0.062 0.000 3.266 124 W HN 0.280 nan 8.180 nan 0.000 0.765 125 R N -0.608 119.981 120.500 0.148 0.000 2.096 125 R HA -0.149 4.192 4.340 0.000 0.000 0.235 125 R C 1.718 177.834 176.300 -0.306 0.000 1.127 125 R CA 1.996 58.001 56.100 -0.157 0.000 0.968 125 R CB -0.445 29.620 30.300 -0.391 0.000 0.861 125 R HN 0.458 nan 8.270 nan 0.000 0.440 126 H N -1.294 117.851 119.070 0.125 0.000 2.800 126 H HA 0.219 4.775 4.556 0.000 0.000 0.257 126 H C 0.443 175.862 175.328 0.151 0.000 0.967 126 H CA 0.545 56.687 56.048 0.157 0.000 1.192 126 H CB 0.084 29.909 29.762 0.106 0.000 1.441 126 H HN 0.213 nan 8.280 nan 0.000 0.461 127 S N 1.354 117.046 115.700 -0.014 0.000 2.585 127 S HA 0.355 4.825 4.470 0.000 0.000 0.273 127 S C -0.296 174.173 174.600 -0.218 0.000 1.339 127 S CA -0.393 57.492 58.200 -0.525 0.000 1.028 127 S CB 0.611 62.982 63.200 -1.383 0.000 0.906 127 S HN 0.455 nan 8.310 nan 0.000 0.528 128 Y N -2.417 117.733 120.300 -0.249 0.000 2.765 128 Y HA 0.589 5.139 4.550 0.000 0.000 0.350 128 Y C -0.850 175.039 175.900 -0.019 0.000 1.196 128 Y CA -0.816 57.153 58.100 -0.218 0.000 1.119 128 Y CB 0.326 38.645 38.460 -0.234 0.000 1.368 128 Y HN 0.934 nan 8.280 nan 0.000 0.463 129 T N 0.069 114.686 114.554 0.105 0.000 2.942 129 T HA 1.042 5.392 4.350 0.000 0.000 0.289 129 T C -0.410 174.379 174.700 0.148 0.000 1.044 129 T CA -0.144 62.032 62.100 0.127 0.000 1.023 129 T CB 1.835 70.726 68.868 0.038 0.000 1.123 129 T HN 2.013 nan 8.240 nan 0.000 0.512 130 A N 0.723 123.602 122.820 0.098 0.000 2.511 130 A HA 0.764 5.084 4.320 0.000 0.000 0.293 130 A C -0.777 176.607 177.584 -0.334 0.000 1.098 130 A CA -0.995 50.953 52.037 -0.147 0.000 0.643 130 A CB 0.873 19.764 19.000 -0.182 0.000 1.302 130 A HN 0.890 nan 8.150 nan 0.000 0.446 131 S N -0.638 114.608 115.700 -0.757 0.000 2.537 131 S HA 0.800 5.270 4.470 0.000 0.000 0.301 131 S C -1.590 172.381 174.600 -1.049 0.000 1.092 131 S CA -0.100 57.585 58.200 -0.858 0.000 1.048 131 S CB 0.750 63.190 63.200 -1.266 0.000 1.053 131 S HN 0.447 nan 8.310 nan 0.000 0.501 132 Y N 0.386 120.484 120.300 -0.337 0.000 2.477 132 Y HA 0.529 5.079 4.550 0.000 0.000 0.347 132 Y C -0.499 175.447 175.900 0.076 0.000 0.981 132 Y CA -0.986 57.060 58.100 -0.089 0.000 1.033 132 Y CB 1.797 40.141 38.460 -0.193 0.000 1.245 132 Y HN 0.528 nan 8.280 nan 0.000 0.455 133 D N 1.923 122.529 120.400 0.345 0.000 2.671 133 D HA 0.602 5.242 4.640 0.000 0.000 0.232 133 D C -1.131 175.313 176.300 0.241 0.000 1.114 133 D CA -0.357 53.818 54.000 0.291 0.000 0.858 133 D CB 2.082 43.125 40.800 0.406 0.000 1.544 133 D HN 0.331 nan 8.370 nan 0.000 0.471 134 I N 2.157 122.871 120.570 0.241 0.000 2.378 134 I HA 0.277 4.447 4.170 0.000 0.000 0.291 134 I C -1.084 175.282 176.117 0.414 0.000 0.992 134 I CA -1.011 60.478 61.300 0.315 0.000 1.154 134 I CB 1.118 39.265 38.000 0.245 0.000 1.315 134 I HN 0.316 nan 8.210 nan 0.000 0.448 135 Y N 5.771 126.277 120.300 0.345 0.000 2.328 135 Y HA 0.270 4.820 4.550 0.000 0.000 0.337 135 Y C -0.094 175.992 175.900 0.310 0.000 1.008 135 Y CA -0.656 57.643 58.100 0.332 0.000 1.129 135 Y CB 0.947 39.656 38.460 0.416 0.000 1.185 135 Y HN 0.473 nan 8.280 nan 0.000 0.476 136 D N 6.412 126.646 120.400 -0.276 0.000 2.339 136 D HA 0.093 4.733 4.640 0.000 0.000 0.241 136 D C 0.668 176.534 176.300 -0.722 0.000 1.183 136 D CA 0.203 53.964 54.000 -0.398 0.000 0.859 136 D CB 0.863 41.537 40.800 -0.210 0.000 1.067 136 D HN 0.861 nan 8.370 nan 0.000 0.484 137 L N 3.429 124.324 121.223 -0.547 0.000 2.376 137 L HA -0.101 4.240 4.340 0.000 0.000 0.219 137 L C 1.870 178.516 176.870 -0.373 0.000 1.133 137 L CA 0.352 54.968 54.840 -0.373 0.000 0.816 137 L CB -0.218 41.683 42.059 -0.263 0.000 0.933 137 L HN 0.352 nan 8.230 nan 0.000 0.449 138 N N 0.801 119.241 118.700 -0.433 0.000 2.132 138 N HA -0.099 4.641 4.740 0.000 0.000 0.187 138 N C 1.503 176.862 175.510 -0.250 0.000 1.038 138 N CA 1.122 53.984 53.050 -0.312 0.000 0.846 138 N CB -0.104 38.195 38.487 -0.314 0.000 1.012 138 N HN 0.332 nan 8.380 nan 0.000 0.429 139 K N 0.947 121.187 120.400 -0.267 0.000 2.525 139 K HA 0.171 4.492 4.320 0.000 0.000 0.192 139 K C -0.123 176.342 176.600 -0.226 0.000 1.029 139 K CA -0.067 56.102 56.287 -0.196 0.000 1.029 139 K CB 0.240 32.651 32.500 -0.149 0.000 0.814 139 K HN 0.121 nan 8.250 nan 0.000 0.503 140 R N 1.521 121.815 120.500 -0.342 0.000 3.416 140 R HA -0.216 4.124 4.340 0.000 0.000 0.263 140 R C -0.683 175.446 176.300 -0.285 0.000 1.053 140 R CA 0.906 56.817 56.100 -0.314 0.000 0.705 140 R CB -2.133 28.106 30.300 -0.102 0.000 1.124 140 R HN 0.550 nan 8.270 nan 0.000 0.444 141 Q N -0.242 119.248 119.800 -0.515 0.000 2.435 141 Q HA 0.567 4.907 4.340 0.000 0.000 0.282 141 Q C -0.575 175.352 176.000 -0.121 0.000 1.020 141 Q CA -1.344 54.368 55.803 -0.151 0.000 0.820 141 Q CB 1.533 30.241 28.738 -0.049 0.000 1.436 141 Q HN 0.245 nan 8.270 nan 0.000 0.395 142 L N -0.139 121.227 121.223 0.237 0.000 2.305 142 L HA 0.565 4.906 4.340 0.000 0.000 0.281 142 L C -0.364 176.624 176.870 0.197 0.000 1.085 142 L CA -0.949 54.090 54.840 0.332 0.000 0.813 142 L CB 0.313 42.657 42.059 0.475 0.000 1.157 142 L HN 0.626 nan 8.230 nan 0.000 0.436 143 I N 3.599 124.280 120.570 0.185 0.000 2.598 143 I HA -0.026 4.145 4.170 0.000 0.000 0.284 143 I C 1.346 177.530 176.117 0.111 0.000 1.140 143 I CA 0.291 61.669 61.300 0.129 0.000 1.420 143 I CB 1.270 39.344 38.000 0.124 0.000 1.387 143 I HN 0.896 nan 8.210 nan 0.000 0.553 144 T N 0.721 115.321 114.554 0.077 0.000 3.023 144 T HA 0.217 4.567 4.350 0.000 0.000 0.253 144 T C 0.449 175.164 174.700 0.026 0.000 1.038 144 T CA -0.337 61.797 62.100 0.057 0.000 0.962 144 T CB -0.023 68.876 68.868 0.052 0.000 1.018 144 T HN 0.539 nan 8.240 nan 0.000 0.521 145 E N 2.264 122.476 120.200 0.021 0.000 2.216 145 E HA 0.349 4.699 4.350 0.000 0.000 0.279 145 E C -0.451 176.138 176.600 -0.018 0.000 0.997 145 E CA -0.764 55.636 56.400 -0.000 0.000 0.817 145 E CB 0.598 30.301 29.700 0.005 0.000 1.096 145 E HN 0.110 nan 8.360 nan 0.000 0.393 146 E N 1.815 121.989 120.200 -0.043 0.000 2.252 146 E HA -0.244 4.106 4.350 0.000 0.000 0.218 146 E C -0.750 175.796 176.600 -0.090 0.000 1.253 146 E CA 0.704 57.061 56.400 -0.071 0.000 0.705 146 E CB -1.247 28.418 29.700 -0.058 0.000 1.172 146 E HN 0.519 nan 8.360 nan 0.000 0.369 147 R N -0.011 120.429 120.500 -0.099 0.000 2.594 147 R HA 0.338 4.679 4.340 0.000 0.000 0.272 147 R C 1.214 177.369 176.300 -0.242 0.000 1.074 147 R CA -0.533 55.497 56.100 -0.116 0.000 1.105 147 R CB 0.585 30.845 30.300 -0.066 0.000 1.008 147 R HN 0.156 nan 8.270 nan 0.000 0.472 148 I N 4.781 125.170 120.570 -0.301 0.000 2.775 148 I HA -0.023 4.147 4.170 0.000 0.000 0.290 148 I C -1.407 174.392 176.117 -0.530 0.000 1.203 148 I CA -1.216 59.730 61.300 -0.590 0.000 1.433 148 I CB 0.202 37.837 38.000 -0.608 0.000 1.354 148 I HN 0.333 nan 8.210 nan 0.000 0.579 149 P HA 0.060 nan 4.420 nan 0.000 0.272 149 P C -0.872 176.189 177.300 -0.398 0.000 1.230 149 P CA -0.357 62.323 63.100 -0.699 0.000 0.788 149 P CB 0.535 31.378 31.700 -1.429 0.000 0.949 150 N N 1.108 119.680 118.700 -0.214 0.000 2.354 150 N HA 0.003 4.743 4.740 0.000 0.000 0.246 150 N C 0.397 175.969 175.510 0.103 0.000 1.285 150 N CA 0.077 53.074 53.050 -0.088 0.000 0.925 150 N CB -0.542 37.906 38.487 -0.065 0.000 1.174 150 N HN 0.403 nan 8.380 nan 0.000 0.478 151 N N -1.713 117.024 118.700 0.062 0.000 2.725 151 N HA -0.167 4.574 4.740 0.000 0.000 0.249 151 N C -0.971 174.685 175.510 0.244 0.000 1.103 151 N CA 0.700 53.823 53.050 0.123 0.000 0.707 151 N CB -1.455 37.106 38.487 0.124 0.000 1.043 151 N HN 0.433 nan 8.380 nan 0.000 0.553 152 T N 0.318 115.009 114.554 0.228 0.000 2.870 152 T HA 0.071 4.421 4.350 0.000 0.000 0.300 152 T C 1.459 176.295 174.700 0.225 0.000 0.989 152 T CA -0.033 62.219 62.100 0.252 0.000 1.139 152 T CB 1.089 69.991 68.868 0.057 0.000 0.920 152 T HN 0.197 nan 8.240 nan 0.000 0.537 153 Q N 1.855 121.784 119.800 0.214 0.000 2.269 153 Q HA 0.141 4.482 4.340 0.000 0.000 0.201 153 Q C 0.173 176.317 176.000 0.239 0.000 0.946 153 Q CA 0.443 56.387 55.803 0.235 0.000 0.877 153 Q CB 0.719 29.552 28.738 0.159 0.000 0.963 153 Q HN 0.710 nan 8.270 nan 0.000 0.472 154 W N -0.564 120.682 121.300 -0.091 0.000 3.464 154 W HA 0.476 5.136 4.660 0.000 0.000 0.292 154 W C -2.411 174.009 176.519 -0.164 0.000 1.262 154 W CA -0.720 56.526 57.345 -0.163 0.000 1.202 154 W CB 1.104 30.401 29.460 -0.272 0.000 1.334 154 W HN -0.295 nan 8.180 nan 0.000 0.561 155 V N 4.306 123.447 119.914 -1.287 0.000 2.932 155 V HA 0.810 4.931 4.120 0.000 0.000 0.307 155 V C -1.517 173.836 176.094 -1.235 0.000 1.147 155 V CA -0.063 61.611 62.300 -1.044 0.000 0.951 155 V CB 2.329 33.498 31.823 -1.091 0.000 1.031 155 V HN 0.632 nan 8.190 nan 0.000 0.426 156 T N 5.302 119.469 114.554 -0.646 0.000 3.097 156 T HA 0.498 4.848 4.350 0.000 0.000 0.332 156 T C -1.319 173.361 174.700 -0.034 0.000 1.269 156 T CA -0.310 61.611 62.100 -0.299 0.000 1.076 156 T CB 0.777 69.695 68.868 0.083 0.000 1.209 156 T HN 0.696 nan 8.240 nan 0.000 0.474 157 W N 2.906 124.214 121.300 0.012 0.000 2.093 157 W HA 0.478 5.138 4.660 0.000 0.000 0.352 157 W C 1.221 177.564 176.519 -0.293 0.000 1.294 157 W CA -0.525 56.780 57.345 -0.068 0.000 1.290 157 W CB 0.531 29.960 29.460 -0.051 0.000 1.149 157 W HN 0.781 nan 8.180 nan 0.000 0.606 158 S N 0.665 116.110 115.700 -0.425 0.000 2.614 158 S HA 0.190 4.660 4.470 0.000 0.000 0.265 158 S C -1.922 172.396 174.600 -0.471 0.000 1.303 158 S CA -1.037 56.382 58.200 -1.301 0.000 1.000 158 S CB 0.910 63.280 63.200 -1.383 0.000 0.935 158 S HN 0.238 nan 8.310 nan 0.000 0.551 159 P HA -0.025 nan 4.420 nan 0.000 0.216 159 P C 0.353 177.601 177.300 -0.087 0.000 1.150 159 P CA 1.041 64.085 63.100 -0.093 0.000 0.837 159 P CB -0.166 31.514 31.700 -0.033 0.000 0.786 160 V N -6.787 113.036 119.914 -0.152 0.000 3.001 160 V HA 0.887 5.007 4.120 0.000 0.000 0.314 160 V C 0.506 176.504 176.094 -0.160 0.000 1.099 160 V CA -0.349 61.886 62.300 -0.110 0.000 0.989 160 V CB 0.936 32.714 31.823 -0.076 0.000 1.040 160 V HN 0.459 nan 8.190 nan 0.000 0.434 161 G N 2.053 110.787 108.800 -0.110 0.000 2.509 161 G HA2 -0.155 3.806 3.960 0.000 0.000 0.259 161 G HA3 -0.155 3.806 3.960 0.000 0.000 0.259 161 G C 0.188 175.036 174.900 -0.086 0.000 1.169 161 G CA 0.754 45.769 45.100 -0.142 0.000 0.953 161 G HN 2.543 nan 8.290 nan 0.000 0.563 162 H N -0.549 118.494 119.070 -0.045 0.000 3.233 162 H HA 0.391 4.947 4.556 0.000 0.000 0.232 162 H C 0.241 175.680 175.328 0.185 0.000 1.322 162 H CA -0.087 55.978 56.048 0.028 0.000 1.043 162 H CB -0.405 29.352 29.762 -0.008 0.000 2.572 162 H HN 0.554 nan 8.280 nan 0.000 0.597 163 K N 1.425 121.820 120.400 -0.009 0.000 2.138 163 K HA 0.553 4.873 4.320 0.000 0.000 0.251 163 K C -0.273 176.412 176.600 0.142 0.000 1.015 163 K CA -0.463 55.832 56.287 0.013 0.000 0.917 163 K CB 1.598 33.998 32.500 -0.167 0.000 1.021 163 K HN 0.094 nan 8.250 nan 0.000 0.485 164 L N 0.331 121.655 121.223 0.169 0.000 2.371 164 L HA 0.648 4.988 4.340 0.000 0.000 0.262 164 L C -1.135 175.897 176.870 0.271 0.000 1.006 164 L CA -0.937 53.965 54.840 0.103 0.000 0.818 164 L CB 2.228 44.211 42.059 -0.127 0.000 1.354 164 L HN 0.722 nan 8.230 nan 0.000 0.415 165 A N 1.923 124.868 122.820 0.208 0.000 2.408 165 A HA 0.765 5.085 4.320 0.000 0.000 0.295 165 A C -1.730 175.830 177.584 -0.040 0.000 1.040 165 A CA -0.375 51.687 52.037 0.043 0.000 0.707 165 A CB 1.159 20.147 19.000 -0.021 0.000 1.235 165 A HN 0.624 nan 8.150 nan 0.000 0.418 166 Y N -0.268 119.968 120.300 -0.107 0.000 2.588 166 Y HA 0.805 5.355 4.550 0.000 0.000 0.343 166 Y C -1.182 174.720 175.900 0.003 0.000 1.065 166 Y CA -1.704 56.307 58.100 -0.147 0.000 1.038 166 Y CB 1.069 39.373 38.460 -0.260 0.000 1.297 166 Y HN 0.418 nan 8.280 nan 0.000 0.467 167 V N 1.979 122.055 119.914 0.271 0.000 2.513 167 V HA 0.415 4.535 4.120 0.000 0.000 0.299 167 V C -1.437 174.902 176.094 0.409 0.000 1.035 167 V CA -0.629 61.811 62.300 0.233 0.000 0.889 167 V CB 1.450 33.309 31.823 0.060 0.000 0.988 167 V HN 0.883 nan 8.190 nan 0.000 0.440 168 W N 4.551 125.977 121.300 0.210 0.000 3.211 168 W HA 0.452 5.112 4.660 0.000 0.000 0.335 168 W C 0.252 176.834 176.519 0.105 0.000 1.113 168 W CA -0.804 56.619 57.345 0.130 0.000 1.235 168 W CB 1.202 30.706 29.460 0.072 0.000 1.365 168 W HN 0.793 nan 8.180 nan 0.000 0.476 169 N N 5.015 123.397 118.700 -0.529 0.000 2.721 169 N HA -0.339 4.401 4.740 0.000 0.000 0.249 169 N C -0.008 175.348 175.510 -0.256 0.000 1.072 169 N CA 1.017 53.739 53.050 -0.548 0.000 0.710 169 N CB -0.880 37.059 38.487 -0.913 0.000 0.993 169 N HN 0.717 nan 8.380 nan 0.000 0.547 170 N N -1.516 117.099 118.700 -0.142 0.000 2.878 170 N HA -0.144 4.596 4.740 0.000 0.000 0.247 170 N C -1.481 173.967 175.510 -0.104 0.000 1.021 170 N CA 1.616 54.600 53.050 -0.110 0.000 0.873 170 N CB -0.530 37.850 38.487 -0.179 0.000 1.128 170 N HN 0.521 nan 8.380 nan 0.000 0.571 171 D N -0.120 120.230 120.400 -0.083 0.000 2.433 171 D HA 0.490 5.130 4.640 0.000 0.000 0.236 171 D C 0.399 176.555 176.300 -0.240 0.000 1.026 171 D CA -0.441 53.431 54.000 -0.213 0.000 0.884 171 D CB 1.413 42.027 40.800 -0.311 0.000 1.384 171 D HN -0.003 nan 8.370 nan 0.000 0.477 172 I N 1.659 121.931 120.570 -0.497 0.000 2.396 172 I HA 0.239 4.409 4.170 0.000 0.000 0.292 172 I C -0.676 174.991 176.117 -0.749 0.000 0.999 172 I CA -0.407 60.583 61.300 -0.516 0.000 1.310 172 I CB 0.566 38.173 38.000 -0.655 0.000 1.404 172 I HN 0.167 nan 8.210 nan 0.000 0.496 173 Y N 3.960 123.898 120.300 -0.604 0.000 2.512 173 Y HA 0.652 5.202 4.550 0.000 0.000 0.348 173 Y C -0.341 175.187 175.900 -0.619 0.000 0.990 173 Y CA -0.912 56.775 58.100 -0.689 0.000 1.033 173 Y CB 2.048 39.850 38.460 -1.096 0.000 1.259 173 Y HN 0.111 nan 8.280 nan 0.000 0.461 174 V N 2.334 122.147 119.914 -0.167 0.000 2.735 174 V HA 0.518 4.639 4.120 0.000 0.000 0.310 174 V C -1.021 175.160 176.094 0.145 0.000 1.061 174 V CA -1.472 60.816 62.300 -0.020 0.000 0.913 174 V CB 2.183 34.012 31.823 0.011 0.000 1.005 174 V HN 0.624 nan 8.190 nan 0.000 0.428 175 K N 3.694 124.190 120.400 0.161 0.000 2.535 175 K HA 0.458 4.778 4.320 0.000 0.000 0.253 175 K C 0.035 176.742 176.600 0.179 0.000 0.953 175 K CA -0.646 55.748 56.287 0.178 0.000 0.863 175 K CB 1.920 34.489 32.500 0.115 0.000 1.111 175 K HN 0.406 nan 8.250 nan 0.000 0.431 176 I N 1.257 121.956 120.570 0.215 0.000 2.394 176 I HA -0.150 4.020 4.170 0.000 0.000 0.251 176 I C 0.317 176.504 176.117 0.117 0.000 1.136 176 I CA 1.442 62.825 61.300 0.139 0.000 1.425 176 I CB 0.022 38.108 38.000 0.143 0.000 1.079 176 I HN 0.504 nan 8.210 nan 0.000 0.425 177 E N -0.000 120.276 120.200 0.127 0.000 2.275 177 E HA 0.260 4.610 4.350 0.000 0.000 0.270 177 E C -1.890 174.721 176.600 0.018 0.000 0.882 177 E CA -1.856 54.609 56.400 0.109 0.000 0.758 177 E CB 1.577 31.345 29.700 0.112 0.000 1.195 177 E HN -0.142 nan 8.360 nan 0.000 0.419 178 P HA -0.206 nan 4.420 nan 0.000 0.217 178 P C 0.641 177.905 177.300 -0.059 0.000 1.148 178 P CA 1.491 64.501 63.100 -0.150 0.000 0.834 178 P CB 0.314 31.752 31.700 -0.436 0.000 0.783 179 N N -0.792 117.892 118.700 -0.027 0.000 2.270 179 N HA 0.051 4.791 4.740 0.000 0.000 0.198 179 N C 0.338 175.850 175.510 0.003 0.000 1.117 179 N CA -0.032 53.023 53.050 0.008 0.000 0.845 179 N CB -0.172 38.339 38.487 0.039 0.000 0.980 179 N HN 0.204 nan 8.380 nan 0.000 0.486 180 L N 0.645 121.870 121.223 0.003 0.000 2.352 180 L HA 0.525 4.865 4.340 0.000 0.000 0.269 180 L C -2.254 174.591 176.870 -0.042 0.000 1.034 180 L CA -2.234 52.602 54.840 -0.007 0.000 0.806 180 L CB 1.356 43.429 42.059 0.023 0.000 1.244 180 L HN -0.211 nan 8.230 nan 0.000 0.447 181 P HA 0.025 nan 4.420 nan 0.000 0.267 181 P C -0.951 176.232 177.300 -0.196 0.000 1.200 181 P CA 0.106 63.121 63.100 -0.141 0.000 0.772 181 P CB 0.580 32.176 31.700 -0.175 0.000 0.855 182 S N 1.413 117.036 115.700 -0.129 0.000 2.586 182 S HA 0.353 4.823 4.470 0.000 0.000 0.274 182 S C -0.585 173.947 174.600 -0.113 0.000 1.281 182 S CA -0.196 57.972 58.200 -0.054 0.000 1.035 182 S CB 0.031 63.260 63.200 0.049 0.000 0.962 182 S HN 0.231 nan 8.310 nan 0.000 0.512 183 Y N 1.318 121.626 120.300 0.012 0.000 2.326 183 Y HA 0.390 4.941 4.550 0.000 0.000 0.337 183 Y C 0.720 176.549 175.900 -0.118 0.000 1.023 183 Y CA -0.696 57.397 58.100 -0.013 0.000 1.143 183 Y CB 0.619 39.066 38.460 -0.021 0.000 1.183 183 Y HN 0.513 nan 8.280 nan 0.000 0.485 184 R N 3.732 124.193 120.500 -0.065 0.000 2.267 184 R HA 0.215 4.555 4.340 0.000 0.000 0.319 184 R C 0.196 176.231 176.300 -0.442 0.000 1.067 184 R CA -0.076 55.680 56.100 -0.572 0.000 0.936 184 R CB 0.246 30.016 30.300 -0.883 0.000 1.006 184 R HN 0.768 nan 8.270 nan 0.000 0.452 185 I N 2.389 122.612 120.570 -0.578 0.000 2.494 185 I HA -0.032 4.138 4.170 0.000 0.000 0.250 185 I C 1.073 176.974 176.117 -0.360 0.000 1.112 185 I CA 0.991 62.063 61.300 -0.380 0.000 1.438 185 I CB -0.704 37.029 38.000 -0.446 0.000 1.111 185 I HN 0.658 nan 8.210 nan 0.000 0.431 186 T N -3.836 110.376 114.554 -0.568 0.000 2.908 186 T HA 0.404 4.754 4.350 0.000 0.000 0.290 186 T C -0.641 173.764 174.700 -0.491 0.000 1.034 186 T CA -0.524 61.351 62.100 -0.375 0.000 1.010 186 T CB 1.956 70.597 68.868 -0.379 0.000 1.068 186 T HN 0.175 nan 8.240 nan 0.000 0.481 187 W N 0.345 121.538 121.300 -0.177 0.000 2.518 187 W HA 0.243 4.903 4.660 0.000 0.000 0.352 187 W C 1.795 178.262 176.519 -0.087 0.000 0.952 187 W CA -0.176 57.098 57.345 -0.118 0.000 1.624 187 W CB 0.263 29.672 29.460 -0.084 0.000 1.135 187 W HN 0.922 nan 8.180 nan 0.000 0.540 188 T N -2.788 111.808 114.554 0.069 0.000 3.086 188 T HA 0.278 4.629 4.350 0.000 0.000 0.250 188 T C 1.254 175.951 174.700 -0.005 0.000 1.074 188 T CA 0.155 62.280 62.100 0.042 0.000 0.988 188 T CB -0.125 68.766 68.868 0.039 0.000 0.988 188 T HN 0.013 nan 8.240 nan 0.000 0.530 189 G N 1.398 110.165 108.800 -0.054 0.000 2.224 189 G HA2 0.309 4.269 3.960 0.000 0.000 0.239 189 G HA3 0.309 4.269 3.960 0.000 0.000 0.239 189 G C -0.552 174.291 174.900 -0.096 0.000 1.240 189 G CA -0.309 44.737 45.100 -0.091 0.000 0.896 189 G HN 0.559 nan 8.290 nan 0.000 0.496 190 K N 2.143 122.464 120.400 -0.131 0.000 2.616 190 K HA 0.141 4.461 4.320 0.000 0.000 0.255 190 K C -0.149 176.330 176.600 -0.201 0.000 0.995 190 K CA -0.628 55.582 56.287 -0.129 0.000 0.860 190 K CB 1.396 33.855 32.500 -0.067 0.000 1.264 190 K HN 0.646 nan 8.250 nan 0.000 0.451 191 E N 3.142 123.228 120.200 -0.190 0.000 2.765 191 E HA -0.174 4.176 4.350 0.000 0.000 0.256 191 E C -0.527 175.973 176.600 -0.167 0.000 0.935 191 E CA 1.123 57.405 56.400 -0.198 0.000 0.954 191 E CB 0.256 29.880 29.700 -0.127 0.000 0.908 191 E HN 0.644 nan 8.360 nan 0.000 0.500 192 D N 2.511 122.785 120.400 -0.211 0.000 3.077 192 D HA -0.238 4.402 4.640 0.000 0.000 0.217 192 D C 0.460 176.790 176.300 0.051 0.000 1.162 192 D CA 1.199 55.200 54.000 0.002 0.000 0.943 192 D CB -0.417 40.430 40.800 0.079 0.000 1.122 192 D HN 0.403 nan 8.370 nan 0.000 0.413 193 I N -1.128 119.386 120.570 -0.092 0.000 3.685 193 I HA 0.104 4.274 4.170 0.000 0.000 0.258 193 I C 0.693 176.881 176.117 0.118 0.000 1.135 193 I CA 0.405 61.742 61.300 0.060 0.000 1.436 193 I CB 0.209 38.223 38.000 0.024 0.000 1.670 193 I HN -0.139 nan 8.210 nan 0.000 0.424 194 I N 1.927 122.482 120.570 -0.025 0.000 2.389 194 I HA 0.270 4.440 4.170 0.000 0.000 0.288 194 I C -1.291 174.831 176.117 0.008 0.000 0.999 194 I CA -0.512 60.843 61.300 0.091 0.000 1.129 194 I CB 0.981 39.015 38.000 0.056 0.000 1.288 194 I HN 0.038 nan 8.210 nan 0.000 0.444 195 Y N 4.717 125.113 120.300 0.160 0.000 2.334 195 Y HA 0.400 4.950 4.550 0.000 0.000 0.336 195 Y C 0.395 176.364 175.900 0.115 0.000 0.960 195 Y CA -0.863 57.333 58.100 0.160 0.000 1.164 195 Y CB 0.982 39.613 38.460 0.285 0.000 1.155 195 Y HN 0.407 nan 8.280 nan 0.000 0.478 196 N N 2.147 120.922 118.700 0.125 0.000 2.424 196 N HA 0.354 5.095 4.740 0.000 0.000 0.271 196 N C 0.881 176.342 175.510 -0.082 0.000 0.985 196 N CA 0.440 53.493 53.050 0.005 0.000 0.921 196 N CB 1.873 40.267 38.487 -0.154 0.000 1.149 196 N HN 0.972 nan 8.380 nan 0.000 0.492 197 G N 1.529 110.291 108.800 -0.064 0.000 2.179 197 G HA2 -0.256 3.704 3.960 0.000 0.000 0.260 197 G HA3 -0.256 3.704 3.960 0.000 0.000 0.260 197 G C 0.129 174.889 174.900 -0.233 0.000 0.977 197 G CA 0.779 45.771 45.100 -0.180 0.000 0.641 197 G HN 0.668 nan 8.290 nan 0.000 0.533 198 I N -1.936 118.571 120.570 -0.105 0.000 2.969 198 I HA 0.810 4.981 4.170 0.000 0.000 0.307 198 I C 0.240 176.407 176.117 0.085 0.000 1.149 198 I CA -0.651 60.504 61.300 -0.242 0.000 1.008 198 I CB 2.018 39.709 38.000 -0.516 0.000 1.232 198 I HN 0.174 nan 8.210 nan 0.000 0.435 199 T N -0.462 114.076 114.554 -0.026 0.000 2.918 199 T HA 0.397 4.747 4.350 0.000 0.000 0.283 199 T C -0.193 174.331 174.700 -0.294 0.000 1.001 199 T CA -0.655 61.286 62.100 -0.266 0.000 1.041 199 T CB 1.382 70.165 68.868 -0.141 0.000 1.028 199 T HN 0.761 nan 8.240 nan 0.000 0.511 200 D N 0.255 120.222 120.400 -0.722 0.000 2.478 200 D HA 0.039 4.679 4.640 0.000 0.000 0.274 200 D C 0.991 177.223 176.300 -0.113 0.000 1.234 200 D CA -1.069 52.522 54.000 -0.681 0.000 1.069 200 D CB 0.081 40.411 40.800 -0.782 0.000 1.113 200 D HN 0.701 nan 8.370 nan 0.000 0.571 201 W N 0.022 121.282 121.300 -0.066 0.000 2.315 201 W HA -0.231 4.429 4.660 0.000 0.000 0.323 201 W C 2.224 178.642 176.519 -0.167 0.000 1.233 201 W CA 2.486 59.777 57.345 -0.091 0.000 1.267 201 W CB -0.508 28.841 29.460 -0.185 0.000 1.160 201 W HN 0.179 nan 8.180 nan 0.000 0.474 202 V N -0.149 119.849 119.914 0.140 0.000 2.427 202 V HA -0.300 3.821 4.120 0.000 0.000 0.248 202 V C 1.909 177.840 176.094 -0.272 0.000 1.051 202 V CA 2.066 64.329 62.300 -0.062 0.000 1.048 202 V CB -0.770 31.015 31.823 -0.064 0.000 0.666 202 V HN 0.311 nan 8.190 nan 0.000 0.456 203 Y N 0.601 120.724 120.300 -0.295 0.000 2.242 203 Y HA -0.164 4.386 4.550 0.000 0.000 0.291 203 Y C 2.588 178.380 175.900 -0.181 0.000 1.137 203 Y CA 2.107 60.035 58.100 -0.288 0.000 1.181 203 Y CB -0.061 38.096 38.460 -0.505 0.000 0.989 203 Y HN 0.390 nan 8.280 nan 0.000 0.527 204 E N 0.264 120.418 120.200 -0.077 0.000 2.031 204 E HA -0.287 4.063 4.350 0.000 0.000 0.193 204 E C 2.014 178.567 176.600 -0.078 0.000 0.994 204 E CA 1.562 57.945 56.400 -0.027 0.000 0.800 204 E CB 0.008 29.684 29.700 -0.040 0.000 0.752 204 E HN 0.399 nan 8.360 nan 0.000 0.447 205 E N 0.271 120.247 120.200 -0.372 0.000 2.051 205 E HA -0.145 4.206 4.350 0.000 0.000 0.189 205 E C 1.672 178.158 176.600 -0.189 0.000 0.979 205 E CA 1.465 57.641 56.400 -0.374 0.000 0.803 205 E CB 0.143 29.291 29.700 -0.920 0.000 0.761 205 E HN 0.214 nan 8.360 nan 0.000 0.451 206 E N -0.687 119.374 120.200 -0.233 0.000 2.431 206 E HA 0.084 4.434 4.350 0.000 0.000 0.200 206 E C 1.694 178.153 176.600 -0.235 0.000 0.995 206 E CA 0.353 56.657 56.400 -0.160 0.000 0.915 206 E CB 0.944 30.545 29.700 -0.165 0.000 0.930 206 E HN 0.205 nan 8.360 nan 0.000 0.496 207 V N -0.523 119.197 119.914 -0.322 0.000 2.870 207 V HA 0.049 4.169 4.120 0.000 0.000 0.232 207 V C 1.445 177.293 176.094 -0.410 0.000 1.161 207 V CA 0.651 62.668 62.300 -0.471 0.000 1.204 207 V CB -0.293 31.077 31.823 -0.756 0.000 1.003 207 V HN 0.017 nan 8.190 nan 0.000 0.499 208 F N 0.739 120.702 119.950 0.021 0.000 2.754 208 F HA 0.270 4.797 4.527 0.000 0.000 0.297 208 F C 1.549 177.313 175.800 -0.059 0.000 1.122 208 F CA 0.327 58.355 58.000 0.046 0.000 1.400 208 F CB -0.326 38.750 39.000 0.127 0.000 1.117 208 F HN 0.083 nan 8.300 nan 0.000 0.587 209 S N 0.393 116.107 115.700 0.025 0.000 3.614 209 S HA 0.011 4.481 4.470 0.000 0.000 0.360 209 S C 0.045 174.251 174.600 -0.656 0.000 1.023 209 S CA 0.388 58.475 58.200 -0.189 0.000 1.114 209 S CB -1.811 61.330 63.200 -0.098 0.000 0.907 209 S HN 0.678 nan 8.310 nan 0.000 0.470 210 A N -0.536 122.112 122.820 -0.286 0.000 2.599 210 A HA 0.681 5.001 4.320 0.000 0.000 0.294 210 A C -0.301 177.254 177.584 -0.049 0.000 1.055 210 A CA -0.490 51.393 52.037 -0.256 0.000 0.683 210 A CB 0.318 19.188 19.000 -0.216 0.000 1.278 210 A HN 0.361 nan 8.150 nan 0.000 0.412 211 Y N 1.869 122.012 120.300 -0.261 0.000 2.365 211 Y HA 0.125 4.675 4.550 0.000 0.000 0.293 211 Y C 1.567 177.177 175.900 -0.482 0.000 1.119 211 Y CA 0.835 58.783 58.100 -0.253 0.000 1.203 211 Y CB -0.057 38.291 38.460 -0.185 0.000 1.026 211 Y HN 0.773 nan 8.280 nan 0.000 0.549 212 S N 0.530 115.700 115.700 -0.883 0.000 2.564 212 S HA 0.511 4.981 4.470 0.000 0.000 0.278 212 S C 0.317 174.383 174.600 -0.891 0.000 1.333 212 S CA -0.130 57.316 58.200 -1.256 0.000 1.048 212 S CB 1.436 63.452 63.200 -1.974 0.000 0.900 212 S HN 0.434 nan 8.310 nan 0.000 0.505 213 A N 3.472 125.779 122.820 -0.855 0.000 2.795 213 A HA 0.553 4.873 4.320 0.000 0.000 0.282 213 A C -0.344 176.529 177.584 -1.186 0.000 0.964 213 A CA -0.599 50.859 52.037 -0.965 0.000 1.045 213 A CB -0.116 18.770 19.000 -0.189 0.000 1.174 213 A HN 0.789 nan 8.150 nan 0.000 0.493 214 L N 0.256 120.697 121.223 -1.303 0.000 2.365 214 L HA 0.612 4.953 4.340 0.000 0.000 0.273 214 L C -1.114 175.254 176.870 -0.836 0.000 1.000 214 L CA -0.598 53.787 54.840 -0.759 0.000 0.819 214 L CB 1.928 43.772 42.059 -0.359 0.000 1.284 214 L HN 0.432 nan 8.230 nan 0.000 0.418 215 W N 2.308 123.649 121.300 0.068 0.000 2.591 215 W HA 0.223 4.883 4.660 0.000 0.000 0.311 215 W C -1.064 175.665 176.519 0.350 0.000 1.003 215 W CA -1.108 56.399 57.345 0.270 0.000 1.332 215 W CB 1.245 30.925 29.460 0.366 0.000 1.272 215 W HN 0.491 nan 8.180 nan 0.000 0.412 216 W N 2.356 123.843 121.300 0.311 0.000 2.170 216 W HA 0.217 4.877 4.660 0.000 0.000 0.336 216 W C 1.326 177.601 176.519 -0.407 0.000 1.283 216 W CA 0.411 57.785 57.345 0.048 0.000 1.224 216 W CB 0.810 30.284 29.460 0.023 0.000 1.132 216 W HN 0.176 nan 8.180 nan 0.000 0.571 217 S N 2.222 117.627 115.700 -0.492 0.000 2.603 217 S HA 0.230 4.700 4.470 0.000 0.000 0.268 217 S C -1.811 172.515 174.600 -0.457 0.000 1.317 217 S CA -1.079 56.290 58.200 -1.385 0.000 1.012 217 S CB 1.200 63.726 63.200 -1.123 0.000 0.926 217 S HN 0.274 nan 8.310 nan 0.000 0.539 218 P HA -0.204 nan 4.420 nan 0.000 0.217 218 P C 0.815 178.080 177.300 -0.057 0.000 1.158 218 P CA 1.881 64.939 63.100 -0.071 0.000 0.887 218 P CB -0.203 31.505 31.700 0.013 0.000 0.792 219 N N -2.574 116.086 118.700 -0.066 0.000 2.230 219 N HA 0.157 4.897 4.740 0.000 0.000 0.202 219 N C 1.077 176.517 175.510 -0.116 0.000 1.119 219 N CA 0.512 53.521 53.050 -0.069 0.000 0.851 219 N CB -0.536 37.930 38.487 -0.035 0.000 0.990 219 N HN 0.209 nan 8.380 nan 0.000 0.497 220 G N -0.988 107.747 108.800 -0.107 0.000 2.176 220 G HA2 -0.348 3.612 3.960 0.000 0.000 0.253 220 G HA3 -0.348 3.612 3.960 0.000 0.000 0.253 220 G C 1.015 175.956 174.900 0.069 0.000 0.979 220 G CA 0.704 45.743 45.100 -0.102 0.000 0.641 220 G HN 0.358 nan 8.290 nan 0.000 0.530 221 T N 0.268 114.794 114.554 -0.046 0.000 2.643 221 T HA 0.142 4.492 4.350 0.000 0.000 0.264 221 T C 0.953 175.504 174.700 -0.248 0.000 1.045 221 T CA 1.489 63.456 62.100 -0.223 0.000 1.155 221 T CB -0.141 68.462 68.868 -0.441 0.000 0.863 221 T HN 0.325 nan 8.240 nan 0.000 0.420 222 F N 0.344 120.319 119.950 0.041 0.000 2.425 222 F HA 0.606 5.133 4.527 0.000 0.000 0.331 222 F C -0.169 175.667 175.800 0.060 0.000 1.085 222 F CA -1.441 56.611 58.000 0.087 0.000 1.028 222 F CB 0.985 40.124 39.000 0.232 0.000 1.177 222 F HN -0.074 nan 8.300 nan 0.000 0.487 223 L N 2.818 124.143 121.223 0.171 0.000 2.342 223 L HA 0.787 5.127 4.340 0.000 0.000 0.276 223 L C -0.597 176.337 176.870 0.107 0.000 0.997 223 L CA -0.490 54.263 54.840 -0.147 0.000 0.838 223 L CB 0.646 42.340 42.059 -0.608 0.000 1.224 223 L HN 0.676 nan 8.230 nan 0.000 0.416 224 A N 4.647 127.624 122.820 0.261 0.000 2.295 224 A HA 0.800 5.120 4.320 0.000 0.000 0.318 224 A C -1.334 176.344 177.584 0.157 0.000 1.134 224 A CA -0.200 51.893 52.037 0.094 0.000 0.827 224 A CB 0.595 19.716 19.000 0.203 0.000 1.136 224 A HN 0.928 nan 8.150 nan 0.000 0.493 225 Y N -2.112 118.012 120.300 -0.293 0.000 2.656 225 Y HA 0.741 5.291 4.550 0.000 0.000 0.334 225 Y C -0.426 175.371 175.900 -0.171 0.000 1.179 225 Y CA -0.874 57.156 58.100 -0.117 0.000 1.050 225 Y CB 0.766 39.110 38.460 -0.193 0.000 1.308 225 Y HN 0.973 nan 8.280 nan 0.000 0.456 226 A N 1.877 124.804 122.820 0.179 0.000 2.330 226 A HA 0.727 5.047 4.320 0.000 0.000 0.329 226 A C -1.310 176.173 177.584 -0.168 0.000 1.135 226 A CA -0.881 51.123 52.037 -0.055 0.000 0.817 226 A CB 1.899 20.846 19.000 -0.090 0.000 1.269 226 A HN 0.821 nan 8.150 nan 0.000 0.469 227 Q N 0.911 120.529 119.800 -0.304 0.000 2.321 227 Q HA 0.608 4.949 4.340 0.000 0.000 0.270 227 Q C -2.071 173.696 176.000 -0.389 0.000 1.032 227 Q CA -0.346 55.371 55.803 -0.143 0.000 0.784 227 Q CB 1.092 29.971 28.738 0.235 0.000 1.264 227 Q HN 0.604 nan 8.270 nan 0.000 0.448 228 F N 2.325 122.370 119.950 0.158 0.000 2.443 228 F HA 0.420 4.947 4.527 0.000 0.000 0.335 228 F C 0.460 176.403 175.800 0.239 0.000 1.104 228 F CA -0.922 57.143 58.000 0.109 0.000 1.013 228 F CB 1.378 40.338 39.000 -0.066 0.000 1.136 228 F HN 0.431 nan 8.300 nan 0.000 0.470 229 N N 2.053 120.966 118.700 0.355 0.000 2.518 229 N HA 0.208 4.948 4.740 0.000 0.000 0.254 229 N C -0.847 174.835 175.510 0.287 0.000 0.979 229 N CA -0.321 52.906 53.050 0.295 0.000 0.930 229 N CB 1.016 39.624 38.487 0.201 0.000 1.152 229 N HN 0.561 nan 8.380 nan 0.000 0.505 230 D N 1.380 121.976 120.400 0.327 0.000 2.368 230 D HA 0.102 4.742 4.640 0.000 0.000 0.218 230 D C 1.308 177.729 176.300 0.203 0.000 1.112 230 D CA 0.154 54.321 54.000 0.278 0.000 0.834 230 D CB 0.492 41.508 40.800 0.360 0.000 0.953 230 D HN 0.461 nan 8.370 nan 0.000 0.505 231 T N 0.781 115.437 114.554 0.171 0.000 2.635 231 T HA -0.262 4.088 4.350 0.000 0.000 0.265 231 T C 1.263 176.024 174.700 0.101 0.000 1.058 231 T CA 1.500 63.672 62.100 0.121 0.000 1.162 231 T CB -0.129 68.799 68.868 0.099 0.000 0.859 231 T HN 0.368 nan 8.240 nan 0.000 0.449 232 E N 0.329 120.589 120.200 0.100 0.000 2.465 232 E HA 0.193 4.543 4.350 0.000 0.000 0.195 232 E C -0.466 176.186 176.600 0.087 0.000 1.028 232 E CA -0.259 56.190 56.400 0.081 0.000 0.899 232 E CB 0.513 30.253 29.700 0.068 0.000 1.032 232 E HN 0.223 nan 8.360 nan 0.000 0.468 233 V N 3.496 123.475 119.914 0.110 0.000 2.488 233 V HA 0.115 4.235 4.120 0.000 0.000 0.277 233 V C -1.965 174.188 176.094 0.099 0.000 1.046 233 V CA -1.610 60.758 62.300 0.112 0.000 0.986 233 V CB 0.441 32.350 31.823 0.142 0.000 0.989 233 V HN 0.045 nan 8.190 nan 0.000 0.475 234 P HA 0.231 nan 4.420 nan 0.000 0.270 234 P C -0.756 176.584 177.300 0.067 0.000 1.223 234 P CA -0.196 62.943 63.100 0.065 0.000 0.785 234 P CB 0.500 32.235 31.700 0.059 0.000 0.923 235 L N 1.739 122.979 121.223 0.029 0.000 2.317 235 L HA 0.466 4.806 4.340 0.000 0.000 0.281 235 L C 0.222 177.049 176.870 -0.072 0.000 1.024 235 L CA -1.043 53.797 54.840 0.000 0.000 0.810 235 L CB 1.214 43.267 42.059 -0.010 0.000 1.240 235 L HN 0.285 nan 8.230 nan 0.000 0.427 236 I N 2.456 122.937 120.570 -0.149 0.000 2.428 236 I HA 0.254 4.424 4.170 0.000 0.000 0.289 236 I C -0.339 175.626 176.117 -0.253 0.000 1.019 236 I CA 0.189 61.303 61.300 -0.310 0.000 1.351 236 I CB 0.796 38.362 38.000 -0.722 0.000 1.412 236 I HN 0.571 nan 8.210 nan 0.000 0.513 237 E N 7.408 127.479 120.200 -0.215 0.000 2.248 237 E HA 0.523 4.873 4.350 0.000 0.000 0.267 237 E C -1.780 174.747 176.600 -0.122 0.000 0.877 237 E CA -0.601 55.669 56.400 -0.217 0.000 0.759 237 E CB 2.118 31.725 29.700 -0.155 0.000 1.182 237 E HN 0.576 nan 8.360 nan 0.000 0.418 238 Y N -1.863 118.348 120.300 -0.148 0.000 2.609 238 Y HA 0.526 5.076 4.550 0.000 0.000 0.336 238 Y C -0.785 175.047 175.900 -0.113 0.000 1.129 238 Y CA -1.253 56.768 58.100 -0.133 0.000 1.040 238 Y CB 0.761 39.144 38.460 -0.128 0.000 1.310 238 Y HN 0.225 nan 8.280 nan 0.000 0.460 239 S N 1.874 117.577 115.700 0.005 0.000 2.584 239 S HA 0.530 5.000 4.470 0.000 0.000 0.273 239 S C -1.416 173.057 174.600 -0.212 0.000 1.311 239 S CA -0.376 57.694 58.200 -0.218 0.000 1.034 239 S CB 0.602 63.538 63.200 -0.439 0.000 0.939 239 S HN 0.542 nan 8.310 nan 0.000 0.513 240 F N 1.884 121.575 119.950 -0.432 0.000 2.507 240 F HA 0.446 4.973 4.527 0.000 0.000 0.328 240 F C -0.359 175.184 175.800 -0.429 0.000 1.136 240 F CA -0.916 56.915 58.000 -0.281 0.000 0.930 240 F CB 0.857 39.816 39.000 -0.068 0.000 1.166 240 F HN 0.616 nan 8.300 nan 0.000 0.436 241 Y N 2.705 122.790 120.300 -0.358 0.000 2.397 241 Y HA 0.138 4.688 4.550 0.000 0.000 0.292 241 Y C 1.711 177.533 175.900 -0.130 0.000 1.115 241 Y CA 1.125 59.109 58.100 -0.193 0.000 1.208 241 Y CB -0.654 37.684 38.460 -0.203 0.000 1.046 241 Y HN 0.732 nan 8.280 nan 0.000 0.552 242 S N -0.383 115.205 115.700 -0.188 0.000 3.513 242 S HA -0.215 4.255 4.470 0.000 0.000 0.636 242 S C -0.536 174.107 174.600 0.072 0.000 2.452 242 S CA 0.199 58.455 58.200 0.093 0.000 2.644 242 S CB -1.210 62.151 63.200 0.269 0.000 0.331 242 S HN 0.442 nan 8.310 nan 0.000 1.787 243 D N 1.494 121.956 120.400 0.105 0.000 2.378 243 D HA 0.153 4.793 4.640 0.000 0.000 0.238 243 D C 1.411 177.744 176.300 0.055 0.000 1.180 243 D CA 0.381 54.423 54.000 0.071 0.000 0.895 243 D CB 0.176 41.019 40.800 0.071 0.000 1.192 243 D HN 0.620 nan 8.370 nan 0.000 0.438 244 E N 0.403 120.624 120.200 0.035 0.000 2.187 244 E HA -0.241 4.109 4.350 0.000 0.000 0.199 244 E C 1.623 178.238 176.600 0.025 0.000 1.004 244 E CA 1.454 57.867 56.400 0.021 0.000 0.813 244 E CB 0.130 29.836 29.700 0.010 0.000 0.736 244 E HN 0.460 nan 8.360 nan 0.000 0.468 245 S N 0.151 115.872 115.700 0.034 0.000 2.442 245 S HA -0.147 4.323 4.470 0.000 0.000 0.236 245 S C 0.925 175.552 174.600 0.045 0.000 1.007 245 S CA 0.065 58.285 58.200 0.034 0.000 0.965 245 S CB -0.167 63.055 63.200 0.037 0.000 0.773 245 S HN 0.211 nan 8.310 nan 0.000 0.504 246 L N 2.650 123.909 121.223 0.060 0.000 2.456 246 L HA 0.277 4.618 4.340 0.000 0.000 0.277 246 L C 1.413 178.322 176.870 0.064 0.000 1.124 246 L CA 0.128 55.016 54.840 0.079 0.000 0.880 246 L CB 0.421 42.541 42.059 0.103 0.000 1.192 246 L HN 0.303 nan 8.230 nan 0.000 0.463 247 Q N 3.958 123.798 119.800 0.067 0.000 2.079 247 Q HA -0.101 4.240 4.340 0.000 0.000 0.200 247 Q C -0.512 175.422 176.000 -0.110 0.000 0.974 247 Q CA 1.344 57.137 55.803 -0.016 0.000 0.840 247 Q CB 0.137 28.884 28.738 0.015 0.000 0.898 247 Q HN 0.662 nan 8.270 nan 0.000 0.430 248 Y N 1.314 121.629 120.300 0.026 0.000 2.335 248 Y HA 0.378 4.928 4.550 0.000 0.000 0.338 248 Y C -2.012 173.899 175.900 0.019 0.000 0.977 248 Y CA -2.917 55.194 58.100 0.020 0.000 1.114 248 Y CB 1.299 39.762 38.460 0.005 0.000 1.182 248 Y HN 0.184 nan 8.280 nan 0.000 0.463 249 P HA 0.029 nan 4.420 nan 0.000 0.269 249 P C -0.783 176.525 177.300 0.013 0.000 1.209 249 P CA -0.403 62.715 63.100 0.030 0.000 0.776 249 P CB 1.275 32.934 31.700 -0.070 0.000 0.876 250 K N 0.961 121.356 120.400 -0.008 0.000 2.118 250 K HA 0.315 4.635 4.320 0.000 0.000 0.267 250 K C -0.613 175.946 176.600 -0.069 0.000 0.991 250 K CA -0.389 55.894 56.287 -0.006 0.000 0.916 250 K CB 0.544 33.070 32.500 0.043 0.000 1.041 250 K HN 0.299 nan 8.250 nan 0.000 0.455 251 T N 3.091 117.591 114.554 -0.091 0.000 2.770 251 T HA 0.227 4.577 4.350 0.000 0.000 0.297 251 T C -0.623 173.956 174.700 -0.203 0.000 0.997 251 T CA -0.620 61.391 62.100 -0.148 0.000 0.949 251 T CB 0.909 69.704 68.868 -0.121 0.000 0.941 251 T HN 0.317 nan 8.240 nan 0.000 0.457 252 V N 5.407 125.112 119.914 -0.348 0.000 2.649 252 V HA 0.426 4.546 4.120 0.000 0.000 0.292 252 V C 0.468 176.301 176.094 -0.436 0.000 1.055 252 V CA -0.416 61.630 62.300 -0.424 0.000 1.023 252 V CB 0.803 32.225 31.823 -0.669 0.000 0.992 252 V HN 0.712 nan 8.190 nan 0.000 0.480 253 R N 3.270 123.633 120.500 -0.228 0.000 2.502 253 R HA 0.712 5.052 4.340 0.000 0.000 0.300 253 R C -1.800 174.483 176.300 -0.029 0.000 0.984 253 R CA -0.601 55.410 56.100 -0.148 0.000 0.882 253 R CB 2.203 32.450 30.300 -0.089 0.000 1.180 253 R HN 0.488 nan 8.270 nan 0.000 0.444 254 V N 3.892 123.790 119.914 -0.028 0.000 2.577 254 V HA 0.329 4.449 4.120 0.000 0.000 0.303 254 V C -2.389 173.757 176.094 0.087 0.000 1.042 254 V CA -2.432 59.921 62.300 0.089 0.000 0.872 254 V CB 2.288 34.126 31.823 0.024 0.000 0.998 254 V HN 0.596 nan 8.190 nan 0.000 0.423 255 P HA 0.151 nan 4.420 nan 0.000 0.265 255 P C -1.332 176.079 177.300 0.186 0.000 1.222 255 P CA 0.480 63.691 63.100 0.185 0.000 0.767 255 P CB -0.204 31.651 31.700 0.259 0.000 0.801 256 Y N 6.411 126.689 120.300 -0.035 0.000 2.315 256 Y HA 0.375 4.925 4.550 0.000 0.000 0.324 256 Y C -2.612 173.260 175.900 -0.047 0.000 1.062 256 Y CA -2.757 55.271 58.100 -0.119 0.000 1.159 256 Y CB 2.078 40.340 38.460 -0.329 0.000 1.145 256 Y HN 0.301 nan 8.280 nan 0.000 0.442 257 P HA 0.219 nan 4.420 nan 0.000 0.286 257 P C -1.118 176.231 177.300 0.082 0.000 1.321 257 P CA -0.181 62.960 63.100 0.068 0.000 0.790 257 P CB 1.416 33.139 31.700 0.040 0.000 0.897 258 K N 2.052 122.580 120.400 0.213 0.000 2.102 258 K HA 0.500 4.820 4.320 0.000 0.000 0.244 258 K C 0.569 177.265 176.600 0.160 0.000 1.021 258 K CA -0.721 55.709 56.287 0.239 0.000 0.913 258 K CB 0.551 33.204 32.500 0.254 0.000 1.062 258 K HN 0.451 nan 8.250 nan 0.000 0.485 259 A N 0.754 123.692 122.820 0.197 0.000 2.580 259 A HA 0.239 4.559 4.320 0.000 0.000 0.244 259 A C 1.230 178.851 177.584 0.062 0.000 1.045 259 A CA 1.100 53.240 52.037 0.172 0.000 0.761 259 A CB -1.248 17.932 19.000 0.300 0.000 0.962 259 A HN 0.912 nan 8.150 nan 0.000 0.512 260 G N 1.001 109.827 108.800 0.044 0.000 2.205 260 G HA2 0.087 4.047 3.960 0.000 0.000 0.261 260 G HA3 0.087 4.047 3.960 0.000 0.000 0.261 260 G C 0.717 175.630 174.900 0.022 0.000 0.980 260 G CA 0.850 45.950 45.100 0.001 0.000 0.632 260 G HN 2.235 nan 8.290 nan 0.000 0.533 261 A N -0.236 122.613 122.820 0.049 0.000 2.280 261 A HA 0.720 5.041 4.320 0.000 0.000 0.268 261 A C 0.893 178.510 177.584 0.056 0.000 1.111 261 A CA 0.329 52.398 52.037 0.055 0.000 0.814 261 A CB 0.648 19.695 19.000 0.077 0.000 1.093 261 A HN 1.190 nan 8.150 nan 0.000 0.498 262 V N 2.004 121.951 119.914 0.056 0.000 2.540 262 V HA -0.014 4.106 4.120 0.000 0.000 0.297 262 V C 0.669 176.810 176.094 0.078 0.000 1.024 262 V CA 0.401 62.736 62.300 0.058 0.000 1.105 262 V CB -0.487 31.371 31.823 0.058 0.000 0.938 262 V HN 0.869 nan 8.190 nan 0.000 0.482 263 N N 5.767 124.514 118.700 0.078 0.000 2.476 263 N HA 0.448 5.188 4.740 0.000 0.000 0.275 263 N C -2.454 173.142 175.510 0.145 0.000 1.190 263 N CA -1.346 51.775 53.050 0.117 0.000 0.977 263 N CB 1.382 39.937 38.487 0.113 0.000 1.200 263 N HN 0.481 nan 8.380 nan 0.000 0.515 264 P HA 0.056 nan 4.420 nan 0.000 0.274 264 P C -0.763 176.694 177.300 0.260 0.000 1.231 264 P CA -0.174 63.081 63.100 0.258 0.000 0.790 264 P CB 0.728 32.622 31.700 0.323 0.000 0.951 265 T N -1.272 113.412 114.554 0.217 0.000 2.927 265 T HA 0.565 4.915 4.350 0.000 0.000 0.281 265 T C -0.164 174.658 174.700 0.203 0.000 0.998 265 T CA -0.809 61.382 62.100 0.151 0.000 1.019 265 T CB 1.466 70.396 68.868 0.104 0.000 1.061 265 T HN 0.348 nan 8.240 nan 0.000 0.518 266 V N 0.450 120.457 119.914 0.155 0.000 2.925 266 V HA 0.747 4.867 4.120 0.000 0.000 0.311 266 V C -1.579 174.589 176.094 0.122 0.000 1.104 266 V CA -0.874 61.488 62.300 0.102 0.000 0.954 266 V CB 2.088 34.012 31.823 0.170 0.000 1.022 266 V HN 1.043 nan 8.190 nan 0.000 0.427 267 K N 4.513 124.910 120.400 -0.005 0.000 2.469 267 K HA 0.558 4.878 4.320 0.000 0.000 0.254 267 K C -1.930 174.553 176.600 -0.195 0.000 0.939 267 K CA -0.494 55.748 56.287 -0.074 0.000 0.812 267 K CB 2.825 35.246 32.500 -0.131 0.000 1.301 267 K HN 0.548 nan 8.250 nan 0.000 0.433 268 F N 2.205 121.847 119.950 -0.514 0.000 2.495 268 F HA 0.586 5.113 4.527 0.000 0.000 0.327 268 F C -1.384 173.871 175.800 -0.909 0.000 1.103 268 F CA -0.739 56.940 58.000 -0.536 0.000 0.949 268 F CB 0.834 39.657 39.000 -0.296 0.000 1.142 268 F HN 0.382 nan 8.300 nan 0.000 0.457 269 F N 3.656 122.882 119.950 -1.207 0.000 2.613 269 F HA 0.755 5.283 4.527 0.000 0.000 0.314 269 F C -0.999 174.132 175.800 -1.114 0.000 1.075 269 F CA -1.165 56.211 58.000 -1.041 0.000 0.945 269 F CB 2.116 40.390 39.000 -1.209 0.000 1.310 269 F HN 0.123 nan 8.300 nan 0.000 0.467 270 V N 2.460 122.151 119.914 -0.372 0.000 2.686 270 V HA 0.656 4.776 4.120 0.000 0.000 0.306 270 V C -1.270 174.901 176.094 0.128 0.000 1.065 270 V CA -0.813 61.352 62.300 -0.225 0.000 0.894 270 V CB 2.061 33.555 31.823 -0.548 0.000 1.004 270 V HN 0.612 nan 8.190 nan 0.000 0.424 271 V N 4.425 124.477 119.914 0.230 0.000 2.735 271 V HA 0.604 4.724 4.120 0.000 0.000 0.310 271 V C -0.563 175.693 176.094 0.269 0.000 1.061 271 V CA -0.609 61.841 62.300 0.250 0.000 0.913 271 V CB 2.229 34.146 31.823 0.157 0.000 1.005 271 V HN 0.919 nan 8.190 nan 0.000 0.428 272 N N 3.257 122.078 118.700 0.201 0.000 2.408 272 N HA 0.164 4.904 4.740 0.000 0.000 0.257 272 N C 0.936 176.394 175.510 -0.086 0.000 1.064 272 N CA 0.553 53.587 53.050 -0.026 0.000 0.952 272 N CB 1.797 40.242 38.487 -0.070 0.000 1.093 272 N HN 0.921 nan 8.380 nan 0.000 0.490 273 T N -0.413 114.077 114.554 -0.108 0.000 3.100 273 T HA 0.076 4.426 4.350 0.000 0.000 0.253 273 T C 0.575 175.191 174.700 -0.141 0.000 1.118 273 T CA 0.376 62.420 62.100 -0.093 0.000 1.058 273 T CB 0.212 69.121 68.868 0.068 0.000 0.953 273 T HN 0.257 nan 8.240 nan 0.000 0.515 274 D N 2.122 122.423 120.400 -0.165 0.000 2.333 274 D HA 0.054 4.694 4.640 0.000 0.000 0.208 274 D C 1.236 177.459 176.300 -0.129 0.000 0.984 274 D CA 0.666 54.578 54.000 -0.147 0.000 0.873 274 D CB 0.176 40.877 40.800 -0.165 0.000 0.935 274 D HN 0.623 nan 8.370 nan 0.000 0.521 275 S N 0.087 115.710 115.700 -0.129 0.000 2.457 275 S HA 0.342 4.812 4.470 0.000 0.000 0.237 275 S C 0.197 174.731 174.600 -0.110 0.000 1.213 275 S CA -0.631 57.517 58.200 -0.087 0.000 1.218 275 S CB -0.304 62.873 63.200 -0.038 0.000 0.922 275 S HN -0.023 nan 8.310 nan 0.000 0.488 276 L N 1.631 122.717 121.223 -0.229 0.000 2.334 276 L HA 0.657 4.998 4.340 0.000 0.000 0.277 276 L C 0.429 177.192 176.870 -0.178 0.000 1.075 276 L CA -0.386 54.248 54.840 -0.343 0.000 0.804 276 L CB 1.661 43.179 42.059 -0.902 0.000 1.174 276 L HN 0.387 nan 8.230 nan 0.000 0.438 277 S N 0.080 115.805 115.700 0.043 0.000 2.568 277 S HA 0.370 4.840 4.470 0.000 0.000 0.293 277 S C 0.485 175.295 174.600 0.351 0.000 1.089 277 S CA -0.559 57.761 58.200 0.201 0.000 0.945 277 S CB 1.959 65.226 63.200 0.112 0.000 1.077 277 S HN 0.570 nan 8.310 nan 0.000 0.485 278 S N 1.613 117.475 115.700 0.271 0.000 2.548 278 S HA 0.020 4.490 4.470 0.000 0.000 0.215 278 S C 1.566 176.232 174.600 0.110 0.000 0.976 278 S CA 0.612 58.905 58.200 0.155 0.000 0.908 278 S CB 0.065 63.301 63.200 0.060 0.000 0.781 278 S HN 0.784 nan 8.310 nan 0.000 0.519 279 V N -1.791 118.187 119.914 0.106 0.000 3.085 279 V HA 0.300 4.421 4.120 0.000 0.000 0.245 279 V C 0.807 176.941 176.094 0.066 0.000 1.114 279 V CA 0.584 62.926 62.300 0.071 0.000 1.108 279 V CB 0.050 31.905 31.823 0.054 0.000 0.798 279 V HN 0.282 nan 8.190 nan 0.000 0.471 280 T N 1.260 115.863 114.554 0.080 0.000 2.908 280 T HA 0.440 4.791 4.350 0.000 0.000 0.290 280 T C -0.587 174.171 174.700 0.096 0.000 1.034 280 T CA -0.676 61.461 62.100 0.062 0.000 1.010 280 T CB 1.294 70.189 68.868 0.045 0.000 1.068 280 T HN 0.405 nan 8.240 nan 0.000 0.481 281 N N 2.285 121.029 118.700 0.073 0.000 2.513 281 N HA 0.407 5.147 4.740 0.000 0.000 0.268 281 N C 0.189 175.763 175.510 0.107 0.000 1.180 281 N CA -0.143 52.985 53.050 0.130 0.000 0.948 281 N CB 1.123 39.652 38.487 0.071 0.000 1.083 281 N HN 0.856 nan 8.380 nan 0.000 0.455 282 A N 1.842 124.735 122.820 0.122 0.000 2.547 282 A HA 0.172 4.493 4.320 0.000 0.000 0.233 282 A C 0.218 177.843 177.584 0.069 0.000 1.067 282 A CA 0.286 52.364 52.037 0.068 0.000 0.763 282 A CB -0.020 18.997 19.000 0.030 0.000 1.007 282 A HN 0.561 nan 8.150 nan 0.000 0.506 283 T N 2.354 116.951 114.554 0.071 0.000 2.756 283 T HA 0.445 4.795 4.350 0.000 0.000 0.290 283 T C -0.092 174.677 174.700 0.115 0.000 0.985 283 T CA -0.124 62.027 62.100 0.086 0.000 0.955 283 T CB 0.859 69.785 68.868 0.096 0.000 0.930 283 T HN 0.531 nan 8.240 nan 0.000 0.451 284 S N 3.811 119.569 115.700 0.096 0.000 2.457 284 S HA 0.438 4.908 4.470 0.000 0.000 0.289 284 S C 0.129 174.860 174.600 0.218 0.000 1.163 284 S CA -0.804 57.474 58.200 0.130 0.000 1.078 284 S CB 0.295 63.495 63.200 0.000 0.000 0.987 284 S HN 0.474 nan 8.310 nan 0.000 0.482 285 I N 3.427 124.159 120.570 0.269 0.000 2.342 285 I HA 0.272 4.442 4.170 0.000 0.000 0.291 285 I C 0.574 176.836 176.117 0.242 0.000 1.010 285 I CA -0.281 61.196 61.300 0.294 0.000 1.308 285 I CB 0.910 39.155 38.000 0.408 0.000 1.400 285 I HN 0.668 nan 8.210 nan 0.000 0.488 286 Q N 6.190 126.115 119.800 0.208 0.000 2.259 286 Q HA 0.514 4.854 4.340 0.000 0.000 0.249 286 Q C -1.132 174.835 176.000 -0.055 0.000 0.914 286 Q CA -0.454 55.298 55.803 -0.085 0.000 0.904 286 Q CB 1.456 30.096 28.738 -0.163 0.000 1.213 286 Q HN 0.567 nan 8.270 nan 0.000 0.428 287 I N 4.117 124.627 120.570 -0.099 0.000 2.390 287 I HA 0.184 4.354 4.170 0.000 0.000 0.283 287 I C 0.163 176.285 176.117 0.008 0.000 1.016 287 I CA -0.677 60.637 61.300 0.023 0.000 1.151 287 I CB 1.508 39.571 38.000 0.105 0.000 1.293 287 I HN 0.715 nan 8.210 nan 0.000 0.458 288 T N 2.909 117.423 114.554 -0.067 0.000 2.860 288 T HA 0.589 4.939 4.350 0.000 0.000 0.299 288 T C 0.448 174.944 174.700 -0.339 0.000 1.045 288 T CA -0.756 61.242 62.100 -0.171 0.000 1.071 288 T CB 1.556 70.325 68.868 -0.165 0.000 0.985 288 T HN 0.552 nan 8.240 nan 0.000 0.537 289 A N 2.896 125.265 122.820 -0.752 0.000 2.346 289 A HA 0.591 4.911 4.320 0.000 0.000 0.252 289 A C -2.195 174.881 177.584 -0.846 0.000 1.089 289 A CA -1.628 49.518 52.037 -1.486 0.000 0.797 289 A CB -0.854 16.787 19.000 -2.267 0.000 1.047 289 A HN 0.731 nan 8.150 nan 0.000 0.494 290 P HA 0.184 nan 4.420 nan 0.000 0.269 290 P C 0.688 177.767 177.300 -0.368 0.000 1.215 290 P CA 0.652 63.509 63.100 -0.404 0.000 0.780 290 P CB 0.689 32.224 31.700 -0.275 0.000 0.898 291 A N 2.318 124.994 122.820 -0.240 0.000 1.978 291 A HA -0.183 4.137 4.320 0.000 0.000 0.220 291 A C 2.037 179.507 177.584 -0.191 0.000 1.170 291 A CA 2.164 54.080 52.037 -0.202 0.000 0.636 291 A CB -1.654 17.263 19.000 -0.137 0.000 0.810 291 A HN 0.613 nan 8.150 nan 0.000 0.448 292 S N -1.455 114.151 115.700 -0.157 0.000 2.507 292 S HA -0.056 4.415 4.470 0.000 0.000 0.235 292 S C 1.682 176.182 174.600 -0.167 0.000 0.988 292 S CA 1.390 59.511 58.200 -0.132 0.000 0.944 292 S CB -0.248 62.934 63.200 -0.030 0.000 0.762 292 S HN 0.397 nan 8.310 nan 0.000 0.526 293 M N 0.834 120.278 119.600 -0.261 0.000 2.557 293 M HA 0.373 4.853 4.480 0.000 0.000 0.262 293 M C 1.980 177.994 176.300 -0.476 0.000 1.168 293 M CA 0.677 55.757 55.300 -0.367 0.000 1.194 293 M CB -1.211 31.038 32.600 -0.585 0.000 1.311 293 M HN 0.306 nan 8.290 nan 0.000 0.489 294 L N 1.238 122.165 121.223 -0.493 0.000 2.349 294 L HA -0.138 4.202 4.340 0.000 0.000 0.220 294 L C 2.204 178.986 176.870 -0.146 0.000 1.130 294 L CA 0.642 55.285 54.840 -0.328 0.000 0.791 294 L CB -0.914 40.980 42.059 -0.276 0.000 0.918 294 L HN 0.331 nan 8.230 nan 0.000 0.444 295 I N -2.719 117.766 120.570 -0.140 0.000 3.083 295 I HA 0.144 4.314 4.170 0.000 0.000 0.273 295 I C 0.966 177.052 176.117 -0.050 0.000 1.297 295 I CA 0.553 61.799 61.300 -0.089 0.000 1.452 295 I CB -0.485 37.455 38.000 -0.102 0.000 1.078 295 I HN 0.111 nan 8.210 nan 0.000 0.484 296 G N 0.070 108.860 108.800 -0.017 0.000 2.490 296 G HA2 0.189 4.149 3.960 0.000 0.000 0.308 296 G HA3 0.189 4.149 3.960 0.000 0.000 0.308 296 G C -1.871 173.094 174.900 0.109 0.000 1.286 296 G CA -0.653 44.459 45.100 0.019 0.000 0.825 296 G HN 0.039 nan 8.290 nan 0.000 0.479 297 D N 1.345 121.759 120.400 0.025 0.000 2.443 297 D HA 0.450 5.090 4.640 0.000 0.000 0.239 297 D C 0.417 176.673 176.300 -0.074 0.000 1.136 297 D CA 0.769 54.729 54.000 -0.066 0.000 0.879 297 D CB 0.444 41.164 40.800 -0.134 0.000 1.195 297 D HN 0.563 nan 8.370 nan 0.000 0.443 298 H N -0.801 118.124 119.070 -0.242 0.000 2.918 298 H HA 0.452 5.008 4.556 0.000 0.000 0.303 298 H C -1.366 173.808 175.328 -0.258 0.000 1.380 298 H CA -0.789 55.117 56.048 -0.236 0.000 1.134 298 H CB 0.332 30.100 29.762 0.010 0.000 1.842 298 H HN 0.304 nan 8.280 nan 0.000 0.533 299 Y N -0.177 120.329 120.300 0.343 0.000 2.581 299 Y HA 0.435 4.985 4.550 0.000 0.000 0.345 299 Y C -0.515 175.627 175.900 0.403 0.000 1.036 299 Y CA -1.167 57.132 58.100 0.331 0.000 1.042 299 Y CB 1.951 40.460 38.460 0.082 0.000 1.289 299 Y HN 0.497 nan 8.280 nan 0.000 0.471 300 L N 2.634 124.162 121.223 0.508 0.000 2.272 300 L HA 0.466 4.807 4.340 0.000 0.000 0.289 300 L C 0.289 177.177 176.870 0.029 0.000 1.032 300 L CA -0.365 54.438 54.840 -0.062 0.000 0.810 300 L CB 0.572 42.528 42.059 -0.172 0.000 1.205 300 L HN 0.969 nan 8.230 nan 0.000 0.422 301 C N 1.173 120.363 119.300 -0.183 0.000 3.228 301 C HA 0.513 4.973 4.460 0.000 0.000 0.290 301 C C 0.210 175.042 174.990 -0.263 0.000 1.301 301 C CA -0.389 58.459 59.018 -0.283 0.000 1.703 301 C CB -0.703 26.936 27.740 -0.168 0.000 2.141 301 C HN 0.852 nan 8.230 nan 0.000 0.656 302 D N 0.135 120.405 120.400 -0.216 0.000 2.769 302 D HA 0.436 5.077 4.640 0.000 0.000 0.219 302 D C -1.913 174.132 176.300 -0.425 0.000 1.245 302 D CA 0.102 54.004 54.000 -0.163 0.000 0.801 302 D CB 2.812 43.509 40.800 -0.172 0.000 1.598 302 D HN 0.044 nan 8.370 nan 0.000 0.485 303 V N 2.458 122.067 119.914 -0.508 0.000 2.569 303 V HA 0.540 4.660 4.120 0.000 0.000 0.301 303 V C -0.547 175.199 176.094 -0.580 0.000 1.044 303 V CA -0.368 61.396 62.300 -0.894 0.000 0.874 303 V CB 1.949 32.688 31.823 -1.807 0.000 1.002 303 V HN 0.644 nan 8.190 nan 0.000 0.424 304 T N 3.475 117.759 114.554 -0.450 0.000 3.011 304 T HA 0.360 4.711 4.350 0.000 0.000 0.303 304 T C -0.959 173.612 174.700 -0.216 0.000 0.997 304 T CA -0.496 61.496 62.100 -0.180 0.000 1.007 304 T CB 0.895 69.729 68.868 -0.056 0.000 1.017 304 T HN 0.502 nan 8.240 nan 0.000 0.443 305 W N 2.035 123.281 121.300 -0.089 0.000 2.216 305 W HA 0.503 5.163 4.660 0.000 0.000 0.326 305 W C 1.133 177.513 176.519 -0.231 0.000 1.319 305 W CA -0.348 56.924 57.345 -0.121 0.000 1.213 305 W CB 0.585 30.055 29.460 0.016 0.000 1.171 305 W HN 0.853 nan 8.180 nan 0.000 0.557 306 A N 1.909 124.579 122.820 -0.249 0.000 1.920 306 A HA 0.213 4.533 4.320 0.000 0.000 0.209 306 A C 0.874 178.404 177.584 -0.090 0.000 1.229 306 A CA 1.518 53.184 52.037 -0.617 0.000 0.671 306 A CB -0.356 17.807 19.000 -1.394 0.000 0.886 306 A HN 0.535 nan 8.150 nan 0.000 0.461 307 T N -5.665 108.934 114.554 0.074 0.000 2.647 307 T HA 0.346 4.696 4.350 0.000 0.000 0.295 307 T C 0.152 175.015 174.700 0.271 0.000 1.126 307 T CA -0.392 61.804 62.100 0.159 0.000 1.040 307 T CB 0.693 69.638 68.868 0.129 0.000 1.472 307 T HN -0.050 nan 8.240 nan 0.000 0.500 308 Q N 0.404 120.334 119.800 0.217 0.000 2.226 308 Q HA -0.014 4.327 4.340 0.000 0.000 0.204 308 Q C 0.833 177.072 176.000 0.398 0.000 0.975 308 Q CA 1.576 57.523 55.803 0.240 0.000 0.866 308 Q CB -0.163 28.687 28.738 0.188 0.000 0.915 308 Q HN 0.834 nan 8.270 nan 0.000 0.440 309 E N -0.242 120.176 120.200 0.364 0.000 2.812 309 E HA 0.205 4.555 4.350 0.000 0.000 0.211 309 E C -0.226 176.607 176.600 0.388 0.000 0.986 309 E CA -0.182 56.429 56.400 0.351 0.000 1.119 309 E CB 1.001 30.832 29.700 0.218 0.000 1.046 309 E HN -0.031 nan 8.360 nan 0.000 0.474 310 R N 1.679 122.421 120.500 0.404 0.000 2.538 310 R HA 0.529 4.869 4.340 0.000 0.000 0.292 310 R C -1.718 174.576 176.300 -0.010 0.000 1.008 310 R CA -0.459 55.761 56.100 0.199 0.000 0.896 310 R CB 1.318 31.640 30.300 0.037 0.000 1.187 310 R HN 0.090 nan 8.270 nan 0.000 0.440 311 I N 3.137 123.551 120.570 -0.259 0.000 2.608 311 I HA 0.441 4.611 4.170 0.000 0.000 0.295 311 I C -0.983 174.827 176.117 -0.511 0.000 1.049 311 I CA -0.490 60.395 61.300 -0.692 0.000 1.063 311 I CB 2.236 39.429 38.000 -1.345 0.000 1.248 311 I HN 0.846 nan 8.210 nan 0.000 0.424 312 S N 7.646 123.033 115.700 -0.521 0.000 2.501 312 S HA 0.815 5.285 4.470 0.000 0.000 0.301 312 S C -1.061 173.241 174.600 -0.496 0.000 1.096 312 S CA -0.681 57.295 58.200 -0.372 0.000 1.063 312 S CB 1.651 64.739 63.200 -0.186 0.000 1.042 312 S HN 0.566 nan 8.310 nan 0.000 0.494 313 L N 1.755 122.702 121.223 -0.460 0.000 2.422 313 L HA 0.568 4.908 4.340 0.000 0.000 0.264 313 L C -0.543 176.052 176.870 -0.458 0.000 0.984 313 L CA -0.735 53.721 54.840 -0.640 0.000 0.819 313 L CB 2.297 43.831 42.059 -0.875 0.000 1.330 313 L HN 0.676 nan 8.230 nan 0.000 0.410 314 Q N 1.259 120.752 119.800 -0.512 0.000 2.333 314 Q HA 0.463 4.803 4.340 0.000 0.000 0.267 314 Q C -1.792 173.986 176.000 -0.370 0.000 1.012 314 Q CA -0.593 55.038 55.803 -0.288 0.000 0.824 314 Q CB 2.565 31.186 28.738 -0.194 0.000 1.290 314 Q HN 0.414 nan 8.270 nan 0.000 0.449 315 W N 2.342 123.612 121.300 -0.051 0.000 2.627 315 W HA 0.608 5.269 4.660 0.000 0.000 0.339 315 W C -0.893 175.673 176.519 0.079 0.000 1.058 315 W CA -0.643 56.720 57.345 0.030 0.000 1.223 315 W CB 1.080 30.542 29.460 0.003 0.000 1.389 315 W HN 0.381 nan 8.180 nan 0.000 0.541 316 L N 2.949 124.403 121.223 0.385 0.000 2.385 316 L HA 0.573 4.913 4.340 0.000 0.000 0.273 316 L C -0.047 177.018 176.870 0.324 0.000 0.990 316 L CA -1.102 53.927 54.840 0.316 0.000 0.821 316 L CB 1.232 43.455 42.059 0.274 0.000 1.279 316 L HN 0.407 nan 8.230 nan 0.000 0.412 317 R N 2.426 123.079 120.500 0.254 0.000 2.679 317 R HA 0.223 4.563 4.340 0.000 0.000 0.269 317 R C 1.020 177.374 176.300 0.091 0.000 1.076 317 R CA -0.130 56.060 56.100 0.150 0.000 1.160 317 R CB 0.547 30.917 30.300 0.117 0.000 1.054 317 R HN 0.646 nan 8.270 nan 0.000 0.507 318 R N 1.194 121.660 120.500 -0.056 0.000 2.127 318 R HA -0.066 4.275 4.340 0.000 0.000 0.238 318 R C 0.382 176.731 176.300 0.082 0.000 1.134 318 R CA 1.129 57.188 56.100 -0.069 0.000 0.975 318 R CB 0.184 30.405 30.300 -0.131 0.000 0.865 318 R HN 0.381 nan 8.270 nan 0.000 0.447 319 I N 2.883 123.488 120.570 0.057 0.000 2.278 319 I HA 0.007 4.177 4.170 0.000 0.000 0.296 319 I C 0.230 176.406 176.117 0.099 0.000 1.121 319 I CA 0.388 61.725 61.300 0.062 0.000 1.267 319 I CB 0.819 38.841 38.000 0.037 0.000 1.447 319 I HN 0.280 nan 8.210 nan 0.000 0.509 320 Q N 4.187 124.047 119.800 0.100 0.000 2.362 320 Q HA -0.093 4.247 4.340 0.000 0.000 0.210 320 Q C 0.618 176.698 176.000 0.132 0.000 0.924 320 Q CA 0.199 56.073 55.803 0.119 0.000 0.982 320 Q CB -0.341 28.428 28.738 0.052 0.000 1.028 320 Q HN 0.616 nan 8.270 nan 0.000 0.482 321 N N -0.837 117.944 118.700 0.136 0.000 2.235 321 N HA -0.026 4.715 4.740 0.000 0.000 0.231 321 N C -1.178 174.439 175.510 0.178 0.000 1.177 321 N CA -0.245 52.876 53.050 0.118 0.000 0.874 321 N CB 0.321 38.853 38.487 0.075 0.000 1.097 321 N HN 0.165 nan 8.380 nan 0.000 0.518 322 Y N 1.111 121.440 120.300 0.049 0.000 2.323 322 Y HA 0.486 5.036 4.550 0.000 0.000 0.322 322 Y C -1.209 174.731 175.900 0.068 0.000 1.133 322 Y CA -0.935 57.193 58.100 0.048 0.000 1.093 322 Y CB 1.241 39.720 38.460 0.033 0.000 1.203 322 Y HN 0.172 nan 8.280 nan 0.000 0.427 323 S N 3.986 119.625 115.700 -0.101 0.000 2.599 323 S HA 0.957 5.428 4.470 0.000 0.000 0.287 323 S C -1.801 172.742 174.600 -0.095 0.000 1.105 323 S CA -0.761 57.447 58.200 0.012 0.000 0.899 323 S CB 2.151 65.367 63.200 0.026 0.000 1.100 323 S HN 0.447 nan 8.310 nan 0.000 0.482 324 V N 2.307 122.254 119.914 0.054 0.000 2.760 324 V HA 0.533 4.653 4.120 0.000 0.000 0.309 324 V C -0.675 175.477 176.094 0.096 0.000 1.077 324 V CA -0.657 61.675 62.300 0.052 0.000 0.910 324 V CB 1.965 33.849 31.823 0.102 0.000 1.008 324 V HN 1.036 nan 8.190 nan 0.000 0.424 325 M N 3.450 123.085 119.600 0.058 0.000 2.205 325 M HA 0.550 5.030 4.480 0.000 0.000 0.344 325 M C -1.424 174.912 176.300 0.060 0.000 1.085 325 M CA -0.302 55.012 55.300 0.024 0.000 1.001 325 M CB 1.239 33.814 32.600 -0.043 0.000 1.626 325 M HN 0.638 nan 8.290 nan 0.000 0.442 326 D N 5.072 125.496 120.400 0.040 0.000 2.192 326 D HA 0.523 5.163 4.640 0.000 0.000 0.246 326 D C -0.979 175.308 176.300 -0.021 0.000 1.042 326 D CA -0.040 53.980 54.000 0.033 0.000 0.847 326 D CB 1.728 42.575 40.800 0.077 0.000 1.186 326 D HN 0.592 nan 8.370 nan 0.000 0.461 327 I N 2.796 123.374 120.570 0.013 0.000 2.420 327 I HA 0.270 4.441 4.170 0.000 0.000 0.282 327 I C -0.599 175.526 176.117 0.014 0.000 1.019 327 I CA -0.625 60.678 61.300 0.004 0.000 1.130 327 I CB 1.141 39.201 38.000 0.100 0.000 1.262 327 I HN 0.176 nan 8.210 nan 0.000 0.454 328 c N 3.897 122.493 118.600 -0.005 0.000 2.329 328 c HA 0.536 5.106 4.570 0.000 0.000 0.329 328 c C -0.181 174.039 174.090 0.216 0.000 1.275 328 c CA -0.724 55.665 56.329 0.100 0.000 1.726 328 c CB 0.895 43.475 42.510 0.116 0.000 2.291 328 c HN 0.569 nan 8.230 nan 0.000 0.514 329 D N 0.386 120.896 120.400 0.183 0.000 2.248 329 D HA 0.299 4.939 4.640 0.000 0.000 0.246 329 D C -0.619 175.620 176.300 -0.102 0.000 1.027 329 D CA -0.242 53.823 54.000 0.108 0.000 0.853 329 D CB 0.899 41.715 40.800 0.028 0.000 1.243 329 D HN 0.581 nan 8.370 nan 0.000 0.462 330 Y N 1.536 121.456 120.300 -0.633 0.000 2.442 330 Y HA 0.184 4.734 4.550 0.000 0.000 0.330 330 Y C -0.091 175.493 175.900 -0.527 0.000 1.129 330 Y CA -0.178 57.199 58.100 -1.205 0.000 1.365 330 Y CB 0.679 38.252 38.460 -1.478 0.000 1.233 330 Y HN 0.150 nan 8.280 nan 0.000 0.529 331 D N 5.613 125.371 120.400 -1.071 0.000 2.467 331 D HA 0.062 4.702 4.640 0.000 0.000 0.220 331 D C 0.836 176.547 176.300 -0.982 0.000 1.103 331 D CA -0.072 53.494 54.000 -0.724 0.000 0.886 331 D CB 0.604 41.147 40.800 -0.428 0.000 1.025 331 D HN 0.886 nan 8.370 nan 0.000 0.514 332 E N 1.794 121.574 120.200 -0.701 0.000 2.209 332 E HA -0.176 4.174 4.350 0.000 0.000 0.196 332 E C 1.056 177.521 176.600 -0.225 0.000 0.993 332 E CA 0.912 57.083 56.400 -0.382 0.000 0.819 332 E CB 0.436 30.106 29.700 -0.051 0.000 0.745 332 E HN 0.363 nan 8.360 nan 0.000 0.477 333 S N 0.037 115.610 115.700 -0.210 0.000 2.338 333 S HA -0.145 4.325 4.470 0.000 0.000 0.218 333 S C 2.076 176.605 174.600 -0.118 0.000 1.032 333 S CA 1.434 59.560 58.200 -0.124 0.000 0.999 333 S CB -0.147 62.991 63.200 -0.103 0.000 0.905 333 S HN 0.453 nan 8.310 nan 0.000 0.439 334 S N 0.162 115.762 115.700 -0.166 0.000 2.524 334 S HA 0.365 4.835 4.470 0.000 0.000 0.216 334 S C 1.494 176.025 174.600 -0.115 0.000 0.987 334 S CA 0.604 58.734 58.200 -0.116 0.000 0.909 334 S CB -0.023 63.114 63.200 -0.105 0.000 0.781 334 S HN 0.825 nan 8.310 nan 0.000 0.521 335 G N 1.554 110.203 108.800 -0.252 0.000 2.179 335 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 335 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 335 G C 0.078 174.959 174.900 -0.032 0.000 1.010 335 G CA 0.355 45.378 45.100 -0.128 0.000 0.736 335 G HN 0.622 nan 8.290 nan 0.000 0.513 336 R N -1.971 118.389 120.500 -0.234 0.000 2.875 336 R HA 0.672 5.012 4.340 0.000 0.000 0.251 336 R C -0.898 175.261 176.300 -0.235 0.000 1.123 336 R CA -0.931 55.138 56.100 -0.051 0.000 1.064 336 R CB 0.953 31.259 30.300 0.010 0.000 1.205 336 R HN 0.146 nan 8.270 nan 0.000 0.503 337 W N 0.639 121.968 121.300 0.048 0.000 2.417 337 W HA 0.386 5.047 4.660 0.000 0.000 0.315 337 W C -0.581 175.931 176.519 -0.012 0.000 1.045 337 W CA -0.368 56.994 57.345 0.029 0.000 1.221 337 W CB 1.081 30.564 29.460 0.037 0.000 1.309 337 W HN 0.401 nan 8.180 nan 0.000 0.453 338 N N 2.054 120.829 118.700 0.125 0.000 2.321 338 N HA 0.567 5.307 4.740 0.000 0.000 0.299 338 N C -1.505 174.049 175.510 0.073 0.000 1.048 338 N CA -0.602 52.488 53.050 0.067 0.000 0.836 338 N CB 1.261 39.747 38.487 -0.002 0.000 1.269 338 N HN 0.189 nan 8.380 nan 0.000 0.486 339 c N 2.578 121.206 118.600 0.047 0.000 2.301 339 c HA 0.381 4.951 4.570 0.000 0.000 0.313 339 c C 0.318 174.412 174.090 0.006 0.000 1.121 339 c CA -1.109 55.238 56.329 0.031 0.000 1.507 339 c CB -1.317 41.205 42.510 0.021 0.000 1.975 339 c HN 0.620 nan 8.230 nan 0.000 0.425 340 L N 2.784 124.011 121.223 0.007 0.000 2.540 340 L HA 0.018 4.358 4.340 0.000 0.000 0.276 340 L C 1.828 178.685 176.870 -0.021 0.000 1.212 340 L CA 0.073 54.909 54.840 -0.007 0.000 0.893 340 L CB 0.678 42.736 42.059 -0.002 0.000 1.138 340 L HN 0.751 nan 8.230 nan 0.000 0.491 341 V N 1.144 121.040 119.914 -0.031 0.000 2.594 341 V HA -0.238 3.883 4.120 0.000 0.000 0.253 341 V C 2.126 178.183 176.094 -0.061 0.000 1.069 341 V CA 1.719 63.992 62.300 -0.045 0.000 1.082 341 V CB -0.878 30.919 31.823 -0.043 0.000 0.680 341 V HN 0.926 nan 8.190 nan 0.000 0.469 342 A N 0.506 123.296 122.820 -0.051 0.000 2.067 342 A HA 0.001 4.321 4.320 0.000 0.000 0.219 342 A C 2.228 179.756 177.584 -0.093 0.000 1.158 342 A CA 1.294 53.293 52.037 -0.062 0.000 0.661 342 A CB -0.480 18.498 19.000 -0.036 0.000 0.801 342 A HN 0.636 nan 8.150 nan 0.000 0.452 343 R N -0.537 119.923 120.500 -0.067 0.000 2.480 343 R HA 0.173 4.513 4.340 0.000 0.000 0.277 343 R C 0.131 176.358 176.300 -0.121 0.000 1.008 343 R CA -0.137 55.934 56.100 -0.048 0.000 1.090 343 R CB 0.136 30.470 30.300 0.056 0.000 1.234 343 R HN 0.545 nan 8.270 nan 0.000 0.549 344 Q N 0.829 120.505 119.800 -0.206 0.000 2.256 344 Q HA 0.150 4.490 4.340 0.000 0.000 0.254 344 Q C -0.908 174.890 176.000 -0.336 0.000 0.916 344 Q CA -0.301 55.405 55.803 -0.162 0.000 0.932 344 Q CB 0.933 29.620 28.738 -0.085 0.000 1.207 344 Q HN 0.263 nan 8.270 nan 0.000 0.426 345 H N 4.131 123.220 119.070 0.031 0.000 2.589 345 H HA 0.376 4.932 4.556 0.000 0.000 0.335 345 H C -0.593 174.727 175.328 -0.014 0.000 1.019 345 H CA -0.456 55.617 56.048 0.040 0.000 1.213 345 H CB 1.028 30.830 29.762 0.068 0.000 1.472 345 H HN 0.572 nan 8.280 nan 0.000 0.508 346 I N 2.162 122.767 120.570 0.057 0.000 2.385 346 I HA 0.155 4.326 4.170 0.000 0.000 0.294 346 I C 0.353 176.421 176.117 -0.081 0.000 0.988 346 I CA -0.144 61.099 61.300 -0.094 0.000 1.265 346 I CB 1.436 39.341 38.000 -0.159 0.000 1.388 346 I HN 0.480 nan 8.210 nan 0.000 0.480 347 E N 8.080 128.173 120.200 -0.178 0.000 2.255 347 E HA 0.507 4.857 4.350 0.000 0.000 0.256 347 E C -1.188 175.305 176.600 -0.179 0.000 0.887 347 E CA -0.643 55.696 56.400 -0.101 0.000 0.782 347 E CB 1.315 30.997 29.700 -0.030 0.000 1.214 347 E HN 0.599 nan 8.360 nan 0.000 0.417 348 M N 1.179 120.705 119.600 -0.124 0.000 2.755 348 M HA 0.688 5.168 4.480 0.000 0.000 0.298 348 M C -0.864 175.428 176.300 -0.013 0.000 1.251 348 M CA -0.992 54.263 55.300 -0.076 0.000 0.817 348 M CB 2.256 34.829 32.600 -0.046 0.000 1.760 348 M HN 0.230 nan 8.290 nan 0.000 0.473 349 S N -0.650 115.054 115.700 0.006 0.000 2.548 349 S HA 0.521 4.992 4.470 0.000 0.000 0.276 349 S C 0.130 174.723 174.600 -0.011 0.000 1.129 349 S CA 0.003 58.195 58.200 -0.013 0.000 0.931 349 S CB 1.779 64.946 63.200 -0.055 0.000 1.068 349 S HN 0.934 nan 8.310 nan 0.000 0.480 350 T N -0.078 114.470 114.554 -0.010 0.000 3.044 350 T HA 0.079 4.429 4.350 0.000 0.000 0.250 350 T C 1.450 176.133 174.700 -0.028 0.000 1.081 350 T CA 0.928 63.023 62.100 -0.008 0.000 1.040 350 T CB -0.354 68.515 68.868 0.002 0.000 0.962 350 T HN 0.678 nan 8.240 nan 0.000 0.506 351 T N -2.124 112.407 114.554 -0.039 0.000 3.014 351 T HA 0.609 4.959 4.350 0.000 0.000 0.250 351 T C 1.151 175.693 174.700 -0.263 0.000 1.060 351 T CA 0.372 62.451 62.100 -0.035 0.000 1.040 351 T CB 0.407 69.339 68.868 0.107 0.000 0.971 351 T HN 0.616 nan 8.240 nan 0.000 0.497 352 G N 0.378 108.847 108.800 -0.552 0.000 2.696 352 G HA2 0.475 4.435 3.960 0.000 0.000 0.151 352 G HA3 0.475 4.435 3.960 0.000 0.000 0.151 352 G C -1.596 173.023 174.900 -0.468 0.000 1.197 352 G CA -0.554 44.010 45.100 -0.892 0.000 1.053 352 G HN 0.483 nan 8.290 nan 0.000 0.546 353 W N -0.122 120.912 121.300 -0.444 0.000 2.225 353 W HA 0.757 5.417 4.660 0.000 0.000 0.377 353 W C -0.400 176.068 176.519 -0.085 0.000 1.418 353 W CA -1.257 55.960 57.345 -0.212 0.000 1.562 353 W CB 0.576 29.880 29.460 -0.259 0.000 1.297 353 W HN 0.265 nan 8.180 nan 0.000 0.686 354 V N 2.884 122.877 119.914 0.131 0.000 2.407 354 V HA 0.692 4.812 4.120 0.000 0.000 0.278 354 V C 0.752 176.929 176.094 0.139 0.000 1.037 354 V CA 0.334 62.671 62.300 0.061 0.000 0.900 354 V CB 0.050 31.910 31.823 0.061 0.000 0.983 354 V HN 1.278 nan 8.190 nan 0.000 0.459 355 G N 5.219 114.056 108.800 0.063 0.000 2.795 355 G HA2 -0.189 3.771 3.960 0.000 0.000 0.664 355 G HA3 -0.189 3.771 3.960 0.000 0.000 0.664 355 G C 0.356 175.369 174.900 0.187 0.000 1.381 355 G CA 0.191 45.359 45.100 0.114 0.000 0.853 355 G HN 0.649 nan 8.290 nan 0.000 0.545 356 R N -0.692 119.916 120.500 0.180 0.000 2.061 356 R HA 0.085 4.425 4.340 0.000 0.000 0.230 356 R C 1.934 178.266 176.300 0.054 0.000 1.140 356 R CA 2.205 58.387 56.100 0.137 0.000 0.940 356 R CB -0.126 30.274 30.300 0.166 0.000 0.839 356 R HN 0.472 nan 8.270 nan 0.000 0.429 357 F N -0.701 119.395 119.950 0.243 0.000 2.767 357 F HA 0.283 4.810 4.527 0.000 0.000 0.323 357 F C 0.241 176.066 175.800 0.042 0.000 1.091 357 F CA -0.466 57.612 58.000 0.131 0.000 1.192 357 F CB 0.764 39.841 39.000 0.127 0.000 1.056 357 F HN -0.045 nan 8.300 nan 0.000 0.571 358 R N -1.714 118.923 120.500 0.229 0.000 3.033 358 R HA 0.294 4.634 4.340 0.000 0.000 0.284 358 R C -3.413 172.951 176.300 0.107 0.000 0.997 358 R CA -1.664 54.502 56.100 0.110 0.000 0.851 358 R CB -0.215 30.096 30.300 0.018 0.000 1.297 358 R HN -0.356 nan 8.270 nan 0.000 0.518 359 P HA -0.027 nan 4.420 nan 0.000 0.264 359 P C -0.263 177.063 177.300 0.043 0.000 1.183 359 P CA 0.243 63.367 63.100 0.041 0.000 0.763 359 P CB 0.692 32.393 31.700 0.001 0.000 0.807 360 S N 1.993 117.731 115.700 0.062 0.000 2.600 360 S HA 0.157 4.627 4.470 0.000 0.000 0.265 360 S C 0.195 174.823 174.600 0.048 0.000 1.325 360 S CA -0.726 57.527 58.200 0.087 0.000 1.002 360 S CB 0.434 63.704 63.200 0.118 0.000 0.921 360 S HN 0.523 nan 8.310 nan 0.000 0.554 361 E N 1.404 121.655 120.200 0.084 0.000 2.301 361 E HA 0.371 4.721 4.350 0.000 0.000 0.275 361 E C -2.772 173.850 176.600 0.037 0.000 1.030 361 E CA -2.270 54.142 56.400 0.020 0.000 0.852 361 E CB 0.471 30.187 29.700 0.026 0.000 1.060 361 E HN 0.453 nan 8.360 nan 0.000 0.401 362 P HA 0.229 nan 4.420 nan 0.000 0.281 362 P C -0.757 176.459 177.300 -0.139 0.000 1.249 362 P CA -0.340 62.654 63.100 -0.176 0.000 0.810 362 P CB 0.814 32.056 31.700 -0.763 0.000 1.008 363 H N 2.104 121.183 119.070 0.014 0.000 2.718 363 H HA 0.283 4.839 4.556 0.000 0.000 0.295 363 H C -0.235 175.203 175.328 0.183 0.000 1.051 363 H CA -0.364 55.776 56.048 0.153 0.000 1.260 363 H CB 0.274 30.156 29.762 0.199 0.000 1.403 363 H HN 0.313 nan 8.280 nan 0.000 0.488 364 F N 1.820 121.933 119.950 0.273 0.000 2.418 364 F HA 0.048 4.575 4.527 0.000 0.000 0.341 364 F C 1.671 177.652 175.800 0.302 0.000 1.120 364 F CA -0.345 57.831 58.000 0.294 0.000 1.232 364 F CB 0.935 40.040 39.000 0.175 0.000 1.175 364 F HN 0.378 nan 8.300 nan 0.000 0.569 365 T N 0.032 114.884 114.554 0.496 0.000 2.754 365 T HA 0.267 4.617 4.350 0.000 0.000 0.286 365 T C 1.431 176.318 174.700 0.310 0.000 0.997 365 T CA -0.750 61.577 62.100 0.378 0.000 0.982 365 T CB 0.543 69.621 68.868 0.350 0.000 1.027 365 T HN 0.538 nan 8.240 nan 0.000 0.529 366 L N 0.862 122.224 121.223 0.232 0.000 1.978 366 L HA -0.159 4.181 4.340 0.000 0.000 0.218 366 L C 2.637 179.615 176.870 0.180 0.000 1.075 366 L CA 2.270 57.221 54.840 0.184 0.000 0.767 366 L CB -0.986 41.159 42.059 0.143 0.000 0.890 366 L HN 0.857 nan 8.230 nan 0.000 0.434 367 D N -0.424 120.082 120.400 0.177 0.000 2.350 367 D HA -0.050 4.590 4.640 0.000 0.000 0.216 367 D C 1.514 177.923 176.300 0.182 0.000 0.968 367 D CA 0.855 54.951 54.000 0.159 0.000 0.894 367 D CB -0.393 40.491 40.800 0.141 0.000 0.909 367 D HN 0.404 nan 8.370 nan 0.000 0.520 368 G N 0.284 109.235 108.800 0.251 0.000 2.153 368 G HA2 -0.355 3.605 3.960 0.000 0.000 0.252 368 G HA3 -0.355 3.605 3.960 0.000 0.000 0.252 368 G C 0.898 176.006 174.900 0.347 0.000 0.994 368 G CA 0.407 45.690 45.100 0.305 0.000 0.698 368 G HN 0.367 nan 8.290 nan 0.000 0.521 369 N N 0.059 118.933 118.700 0.290 0.000 2.422 369 N HA 0.136 4.876 4.740 0.000 0.000 0.181 369 N C 1.098 176.753 175.510 0.242 0.000 1.080 369 N CA 1.224 54.415 53.050 0.236 0.000 0.893 369 N CB 0.331 38.913 38.487 0.158 0.000 0.973 369 N HN 0.912 nan 8.380 nan 0.000 0.456 370 S N -0.503 115.374 115.700 0.295 0.000 2.625 370 S HA 0.765 5.235 4.470 0.000 0.000 0.271 370 S C -1.001 173.717 174.600 0.197 0.000 1.161 370 S CA -0.994 57.275 58.200 0.116 0.000 0.820 370 S CB 1.848 65.014 63.200 -0.058 0.000 1.137 370 S HN 0.127 nan 8.310 nan 0.000 0.470 371 F N -2.111 117.697 119.950 -0.235 0.000 2.693 371 F HA 0.806 5.333 4.527 0.000 0.000 0.309 371 F C -2.199 173.438 175.800 -0.272 0.000 1.129 371 F CA -1.549 56.246 58.000 -0.342 0.000 0.948 371 F CB 0.522 38.922 39.000 -1.001 0.000 1.315 371 F HN 0.601 nan 8.300 nan 0.000 0.447 372 Y N 1.188 121.630 120.300 0.237 0.000 2.387 372 Y HA 0.701 5.252 4.550 0.000 0.000 0.336 372 Y C -0.142 175.904 175.900 0.242 0.000 1.067 372 Y CA -0.845 57.373 58.100 0.197 0.000 1.114 372 Y CB 2.052 40.569 38.460 0.095 0.000 1.208 372 Y HN 0.712 nan 8.280 nan 0.000 0.458 373 K N 2.949 123.558 120.400 0.350 0.000 2.543 373 K HA 0.516 4.836 4.320 0.000 0.000 0.255 373 K C -1.708 175.028 176.600 0.228 0.000 0.934 373 K CA -0.566 55.884 56.287 0.271 0.000 0.810 373 K CB 1.617 34.219 32.500 0.171 0.000 1.315 373 K HN 0.714 nan 8.250 nan 0.000 0.433 374 I N 6.418 127.090 120.570 0.170 0.000 2.396 374 I HA 0.278 4.448 4.170 0.000 0.000 0.289 374 I C 0.194 176.401 176.117 0.150 0.000 1.056 374 I CA -0.362 61.020 61.300 0.137 0.000 1.365 374 I CB 0.343 38.402 38.000 0.097 0.000 1.407 374 I HN 0.482 nan 8.210 nan 0.000 0.509 375 I N 1.971 122.657 120.570 0.193 0.000 2.994 375 I HA 0.465 4.635 4.170 0.000 0.000 0.306 375 I C -0.332 175.899 176.117 0.192 0.000 1.195 375 I CA -0.799 60.612 61.300 0.184 0.000 1.001 375 I CB 2.160 40.291 38.000 0.218 0.000 1.244 375 I HN 0.347 nan 8.210 nan 0.000 0.437 376 S N 2.836 118.588 115.700 0.086 0.000 2.531 376 S HA 0.238 4.708 4.470 0.000 0.000 0.279 376 S C -0.009 174.621 174.600 0.049 0.000 1.305 376 S CA -0.443 57.752 58.200 -0.007 0.000 1.058 376 S CB -0.230 62.909 63.200 -0.101 0.000 0.899 376 S HN 0.824 nan 8.310 nan 0.000 0.493 377 N N 3.985 122.613 118.700 -0.121 0.000 2.431 377 N HA 0.234 4.974 4.740 0.000 0.000 0.289 377 N C 0.705 176.119 175.510 -0.161 0.000 1.277 377 N CA -0.462 52.400 53.050 -0.314 0.000 0.972 377 N CB -0.059 37.844 38.487 -0.973 0.000 1.143 377 N HN 0.479 nan 8.380 nan 0.000 0.578 378 E N -0.552 119.552 120.200 -0.160 0.000 2.265 378 E HA -0.148 4.203 4.350 0.000 0.000 0.196 378 E C 0.606 177.151 176.600 -0.092 0.000 0.996 378 E CA 1.103 57.450 56.400 -0.089 0.000 0.832 378 E CB -0.157 29.501 29.700 -0.069 0.000 0.756 378 E HN 0.621 nan 8.360 nan 0.000 0.491 379 E N -0.778 119.362 120.200 -0.101 0.000 2.478 379 E HA 0.119 4.470 4.350 0.000 0.000 0.194 379 E C 0.990 177.540 176.600 -0.082 0.000 1.045 379 E CA 0.595 56.982 56.400 -0.022 0.000 0.868 379 E CB 0.376 30.123 29.700 0.079 0.000 0.885 379 E HN 0.326 nan 8.360 nan 0.000 0.505 380 G N -0.157 108.543 108.800 -0.166 0.000 2.141 380 G HA2 -0.297 3.663 3.960 0.000 0.000 0.242 380 G HA3 -0.297 3.663 3.960 0.000 0.000 0.242 380 G C -0.409 174.206 174.900 -0.473 0.000 0.982 380 G CA -0.072 44.832 45.100 -0.327 0.000 0.662 380 G HN 0.237 nan 8.290 nan 0.000 0.527 381 Y N 0.148 120.314 120.300 -0.224 0.000 2.360 381 Y HA 0.634 5.184 4.550 0.000 0.000 0.337 381 Y C 1.147 176.880 175.900 -0.278 0.000 1.039 381 Y CA -0.913 57.040 58.100 -0.246 0.000 1.109 381 Y CB 1.087 39.419 38.460 -0.213 0.000 1.201 381 Y HN 0.079 nan 8.280 nan 0.000 0.458 382 R N 3.789 124.158 120.500 -0.218 0.000 2.288 382 R HA 0.243 4.583 4.340 0.000 0.000 0.330 382 R C -0.750 175.252 176.300 -0.496 0.000 1.069 382 R CA -0.003 55.962 56.100 -0.224 0.000 0.941 382 R CB 0.027 30.252 30.300 -0.124 0.000 0.998 382 R HN 0.648 nan 8.270 nan 0.000 0.452 383 H N 1.751 120.770 119.070 -0.085 0.000 2.907 383 H HA 0.344 4.901 4.556 0.000 0.000 0.361 383 H C -0.100 175.275 175.328 0.078 0.000 1.194 383 H CA -0.981 54.996 56.048 -0.118 0.000 1.152 383 H CB 1.681 31.265 29.762 -0.297 0.000 1.867 383 H HN 0.310 nan 8.280 nan 0.000 0.561 384 I N 1.364 122.006 120.570 0.121 0.000 2.396 384 I HA 0.040 4.210 4.170 0.000 0.000 0.289 384 I C 0.336 176.510 176.117 0.094 0.000 1.056 384 I CA 0.096 61.443 61.300 0.077 0.000 1.365 384 I CB 0.339 38.292 38.000 -0.079 0.000 1.407 384 I HN 0.148 nan 8.210 nan 0.000 0.509 385 c N 7.034 125.638 118.600 0.006 0.000 2.376 385 c HA 0.359 4.929 4.570 0.000 0.000 0.335 385 c C -0.283 173.691 174.090 -0.192 0.000 1.229 385 c CA -0.605 55.508 56.329 -0.359 0.000 1.867 385 c CB 0.754 42.759 42.510 -0.842 0.000 2.319 385 c HN 0.717 nan 8.230 nan 0.000 0.515 386 Y N 4.789 124.784 120.300 -0.508 0.000 2.367 386 Y HA 0.563 5.113 4.550 0.000 0.000 0.342 386 Y C -0.817 174.647 175.900 -0.727 0.000 0.979 386 Y CA -0.632 57.115 58.100 -0.589 0.000 1.161 386 Y CB 0.318 38.526 38.460 -0.420 0.000 1.155 386 Y HN 0.674 nan 8.280 nan 0.000 0.503 387 F N 3.957 123.228 119.950 -1.132 0.000 2.458 387 F HA 0.394 4.922 4.527 0.000 0.000 0.330 387 F C -0.302 174.775 175.800 -1.204 0.000 1.082 387 F CA -0.916 56.315 58.000 -1.281 0.000 0.995 387 F CB 1.448 39.262 39.000 -1.978 0.000 1.170 387 F HN 0.345 nan 8.300 nan 0.000 0.478 388 Q N 3.459 122.927 119.800 -0.553 0.000 2.322 388 Q HA 0.293 4.633 4.340 0.000 0.000 0.265 388 Q C 1.117 177.111 176.000 -0.009 0.000 0.985 388 Q CA -0.383 55.233 55.803 -0.311 0.000 0.849 388 Q CB 2.071 30.660 28.738 -0.248 0.000 1.274 388 Q HN 0.890 nan 8.270 nan 0.000 0.449 389 I N -1.698 118.963 120.570 0.152 0.000 2.399 389 I HA -0.210 3.960 4.170 0.000 0.000 0.254 389 I C 0.320 176.610 176.117 0.289 0.000 1.146 389 I CA 1.510 63.038 61.300 0.379 0.000 1.412 389 I CB 0.135 38.352 38.000 0.361 0.000 1.076 389 I HN 0.248 nan 8.210 nan 0.000 0.432 390 D N 1.721 122.205 120.400 0.139 0.000 2.491 390 D HA 0.212 4.852 4.640 0.000 0.000 0.228 390 D C -0.126 176.192 176.300 0.029 0.000 1.183 390 D CA 0.256 54.295 54.000 0.066 0.000 0.827 390 D CB 0.457 41.280 40.800 0.040 0.000 0.989 390 D HN 0.370 nan 8.370 nan 0.000 0.494 391 K N 0.131 120.569 120.400 0.064 0.000 2.464 391 K HA 0.311 4.631 4.320 0.000 0.000 0.253 391 K C 0.783 177.437 176.600 0.091 0.000 0.933 391 K CA -0.573 55.725 56.287 0.018 0.000 0.801 391 K CB 2.651 35.117 32.500 -0.056 0.000 1.271 391 K HN -0.231 nan 8.250 nan 0.000 0.430 392 K N 0.314 120.721 120.400 0.011 0.000 2.186 392 K HA 0.045 4.365 4.320 0.000 0.000 0.202 392 K C -0.262 176.342 176.600 0.007 0.000 1.052 392 K CA 0.724 57.031 56.287 0.033 0.000 0.965 392 K CB 0.340 32.827 32.500 -0.022 0.000 0.746 392 K HN 0.465 nan 8.250 nan 0.000 0.457 393 D N 1.377 121.721 120.400 -0.093 0.000 2.249 393 D HA 0.081 4.721 4.640 0.000 0.000 0.246 393 D C 0.024 176.094 176.300 -0.383 0.000 1.114 393 D CA -0.235 53.647 54.000 -0.198 0.000 0.854 393 D CB 1.191 41.899 40.800 -0.153 0.000 1.132 393 D HN 0.195 nan 8.370 nan 0.000 0.461 394 c N 0.940 119.150 118.600 -0.651 0.000 2.351 394 c HA 0.762 5.332 4.570 0.000 0.000 0.359 394 c C 0.363 174.018 174.090 -0.726 0.000 1.193 394 c CA -0.553 55.161 56.329 -1.025 0.000 2.270 394 c CB 0.906 42.139 42.510 -2.128 0.000 2.369 394 c HN 0.470 nan 8.230 nan 0.000 0.553 395 T N 2.468 116.663 114.554 -0.597 0.000 2.770 395 T HA 0.453 4.804 4.350 0.000 0.000 0.283 395 T C -0.604 173.892 174.700 -0.341 0.000 0.988 395 T CA 0.122 62.022 62.100 -0.333 0.000 0.957 395 T CB 0.263 69.085 68.868 -0.076 0.000 0.930 395 T HN 0.494 nan 8.240 nan 0.000 0.443 396 F N 3.460 123.301 119.950 -0.182 0.000 2.543 396 F HA 0.213 4.740 4.527 0.000 0.000 0.375 396 F C 1.666 177.308 175.800 -0.263 0.000 1.075 396 F CA -0.824 57.056 58.000 -0.201 0.000 1.225 396 F CB 0.302 39.183 39.000 -0.197 0.000 1.099 396 F HN 0.577 nan 8.300 nan 0.000 0.561 397 I N -0.638 119.810 120.570 -0.205 0.000 3.968 397 I HA 0.217 4.387 4.170 0.000 0.000 0.328 397 I C 0.244 176.170 176.117 -0.319 0.000 1.290 397 I CA 0.109 61.050 61.300 -0.598 0.000 1.163 397 I CB -0.012 37.347 38.000 -1.068 0.000 1.024 397 I HN 0.488 nan 8.210 nan 0.000 0.413 398 T N 0.217 114.657 114.554 -0.190 0.000 2.906 398 T HA 0.724 5.074 4.350 0.000 0.000 0.295 398 T C -0.693 173.665 174.700 -0.570 0.000 1.075 398 T CA -0.703 61.284 62.100 -0.188 0.000 1.005 398 T CB 2.670 71.502 68.868 -0.060 0.000 1.136 398 T HN 0.491 nan 8.240 nan 0.000 0.498 399 K N -0.296 119.600 120.400 -0.840 0.000 2.607 399 K HA 0.771 5.091 4.320 0.000 0.000 0.287 399 K C -0.487 175.454 176.600 -1.098 0.000 0.996 399 K CA -0.905 54.556 56.287 -1.377 0.000 0.876 399 K CB 1.314 33.404 32.500 -0.683 0.000 1.496 399 K HN 1.607 nan 8.250 nan 0.000 0.415 400 G N -0.040 108.131 108.800 -1.047 0.000 2.347 400 G HA2 0.075 4.035 3.960 0.000 0.000 0.477 400 G HA3 0.075 4.035 3.960 0.000 0.000 0.477 400 G C -0.656 173.680 174.900 -0.941 0.000 1.349 400 G CA -0.392 44.273 45.100 -0.726 0.000 1.000 400 G HN 1.042 nan 8.290 nan 0.000 0.605 401 T N -0.403 113.758 114.554 -0.655 0.000 4.309 401 T HA 0.539 4.889 4.350 0.000 0.000 0.242 401 T C 0.258 174.745 174.700 -0.355 0.000 1.142 401 T CA 0.641 62.182 62.100 -0.931 0.000 1.042 401 T CB -0.997 67.599 68.868 -0.453 0.000 1.366 401 T HN 1.516 nan 8.240 nan 0.000 0.942 402 W N -0.422 120.677 121.300 -0.334 0.000 2.937 402 W HA 0.634 5.294 4.660 0.000 0.000 0.360 402 W C -1.490 174.997 176.519 -0.053 0.000 1.215 402 W CA -0.982 56.321 57.345 -0.071 0.000 1.183 402 W CB 0.643 30.064 29.460 -0.066 0.000 1.458 402 W HN 0.175 nan 8.180 nan 0.000 0.574 403 E N 0.722 121.089 120.200 0.277 0.000 2.343 403 E HA 0.460 4.810 4.350 0.000 0.000 0.270 403 E C -1.215 175.487 176.600 0.170 0.000 0.895 403 E CA -1.191 55.188 56.400 -0.035 0.000 0.767 403 E CB 3.382 33.101 29.700 0.031 0.000 1.248 403 E HN 0.156 nan 8.360 nan 0.000 0.440 404 V N 3.760 123.647 119.914 -0.044 0.000 2.488 404 V HA 0.012 4.133 4.120 0.000 0.000 0.277 404 V C 1.196 177.361 176.094 0.119 0.000 1.046 404 V CA -0.036 62.325 62.300 0.101 0.000 0.986 404 V CB 0.603 32.373 31.823 -0.089 0.000 0.989 404 V HN 0.685 nan 8.190 nan 0.000 0.475 405 I N 3.380 124.047 120.570 0.162 0.000 2.277 405 I HA 0.212 4.382 4.170 0.000 0.000 0.243 405 I C 1.138 177.350 176.117 0.158 0.000 1.094 405 I CA 1.269 62.653 61.300 0.140 0.000 1.393 405 I CB -0.835 37.184 38.000 0.033 0.000 1.078 405 I HN 0.737 nan 8.210 nan 0.000 0.417 406 G N 0.495 109.390 108.800 0.159 0.000 2.632 406 G HA2 0.548 4.508 3.960 0.000 0.000 0.292 406 G HA3 0.548 4.508 3.960 0.000 0.000 0.292 406 G C -1.239 173.735 174.900 0.122 0.000 1.465 406 G CA -0.557 44.630 45.100 0.145 0.000 0.824 406 G HN -0.033 nan 8.290 nan 0.000 0.509 407 I N 1.555 122.123 120.570 -0.003 0.000 2.371 407 I HA 0.243 4.414 4.170 0.000 0.000 0.290 407 I C 0.661 176.715 176.117 -0.105 0.000 1.028 407 I CA -0.537 60.664 61.300 -0.166 0.000 1.345 407 I CB 1.725 39.341 38.000 -0.641 0.000 1.407 407 I HN 0.508 nan 8.210 nan 0.000 0.501 408 E N 4.848 125.047 120.200 -0.002 0.000 2.290 408 E HA 0.332 4.682 4.350 0.000 0.000 0.197 408 E C 0.149 176.694 176.600 -0.091 0.000 0.948 408 E CA 0.256 56.693 56.400 0.063 0.000 0.895 408 E CB 0.771 30.587 29.700 0.194 0.000 0.865 408 E HN 0.676 nan 8.360 nan 0.000 0.486 409 A N 0.530 123.188 122.820 -0.269 0.000 2.608 409 A HA 0.630 4.950 4.320 0.000 0.000 0.292 409 A C -1.989 175.514 177.584 -0.135 0.000 1.066 409 A CA -0.630 51.180 52.037 -0.379 0.000 0.676 409 A CB 1.319 19.559 19.000 -1.266 0.000 1.277 409 A HN 0.041 nan 8.150 nan 0.000 0.413 410 L N 1.143 122.337 121.223 -0.048 0.000 2.470 410 L HA 0.817 5.157 4.340 0.000 0.000 0.268 410 L C 0.041 176.943 176.870 0.053 0.000 0.964 410 L CA 0.548 55.394 54.840 0.009 0.000 0.839 410 L CB 2.160 44.248 42.059 0.047 0.000 1.276 410 L HN 1.288 nan 8.230 nan 0.000 0.403 411 T N -0.404 114.193 114.554 0.073 0.000 2.807 411 T HA 0.437 4.787 4.350 0.000 0.000 0.277 411 T C 0.953 175.688 174.700 0.058 0.000 1.006 411 T CA 0.077 62.230 62.100 0.088 0.000 1.006 411 T CB 1.164 70.115 68.868 0.139 0.000 1.274 411 T HN 0.668 nan 8.240 nan 0.000 0.569 412 S N -0.527 115.206 115.700 0.054 0.000 2.453 412 S HA -0.044 4.426 4.470 0.000 0.000 0.231 412 S C 0.833 175.407 174.600 -0.043 0.000 1.005 412 S CA 0.885 59.103 58.200 0.030 0.000 0.949 412 S CB -0.489 62.734 63.200 0.039 0.000 0.774 412 S HN 0.696 nan 8.310 nan 0.000 0.510 413 D N -0.605 119.747 120.400 -0.079 0.000 2.379 413 D HA 0.266 4.907 4.640 0.000 0.000 0.218 413 D C -0.511 175.460 176.300 -0.547 0.000 1.006 413 D CA 0.634 54.456 54.000 -0.297 0.000 0.893 413 D CB 0.253 40.881 40.800 -0.286 0.000 1.019 413 D HN 0.422 nan 8.370 nan 0.000 0.503 414 Y N -0.247 119.980 120.300 -0.122 0.000 2.553 414 Y HA 0.492 5.042 4.550 0.000 0.000 0.347 414 Y C -0.643 175.059 175.900 -0.331 0.000 1.019 414 Y CA -1.013 56.919 58.100 -0.280 0.000 1.032 414 Y CB 2.358 40.532 38.460 -0.476 0.000 1.284 414 Y HN -0.290 nan 8.280 nan 0.000 0.466 415 L N 2.818 123.900 121.223 -0.236 0.000 2.356 415 L HA 0.614 4.954 4.340 0.000 0.000 0.277 415 L C -1.888 174.830 176.870 -0.254 0.000 0.996 415 L CA -0.611 54.074 54.840 -0.259 0.000 0.822 415 L CB 0.853 42.662 42.059 -0.416 0.000 1.256 415 L HN 0.606 nan 8.230 nan 0.000 0.413 416 Y N 4.926 125.120 120.300 -0.176 0.000 2.330 416 Y HA 0.548 5.099 4.550 0.000 0.000 0.336 416 Y C -0.391 175.477 175.900 -0.053 0.000 1.036 416 Y CA -0.318 57.665 58.100 -0.195 0.000 1.125 416 Y CB 1.274 39.477 38.460 -0.428 0.000 1.194 416 Y HN 0.542 nan 8.280 nan 0.000 0.469 417 Y N 0.646 120.983 120.300 0.060 0.000 2.655 417 Y HA 0.784 5.334 4.550 0.000 0.000 0.336 417 Y C -1.826 174.142 175.900 0.113 0.000 1.154 417 Y CA -1.817 56.314 58.100 0.053 0.000 1.055 417 Y CB 1.119 39.585 38.460 0.009 0.000 1.295 417 Y HN 0.277 nan 8.280 nan 0.000 0.465 418 I N 3.012 123.731 120.570 0.247 0.000 2.412 418 I HA 0.615 4.785 4.170 0.000 0.000 0.296 418 I C -0.235 176.046 176.117 0.274 0.000 0.987 418 I CA -0.310 61.084 61.300 0.157 0.000 1.180 418 I CB 1.536 39.584 38.000 0.080 0.000 1.340 418 I HN 0.890 nan 8.210 nan 0.000 0.455 419 S N 3.845 119.675 115.700 0.218 0.000 2.607 419 S HA 0.444 4.914 4.470 0.000 0.000 0.273 419 S C -0.431 174.213 174.600 0.074 0.000 1.148 419 S CA -0.832 57.481 58.200 0.190 0.000 0.833 419 S CB 1.914 65.246 63.200 0.221 0.000 1.130 419 S HN 0.586 nan 8.310 nan 0.000 0.470 420 N N -0.135 118.604 118.700 0.065 0.000 2.376 420 N HA 0.137 4.877 4.740 0.000 0.000 0.249 420 N C 0.528 176.018 175.510 -0.033 0.000 1.140 420 N CA -0.269 52.782 53.050 0.003 0.000 0.870 420 N CB 0.297 38.774 38.487 -0.018 0.000 1.124 420 N HN 0.842 nan 8.380 nan 0.000 0.505 421 E N -0.104 119.949 120.200 -0.246 0.000 2.072 421 E HA -0.189 4.162 4.350 0.000 0.000 0.190 421 E C -0.318 176.130 176.600 -0.252 0.000 0.982 421 E CA 0.136 56.161 56.400 -0.625 0.000 0.803 421 E CB -0.105 28.570 29.700 -1.709 0.000 0.755 421 E HN 0.370 nan 8.360 nan 0.000 0.453 422 Y N 2.322 122.523 120.300 -0.165 0.000 2.881 422 Y HA -0.168 4.382 4.550 0.000 0.000 0.335 422 Y C 0.323 176.183 175.900 -0.067 0.000 1.263 422 Y CA 0.970 59.027 58.100 -0.072 0.000 1.572 422 Y CB 0.027 38.474 38.460 -0.021 0.000 1.237 422 Y HN 0.110 nan 8.280 nan 0.000 0.568 423 K N 3.425 123.514 120.400 -0.518 0.000 3.048 423 K HA -0.255 4.065 4.320 0.000 0.000 0.274 423 K C 0.900 177.416 176.600 -0.140 0.000 1.098 423 K CA 0.761 56.815 56.287 -0.388 0.000 0.807 423 K CB -1.858 30.349 32.500 -0.487 0.000 1.217 423 K HN 1.263 nan 8.250 nan 0.000 0.477 424 G N 0.604 109.342 108.800 -0.102 0.000 2.296 424 G HA2 -0.340 3.620 3.960 0.000 0.000 0.282 424 G HA3 -0.340 3.620 3.960 0.000 0.000 0.282 424 G C 0.068 174.945 174.900 -0.038 0.000 1.014 424 G CA 0.946 46.035 45.100 -0.017 0.000 0.812 424 G HN 0.380 nan 8.290 nan 0.000 0.508 425 M N 0.004 119.512 119.600 -0.154 0.000 2.069 425 M HA 0.233 4.713 4.480 0.000 0.000 0.349 425 M C -1.181 174.877 176.300 -0.404 0.000 1.194 425 M CA -2.001 53.050 55.300 -0.416 0.000 1.081 425 M CB 1.556 33.986 32.600 -0.283 0.000 1.500 425 M HN -0.139 nan 8.290 nan 0.000 0.438 426 P HA -0.109 nan 4.420 nan 0.000 0.218 426 P C 1.164 178.324 177.300 -0.235 0.000 1.148 426 P CA 1.087 64.000 63.100 -0.312 0.000 0.822 426 P CB 0.179 31.660 31.700 -0.364 0.000 0.784 427 G N -1.189 107.408 108.800 -0.339 0.000 3.314 427 G HA2 0.319 4.279 3.960 0.000 0.000 0.238 427 G HA3 0.319 4.279 3.960 0.000 0.000 0.238 427 G C 0.542 175.447 174.900 0.009 0.000 1.184 427 G CA 0.078 45.116 45.100 -0.104 0.000 0.806 427 G HN 0.383 nan 8.290 nan 0.000 0.536 428 G N -0.310 108.441 108.800 -0.082 0.000 2.511 428 G HA2 0.715 4.675 3.960 0.000 0.000 0.318 428 G HA3 0.715 4.675 3.960 0.000 0.000 0.318 428 G C -0.913 173.893 174.900 -0.157 0.000 1.210 428 G CA -0.968 44.118 45.100 -0.023 0.000 0.969 428 G HN 0.230 nan 8.290 nan 0.000 0.484 429 R N 0.630 121.009 120.500 -0.202 0.000 2.535 429 R HA 0.369 4.709 4.340 0.000 0.000 0.274 429 R C -1.277 174.983 176.300 -0.066 0.000 1.090 429 R CA -0.820 55.133 56.100 -0.245 0.000 0.930 429 R CB 2.273 32.198 30.300 -0.625 0.000 1.223 429 R HN 0.543 nan 8.270 nan 0.000 0.441 430 N N 1.626 120.300 118.700 -0.043 0.000 2.357 430 N HA 0.365 5.105 4.740 0.000 0.000 0.284 430 N C -1.625 173.734 175.510 -0.251 0.000 1.236 430 N CA -0.841 52.084 53.050 -0.208 0.000 0.774 430 N CB 2.510 40.756 38.487 -0.403 0.000 1.534 430 N HN 0.218 nan 8.380 nan 0.000 0.478 431 L N 1.753 122.680 121.223 -0.494 0.000 2.292 431 L HA 0.487 4.827 4.340 0.000 0.000 0.284 431 L C -1.455 175.032 176.870 -0.640 0.000 1.065 431 L CA 0.019 54.612 54.840 -0.412 0.000 0.806 431 L CB 0.009 41.828 42.059 -0.399 0.000 1.175 431 L HN 0.414 nan 8.230 nan 0.000 0.431 432 Y N 3.193 123.136 120.300 -0.594 0.000 2.576 432 Y HA 0.625 5.175 4.550 0.000 0.000 0.346 432 Y C -0.571 174.943 175.900 -0.642 0.000 1.018 432 Y CA -0.942 56.756 58.100 -0.670 0.000 1.050 432 Y CB 1.739 39.637 38.460 -0.937 0.000 1.280 432 Y HN 0.556 nan 8.280 nan 0.000 0.474 433 K N 1.993 122.200 120.400 -0.321 0.000 2.427 433 K HA 0.765 5.085 4.320 0.000 0.000 0.252 433 K C -1.888 174.641 176.600 -0.118 0.000 0.931 433 K CA -0.721 55.295 56.287 -0.452 0.000 0.793 433 K CB 2.794 34.758 32.500 -0.893 0.000 1.211 433 K HN 0.759 nan 8.250 nan 0.000 0.426 434 I N 2.264 122.850 120.570 0.028 0.000 2.406 434 I HA 0.161 4.331 4.170 0.000 0.000 0.290 434 I C -0.712 175.501 176.117 0.160 0.000 0.999 434 I CA -0.796 60.596 61.300 0.154 0.000 1.124 434 I CB 1.969 40.080 38.000 0.184 0.000 1.289 434 I HN 0.872 nan 8.210 nan 0.000 0.441 435 Q N 6.276 126.167 119.800 0.153 0.000 2.262 435 Q HA 0.138 4.478 4.340 0.000 0.000 0.272 435 Q C 0.345 176.304 176.000 -0.068 0.000 1.076 435 Q CA -0.063 55.663 55.803 -0.128 0.000 0.905 435 Q CB 1.022 29.703 28.738 -0.096 0.000 1.182 435 Q HN 0.832 nan 8.270 nan 0.000 0.390 436 L N 2.593 123.713 121.223 -0.171 0.000 2.191 436 L HA -0.179 4.161 4.340 0.000 0.000 0.212 436 L C 2.160 178.957 176.870 -0.122 0.000 1.103 436 L CA 1.343 56.164 54.840 -0.033 0.000 0.769 436 L CB -0.408 41.586 42.059 -0.108 0.000 0.908 436 L HN 0.697 nan 8.230 nan 0.000 0.438 437 S N -2.664 112.916 115.700 -0.200 0.000 2.528 437 S HA -0.028 4.442 4.470 0.000 0.000 0.219 437 S C 0.583 175.016 174.600 -0.278 0.000 0.985 437 S CA -0.006 58.058 58.200 -0.227 0.000 0.914 437 S CB 0.137 63.234 63.200 -0.170 0.000 0.776 437 S HN 0.346 nan 8.310 nan 0.000 0.526 438 D N -0.046 120.212 120.400 -0.236 0.000 2.337 438 D HA 0.215 4.855 4.640 0.000 0.000 0.238 438 D C -0.508 175.769 176.300 -0.037 0.000 1.331 438 D CA -0.572 53.316 54.000 -0.187 0.000 0.967 438 D CB 0.243 40.985 40.800 -0.096 0.000 1.382 438 D HN -0.006 nan 8.370 nan 0.000 0.549 439 Y N 0.882 121.169 120.300 -0.023 0.000 2.569 439 Y HA -0.120 4.431 4.550 0.000 0.000 0.293 439 Y C 2.576 178.485 175.900 0.015 0.000 1.144 439 Y CA 1.400 59.497 58.100 -0.004 0.000 1.321 439 Y CB -1.015 37.444 38.460 -0.003 0.000 0.982 439 Y HN 0.410 nan 8.280 nan 0.000 0.558 440 T N -2.630 112.004 114.554 0.134 0.000 3.055 440 T HA -0.027 4.324 4.350 0.000 0.000 0.265 440 T C 0.740 175.491 174.700 0.085 0.000 1.111 440 T CA 0.206 62.362 62.100 0.092 0.000 1.118 440 T CB -0.193 68.704 68.868 0.048 0.000 0.909 440 T HN 0.130 nan 8.240 nan 0.000 0.501 441 K N 2.008 122.461 120.400 0.088 0.000 2.231 441 K HA 0.491 4.811 4.320 0.000 0.000 0.255 441 K C -1.284 175.385 176.600 0.116 0.000 1.108 441 K CA -0.352 55.987 56.287 0.086 0.000 0.997 441 K CB 1.150 33.693 32.500 0.071 0.000 1.549 441 K HN 0.132 nan 8.250 nan 0.000 0.419 442 V N 2.357 122.336 119.914 0.108 0.000 2.417 442 V HA 0.285 4.405 4.120 0.000 0.000 0.291 442 V C -0.068 176.080 176.094 0.090 0.000 1.024 442 V CA -0.604 61.770 62.300 0.123 0.000 0.861 442 V CB 1.894 33.805 31.823 0.146 0.000 0.985 442 V HN 0.578 nan 8.190 nan 0.000 0.436 443 T N 3.446 118.026 114.554 0.044 0.000 2.812 443 T HA 0.270 4.620 4.350 0.000 0.000 0.282 443 T C -0.483 174.134 174.700 -0.138 0.000 0.990 443 T CA -0.297 61.779 62.100 -0.040 0.000 0.960 443 T CB 1.319 70.128 68.868 -0.098 0.000 0.948 443 T HN 0.773 nan 8.240 nan 0.000 0.438 444 C N 4.814 123.959 119.300 -0.258 0.000 2.415 444 C HA 0.477 4.937 4.460 0.000 0.000 0.369 444 C C 1.475 176.139 174.990 -0.544 0.000 1.279 444 C CA -0.545 58.037 59.018 -0.726 0.000 1.886 444 C CB -1.572 25.642 27.740 -0.878 0.000 2.468 444 C HN 0.991 nan 8.230 nan 0.000 0.553 445 L N 4.692 125.561 121.223 -0.590 0.000 2.616 445 L HA 0.140 4.480 4.340 0.000 0.000 0.229 445 L C 1.918 178.490 176.870 -0.498 0.000 1.110 445 L CA 0.555 55.139 54.840 -0.426 0.000 0.884 445 L CB -0.136 41.719 42.059 -0.340 0.000 1.115 445 L HN 0.883 nan 8.230 nan 0.000 0.481 446 S N -3.444 111.847 115.700 -0.681 0.000 2.628 446 S HA -0.008 4.463 4.470 0.000 0.000 0.246 446 S C 1.768 175.992 174.600 -0.626 0.000 1.062 446 S CA -0.072 57.648 58.200 -0.801 0.000 1.028 446 S CB -0.275 62.058 63.200 -1.446 0.000 0.985 446 S HN 0.275 nan 8.310 nan 0.000 0.551 447 C N 2.780 121.666 119.300 -0.690 0.000 2.363 447 C HA -0.066 4.394 4.460 0.000 0.000 0.274 447 C C 2.298 177.005 174.990 -0.472 0.000 1.183 447 C CA 1.283 59.826 59.018 -0.792 0.000 1.771 447 C CB -0.877 26.163 27.740 -1.166 0.000 2.059 447 C HN 0.594 nan 8.230 nan 0.000 0.455 448 E N 0.277 120.282 120.200 -0.325 0.000 2.463 448 E HA 0.178 4.529 4.350 0.000 0.000 0.193 448 E C 1.852 178.400 176.600 -0.087 0.000 1.041 448 E CA -0.022 56.286 56.400 -0.153 0.000 0.879 448 E CB -0.270 29.362 29.700 -0.114 0.000 0.997 448 E HN 0.658 nan 8.360 nan 0.000 0.478 449 L N 0.499 121.667 121.223 -0.093 0.000 2.012 449 L HA -0.099 4.241 4.340 0.000 0.000 0.210 449 L C 1.052 177.933 176.870 0.019 0.000 1.073 449 L CA 1.021 55.849 54.840 -0.019 0.000 0.748 449 L CB -0.045 42.024 42.059 0.017 0.000 0.891 449 L HN 0.058 nan 8.230 nan 0.000 0.431 450 N N -1.641 117.083 118.700 0.040 0.000 3.111 450 N HA 0.059 4.800 4.740 0.000 0.000 0.200 450 N C -2.136 173.399 175.510 0.043 0.000 1.464 450 N CA -0.740 52.329 53.050 0.033 0.000 0.758 450 N CB 0.742 39.244 38.487 0.025 0.000 1.548 450 N HN -0.192 nan 8.380 nan 0.000 0.595 451 P HA -0.160 nan 4.420 nan 0.000 0.217 451 P C 0.699 178.041 177.300 0.070 0.000 1.148 451 P CA 1.343 64.492 63.100 0.082 0.000 0.828 451 P CB 0.672 32.435 31.700 0.105 0.000 0.783 452 E N -0.381 119.842 120.200 0.039 0.000 2.072 452 E HA -0.117 4.233 4.350 0.000 0.000 0.190 452 E C 2.419 179.020 176.600 0.003 0.000 0.982 452 E CA 0.653 57.067 56.400 0.023 0.000 0.803 452 E CB -0.215 29.491 29.700 0.011 0.000 0.755 452 E HN 0.209 nan 8.360 nan 0.000 0.453 453 R N -0.062 120.429 120.500 -0.015 0.000 2.189 453 R HA 0.094 4.434 4.340 0.000 0.000 0.203 453 R C -0.231 176.023 176.300 -0.076 0.000 1.012 453 R CA 0.410 56.478 56.100 -0.053 0.000 1.015 453 R CB 0.498 30.756 30.300 -0.071 0.000 0.938 453 R HN 0.075 nan 8.270 nan 0.000 0.472 454 c N 1.012 119.580 118.600 -0.053 0.000 2.344 454 c HA 0.422 4.992 4.570 0.000 0.000 0.326 454 c C 0.022 174.117 174.090 0.008 0.000 1.201 454 c CA -0.683 55.568 56.329 -0.130 0.000 1.410 454 c CB 1.350 43.728 42.510 -0.221 0.000 2.070 454 c HN 0.512 nan 8.230 nan 0.000 0.445 455 Q N 0.422 120.226 119.800 0.007 0.000 2.113 455 Q HA 0.215 4.555 4.340 0.000 0.000 0.225 455 Q C -0.910 175.183 176.000 0.155 0.000 0.786 455 Q CA 0.129 56.007 55.803 0.126 0.000 0.989 455 Q CB 1.330 30.143 28.738 0.126 0.000 1.174 455 Q HN 0.828 nan 8.270 nan 0.000 0.470 456 Y N 0.309 120.549 120.300 -0.099 0.000 2.322 456 Y HA 0.395 4.946 4.550 0.000 0.000 0.324 456 Y C -1.619 174.174 175.900 -0.178 0.000 1.027 456 Y CA -0.955 57.102 58.100 -0.071 0.000 1.179 456 Y CB 1.023 39.433 38.460 -0.083 0.000 1.136 456 Y HN -0.089 nan 8.280 nan 0.000 0.449 457 Y N 2.206 122.452 120.300 -0.090 0.000 2.562 457 Y HA 0.698 5.248 4.550 0.000 0.000 0.343 457 Y C -0.084 175.775 175.900 -0.070 0.000 1.025 457 Y CA -0.779 57.285 58.100 -0.061 0.000 1.082 457 Y CB 2.432 40.821 38.460 -0.118 0.000 1.264 457 Y HN 0.511 nan 8.280 nan 0.000 0.478 458 S N 0.421 116.224 115.700 0.173 0.000 2.595 458 S HA 0.884 5.354 4.470 0.000 0.000 0.281 458 S C -1.681 172.996 174.600 0.128 0.000 1.117 458 S CA -0.740 57.537 58.200 0.129 0.000 0.873 458 S CB 1.856 65.141 63.200 0.142 0.000 1.108 458 S HN 0.676 nan 8.310 nan 0.000 0.477 459 V N 0.248 120.237 119.914 0.125 0.000 3.159 459 V HA 0.887 5.007 4.120 0.000 0.000 0.308 459 V C -1.291 174.897 176.094 0.156 0.000 1.190 459 V CA -0.308 62.047 62.300 0.092 0.000 1.037 459 V CB 2.354 34.169 31.823 -0.013 0.000 1.060 459 V HN 1.201 nan 8.190 nan 0.000 0.437 460 S N 3.668 119.451 115.700 0.138 0.000 2.789 460 S HA 0.660 5.130 4.470 0.000 0.000 0.286 460 S C -1.269 173.480 174.600 0.249 0.000 1.153 460 S CA -0.370 58.005 58.200 0.292 0.000 1.084 460 S CB 0.397 63.825 63.200 0.380 0.000 1.036 460 S HN 0.490 nan 8.310 nan 0.000 0.484 461 F N 3.141 123.145 119.950 0.090 0.000 2.375 461 F HA 0.448 4.975 4.527 0.000 0.000 0.333 461 F C 1.422 176.830 175.800 -0.653 0.000 1.104 461 F CA -0.209 57.681 58.000 -0.182 0.000 1.149 461 F CB 1.418 40.293 39.000 -0.208 0.000 1.190 461 F HN 0.626 nan 8.300 nan 0.000 0.533 462 S N 2.198 117.324 115.700 -0.957 0.000 2.617 462 S HA 0.157 4.627 4.470 0.000 0.000 0.259 462 S C 1.305 175.649 174.600 -0.426 0.000 1.301 462 S CA -0.806 56.576 58.200 -1.362 0.000 0.984 462 S CB 0.739 63.171 63.200 -1.280 0.000 0.954 462 S HN 0.560 nan 8.310 nan 0.000 0.572 463 K N 0.728 120.997 120.400 -0.219 0.000 2.071 463 K HA -0.160 4.160 4.320 0.000 0.000 0.217 463 K C 0.931 177.500 176.600 -0.051 0.000 1.054 463 K CA 2.032 58.288 56.287 -0.052 0.000 0.937 463 K CB -0.585 31.919 32.500 0.007 0.000 0.719 463 K HN 0.714 nan 8.250 nan 0.000 0.454 464 E N -1.318 118.827 120.200 -0.091 0.000 2.609 464 E HA 0.317 4.667 4.350 0.000 0.000 0.208 464 E C -0.255 176.299 176.600 -0.076 0.000 1.013 464 E CA 0.413 56.778 56.400 -0.058 0.000 1.093 464 E CB 0.565 30.238 29.700 -0.045 0.000 1.129 464 E HN 0.270 nan 8.360 nan 0.000 0.450 465 A N 0.459 123.224 122.820 -0.093 0.000 2.816 465 A HA -0.385 3.936 4.320 0.000 0.000 0.270 465 A C 1.648 179.206 177.584 -0.043 0.000 1.413 465 A CA 1.697 53.707 52.037 -0.045 0.000 0.866 465 A CB -1.896 16.977 19.000 -0.212 0.000 1.032 465 A HN 0.328 nan 8.150 nan 0.000 0.642 466 K N -1.795 118.514 120.400 -0.152 0.000 2.148 466 K HA 0.039 4.359 4.320 0.000 0.000 0.204 466 K C 0.123 176.401 176.600 -0.536 0.000 1.050 466 K CA 1.558 57.651 56.287 -0.322 0.000 0.942 466 K CB -0.034 32.246 32.500 -0.366 0.000 0.724 466 K HN 0.688 nan 8.250 nan 0.000 0.446 467 Y N -1.039 119.172 120.300 -0.149 0.000 2.581 467 Y HA 0.324 4.874 4.550 0.000 0.000 0.345 467 Y C -1.016 174.770 175.900 -0.190 0.000 1.036 467 Y CA -1.392 56.621 58.100 -0.145 0.000 1.042 467 Y CB 1.705 40.111 38.460 -0.089 0.000 1.289 467 Y HN -0.038 nan 8.280 nan 0.000 0.471 468 Y N -0.919 119.307 120.300 -0.123 0.000 2.504 468 Y HA 0.538 5.089 4.550 0.000 0.000 0.344 468 Y C -1.177 174.702 175.900 -0.035 0.000 1.023 468 Y CA -1.495 56.353 58.100 -0.420 0.000 1.020 468 Y CB 1.485 39.101 38.460 -1.406 0.000 1.282 468 Y HN 0.600 nan 8.280 nan 0.000 0.454 469 Q N 3.951 123.861 119.800 0.183 0.000 2.290 469 Q HA 0.573 4.913 4.340 0.000 0.000 0.259 469 Q C -1.815 174.266 176.000 0.135 0.000 0.941 469 Q CA -0.692 55.199 55.803 0.147 0.000 0.912 469 Q CB 1.356 30.161 28.738 0.111 0.000 1.244 469 Q HN 0.978 nan 8.270 nan 0.000 0.441 470 L N 4.110 125.430 121.223 0.160 0.000 2.295 470 L HA 0.546 4.886 4.340 0.000 0.000 0.285 470 L C -0.115 176.814 176.870 0.099 0.000 1.035 470 L CA -0.559 54.375 54.840 0.157 0.000 0.806 470 L CB 1.559 43.716 42.059 0.163 0.000 1.214 470 L HN 0.605 nan 8.230 nan 0.000 0.426 471 R N 3.242 123.773 120.500 0.051 0.000 2.320 471 R HA 0.330 4.670 4.340 0.000 0.000 0.319 471 R C -0.985 175.151 176.300 -0.274 0.000 0.969 471 R CA -0.479 55.464 56.100 -0.261 0.000 0.857 471 R CB 1.242 31.417 30.300 -0.208 0.000 1.160 471 R HN 0.737 nan 8.270 nan 0.000 0.491 472 c N 4.052 122.367 118.600 -0.475 0.000 2.347 472 c HA 0.427 4.997 4.570 0.000 0.000 0.353 472 c C 1.272 175.114 174.090 -0.413 0.000 1.273 472 c CA -0.203 55.713 56.329 -0.689 0.000 1.861 472 c CB 0.420 42.504 42.510 -0.709 0.000 2.420 472 c HN 0.943 nan 8.230 nan 0.000 0.542 473 S N 3.704 119.245 115.700 -0.264 0.000 2.650 473 S HA 0.608 5.078 4.470 0.000 0.000 0.240 473 S C 0.364 174.909 174.600 -0.091 0.000 1.007 473 S CA 0.232 58.346 58.200 -0.142 0.000 0.984 473 S CB 0.043 63.190 63.200 -0.090 0.000 0.910 473 S HN 1.917 nan 8.310 nan 0.000 0.509 474 G N 1.779 110.513 108.800 -0.110 0.000 2.325 474 G HA2 0.395 4.356 3.960 0.000 0.000 0.297 474 G HA3 0.395 4.356 3.960 0.000 0.000 0.297 474 G C -3.031 171.846 174.900 -0.038 0.000 1.448 474 G CA -0.545 44.532 45.100 -0.038 0.000 0.838 474 G HN -0.132 nan 8.290 nan 0.000 0.579 475 P HA 0.119 nan 4.420 nan 0.000 0.233 475 P C 1.253 178.564 177.300 0.018 0.000 1.167 475 P CA 1.269 64.390 63.100 0.034 0.000 0.770 475 P CB 0.401 32.122 31.700 0.035 0.000 0.837 476 G N 0.369 109.118 108.800 -0.085 0.000 2.525 476 G HA2 0.414 4.374 3.960 0.000 0.000 0.287 476 G HA3 0.414 4.374 3.960 0.000 0.000 0.287 476 G C -0.253 174.421 174.900 -0.378 0.000 1.350 476 G CA -0.756 44.217 45.100 -0.211 0.000 1.039 476 G HN 0.036 nan 8.290 nan 0.000 0.513 477 L N 1.003 121.921 121.223 -0.507 0.000 2.483 477 L HA 0.150 4.490 4.340 0.000 0.000 0.276 477 L C -1.853 174.867 176.870 -0.249 0.000 1.213 477 L CA -1.251 53.272 54.840 -0.527 0.000 0.843 477 L CB 0.546 42.359 42.059 -0.410 0.000 1.107 477 L HN 0.238 nan 8.230 nan 0.000 0.487 478 P HA -0.015 nan 4.420 nan 0.000 0.263 478 P C -0.935 176.307 177.300 -0.097 0.000 1.175 478 P CA 0.129 63.159 63.100 -0.116 0.000 0.761 478 P CB 0.479 32.200 31.700 0.034 0.000 0.794 479 L N 5.498 126.585 121.223 -0.225 0.000 2.406 479 L HA 0.455 4.795 4.340 0.000 0.000 0.272 479 L C -1.749 174.991 176.870 -0.217 0.000 0.980 479 L CA -0.714 54.054 54.840 -0.121 0.000 0.831 479 L CB 0.862 42.855 42.059 -0.110 0.000 1.253 479 L HN 0.248 nan 8.230 nan 0.000 0.406 480 Y N 3.025 123.275 120.300 -0.084 0.000 2.331 480 Y HA 0.714 5.264 4.550 0.000 0.000 0.338 480 Y C 0.585 176.376 175.900 -0.182 0.000 0.992 480 Y CA -0.417 57.613 58.100 -0.117 0.000 1.121 480 Y CB 2.006 40.361 38.460 -0.174 0.000 1.184 480 Y HN 0.682 nan 8.280 nan 0.000 0.469 481 T N 1.027 115.580 114.554 -0.003 0.000 2.906 481 T HA 0.682 5.033 4.350 0.000 0.000 0.295 481 T C -1.546 173.067 174.700 -0.145 0.000 1.075 481 T CA -0.905 61.130 62.100 -0.109 0.000 1.005 481 T CB 1.972 70.821 68.868 -0.032 0.000 1.136 481 T HN 0.391 nan 8.240 nan 0.000 0.498 482 L N 1.982 122.996 121.223 -0.349 0.000 2.346 482 L HA 0.620 4.961 4.340 0.000 0.000 0.276 482 L C -0.741 175.795 176.870 -0.556 0.000 1.006 482 L CA -0.314 54.364 54.840 -0.270 0.000 0.817 482 L CB 1.232 43.183 42.059 -0.179 0.000 1.272 482 L HN 0.843 nan 8.230 nan 0.000 0.421 483 H N 1.399 120.236 119.070 -0.388 0.000 2.894 483 H HA 0.615 5.171 4.556 0.000 0.000 0.368 483 H C -0.951 174.130 175.328 -0.412 0.000 1.181 483 H CA -0.888 54.836 56.048 -0.540 0.000 1.146 483 H CB 2.096 31.204 29.762 -1.089 0.000 1.839 483 H HN 0.567 nan 8.280 nan 0.000 0.557 484 S N 0.102 115.714 115.700 -0.145 0.000 2.454 484 S HA 0.226 4.697 4.470 0.000 0.000 0.306 484 S C 0.563 175.121 174.600 -0.070 0.000 1.100 484 S CA -0.733 57.382 58.200 -0.142 0.000 1.087 484 S CB 1.872 65.020 63.200 -0.086 0.000 1.019 484 S HN 0.564 nan 8.310 nan 0.000 0.480 485 S N 2.125 117.808 115.700 -0.029 0.000 2.406 485 S HA -0.101 4.369 4.470 0.000 0.000 0.228 485 S C 1.939 176.579 174.600 0.068 0.000 1.020 485 S CA 0.897 59.186 58.200 0.148 0.000 0.965 485 S CB -0.461 62.819 63.200 0.133 0.000 0.798 485 S HN 0.702 nan 8.310 nan 0.000 0.488 486 V N 2.647 122.556 119.914 -0.010 0.000 2.250 486 V HA -0.249 3.871 4.120 0.000 0.000 0.250 486 V C 0.616 176.724 176.094 0.024 0.000 1.060 486 V CA 2.235 64.542 62.300 0.012 0.000 1.030 486 V CB -0.451 31.365 31.823 -0.011 0.000 0.643 486 V HN 0.545 nan 8.190 nan 0.000 0.445 487 N N -0.778 117.931 118.700 0.015 0.000 2.299 487 N HA 0.215 4.955 4.740 0.000 0.000 0.246 487 N C -0.512 175.011 175.510 0.022 0.000 1.254 487 N CA 0.230 53.290 53.050 0.016 0.000 0.879 487 N CB 0.537 39.033 38.487 0.014 0.000 1.214 487 N HN 0.371 nan 8.380 nan 0.000 0.510 488 D N 0.964 121.394 120.400 0.050 0.000 2.686 488 D HA -0.196 4.445 4.640 0.000 0.000 0.235 488 D C -0.372 175.964 176.300 0.059 0.000 1.160 488 D CA 1.149 55.204 54.000 0.092 0.000 0.645 488 D CB -0.589 40.257 40.800 0.076 0.000 1.039 488 D HN 0.430 nan 8.370 nan 0.000 0.423 489 K N -0.067 120.348 120.400 0.026 0.000 2.237 489 K HA 0.384 4.704 4.320 0.000 0.000 0.270 489 K C 1.061 177.653 176.600 -0.013 0.000 1.015 489 K CA -0.059 56.233 56.287 0.008 0.000 0.949 489 K CB 1.007 33.504 32.500 -0.005 0.000 0.976 489 K HN 0.140 nan 8.250 nan 0.000 0.472 490 G N 3.175 111.949 108.800 -0.044 0.000 2.546 490 G HA2 0.180 4.140 3.960 0.000 0.000 0.320 490 G HA3 0.180 4.140 3.960 0.000 0.000 0.320 490 G C 0.790 175.551 174.900 -0.231 0.000 0.984 490 G CA -0.376 44.589 45.100 -0.225 0.000 1.183 490 G HN 0.561 nan 8.290 nan 0.000 0.443 491 L N 1.488 122.547 121.223 -0.273 0.000 1.976 491 L HA 0.127 4.467 4.340 0.000 0.000 0.209 491 L C 1.752 178.530 176.870 -0.154 0.000 1.071 491 L CA 1.260 56.007 54.840 -0.155 0.000 0.746 491 L CB -0.276 41.719 42.059 -0.107 0.000 0.890 491 L HN 0.702 nan 8.230 nan 0.000 0.432 492 R N -2.130 118.237 120.500 -0.221 0.000 2.728 492 R HA 0.440 4.780 4.340 0.000 0.000 0.274 492 R C -1.678 174.491 176.300 -0.218 0.000 1.032 492 R CA -0.911 55.084 56.100 -0.175 0.000 0.866 492 R CB 1.401 31.630 30.300 -0.119 0.000 1.263 492 R HN -0.259 nan 8.270 nan 0.000 0.475 493 V N 3.086 122.899 119.914 -0.169 0.000 2.406 493 V HA 0.184 4.304 4.120 0.000 0.000 0.272 493 V C 1.313 177.271 176.094 -0.228 0.000 1.043 493 V CA -0.420 61.779 62.300 -0.168 0.000 0.915 493 V CB 1.135 32.896 31.823 -0.104 0.000 0.988 493 V HN 0.652 nan 8.190 nan 0.000 0.466 494 L N 2.614 123.627 121.223 -0.350 0.000 2.202 494 L HA 0.268 4.608 4.340 0.000 0.000 0.205 494 L C 0.737 177.339 176.870 -0.447 0.000 1.083 494 L CA 0.751 55.194 54.840 -0.662 0.000 0.790 494 L CB 0.192 41.447 42.059 -1.339 0.000 0.942 494 L HN 0.687 nan 8.230 nan 0.000 0.452 495 E N -0.087 119.987 120.200 -0.209 0.000 2.343 495 E HA 0.088 4.439 4.350 0.000 0.000 0.288 495 E C -1.186 175.453 176.600 0.064 0.000 0.907 495 E CA -0.378 56.002 56.400 -0.034 0.000 0.792 495 E CB 1.094 30.779 29.700 -0.024 0.000 1.275 495 E HN 0.161 nan 8.360 nan 0.000 0.402 496 D N 2.988 123.406 120.400 0.031 0.000 2.433 496 D HA 0.153 4.793 4.640 0.000 0.000 0.211 496 D C -0.230 176.080 176.300 0.018 0.000 1.114 496 D CA -0.241 53.771 54.000 0.020 0.000 0.837 496 D CB -0.011 40.781 40.800 -0.012 0.000 0.984 496 D HN 0.443 nan 8.370 nan 0.000 0.505 497 N N 0.361 119.087 118.700 0.042 0.000 2.708 497 N HA -0.223 4.517 4.740 0.000 0.000 0.249 497 N C 0.907 176.422 175.510 0.009 0.000 1.097 497 N CA 0.951 54.021 53.050 0.034 0.000 0.710 497 N CB -1.303 37.199 38.487 0.025 0.000 1.032 497 N HN 0.498 nan 8.380 nan 0.000 0.551 498 S N -1.275 114.431 115.700 0.009 0.000 2.419 498 S HA -0.019 4.451 4.470 0.000 0.000 0.233 498 S C 2.077 176.688 174.600 0.018 0.000 1.016 498 S CA 0.902 59.104 58.200 0.003 0.000 0.974 498 S CB -0.060 63.142 63.200 0.003 0.000 0.786 498 S HN 0.510 nan 8.310 nan 0.000 0.492 499 A N 2.056 124.896 122.820 0.033 0.000 1.873 499 A HA 0.091 4.411 4.320 0.000 0.000 0.215 499 A C 2.211 179.835 177.584 0.067 0.000 1.186 499 A CA 1.523 53.589 52.037 0.049 0.000 0.616 499 A CB -0.898 18.134 19.000 0.054 0.000 0.823 499 A HN 0.503 nan 8.150 nan 0.000 0.442 500 L N 0.443 121.710 121.223 0.072 0.000 2.046 500 L HA -0.152 4.189 4.340 0.000 0.000 0.208 500 L C 1.939 178.843 176.870 0.057 0.000 1.077 500 L CA 2.815 57.716 54.840 0.101 0.000 0.747 500 L CB -0.750 41.369 42.059 0.100 0.000 0.896 500 L HN 0.506 nan 8.230 nan 0.000 0.432 501 D N -0.510 119.892 120.400 0.005 0.000 2.123 501 D HA -0.293 4.347 4.640 0.000 0.000 0.196 501 D C 2.260 178.561 176.300 0.001 0.000 0.992 501 D CA 1.702 55.685 54.000 -0.028 0.000 0.833 501 D CB -0.122 40.650 40.800 -0.047 0.000 0.954 501 D HN 0.407 nan 8.370 nan 0.000 0.455 502 K N -0.589 119.826 120.400 0.024 0.000 2.057 502 K HA -0.154 4.167 4.320 0.000 0.000 0.207 502 K C 2.173 178.810 176.600 0.061 0.000 1.049 502 K CA 1.181 57.490 56.287 0.037 0.000 0.931 502 K CB -0.099 32.426 32.500 0.041 0.000 0.714 502 K HN 0.219 nan 8.250 nan 0.000 0.440 503 M N 0.619 120.278 119.600 0.099 0.000 2.099 503 M HA -0.118 4.362 4.480 0.000 0.000 0.262 503 M C 2.085 178.445 176.300 0.101 0.000 1.067 503 M CA 1.359 56.762 55.300 0.172 0.000 1.124 503 M CB -0.168 32.623 32.600 0.319 0.000 1.353 503 M HN 0.150 nan 8.290 nan 0.000 0.410 504 L N -0.079 121.146 121.223 0.004 0.000 2.265 504 L HA -0.204 4.136 4.340 0.000 0.000 0.215 504 L C 2.507 179.344 176.870 -0.056 0.000 1.117 504 L CA 0.672 55.445 54.840 -0.113 0.000 0.782 504 L CB -0.748 41.247 42.059 -0.107 0.000 0.914 504 L HN 0.376 nan 8.230 nan 0.000 0.441 505 Q N 0.024 119.816 119.800 -0.012 0.000 2.291 505 Q HA -0.103 4.237 4.340 0.000 0.000 0.206 505 Q C 1.176 177.187 176.000 0.018 0.000 0.976 505 Q CA 0.935 56.737 55.803 -0.001 0.000 0.875 505 Q CB -0.289 28.454 28.738 0.009 0.000 0.927 505 Q HN 0.563 nan 8.270 nan 0.000 0.450 506 N N 0.105 118.826 118.700 0.035 0.000 2.313 506 N HA 0.076 4.816 4.740 0.000 0.000 0.207 506 N C -0.553 174.992 175.510 0.058 0.000 1.141 506 N CA 0.113 53.197 53.050 0.057 0.000 0.830 506 N CB 1.134 39.672 38.487 0.085 0.000 1.008 506 N HN -0.058 nan 8.380 nan 0.000 0.481 507 V N 0.695 120.620 119.914 0.018 0.000 2.789 507 V HA 0.215 4.336 4.120 0.000 0.000 0.311 507 V C -0.001 176.096 176.094 0.004 0.000 1.073 507 V CA -0.892 61.417 62.300 0.015 0.000 0.921 507 V CB 2.804 34.584 31.823 -0.072 0.000 1.009 507 V HN -0.012 nan 8.190 nan 0.000 0.426 508 Q N 3.945 123.764 119.800 0.032 0.000 2.664 508 Q HA 0.318 4.658 4.340 0.000 0.000 0.223 508 Q C -0.476 175.504 176.000 -0.034 0.000 1.298 508 Q CA -0.234 55.566 55.803 -0.004 0.000 0.965 508 Q CB 0.372 29.136 28.738 0.043 0.000 1.510 508 Q HN 0.513 nan 8.270 nan 0.000 0.567 509 M N 3.438 122.997 119.600 -0.068 0.000 2.242 509 M HA 0.313 4.793 4.480 0.000 0.000 0.344 509 M C -1.917 174.318 176.300 -0.108 0.000 1.140 509 M CA -2.325 52.925 55.300 -0.084 0.000 1.160 509 M CB -0.074 32.477 32.600 -0.082 0.000 1.491 509 M HN 0.265 nan 8.290 nan 0.000 0.459 510 P HA 0.266 nan 4.420 nan 0.000 0.276 510 P C -0.792 176.434 177.300 -0.123 0.000 1.261 510 P CA -0.345 62.674 63.100 -0.135 0.000 0.800 510 P CB 0.778 32.388 31.700 -0.149 0.000 1.066 511 S N -0.476 115.138 115.700 -0.143 0.000 2.739 511 S HA 0.630 5.101 4.470 0.000 0.000 0.306 511 S C -0.559 173.957 174.600 -0.140 0.000 1.115 511 S CA -0.767 57.363 58.200 -0.118 0.000 0.985 511 S CB 1.725 64.855 63.200 -0.117 0.000 1.133 511 S HN 0.521 nan 8.310 nan 0.000 0.541 512 K N 0.428 120.767 120.400 -0.102 0.000 2.426 512 K HA 0.405 4.725 4.320 0.000 0.000 0.254 512 K C -1.414 175.134 176.600 -0.086 0.000 0.936 512 K CA -0.515 55.715 56.287 -0.096 0.000 0.801 512 K CB 1.449 33.917 32.500 -0.053 0.000 1.139 512 K HN 0.727 nan 8.250 nan 0.000 0.424 513 K N 5.207 125.544 120.400 -0.105 0.000 2.235 513 K HA 0.312 4.632 4.320 0.000 0.000 0.266 513 K C -1.545 175.022 176.600 -0.054 0.000 0.980 513 K CA -0.803 55.432 56.287 -0.085 0.000 0.849 513 K CB 0.999 33.422 32.500 -0.128 0.000 1.098 513 K HN 0.459 nan 8.250 nan 0.000 0.445 514 L N 4.349 125.556 121.223 -0.026 0.000 2.319 514 L HA 0.518 4.858 4.340 0.000 0.000 0.281 514 L C -1.120 175.743 176.870 -0.011 0.000 1.005 514 L CA 0.178 55.031 54.840 0.021 0.000 0.828 514 L CB 1.288 43.426 42.059 0.132 0.000 1.227 514 L HN 0.832 nan 8.230 nan 0.000 0.415 515 D N 2.825 123.040 120.400 -0.309 0.000 3.057 515 D HA 0.517 5.158 4.640 0.000 0.000 0.328 515 D C -1.585 174.352 176.300 -0.605 0.000 1.317 515 D CA 0.012 53.738 54.000 -0.458 0.000 0.973 515 D CB 1.892 42.370 40.800 -0.537 0.000 1.424 515 D HN 0.256 nan 8.370 nan 0.000 0.569 516 F N -0.109 119.517 119.950 -0.541 0.000 2.662 516 F HA 0.697 5.224 4.527 0.000 0.000 0.312 516 F C -1.045 174.841 175.800 0.144 0.000 1.113 516 F CA -1.055 56.762 58.000 -0.306 0.000 0.951 516 F CB 0.990 39.405 39.000 -0.975 0.000 1.344 516 F HN 0.266 nan 8.300 nan 0.000 0.462 517 I N 0.011 120.898 120.570 0.529 0.000 2.892 517 I HA 0.688 4.858 4.170 0.000 0.000 0.306 517 I C -1.511 174.870 176.117 0.439 0.000 1.078 517 I CA -1.245 60.281 61.300 0.375 0.000 1.032 517 I CB 2.548 40.706 38.000 0.264 0.000 1.229 517 I HN 0.664 nan 8.210 nan 0.000 0.435 518 I N 4.771 125.525 120.570 0.306 0.000 2.339 518 I HA 0.407 4.577 4.170 0.000 0.000 0.290 518 I C -0.764 175.495 176.117 0.237 0.000 0.994 518 I CA -0.529 60.932 61.300 0.268 0.000 1.191 518 I CB 1.667 39.781 38.000 0.191 0.000 1.343 518 I HN 0.372 nan 8.210 nan 0.000 0.458 519 L N 6.726 128.154 121.223 0.343 0.000 2.325 519 L HA 0.419 4.759 4.340 0.000 0.000 0.281 519 L C 0.001 177.009 176.870 0.231 0.000 1.004 519 L CA -0.768 54.232 54.840 0.268 0.000 0.823 519 L CB 1.179 43.411 42.059 0.288 0.000 1.236 519 L HN 0.618 nan 8.230 nan 0.000 0.415 520 N N 3.822 122.593 118.700 0.118 0.000 2.669 520 N HA -0.251 4.489 4.740 0.000 0.000 0.266 520 N C 0.855 176.409 175.510 0.073 0.000 1.024 520 N CA 1.493 54.589 53.050 0.077 0.000 0.766 520 N CB -0.604 37.917 38.487 0.057 0.000 0.898 520 N HN 0.920 nan 8.380 nan 0.000 0.548 521 E N -2.993 117.244 120.200 0.063 0.000 3.870 521 E HA -0.289 4.061 4.350 0.000 0.000 0.329 521 E C -0.875 175.731 176.600 0.011 0.000 0.702 521 E CA 1.800 58.220 56.400 0.034 0.000 1.174 521 E CB -0.894 28.817 29.700 0.018 0.000 1.619 521 E HN 0.524 nan 8.360 nan 0.000 0.441 522 T N 0.755 115.326 114.554 0.029 0.000 2.859 522 T HA 0.372 4.722 4.350 0.000 0.000 0.281 522 T C -0.358 174.235 174.700 -0.180 0.000 1.005 522 T CA -0.553 61.478 62.100 -0.115 0.000 1.025 522 T CB 1.714 70.468 68.868 -0.190 0.000 0.977 522 T HN 0.156 nan 8.240 nan 0.000 0.458 523 K N 2.592 122.790 120.400 -0.337 0.000 2.258 523 K HA 0.435 4.755 4.320 0.000 0.000 0.284 523 K C -1.464 174.864 176.600 -0.454 0.000 1.051 523 K CA -0.370 55.727 56.287 -0.317 0.000 0.923 523 K CB 0.338 32.528 32.500 -0.515 0.000 1.046 523 K HN 0.448 nan 8.250 nan 0.000 0.474 524 F N 3.785 123.813 119.950 0.131 0.000 2.518 524 F HA 0.350 4.877 4.527 0.000 0.000 0.323 524 F C -0.694 175.264 175.800 0.263 0.000 1.129 524 F CA -0.774 57.337 58.000 0.184 0.000 0.920 524 F CB 0.942 40.066 39.000 0.207 0.000 1.160 524 F HN 0.495 nan 8.300 nan 0.000 0.440 525 W N 3.557 125.040 121.300 0.304 0.000 2.303 525 W HA 0.502 5.162 4.660 0.000 0.000 0.334 525 W C -0.569 176.205 176.519 0.424 0.000 1.197 525 W CA -0.580 56.963 57.345 0.330 0.000 1.262 525 W CB 0.474 30.042 29.460 0.180 0.000 1.153 525 W HN 0.438 nan 8.180 nan 0.000 0.596 526 Y N -0.599 120.070 120.300 0.615 0.000 2.625 526 Y HA 0.649 5.199 4.550 0.000 0.000 0.338 526 Y C -1.034 175.090 175.900 0.373 0.000 1.123 526 Y CA -1.926 56.511 58.100 0.563 0.000 1.046 526 Y CB 1.059 39.984 38.460 0.776 0.000 1.299 526 Y HN 0.575 nan 8.280 nan 0.000 0.464 527 Q N 2.147 122.213 119.800 0.444 0.000 2.421 527 Q HA 0.786 5.126 4.340 0.000 0.000 0.280 527 Q C -1.795 174.331 176.000 0.209 0.000 1.085 527 Q CA -1.213 54.722 55.803 0.219 0.000 0.807 527 Q CB 3.416 32.241 28.738 0.144 0.000 1.405 527 Q HN 0.853 nan 8.270 nan 0.000 0.419 528 M N 2.305 121.945 119.600 0.068 0.000 2.267 528 M HA 0.411 4.891 4.480 0.000 0.000 0.289 528 M C -1.314 174.909 176.300 -0.129 0.000 1.043 528 M CA -0.883 54.385 55.300 -0.052 0.000 0.928 528 M CB 2.190 34.713 32.600 -0.129 0.000 1.613 528 M HN 0.606 nan 8.290 nan 0.000 0.450 529 I N 5.149 125.643 120.570 -0.128 0.000 2.322 529 I HA 0.311 4.482 4.170 0.000 0.000 0.292 529 I C -0.326 175.642 176.117 -0.249 0.000 1.060 529 I CA -0.169 61.034 61.300 -0.161 0.000 1.309 529 I CB 0.089 38.014 38.000 -0.124 0.000 1.415 529 I HN 0.634 nan 8.210 nan 0.000 0.492 530 L N 8.943 129.967 121.223 -0.331 0.000 2.307 530 L HA 0.452 4.792 4.340 0.000 0.000 0.282 530 L C -1.978 174.703 176.870 -0.315 0.000 1.051 530 L CA -1.802 52.747 54.840 -0.485 0.000 0.804 530 L CB 1.318 42.906 42.059 -0.785 0.000 1.197 530 L HN 0.322 nan 8.230 nan 0.000 0.431 531 P HA 0.111 nan 4.420 nan 0.000 0.270 531 P C -2.605 174.649 177.300 -0.077 0.000 1.223 531 P CA -1.287 61.741 63.100 -0.121 0.000 0.785 531 P CB -0.343 31.340 31.700 -0.029 0.000 0.923 532 P HA -0.087 nan 4.420 nan 0.000 0.268 532 P C 0.090 177.329 177.300 -0.102 0.000 1.208 532 P CA 0.708 63.685 63.100 -0.206 0.000 0.777 532 P CB -0.188 31.340 31.700 -0.285 0.000 0.875 533 H N -1.637 117.472 119.070 0.065 0.000 2.741 533 H HA -0.204 4.352 4.556 0.000 0.000 0.305 533 H C 0.140 175.533 175.328 0.108 0.000 1.169 533 H CA 0.156 56.246 56.048 0.070 0.000 1.144 533 H CB -2.473 27.322 29.762 0.056 0.000 1.397 533 H HN 0.413 nan 8.280 nan 0.000 0.409 534 F N 2.526 122.472 119.950 -0.007 0.000 2.612 534 F HA 0.105 4.632 4.527 0.000 0.000 0.389 534 F C 0.558 176.374 175.800 0.027 0.000 1.055 534 F CA -0.075 57.878 58.000 -0.079 0.000 1.232 534 F CB 0.487 39.330 39.000 -0.261 0.000 1.044 534 F HN 0.164 nan 8.300 nan 0.000 0.560 535 D N 6.138 126.248 120.400 -0.484 0.000 2.462 535 D HA 0.118 4.759 4.640 0.000 0.000 0.245 535 D C 0.654 176.588 176.300 -0.611 0.000 1.122 535 D CA -0.433 53.320 54.000 -0.411 0.000 0.864 535 D CB 1.209 41.941 40.800 -0.112 0.000 1.098 535 D HN 0.725 nan 8.370 nan 0.000 0.541 536 K N 1.515 121.492 120.400 -0.704 0.000 2.442 536 K HA -0.094 4.226 4.320 0.000 0.000 0.198 536 K C 1.170 177.748 176.600 -0.037 0.000 1.044 536 K CA 0.971 57.046 56.287 -0.353 0.000 0.948 536 K CB 0.202 32.637 32.500 -0.108 0.000 0.762 536 K HN 0.333 nan 8.250 nan 0.000 0.472 537 S N -0.467 115.183 115.700 -0.083 0.000 2.593 537 S HA 0.112 4.582 4.470 0.000 0.000 0.217 537 S C 0.057 174.629 174.600 -0.047 0.000 0.966 537 S CA -0.334 57.844 58.200 -0.036 0.000 0.914 537 S CB 0.128 63.300 63.200 -0.047 0.000 0.776 537 S HN 0.112 nan 8.310 nan 0.000 0.523 538 K N 0.717 121.082 120.400 -0.059 0.000 2.295 538 K HA 0.523 4.843 4.320 0.000 0.000 0.239 538 K C -0.907 175.640 176.600 -0.089 0.000 0.991 538 K CA -0.838 55.361 56.287 -0.148 0.000 0.845 538 K CB 1.357 33.663 32.500 -0.324 0.000 1.197 538 K HN 0.007 nan 8.250 nan 0.000 0.441 539 K N 1.744 122.025 120.400 -0.198 0.000 2.235 539 K HA 0.331 4.651 4.320 0.000 0.000 0.266 539 K C -1.330 175.148 176.600 -0.204 0.000 0.980 539 K CA -0.568 55.675 56.287 -0.074 0.000 0.849 539 K CB 0.922 33.379 32.500 -0.071 0.000 1.098 539 K HN 0.374 nan 8.250 nan 0.000 0.445 540 Y N 2.581 122.916 120.300 0.058 0.000 2.468 540 Y HA 0.321 4.872 4.550 0.000 0.000 0.342 540 Y C -2.063 173.774 175.900 -0.105 0.000 1.021 540 Y CA -2.735 55.368 58.100 0.005 0.000 1.079 540 Y CB 1.039 39.560 38.460 0.102 0.000 1.226 540 Y HN 0.485 nan 8.280 nan 0.000 0.460 541 P HA 0.204 nan 4.420 nan 0.000 0.274 541 P C -1.105 176.035 177.300 -0.266 0.000 1.237 541 P CA -0.242 62.563 63.100 -0.492 0.000 0.793 541 P CB 1.737 32.706 31.700 -1.218 0.000 0.977 542 L N 2.083 123.198 121.223 -0.181 0.000 2.410 542 L HA 0.515 4.855 4.340 0.000 0.000 0.270 542 L C -1.322 175.722 176.870 0.290 0.000 0.983 542 L CA -1.206 53.675 54.840 0.067 0.000 0.822 542 L CB 1.840 43.945 42.059 0.076 0.000 1.285 542 L HN 0.156 nan 8.230 nan 0.000 0.409 543 L N 5.453 126.862 121.223 0.311 0.000 2.298 543 L HA 0.488 4.828 4.340 0.000 0.000 0.284 543 L C -1.203 175.884 176.870 0.363 0.000 1.013 543 L CA -0.317 54.762 54.840 0.398 0.000 0.824 543 L CB 1.536 43.788 42.059 0.321 0.000 1.221 543 L HN 0.635 nan 8.230 nan 0.000 0.418 544 L N 5.283 126.763 121.223 0.427 0.000 2.295 544 L HA 0.370 4.710 4.340 0.000 0.000 0.288 544 L C -0.459 176.630 176.870 0.364 0.000 1.079 544 L CA 0.207 55.283 54.840 0.394 0.000 0.830 544 L CB 0.355 42.688 42.059 0.456 0.000 1.200 544 L HN 0.635 nan 8.230 nan 0.000 0.438 545 D N 4.454 125.050 120.400 0.327 0.000 2.339 545 D HA 0.211 4.851 4.640 0.000 0.000 0.241 545 D C -0.901 175.471 176.300 0.120 0.000 1.183 545 D CA 0.133 54.257 54.000 0.206 0.000 0.859 545 D CB 1.145 42.131 40.800 0.311 0.000 1.067 545 D HN 0.334 nan 8.370 nan 0.000 0.484 546 V N 5.346 125.260 119.914 0.000 0.000 2.769 546 V HA 0.468 4.588 4.120 0.000 0.000 0.312 546 V C -0.975 175.190 176.094 0.118 0.000 1.061 546 V CA -0.441 61.919 62.300 0.100 0.000 0.931 546 V CB 1.900 33.788 31.823 0.108 0.000 1.010 546 V HN 0.666 nan 8.190 nan 0.000 0.433 547 Y N 4.819 125.177 120.300 0.097 0.000 3.105 547 Y HA 0.548 5.099 4.550 0.000 0.000 0.216 547 Y C 1.561 177.577 175.900 0.193 0.000 0.943 547 Y CA 1.097 59.279 58.100 0.136 0.000 1.535 547 Y CB 0.304 38.827 38.460 0.104 0.000 1.475 547 Y HN 1.085 nan 8.280 nan 0.000 0.435 548 A N 1.054 123.944 122.820 0.118 0.000 2.861 548 A HA -0.173 4.147 4.320 0.000 0.000 0.261 548 A C 0.871 178.262 177.584 -0.322 0.000 1.351 548 A CA 0.911 52.959 52.037 0.019 0.000 0.904 548 A CB -2.484 16.590 19.000 0.122 0.000 1.076 548 A HN 0.933 nan 8.150 nan 0.000 0.729 549 G N -0.965 107.413 108.800 -0.702 0.000 2.634 549 G HA2 0.476 4.436 3.960 0.000 0.000 0.255 549 G HA3 0.476 4.436 3.960 0.000 0.000 0.255 549 G C -2.253 172.347 174.900 -0.500 0.000 1.205 549 G CA -0.794 43.562 45.100 -1.240 0.000 0.884 549 G HN 0.306 nan 8.290 nan 0.000 0.549 550 P HA 0.162 nan 4.420 nan 0.000 0.264 550 P C 0.315 177.474 177.300 -0.235 0.000 1.193 550 P CA 0.034 62.865 63.100 -0.448 0.000 0.763 550 P CB 0.425 31.451 31.700 -1.123 0.000 0.810 551 C N 1.488 120.717 119.300 -0.118 0.000 4.417 551 C HA -0.149 4.311 4.460 0.000 0.000 0.284 551 C C 1.110 176.105 174.990 0.008 0.000 1.379 551 C CA 0.805 59.727 59.018 -0.160 0.000 1.918 551 C CB -3.346 24.176 27.740 -0.364 0.000 1.280 551 C HN 0.748 nan 8.230 nan 0.000 0.783 552 S N -0.384 115.384 115.700 0.114 0.000 2.632 552 S HA 0.590 5.060 4.470 0.000 0.000 0.267 552 S C -0.628 174.117 174.600 0.243 0.000 1.276 552 S CA -0.143 58.213 58.200 0.259 0.000 0.998 552 S CB 1.865 65.298 63.200 0.387 0.000 0.953 552 S HN 0.698 nan 8.310 nan 0.000 0.547 553 Q N 0.001 119.974 119.800 0.289 0.000 2.309 553 Q HA 0.338 4.678 4.340 0.000 0.000 0.254 553 Q C -0.811 175.319 176.000 0.215 0.000 0.938 553 Q CA -0.559 55.412 55.803 0.281 0.000 0.789 553 Q CB 0.992 29.967 28.738 0.394 0.000 1.313 553 Q HN 0.703 nan 8.270 nan 0.000 0.438 554 K N 0.982 121.506 120.400 0.206 0.000 2.374 554 K HA 0.340 4.660 4.320 0.000 0.000 0.202 554 K C -0.445 176.264 176.600 0.183 0.000 1.040 554 K CA 0.250 56.648 56.287 0.185 0.000 1.085 554 K CB 1.599 34.231 32.500 0.220 0.000 0.873 554 K HN 0.483 nan 8.250 nan 0.000 0.539 555 A N 2.714 125.654 122.820 0.199 0.000 2.316 555 A HA 0.444 4.764 4.320 0.000 0.000 0.324 555 A C -0.821 176.847 177.584 0.140 0.000 1.375 555 A CA -0.530 51.630 52.037 0.206 0.000 0.882 555 A CB 0.168 19.353 19.000 0.309 0.000 1.152 555 A HN 0.233 nan 8.150 nan 0.000 0.512 556 D N -0.110 120.347 120.400 0.094 0.000 2.812 556 D HA 0.429 5.069 4.640 0.000 0.000 0.318 556 D C 0.377 176.698 176.300 0.035 0.000 1.234 556 D CA 0.292 54.332 54.000 0.067 0.000 0.989 556 D CB 0.298 41.143 40.800 0.076 0.000 1.442 556 D HN 0.163 nan 8.370 nan 0.000 0.537 557 T N -2.260 112.326 114.554 0.055 0.000 3.186 557 T HA 0.346 4.696 4.350 0.000 0.000 0.257 557 T C 0.325 174.993 174.700 -0.054 0.000 1.029 557 T CA -0.394 61.729 62.100 0.039 0.000 0.916 557 T CB -0.700 68.233 68.868 0.109 0.000 1.041 557 T HN 0.261 nan 8.240 nan 0.000 0.562 558 V N 2.475 122.262 119.914 -0.212 0.000 2.614 558 V HA 0.370 4.490 4.120 0.000 0.000 0.291 558 V C 0.021 176.055 176.094 -0.100 0.000 1.049 558 V CA -1.011 61.119 62.300 -0.283 0.000 1.038 558 V CB 0.354 31.882 31.823 -0.493 0.000 0.980 558 V HN 0.567 nan 8.190 nan 0.000 0.481 559 F N 6.311 126.163 119.950 -0.164 0.000 2.420 559 F HA 0.582 5.110 4.527 0.000 0.000 0.352 559 F C 0.451 176.194 175.800 -0.095 0.000 1.108 559 F CA -0.224 57.707 58.000 -0.116 0.000 1.162 559 F CB 0.288 39.228 39.000 -0.101 0.000 1.118 559 F HN 0.430 nan 8.300 nan 0.000 0.510 560 R N 6.432 126.409 120.500 -0.872 0.000 2.725 560 R HA 0.576 4.916 4.340 0.000 0.000 0.277 560 R C -1.673 174.174 176.300 -0.755 0.000 0.987 560 R CA -1.111 54.623 56.100 -0.610 0.000 0.901 560 R CB 2.209 32.337 30.300 -0.286 0.000 1.207 560 R HN 0.654 nan 8.270 nan 0.000 0.463 561 L N 3.813 124.792 121.223 -0.406 0.000 2.324 561 L HA 0.409 4.749 4.340 0.000 0.000 0.274 561 L C -0.753 176.093 176.870 -0.040 0.000 1.012 561 L CA -0.653 54.019 54.840 -0.280 0.000 0.859 561 L CB 0.688 42.722 42.059 -0.041 0.000 1.224 561 L HN 0.773 nan 8.230 nan 0.000 0.429 562 N N 0.150 118.751 118.700 -0.165 0.000 3.387 562 N HA 0.178 4.918 4.740 0.000 0.000 0.322 562 N C 0.193 175.344 175.510 -0.597 0.000 1.588 562 N CA -0.887 51.946 53.050 -0.361 0.000 0.778 562 N CB 0.166 38.585 38.487 -0.114 0.000 1.883 562 N HN 0.281 nan 8.380 nan 0.000 0.628 563 W N 0.670 121.383 121.300 -0.978 0.000 2.338 563 W HA 0.100 4.760 4.660 0.000 0.000 0.304 563 W C 2.080 178.548 176.519 -0.085 0.000 1.212 563 W CA 2.960 59.984 57.345 -0.535 0.000 1.264 563 W CB -1.064 28.238 29.460 -0.263 0.000 1.142 563 W HN 0.705 nan 8.180 nan 0.000 0.512 564 A N -0.594 122.216 122.820 -0.017 0.000 1.940 564 A HA -0.223 4.097 4.320 0.000 0.000 0.219 564 A C 1.953 179.444 177.584 -0.154 0.000 1.176 564 A CA 2.547 54.510 52.037 -0.123 0.000 0.631 564 A CB -1.313 17.694 19.000 0.011 0.000 0.814 564 A HN 0.298 nan 8.150 nan 0.000 0.446 565 T N -1.397 113.082 114.554 -0.126 0.000 2.720 565 T HA -0.202 4.148 4.350 0.000 0.000 0.268 565 T C 1.763 176.494 174.700 0.052 0.000 1.037 565 T CA 1.738 63.744 62.100 -0.157 0.000 1.144 565 T CB -0.454 68.166 68.868 -0.413 0.000 0.864 565 T HN 0.731 nan 8.240 nan 0.000 0.444 566 Y N 1.557 121.936 120.300 0.131 0.000 2.220 566 Y HA 0.054 4.604 4.550 0.000 0.000 0.291 566 Y C 1.971 177.863 175.900 -0.013 0.000 1.129 566 Y CA 0.878 59.089 58.100 0.185 0.000 1.161 566 Y CB -0.480 38.079 38.460 0.165 0.000 0.997 566 Y HN 0.077 nan 8.280 nan 0.000 0.522 567 L N 0.415 121.205 121.223 -0.721 0.000 2.083 567 L HA -0.208 4.132 4.340 0.000 0.000 0.209 567 L C 2.804 179.424 176.870 -0.416 0.000 1.083 567 L CA 1.266 55.628 54.840 -0.796 0.000 0.752 567 L CB -0.846 40.794 42.059 -0.698 0.000 0.899 567 L HN 0.458 nan 8.230 nan 0.000 0.433 568 A N -1.313 121.346 122.820 -0.269 0.000 1.878 568 A HA -0.149 4.171 4.320 0.000 0.000 0.213 568 A C 2.504 180.021 177.584 -0.110 0.000 1.192 568 A CA 1.532 53.468 52.037 -0.168 0.000 0.619 568 A CB -0.520 18.381 19.000 -0.165 0.000 0.837 568 A HN 0.307 nan 8.150 nan 0.000 0.446 569 S N -0.973 114.681 115.700 -0.077 0.000 2.355 569 S HA -0.120 4.350 4.470 0.000 0.000 0.222 569 S C 2.003 176.620 174.600 0.028 0.000 1.031 569 S CA 2.316 60.519 58.200 0.005 0.000 0.993 569 S CB -0.391 62.872 63.200 0.104 0.000 0.859 569 S HN 0.571 nan 8.310 nan 0.000 0.453 570 T N 1.225 115.774 114.554 -0.009 0.000 2.983 570 T HA 0.169 4.519 4.350 0.000 0.000 0.250 570 T C 1.382 176.059 174.700 -0.038 0.000 1.037 570 T CA 0.588 62.703 62.100 0.025 0.000 1.142 570 T CB -0.097 68.870 68.868 0.165 0.000 0.876 570 T HN 0.313 nan 8.240 nan 0.000 0.455 571 E N 1.244 121.334 120.200 -0.183 0.000 2.479 571 E HA 0.160 4.510 4.350 0.000 0.000 0.193 571 E C -0.004 176.584 176.600 -0.020 0.000 1.049 571 E CA -0.061 56.276 56.400 -0.105 0.000 0.870 571 E CB -0.314 29.269 29.700 -0.196 0.000 0.944 571 E HN 0.532 nan 8.360 nan 0.000 0.492 572 N N 0.563 119.261 118.700 -0.004 0.000 2.740 572 N HA -0.190 4.551 4.740 0.000 0.000 0.248 572 N C -0.820 174.768 175.510 0.131 0.000 1.062 572 N CA 0.282 53.395 53.050 0.106 0.000 0.704 572 N CB -1.295 37.302 38.487 0.184 0.000 0.968 572 N HN 0.209 nan 8.380 nan 0.000 0.547 573 I N 0.860 121.434 120.570 0.007 0.000 2.392 573 I HA 0.341 4.511 4.170 0.000 0.000 0.295 573 I C 0.588 176.678 176.117 -0.046 0.000 0.985 573 I CA -0.801 60.505 61.300 0.011 0.000 1.221 573 I CB 1.275 39.291 38.000 0.028 0.000 1.366 573 I HN 0.038 nan 8.210 nan 0.000 0.467 574 I N 6.549 127.100 120.570 -0.031 0.000 2.352 574 I HA 0.161 4.331 4.170 0.000 0.000 0.290 574 I C -0.409 175.688 176.117 -0.033 0.000 1.036 574 I CA -0.429 60.812 61.300 -0.098 0.000 1.336 574 I CB 1.034 38.977 38.000 -0.095 0.000 1.407 574 I HN 0.202 nan 8.210 nan 0.000 0.497 575 V N 6.888 126.771 119.914 -0.052 0.000 2.328 575 V HA 0.577 4.697 4.120 0.000 0.000 0.278 575 V C 0.403 176.516 176.094 0.031 0.000 1.021 575 V CA -0.433 61.885 62.300 0.030 0.000 0.838 575 V CB 1.056 32.894 31.823 0.025 0.000 0.999 575 V HN 0.832 nan 8.190 nan 0.000 0.447 576 A N 4.057 126.918 122.820 0.069 0.000 2.337 576 A HA 0.944 5.264 4.320 0.000 0.000 0.331 576 A C -0.128 177.584 177.584 0.214 0.000 1.137 576 A CA -0.502 51.568 52.037 0.054 0.000 0.807 576 A CB 1.652 20.527 19.000 -0.209 0.000 1.250 576 A HN 0.678 nan 8.150 nan 0.000 0.468 577 S N -0.223 115.652 115.700 0.291 0.000 2.549 577 S HA 0.740 5.211 4.470 0.000 0.000 0.280 577 S C -1.505 173.433 174.600 0.564 0.000 1.109 577 S CA -0.299 58.126 58.200 0.374 0.000 0.905 577 S CB 1.317 64.687 63.200 0.283 0.000 1.081 577 S HN 0.747 nan 8.310 nan 0.000 0.477 578 F N 1.833 122.008 119.950 0.375 0.000 2.569 578 F HA 0.496 5.023 4.527 0.000 0.000 0.312 578 F C -1.504 174.499 175.800 0.338 0.000 1.109 578 F CA -0.839 57.413 58.000 0.420 0.000 0.919 578 F CB 1.544 40.781 39.000 0.394 0.000 1.211 578 F HN 0.393 nan 8.300 nan 0.000 0.446 579 D N 4.451 124.640 120.400 -0.351 0.000 2.473 579 D HA 0.378 5.018 4.640 0.000 0.000 0.226 579 D C 0.337 176.321 176.300 -0.527 0.000 1.089 579 D CA 0.107 53.974 54.000 -0.222 0.000 0.883 579 D CB 1.459 42.296 40.800 0.063 0.000 1.029 579 D HN 0.766 nan 8.370 nan 0.000 0.517 580 G N 1.240 109.798 108.800 -0.403 0.000 2.782 580 G HA2 0.295 4.255 3.960 0.000 0.000 0.201 580 G HA3 0.295 4.255 3.960 0.000 0.000 0.201 580 G C 0.133 175.014 174.900 -0.032 0.000 1.374 580 G CA -0.718 44.160 45.100 -0.371 0.000 1.039 580 G HN 0.281 nan 8.290 nan 0.000 0.576 581 R N -0.637 119.814 120.500 -0.081 0.000 2.585 581 R HA 0.359 4.699 4.340 0.000 0.000 0.275 581 R C 1.241 177.624 176.300 0.138 0.000 1.018 581 R CA 1.480 57.657 56.100 0.128 0.000 1.072 581 R CB 0.420 30.775 30.300 0.092 0.000 0.953 581 R HN 1.065 nan 8.270 nan 0.000 0.419 582 G N 1.138 110.023 108.800 0.142 0.000 2.234 582 G HA2 -0.328 3.632 3.960 0.000 0.000 0.235 582 G HA3 -0.328 3.632 3.960 0.000 0.000 0.235 582 G C 0.153 175.083 174.900 0.049 0.000 0.997 582 G CA 0.163 45.325 45.100 0.103 0.000 0.623 582 G HN 0.729 nan 8.290 nan 0.000 0.514 583 S N 0.370 116.110 115.700 0.066 0.000 2.600 583 S HA 0.655 5.125 4.470 0.000 0.000 0.265 583 S C 0.894 175.480 174.600 -0.022 0.000 1.325 583 S CA 0.519 58.748 58.200 0.048 0.000 1.002 583 S CB 1.767 65.025 63.200 0.097 0.000 0.921 583 S HN 1.662 nan 8.310 nan 0.000 0.554 584 G N -0.764 107.972 108.800 -0.107 0.000 2.613 584 G HA2 0.492 4.452 3.960 0.000 0.000 0.303 584 G HA3 0.492 4.452 3.960 0.000 0.000 0.303 584 G C -0.918 173.816 174.900 -0.277 0.000 1.312 584 G CA -1.011 43.866 45.100 -0.371 0.000 1.036 584 G HN 0.943 nan 8.290 nan 0.000 0.513 585 Y N -2.346 117.966 120.300 0.020 0.000 4.604 585 Y HA -0.222 4.328 4.550 0.000 0.000 0.230 585 Y C 1.442 177.356 175.900 0.024 0.000 1.066 585 Y CA 1.122 59.236 58.100 0.023 0.000 1.990 585 Y CB -2.199 36.288 38.460 0.045 0.000 1.619 585 Y HN 0.542 nan 8.280 nan 0.000 0.649 586 Q N -0.078 119.749 119.800 0.045 0.000 2.112 586 Q HA 0.509 4.849 4.340 0.000 0.000 0.222 586 Q C 0.952 176.870 176.000 -0.136 0.000 0.798 586 Q CA 0.216 56.055 55.803 0.061 0.000 1.060 586 Q CB 1.652 30.417 28.738 0.044 0.000 1.184 586 Q HN 0.577 nan 8.270 nan 0.000 0.475 587 G N 0.804 109.391 108.800 -0.355 0.000 2.663 587 G HA2 -0.173 3.787 3.960 0.000 0.000 0.686 587 G HA3 -0.173 3.787 3.960 0.000 0.000 0.686 587 G C -0.501 174.034 174.900 -0.610 0.000 1.246 587 G CA -0.578 44.015 45.100 -0.845 0.000 0.795 587 G HN 0.099 nan 8.290 nan 0.000 0.627 588 D N 0.040 120.032 120.400 -0.679 0.000 2.219 588 D HA -0.065 4.575 4.640 0.000 0.000 0.205 588 D C 2.198 178.222 176.300 -0.459 0.000 0.970 588 D CA 1.267 54.823 54.000 -0.741 0.000 0.851 588 D CB 0.044 40.306 40.800 -0.896 0.000 0.943 588 D HN 0.622 nan 8.370 nan 0.000 0.488 589 K N 0.608 120.792 120.400 -0.359 0.000 2.063 589 K HA -0.136 4.184 4.320 0.000 0.000 0.208 589 K C 2.020 178.556 176.600 -0.106 0.000 1.048 589 K CA 0.988 57.161 56.287 -0.190 0.000 0.928 589 K CB -0.028 32.370 32.500 -0.170 0.000 0.713 589 K HN 0.118 nan 8.250 nan 0.000 0.442 590 I N 0.154 120.647 120.570 -0.129 0.000 2.339 590 I HA -0.186 3.984 4.170 0.000 0.000 0.245 590 I C 2.626 178.748 176.117 0.008 0.000 1.096 590 I CA 0.668 61.967 61.300 -0.000 0.000 1.408 590 I CB -0.107 37.900 38.000 0.012 0.000 1.092 590 I HN 0.277 nan 8.210 nan 0.000 0.423 591 M N 0.254 119.787 119.600 -0.112 0.000 2.086 591 M HA -0.237 4.243 4.480 0.000 0.000 0.261 591 M C 1.983 178.327 176.300 0.073 0.000 1.067 591 M CA 2.022 57.280 55.300 -0.069 0.000 1.116 591 M CB -0.326 32.137 32.600 -0.228 0.000 1.348 591 M HN 0.254 nan 8.290 nan 0.000 0.407 592 H N -0.670 118.300 119.070 -0.167 0.000 2.556 592 H HA 0.141 4.697 4.556 0.000 0.000 0.268 592 H C 1.875 177.220 175.328 0.027 0.000 0.996 592 H CA 0.109 56.063 56.048 -0.157 0.000 1.157 592 H CB 0.122 29.705 29.762 -0.299 0.000 1.355 592 H HN 0.542 nan 8.280 nan 0.000 0.597 593 A N 1.573 124.505 122.820 0.188 0.000 1.978 593 A HA -0.170 4.150 4.320 0.000 0.000 0.220 593 A C 1.896 179.673 177.584 0.322 0.000 1.170 593 A CA 1.412 53.594 52.037 0.241 0.000 0.636 593 A CB -0.486 18.645 19.000 0.218 0.000 0.810 593 A HN 0.437 nan 8.150 nan 0.000 0.448 594 I N -2.345 118.377 120.570 0.254 0.000 3.861 594 I HA 0.215 4.385 4.170 0.000 0.000 0.329 594 I C 0.177 176.358 176.117 0.107 0.000 1.321 594 I CA -1.326 60.065 61.300 0.151 0.000 1.126 594 I CB -1.478 36.593 38.000 0.118 0.000 1.018 594 I HN 0.103 nan 8.210 nan 0.000 0.407 595 N N 2.562 121.369 118.700 0.179 0.000 2.411 595 N HA -0.017 4.723 4.740 0.000 0.000 0.261 595 N C 0.656 176.180 175.510 0.024 0.000 1.248 595 N CA 0.475 53.631 53.050 0.177 0.000 0.885 595 N CB 0.113 38.661 38.487 0.101 0.000 1.062 595 N HN 0.315 nan 8.380 nan 0.000 0.471 596 R N 0.085 120.585 120.500 -0.000 0.000 4.016 596 R HA -0.228 4.112 4.340 0.000 0.000 0.385 596 R C -0.366 175.811 176.300 -0.204 0.000 1.158 596 R CA 0.909 56.968 56.100 -0.069 0.000 1.117 596 R CB -1.007 29.265 30.300 -0.045 0.000 1.635 596 R HN 0.475 nan 8.270 nan 0.000 0.560 597 R N 0.739 121.099 120.500 -0.233 0.000 2.772 597 R HA 0.354 4.694 4.340 0.000 0.000 0.358 597 R C -0.453 175.812 176.300 -0.058 0.000 1.143 597 R CA -0.219 55.597 56.100 -0.474 0.000 1.153 597 R CB 0.500 30.491 30.300 -0.516 0.000 1.329 597 R HN 0.089 nan 8.270 nan 0.000 0.615 598 L N -0.377 120.904 121.223 0.098 0.000 2.483 598 L HA 0.220 4.560 4.340 0.000 0.000 0.276 598 L C 1.291 178.390 176.870 0.381 0.000 1.213 598 L CA 0.863 55.773 54.840 0.116 0.000 0.843 598 L CB 0.519 42.397 42.059 -0.300 0.000 1.107 598 L HN 0.696 nan 8.230 nan 0.000 0.487 599 G N 0.925 109.984 108.800 0.432 0.000 2.147 599 G HA2 -0.287 3.673 3.960 0.000 0.000 0.244 599 G HA3 -0.287 3.673 3.960 0.000 0.000 0.244 599 G C 0.448 175.438 174.900 0.149 0.000 1.005 599 G CA 0.578 45.878 45.100 0.334 0.000 0.713 599 G HN 0.849 nan 8.290 nan 0.000 0.515 600 T N -3.699 110.910 114.554 0.092 0.000 3.409 600 T HA 0.410 4.760 4.350 0.000 0.000 0.188 600 T C 1.765 176.502 174.700 0.061 0.000 0.929 600 T CA 0.714 62.794 62.100 -0.034 0.000 1.184 600 T CB -0.084 68.584 68.868 -0.334 0.000 1.570 600 T HN 0.125 nan 8.240 nan 0.000 0.367 601 F N 3.105 123.090 119.950 0.058 0.000 2.171 601 F HA -0.039 4.488 4.527 0.000 0.000 0.300 601 F C 3.013 178.838 175.800 0.041 0.000 1.090 601 F CA 1.111 59.132 58.000 0.036 0.000 1.293 601 F CB -0.170 38.848 39.000 0.030 0.000 1.013 601 F HN 0.459 nan 8.300 nan 0.000 0.486 602 E N 0.904 121.254 120.200 0.250 0.000 2.150 602 E HA -0.135 4.216 4.350 0.000 0.000 0.193 602 E C 2.095 178.791 176.600 0.160 0.000 0.985 602 E CA 1.371 57.884 56.400 0.188 0.000 0.814 602 E CB -0.899 28.916 29.700 0.192 0.000 0.752 602 E HN 0.314 nan 8.360 nan 0.000 0.466 603 V N 1.827 121.819 119.914 0.129 0.000 2.323 603 V HA -0.196 3.924 4.120 0.000 0.000 0.244 603 V C 2.332 178.467 176.094 0.068 0.000 1.041 603 V CA 2.056 64.390 62.300 0.057 0.000 1.025 603 V CB -0.526 31.288 31.823 -0.016 0.000 0.656 603 V HN 0.227 nan 8.190 nan 0.000 0.451 604 E N 0.190 120.451 120.200 0.102 0.000 2.077 604 E HA -0.246 4.104 4.350 0.000 0.000 0.193 604 E C 1.894 178.530 176.600 0.061 0.000 0.989 604 E CA 1.543 57.998 56.400 0.092 0.000 0.800 604 E CB -0.233 29.558 29.700 0.152 0.000 0.746 604 E HN 0.563 nan 8.360 nan 0.000 0.452 605 D N 0.462 120.910 120.400 0.080 0.000 2.178 605 D HA -0.128 4.512 4.640 0.000 0.000 0.202 605 D C 1.987 178.336 176.300 0.081 0.000 0.974 605 D CA 0.766 54.802 54.000 0.061 0.000 0.841 605 D CB -0.096 40.755 40.800 0.086 0.000 0.953 605 D HN 0.102 nan 8.370 nan 0.000 0.478 606 Q N 0.047 119.933 119.800 0.143 0.000 2.123 606 Q HA -0.007 4.334 4.340 0.000 0.000 0.199 606 Q C 2.533 178.592 176.000 0.100 0.000 0.966 606 Q CA 0.467 56.366 55.803 0.159 0.000 0.845 606 Q CB -0.022 28.813 28.738 0.162 0.000 0.907 606 Q HN 0.427 nan 8.270 nan 0.000 0.439 607 I N 0.698 121.330 120.570 0.103 0.000 2.252 607 I HA -0.254 3.916 4.170 0.000 0.000 0.245 607 I C 2.405 178.492 176.117 -0.050 0.000 1.102 607 I CA 1.165 62.558 61.300 0.154 0.000 1.385 607 I CB -0.215 37.861 38.000 0.127 0.000 1.064 607 I HN 0.148 nan 8.210 nan 0.000 0.414 608 E N 1.680 121.801 120.200 -0.131 0.000 2.077 608 E HA -0.213 4.137 4.350 0.000 0.000 0.193 608 E C 2.098 178.418 176.600 -0.467 0.000 0.989 608 E CA 1.795 58.050 56.400 -0.242 0.000 0.800 608 E CB -0.190 29.387 29.700 -0.206 0.000 0.746 608 E HN 0.409 nan 8.360 nan 0.000 0.452 609 A N 0.757 123.164 122.820 -0.689 0.000 1.902 609 A HA -0.039 4.282 4.320 0.000 0.000 0.217 609 A C 2.458 179.240 177.584 -1.337 0.000 1.181 609 A CA 2.186 53.457 52.037 -1.276 0.000 0.623 609 A CB -1.050 16.977 19.000 -1.622 0.000 0.818 609 A HN 0.403 nan 8.150 nan 0.000 0.443 610 A N -0.425 122.047 122.820 -0.579 0.000 1.898 610 A HA -0.136 4.184 4.320 0.000 0.000 0.216 610 A C 2.238 179.618 177.584 -0.339 0.000 1.181 610 A CA 1.649 53.528 52.037 -0.263 0.000 0.620 610 A CB -0.495 18.476 19.000 -0.049 0.000 0.819 610 A HN 0.554 nan 8.150 nan 0.000 0.442 611 R N -0.454 119.838 120.500 -0.348 0.000 2.105 611 R HA -0.178 4.162 4.340 0.000 0.000 0.239 611 R C 2.246 178.375 176.300 -0.285 0.000 1.135 611 R CA 1.897 57.830 56.100 -0.280 0.000 0.967 611 R CB -0.260 29.906 30.300 -0.224 0.000 0.861 611 R HN 0.678 nan 8.270 nan 0.000 0.442 612 Q N -0.941 118.613 119.800 -0.410 0.000 2.187 612 Q HA -0.092 4.248 4.340 0.000 0.000 0.199 612 Q C 1.760 177.596 176.000 -0.272 0.000 0.957 612 Q CA 0.985 56.570 55.803 -0.364 0.000 0.857 612 Q CB 0.089 28.563 28.738 -0.441 0.000 0.929 612 Q HN 0.308 nan 8.270 nan 0.000 0.453 613 F N 0.585 120.375 119.950 -0.267 0.000 2.234 613 F HA -0.144 4.384 4.527 0.000 0.000 0.299 613 F C 2.698 178.339 175.800 -0.265 0.000 1.087 613 F CA 1.226 59.061 58.000 -0.275 0.000 1.340 613 F CB -1.043 37.825 39.000 -0.221 0.000 1.031 613 F HN 0.063 nan 8.300 nan 0.000 0.500 614 S N -0.095 115.569 115.700 -0.060 0.000 2.423 614 S HA -0.163 4.307 4.470 0.000 0.000 0.231 614 S C 1.716 176.233 174.600 -0.137 0.000 1.014 614 S CA 0.870 59.003 58.200 -0.111 0.000 0.965 614 S CB -0.543 62.572 63.200 -0.142 0.000 0.785 614 S HN 0.404 nan 8.310 nan 0.000 0.495 615 K N 0.299 120.611 120.400 -0.145 0.000 2.459 615 K HA 0.267 4.587 4.320 0.000 0.000 0.193 615 K C 0.319 176.822 176.600 -0.161 0.000 1.030 615 K CA 0.114 56.319 56.287 -0.136 0.000 1.026 615 K CB -0.120 32.307 32.500 -0.122 0.000 0.809 615 K HN 0.479 nan 8.250 nan 0.000 0.504 616 M N -0.279 119.178 119.600 -0.237 0.000 2.242 616 M HA 0.056 4.536 4.480 0.000 0.000 0.344 616 M C 1.580 177.654 176.300 -0.378 0.000 1.140 616 M CA -0.046 55.031 55.300 -0.373 0.000 1.160 616 M CB 0.998 33.177 32.600 -0.702 0.000 1.491 616 M HN 0.140 nan 8.290 nan 0.000 0.459 617 G N 1.696 110.333 108.800 -0.272 0.000 2.448 617 G HA2 -0.172 3.788 3.960 0.000 0.000 0.219 617 G HA3 -0.172 3.788 3.960 0.000 0.000 0.219 617 G C 0.831 175.705 174.900 -0.043 0.000 1.127 617 G CA 0.559 45.590 45.100 -0.114 0.000 0.766 617 G HN 0.795 nan 8.290 nan 0.000 0.552 618 F N 0.101 120.116 119.950 0.109 0.000 2.773 618 F HA 0.568 5.096 4.527 0.000 0.000 0.304 618 F C -0.095 175.844 175.800 0.231 0.000 1.129 618 F CA -1.304 56.813 58.000 0.196 0.000 1.378 618 F CB -0.328 38.867 39.000 0.326 0.000 1.095 618 F HN -0.178 nan 8.300 nan 0.000 0.565 619 V N 1.624 121.528 119.914 -0.016 0.000 2.417 619 V HA 0.170 4.290 4.120 0.000 0.000 0.291 619 V C -0.617 175.463 176.094 -0.023 0.000 1.024 619 V CA -0.896 61.418 62.300 0.023 0.000 0.861 619 V CB 1.429 33.198 31.823 -0.090 0.000 0.985 619 V HN 0.044 nan 8.190 nan 0.000 0.436 620 D N 4.451 124.838 120.400 -0.020 0.000 2.383 620 D HA 0.010 4.650 4.640 0.000 0.000 0.245 620 D C 1.429 177.682 176.300 -0.078 0.000 1.263 620 D CA -0.154 53.806 54.000 -0.066 0.000 0.936 620 D CB 0.542 41.281 40.800 -0.102 0.000 1.053 620 D HN 0.646 nan 8.370 nan 0.000 0.507 621 N N 3.806 122.461 118.700 -0.075 0.000 2.430 621 N HA -0.217 4.523 4.740 0.000 0.000 0.186 621 N C 0.718 176.186 175.510 -0.070 0.000 1.032 621 N CA 0.922 53.922 53.050 -0.084 0.000 0.893 621 N CB -0.044 38.389 38.487 -0.089 0.000 0.957 621 N HN 0.404 nan 8.380 nan 0.000 0.442 622 K N -0.238 120.128 120.400 -0.056 0.000 2.418 622 K HA 0.144 4.464 4.320 0.000 0.000 0.195 622 K C 0.300 176.899 176.600 -0.002 0.000 1.035 622 K CA 0.262 56.531 56.287 -0.029 0.000 1.003 622 K CB 0.387 32.871 32.500 -0.027 0.000 0.793 622 K HN 0.165 nan 8.250 nan 0.000 0.494 623 R N 1.223 121.697 120.500 -0.043 0.000 2.651 623 R HA 0.364 4.704 4.340 0.000 0.000 0.282 623 R C -1.002 175.281 176.300 -0.028 0.000 1.565 623 R CA -0.127 55.949 56.100 -0.039 0.000 1.661 623 R CB 0.656 30.773 30.300 -0.305 0.000 1.189 623 R HN -0.012 nan 8.270 nan 0.000 0.621 624 I N 1.251 121.921 120.570 0.167 0.000 2.436 624 I HA 0.554 4.724 4.170 0.000 0.000 0.289 624 I C -0.084 176.311 176.117 0.463 0.000 1.010 624 I CA -0.717 60.720 61.300 0.228 0.000 1.098 624 I CB 1.974 39.972 38.000 -0.003 0.000 1.266 624 I HN 0.375 nan 8.210 nan 0.000 0.434 625 A N 6.974 130.161 122.820 0.610 0.000 2.387 625 A HA 0.932 5.252 4.320 0.000 0.000 0.298 625 A C -1.153 176.768 177.584 0.563 0.000 1.165 625 A CA -0.660 51.708 52.037 0.553 0.000 0.814 625 A CB 2.073 21.280 19.000 0.345 0.000 1.357 625 A HN 0.716 nan 8.150 nan 0.000 0.443 626 I N 0.208 121.026 120.570 0.413 0.000 2.752 626 I HA 0.678 4.848 4.170 0.000 0.000 0.295 626 I C -2.002 174.356 176.117 0.402 0.000 1.219 626 I CA -0.534 60.946 61.300 0.299 0.000 1.030 626 I CB 1.664 39.577 38.000 -0.145 0.000 1.259 626 I HN 0.940 nan 8.210 nan 0.000 0.423 627 W N 7.051 128.472 121.300 0.201 0.000 3.213 627 W HA 0.845 5.506 4.660 0.000 0.000 0.318 627 W C -1.509 175.158 176.519 0.247 0.000 1.248 627 W CA -0.961 56.520 57.345 0.226 0.000 1.187 627 W CB 1.111 30.764 29.460 0.321 0.000 1.403 627 W HN 0.830 nan 8.180 nan 0.000 0.556 628 G N 0.959 109.681 108.800 -0.129 0.000 2.601 628 G HA2 0.486 4.447 3.960 0.000 0.000 0.291 628 G HA3 0.486 4.447 3.960 0.000 0.000 0.291 628 G C -2.831 172.018 174.900 -0.084 0.000 1.456 628 G CA -0.720 44.166 45.100 -0.357 0.000 0.804 628 G HN 0.591 nan 8.290 nan 0.000 0.499 629 W N 1.157 122.346 121.300 -0.184 0.000 2.656 629 W HA 0.589 5.249 4.660 0.000 0.000 0.327 629 W C 0.769 177.339 176.519 0.085 0.000 1.041 629 W CA 0.269 57.598 57.345 -0.027 0.000 1.229 629 W CB 1.745 31.193 29.460 -0.021 0.000 1.397 629 W HN 1.151 nan 8.180 nan 0.000 0.479 630 S N 3.046 118.997 115.700 0.417 0.000 4.151 630 S HA -0.431 4.039 4.470 0.000 0.000 0.603 630 S C 1.157 175.873 174.600 0.193 0.000 1.878 630 S CA 1.945 60.382 58.200 0.396 0.000 4.246 630 S CB -1.832 61.768 63.200 0.667 0.000 0.211 630 S HN 0.729 nan 8.310 nan 0.000 0.469 631 Y N 2.658 122.997 120.300 0.064 0.000 2.274 631 Y HA 0.087 4.637 4.550 0.000 0.000 0.290 631 Y C 2.357 178.187 175.900 -0.118 0.000 1.145 631 Y CA 2.424 60.449 58.100 -0.125 0.000 1.203 631 Y CB -1.023 37.166 38.460 -0.452 0.000 0.984 631 Y HN 0.490 nan 8.280 nan 0.000 0.533 632 G N -1.003 107.851 108.800 0.090 0.000 2.422 632 G HA2 -0.204 3.756 3.960 0.000 0.000 0.218 632 G HA3 -0.204 3.756 3.960 0.000 0.000 0.218 632 G C 1.895 176.835 174.900 0.068 0.000 1.140 632 G CA 0.712 45.867 45.100 0.092 0.000 0.775 632 G HN 0.569 nan 8.290 nan 0.000 0.545 633 G N -0.264 108.587 108.800 0.086 0.000 2.403 633 G HA2 -0.173 3.788 3.960 0.000 0.000 0.216 633 G HA3 -0.173 3.788 3.960 0.000 0.000 0.216 633 G C 1.516 176.450 174.900 0.056 0.000 1.154 633 G CA 0.922 46.059 45.100 0.061 0.000 0.784 633 G HN 0.478 nan 8.290 nan 0.000 0.538 634 Y N 1.103 121.317 120.300 -0.143 0.000 2.114 634 Y HA -0.162 4.388 4.550 0.000 0.000 0.284 634 Y C 2.794 178.610 175.900 -0.141 0.000 1.143 634 Y CA 1.823 59.785 58.100 -0.230 0.000 1.135 634 Y CB -0.228 37.937 38.460 -0.491 0.000 0.980 634 Y HN 0.023 nan 8.280 nan 0.000 0.499 635 V N 0.019 119.814 119.914 -0.198 0.000 2.332 635 V HA -0.339 3.782 4.120 0.000 0.000 0.248 635 V C 2.301 178.284 176.094 -0.186 0.000 1.055 635 V CA 2.424 64.594 62.300 -0.216 0.000 1.038 635 V CB -1.117 30.722 31.823 0.027 0.000 0.651 635 V HN 0.528 nan 8.190 nan 0.000 0.450 636 T N -0.239 114.259 114.554 -0.093 0.000 2.720 636 T HA -0.185 4.165 4.350 0.000 0.000 0.268 636 T C 2.137 176.773 174.700 -0.107 0.000 1.037 636 T CA 1.961 64.012 62.100 -0.081 0.000 1.144 636 T CB -0.228 68.668 68.868 0.047 0.000 0.864 636 T HN 0.530 nan 8.240 nan 0.000 0.444 637 S N 0.996 116.665 115.700 -0.051 0.000 2.368 637 S HA 0.017 4.487 4.470 0.000 0.000 0.224 637 S C 2.127 176.640 174.600 -0.146 0.000 1.029 637 S CA 0.846 59.039 58.200 -0.012 0.000 0.988 637 S CB -0.241 63.013 63.200 0.090 0.000 0.838 637 S HN 0.320 nan 8.310 nan 0.000 0.462 638 M N 0.995 120.430 119.600 -0.276 0.000 2.159 638 M HA -0.022 4.458 4.480 0.000 0.000 0.263 638 M C 2.168 178.314 176.300 -0.256 0.000 1.063 638 M CA 1.041 56.161 55.300 -0.299 0.000 1.110 638 M CB -1.363 30.951 32.600 -0.477 0.000 1.374 638 M HN 0.174 nan 8.290 nan 0.000 0.411 639 V N 0.461 120.209 119.914 -0.277 0.000 2.307 639 V HA -0.215 3.905 4.120 0.000 0.000 0.245 639 V C 2.469 178.362 176.094 -0.335 0.000 1.045 639 V CA 1.276 63.408 62.300 -0.280 0.000 1.024 639 V CB -0.558 31.027 31.823 -0.397 0.000 0.651 639 V HN 0.393 nan 8.190 nan 0.000 0.449 640 L N 0.383 121.328 121.223 -0.463 0.000 2.265 640 L HA -0.043 4.297 4.340 0.000 0.000 0.215 640 L C 2.085 178.400 176.870 -0.925 0.000 1.117 640 L CA 1.409 55.870 54.840 -0.632 0.000 0.782 640 L CB -0.591 41.016 42.059 -0.754 0.000 0.914 640 L HN 0.485 nan 8.230 nan 0.000 0.441 641 G N -1.624 106.686 108.800 -0.816 0.000 3.337 641 G HA2 -0.003 3.957 3.960 0.000 0.000 0.246 641 G HA3 -0.003 3.957 3.960 0.000 0.000 0.246 641 G C 1.387 176.161 174.900 -0.211 0.000 1.131 641 G CA 0.530 45.298 45.100 -0.554 0.000 0.773 641 G HN 0.389 nan 8.290 nan 0.000 0.544 642 S N -0.733 114.853 115.700 -0.190 0.000 2.470 642 S HA 0.308 4.778 4.470 0.000 0.000 0.225 642 S C 1.931 176.498 174.600 -0.056 0.000 1.006 642 S CA 1.066 59.212 58.200 -0.090 0.000 0.934 642 S CB -0.057 63.105 63.200 -0.063 0.000 0.778 642 S HN 1.369 nan 8.310 nan 0.000 0.517 643 G N 1.354 110.110 108.800 -0.073 0.000 2.136 643 G HA2 -0.335 3.625 3.960 0.000 0.000 0.242 643 G HA3 -0.335 3.625 3.960 0.000 0.000 0.242 643 G C 0.978 175.871 174.900 -0.012 0.000 0.989 643 G CA 0.942 46.019 45.100 -0.038 0.000 0.682 643 G HN 1.265 nan 8.290 nan 0.000 0.522 644 S N -0.536 115.169 115.700 0.007 0.000 2.399 644 S HA 0.271 4.741 4.470 0.000 0.000 0.231 644 S C 2.615 177.217 174.600 0.004 0.000 1.022 644 S CA 1.812 60.025 58.200 0.021 0.000 0.983 644 S CB -0.330 62.913 63.200 0.072 0.000 0.803 644 S HN 2.441 nan 8.310 nan 0.000 0.480 645 G N -0.112 108.698 108.800 0.018 0.000 2.184 645 G HA2 -0.285 3.675 3.960 0.000 0.000 0.264 645 G HA3 -0.285 3.675 3.960 0.000 0.000 0.264 645 G C 0.750 175.627 174.900 -0.039 0.000 0.975 645 G CA 0.416 45.515 45.100 -0.001 0.000 0.642 645 G HN 0.757 nan 8.290 nan 0.000 0.536 646 V N -0.545 119.316 119.914 -0.088 0.000 2.719 646 V HA 0.268 4.388 4.120 0.000 0.000 0.252 646 V C 1.130 176.938 176.094 -0.477 0.000 1.065 646 V CA 1.373 63.471 62.300 -0.337 0.000 1.086 646 V CB -0.372 31.112 31.823 -0.565 0.000 0.700 646 V HN 0.319 nan 8.190 nan 0.000 0.467 647 F N -0.030 119.931 119.950 0.019 0.000 2.436 647 F HA 0.410 4.937 4.527 0.000 0.000 0.340 647 F C 1.110 176.950 175.800 0.067 0.000 1.113 647 F CA -0.598 57.439 58.000 0.062 0.000 1.022 647 F CB 1.475 40.512 39.000 0.062 0.000 1.128 647 F HN -0.260 nan 8.300 nan 0.000 0.466 648 K N 1.761 122.312 120.400 0.253 0.000 2.116 648 K HA 0.072 4.393 4.320 0.000 0.000 0.203 648 K C -0.015 176.708 176.600 0.206 0.000 1.052 648 K CA 0.959 57.361 56.287 0.191 0.000 0.952 648 K CB 0.225 32.836 32.500 0.184 0.000 0.729 648 K HN 0.807 nan 8.250 nan 0.000 0.446 649 c N -2.720 116.039 118.600 0.264 0.000 3.332 649 c HA 0.912 5.482 4.570 0.000 0.000 0.329 649 c C -0.207 174.103 174.090 0.367 0.000 1.434 649 c CA -0.600 55.909 56.329 0.300 0.000 1.314 649 c CB 1.117 43.736 42.510 0.182 0.000 1.664 649 c HN 0.347 nan 8.230 nan 0.000 0.457 650 G N -0.059 109.026 108.800 0.476 0.000 2.632 650 G HA2 0.692 4.652 3.960 0.000 0.000 0.292 650 G HA3 0.692 4.652 3.960 0.000 0.000 0.292 650 G C -1.973 173.159 174.900 0.386 0.000 1.465 650 G CA -0.662 44.685 45.100 0.411 0.000 0.824 650 G HN 0.987 nan 8.290 nan 0.000 0.509 651 I N 0.793 121.562 120.570 0.331 0.000 2.466 651 I HA 0.620 4.790 4.170 0.000 0.000 0.289 651 I C 0.127 176.378 176.117 0.223 0.000 1.026 651 I CA -0.989 60.399 61.300 0.147 0.000 1.078 651 I CB 2.234 40.312 38.000 0.130 0.000 1.249 651 I HN 0.657 nan 8.210 nan 0.000 0.429 652 A N 6.533 129.383 122.820 0.051 0.000 2.304 652 A HA 0.771 5.091 4.320 0.000 0.000 0.314 652 A C -0.759 176.747 177.584 -0.130 0.000 1.187 652 A CA -0.508 51.560 52.037 0.051 0.000 0.810 652 A CB 1.154 20.255 19.000 0.167 0.000 1.183 652 A HN 0.441 nan 8.150 nan 0.000 0.487 653 V N 2.148 121.930 119.914 -0.221 0.000 2.398 653 V HA 0.563 4.684 4.120 0.000 0.000 0.286 653 V C 0.998 176.723 176.094 -0.614 0.000 1.026 653 V CA 0.326 62.275 62.300 -0.584 0.000 0.868 653 V CB 0.859 31.965 31.823 -1.194 0.000 0.982 653 V HN 2.075 nan 8.190 nan 0.000 0.443 654 A N 5.615 128.068 122.820 -0.612 0.000 2.511 654 A HA -0.109 4.211 4.320 0.000 0.000 0.297 654 A C -1.628 175.824 177.584 -0.221 0.000 1.476 654 A CA 0.475 52.051 52.037 -0.769 0.000 0.757 654 A CB -1.578 17.112 19.000 -0.517 0.000 1.072 654 A HN 0.632 nan 8.150 nan 0.000 0.413 655 P HA 0.400 nan 4.420 nan 0.000 0.277 655 P C 0.171 177.443 177.300 -0.047 0.000 1.240 655 P CA -0.161 62.927 63.100 -0.019 0.000 0.798 655 P CB 1.309 33.020 31.700 0.017 0.000 0.979 656 V N 2.275 122.066 119.914 -0.205 0.000 2.649 656 V HA 0.114 4.234 4.120 0.000 0.000 0.292 656 V C 1.642 177.523 176.094 -0.355 0.000 1.055 656 V CA 0.895 62.919 62.300 -0.459 0.000 1.023 656 V CB 0.895 32.070 31.823 -1.079 0.000 0.992 656 V HN 0.852 nan 8.190 nan 0.000 0.480 657 S N 3.553 119.072 115.700 -0.301 0.000 2.631 657 S HA 0.311 4.781 4.470 0.000 0.000 0.246 657 S C 0.480 174.911 174.600 -0.281 0.000 1.068 657 S CA -0.394 57.714 58.200 -0.153 0.000 0.995 657 S CB 0.350 63.532 63.200 -0.030 0.000 0.944 657 S HN 0.683 nan 8.310 nan 0.000 0.529 658 R N -0.603 119.608 120.500 -0.483 0.000 2.523 658 R HA 0.306 4.647 4.340 0.000 0.000 0.278 658 R C -1.020 174.947 176.300 -0.555 0.000 1.150 658 R CA -0.628 55.125 56.100 -0.578 0.000 0.987 658 R CB 0.419 30.220 30.300 -0.832 0.000 1.232 658 R HN 0.267 nan 8.270 nan 0.000 0.424 659 W N 2.172 123.368 121.300 -0.175 0.000 2.364 659 W HA -0.109 4.551 4.660 0.000 0.000 0.281 659 W C 1.246 177.886 176.519 0.201 0.000 1.219 659 W CA 0.794 58.131 57.345 -0.013 0.000 1.220 659 W CB 0.303 29.678 29.460 -0.143 0.000 1.127 659 W HN 0.660 nan 8.180 nan 0.000 0.556 660 E N -1.124 119.242 120.200 0.276 0.000 2.409 660 E HA -0.166 4.184 4.350 0.000 0.000 0.198 660 E C 1.205 177.952 176.600 0.246 0.000 1.024 660 E CA 0.718 57.238 56.400 0.201 0.000 0.861 660 E CB -0.313 29.397 29.700 0.015 0.000 0.788 660 E HN 0.546 nan 8.360 nan 0.000 0.521 661 Y N -1.475 118.906 120.300 0.136 0.000 2.517 661 Y HA 0.005 4.555 4.550 0.000 0.000 0.281 661 Y C 0.989 176.964 175.900 0.125 0.000 1.125 661 Y CA -0.489 57.656 58.100 0.074 0.000 1.283 661 Y CB 0.405 38.851 38.460 -0.022 0.000 1.042 661 Y HN 0.035 nan 8.280 nan 0.000 0.547 662 Y N 2.183 122.620 120.300 0.228 0.000 2.392 662 Y HA 0.093 4.643 4.550 0.000 0.000 0.323 662 Y C 0.390 176.500 175.900 0.350 0.000 1.291 662 Y CA -1.569 56.673 58.100 0.237 0.000 1.345 662 Y CB 0.615 39.248 38.460 0.290 0.000 1.320 662 Y HN 0.135 nan 8.280 nan 0.000 0.518 663 D N -0.217 119.915 120.400 -0.448 0.000 2.382 663 D HA 0.023 4.663 4.640 0.000 0.000 0.240 663 D C 0.909 177.196 176.300 -0.021 0.000 1.146 663 D CA 0.306 54.117 54.000 -0.314 0.000 0.897 663 D CB 1.204 41.576 40.800 -0.713 0.000 1.197 663 D HN 0.514 nan 8.370 nan 0.000 0.432 664 S N 1.108 116.805 115.700 -0.006 0.000 2.356 664 S HA -0.218 4.252 4.470 0.000 0.000 0.223 664 S C 1.931 176.562 174.600 0.052 0.000 1.032 664 S CA 1.154 59.400 58.200 0.076 0.000 1.005 664 S CB -1.005 62.246 63.200 0.085 0.000 0.867 664 S HN 0.433 nan 8.310 nan 0.000 0.449 665 V N 0.833 120.713 119.914 -0.055 0.000 2.287 665 V HA -0.177 3.943 4.120 0.000 0.000 0.248 665 V C 2.331 178.350 176.094 -0.125 0.000 1.053 665 V CA 2.278 64.454 62.300 -0.206 0.000 1.027 665 V CB -1.086 30.457 31.823 -0.467 0.000 0.646 665 V HN 0.641 nan 8.190 nan 0.000 0.447 666 Y N 1.179 121.432 120.300 -0.079 0.000 2.176 666 Y HA -0.159 4.391 4.550 0.000 0.000 0.291 666 Y C 2.687 178.618 175.900 0.052 0.000 1.122 666 Y CA 2.099 60.228 58.100 0.050 0.000 1.128 666 Y CB -0.602 38.078 38.460 0.366 0.000 1.005 666 Y HN 0.202 nan 8.280 nan 0.000 0.509 667 T N 0.536 115.357 114.554 0.445 0.000 2.652 667 T HA -0.216 4.134 4.350 0.000 0.000 0.267 667 T C 1.588 176.281 174.700 -0.012 0.000 1.039 667 T CA 2.035 64.311 62.100 0.293 0.000 1.153 667 T CB -0.347 68.827 68.868 0.510 0.000 0.863 667 T HN 0.426 nan 8.240 nan 0.000 0.428 668 E N 0.499 120.718 120.200 0.031 0.000 2.204 668 E HA -0.122 4.228 4.350 0.000 0.000 0.195 668 E C 2.365 178.853 176.600 -0.186 0.000 0.990 668 E CA 0.517 56.918 56.400 0.002 0.000 0.821 668 E CB -0.132 29.611 29.700 0.071 0.000 0.750 668 E HN 0.330 nan 8.360 nan 0.000 0.477 669 R N 0.149 120.384 120.500 -0.442 0.000 2.105 669 R HA -0.199 4.141 4.340 0.000 0.000 0.239 669 R C 1.231 177.012 176.300 -0.865 0.000 1.135 669 R CA 1.680 57.329 56.100 -0.751 0.000 0.967 669 R CB -0.031 29.491 30.300 -1.296 0.000 0.861 669 R HN 0.309 nan 8.270 nan 0.000 0.442 670 Y N -2.322 117.656 120.300 -0.537 0.000 2.498 670 Y HA 0.222 4.773 4.550 0.000 0.000 0.259 670 Y C 1.748 177.461 175.900 -0.311 0.000 1.086 670 Y CA -0.284 57.507 58.100 -0.516 0.000 1.287 670 Y CB 0.506 38.513 38.460 -0.755 0.000 1.146 670 Y HN -0.063 nan 8.280 nan 0.000 0.523 671 M N -0.092 119.402 119.600 -0.176 0.000 2.313 671 M HA 0.360 4.840 4.480 0.000 0.000 0.273 671 M C 1.084 177.413 176.300 0.049 0.000 1.049 671 M CA 0.721 55.919 55.300 -0.171 0.000 1.004 671 M CB -0.166 32.123 32.600 -0.518 0.000 1.461 671 M HN 0.371 nan 8.290 nan 0.000 0.514 672 G N 1.990 110.826 108.800 0.060 0.000 2.601 672 G HA2 -0.253 3.707 3.960 0.000 0.000 0.252 672 G HA3 -0.253 3.707 3.960 0.000 0.000 0.252 672 G C -0.501 174.531 174.900 0.220 0.000 1.294 672 G CA -0.658 44.511 45.100 0.116 0.000 0.912 672 G HN 0.362 nan 8.290 nan 0.000 0.574 673 L N 1.984 123.305 121.223 0.163 0.000 2.334 673 L HA 0.473 4.814 4.340 0.000 0.000 0.275 673 L C -1.543 175.318 176.870 -0.016 0.000 1.036 673 L CA -1.873 53.015 54.840 0.081 0.000 0.807 673 L CB 2.179 44.252 42.059 0.023 0.000 1.231 673 L HN 0.456 nan 8.230 nan 0.000 0.438 674 P HA 0.075 nan 4.420 nan 0.000 0.220 674 P C -0.655 176.503 177.300 -0.237 0.000 1.806 674 P CA -0.108 62.614 63.100 -0.630 0.000 0.976 674 P CB -0.354 30.662 31.700 -1.140 0.000 1.952 675 T N -2.520 111.977 114.554 -0.095 0.000 2.893 675 T HA 0.459 4.810 4.350 0.000 0.000 0.291 675 T C -2.317 172.379 174.700 -0.006 0.000 1.028 675 T CA -2.522 59.551 62.100 -0.045 0.000 0.995 675 T CB 1.927 70.778 68.868 -0.028 0.000 1.051 675 T HN -0.293 nan 8.240 nan 0.000 0.470 676 P HA -0.185 nan 4.420 nan 0.000 0.216 676 P C 1.547 178.859 177.300 0.020 0.000 1.150 676 P CA 1.164 64.272 63.100 0.013 0.000 0.843 676 P CB 0.115 31.820 31.700 0.008 0.000 0.787 677 E N -1.295 118.914 120.200 0.014 0.000 2.427 677 E HA -0.126 4.224 4.350 0.000 0.000 0.196 677 E C 1.062 177.677 176.600 0.024 0.000 1.028 677 E CA 1.001 57.410 56.400 0.016 0.000 0.864 677 E CB -0.403 29.302 29.700 0.008 0.000 0.813 677 E HN 0.256 nan 8.360 nan 0.000 0.514 678 D N 1.050 121.470 120.400 0.033 0.000 2.949 678 D HA 0.009 4.649 4.640 0.000 0.000 0.247 678 D C 0.430 176.781 176.300 0.085 0.000 1.552 678 D CA 0.260 54.291 54.000 0.052 0.000 1.231 678 D CB -0.005 40.826 40.800 0.052 0.000 0.990 678 D HN 0.074 nan 8.370 nan 0.000 0.270 679 N N -0.187 118.594 118.700 0.135 0.000 2.387 679 N HA 0.085 4.825 4.740 0.000 0.000 0.259 679 N C 0.870 176.571 175.510 0.317 0.000 1.369 679 N CA -0.080 53.099 53.050 0.215 0.000 0.867 679 N CB 0.177 38.813 38.487 0.248 0.000 1.341 679 N HN 0.076 nan 8.380 nan 0.000 0.495 680 L N 0.634 121.963 121.223 0.176 0.000 2.013 680 L HA -0.128 4.212 4.340 0.000 0.000 0.212 680 L C 1.284 178.262 176.870 0.179 0.000 1.073 680 L CA 2.049 56.968 54.840 0.131 0.000 0.753 680 L CB -0.462 41.612 42.059 0.025 0.000 0.890 680 L HN 0.194 nan 8.230 nan 0.000 0.432 681 D N -1.403 119.082 120.400 0.142 0.000 2.116 681 D HA -0.281 4.359 4.640 0.000 0.000 0.193 681 D C 2.038 178.432 176.300 0.157 0.000 0.998 681 D CA 1.911 55.986 54.000 0.124 0.000 0.836 681 D CB -0.251 40.609 40.800 0.101 0.000 0.951 681 D HN 0.591 nan 8.370 nan 0.000 0.449 682 H N -0.837 118.296 119.070 0.104 0.000 2.495 682 H HA -0.056 4.500 4.556 0.000 0.000 0.287 682 H C 1.651 177.037 175.328 0.096 0.000 1.033 682 H CA 1.020 57.107 56.048 0.064 0.000 1.307 682 H CB -0.220 29.543 29.762 0.001 0.000 1.401 682 H HN 0.152 nan 8.280 nan 0.000 0.555 683 Y N 0.113 120.391 120.300 -0.037 0.000 2.200 683 Y HA -0.115 4.435 4.550 0.000 0.000 0.290 683 Y C 2.269 178.128 175.900 -0.067 0.000 1.137 683 Y CA 1.218 59.299 58.100 -0.032 0.000 1.163 683 Y CB 0.191 38.668 38.460 0.028 0.000 0.988 683 Y HN 0.104 nan 8.280 nan 0.000 0.518 684 R N -0.087 120.483 120.500 0.118 0.000 2.193 684 R HA -0.028 4.312 4.340 0.000 0.000 0.213 684 R C 1.092 177.390 176.300 -0.004 0.000 1.055 684 R CA 0.682 56.806 56.100 0.040 0.000 0.995 684 R CB -0.551 29.774 30.300 0.042 0.000 0.893 684 R HN 0.424 nan 8.270 nan 0.000 0.459 685 N N 0.275 118.958 118.700 -0.029 0.000 2.373 685 N HA -0.032 4.708 4.740 0.000 0.000 0.181 685 N C 0.546 176.016 175.510 -0.067 0.000 1.082 685 N CA 0.512 53.546 53.050 -0.027 0.000 0.885 685 N CB 0.414 38.918 38.487 0.028 0.000 0.977 685 N HN 0.127 nan 8.380 nan 0.000 0.462 686 S N -0.267 115.343 115.700 -0.150 0.000 2.573 686 S HA 0.081 4.551 4.470 0.000 0.000 0.244 686 S C 0.655 175.295 174.600 0.068 0.000 0.984 686 S CA -0.703 57.458 58.200 -0.064 0.000 1.001 686 S CB -0.443 62.640 63.200 -0.195 0.000 0.788 686 S HN 0.172 nan 8.310 nan 0.000 0.456 687 T N -1.921 112.632 114.554 -0.000 0.000 2.918 687 T HA 0.531 4.881 4.350 0.000 0.000 0.283 687 T C 1.255 175.951 174.700 -0.007 0.000 1.001 687 T CA -0.661 61.427 62.100 -0.021 0.000 1.041 687 T CB 1.363 70.182 68.868 -0.082 0.000 1.028 687 T HN -0.041 nan 8.240 nan 0.000 0.511 688 V N 1.582 121.488 119.914 -0.012 0.000 2.453 688 V HA -0.096 4.024 4.120 0.000 0.000 0.247 688 V C 2.627 178.689 176.094 -0.055 0.000 1.048 688 V CA 1.452 63.735 62.300 -0.028 0.000 1.049 688 V CB -0.963 30.841 31.823 -0.031 0.000 0.672 688 V HN 0.808 nan 8.190 nan 0.000 0.457 689 M N 1.345 120.901 119.600 -0.074 0.000 2.106 689 M HA -0.195 4.285 4.480 0.000 0.000 0.259 689 M C 2.403 178.669 176.300 -0.056 0.000 1.068 689 M CA 2.339 57.587 55.300 -0.086 0.000 1.100 689 M CB -1.076 31.487 32.600 -0.062 0.000 1.351 689 M HN 0.538 nan 8.290 nan 0.000 0.404 690 S N -0.184 115.497 115.700 -0.032 0.000 2.469 690 S HA -0.120 4.350 4.470 0.000 0.000 0.238 690 S C 1.748 176.351 174.600 0.005 0.000 0.998 690 S CA 0.874 59.066 58.200 -0.013 0.000 0.957 690 S CB -0.559 62.636 63.200 -0.008 0.000 0.764 690 S HN 0.559 nan 8.310 nan 0.000 0.514 691 R N 0.611 121.124 120.500 0.023 0.000 2.359 691 R HA 0.450 4.790 4.340 0.000 0.000 0.231 691 R C 2.226 178.620 176.300 0.157 0.000 0.913 691 R CA 0.415 56.561 56.100 0.077 0.000 1.075 691 R CB -0.305 30.048 30.300 0.088 0.000 1.087 691 R HN 0.473 nan 8.270 nan 0.000 0.515 692 A N 1.893 124.734 122.820 0.036 0.000 1.915 692 A HA -0.317 4.004 4.320 0.000 0.000 0.220 692 A C 2.072 179.716 177.584 0.100 0.000 1.198 692 A CA 2.085 54.093 52.037 -0.049 0.000 0.647 692 A CB -0.354 18.569 19.000 -0.129 0.000 0.825 692 A HN 0.280 nan 8.150 nan 0.000 0.456 693 E N 0.652 120.899 120.200 0.079 0.000 2.130 693 E HA -0.184 4.166 4.350 0.000 0.000 0.196 693 E C 1.435 178.105 176.600 0.115 0.000 0.998 693 E CA 1.623 58.073 56.400 0.083 0.000 0.806 693 E CB -0.319 29.412 29.700 0.052 0.000 0.738 693 E HN 0.614 nan 8.360 nan 0.000 0.459 694 N N -0.436 118.340 118.700 0.127 0.000 2.571 694 N HA -0.093 4.647 4.740 0.000 0.000 0.189 694 N C 0.401 175.931 175.510 0.033 0.000 1.154 694 N CA 0.424 53.510 53.050 0.060 0.000 0.907 694 N CB -0.158 38.325 38.487 -0.007 0.000 0.977 694 N HN 0.223 nan 8.380 nan 0.000 0.449 695 F N 0.792 120.707 119.950 -0.059 0.000 2.797 695 F HA 0.100 4.627 4.527 0.000 0.000 0.302 695 F C 2.015 177.824 175.800 0.015 0.000 1.130 695 F CA 0.131 58.093 58.000 -0.063 0.000 1.387 695 F CB 0.161 39.081 39.000 -0.132 0.000 1.107 695 F HN -0.160 nan 8.300 nan 0.000 0.577 696 K N 0.862 121.368 120.400 0.177 0.000 2.113 696 K HA -0.189 4.131 4.320 0.000 0.000 0.208 696 K C 1.326 177.994 176.600 0.113 0.000 1.047 696 K CA 1.697 58.065 56.287 0.136 0.000 0.928 696 K CB -0.240 32.317 32.500 0.095 0.000 0.716 696 K HN 0.299 nan 8.250 nan 0.000 0.446 697 Q N 0.122 119.971 119.800 0.081 0.000 2.201 697 Q HA 0.145 4.486 4.340 0.000 0.000 0.217 697 Q C -0.557 175.490 176.000 0.079 0.000 0.860 697 Q CA -0.231 55.614 55.803 0.070 0.000 0.984 697 Q CB 0.794 29.559 28.738 0.045 0.000 1.095 697 Q HN 0.191 nan 8.270 nan 0.000 0.477 698 V N -3.409 116.567 119.914 0.103 0.000 3.040 698 V HA 0.523 4.643 4.120 0.000 0.000 0.312 698 V C -0.894 175.337 176.094 0.229 0.000 1.115 698 V CA -1.214 61.164 62.300 0.129 0.000 0.998 698 V CB 2.370 34.221 31.823 0.047 0.000 1.042 698 V HN 0.013 nan 8.190 nan 0.000 0.433 699 E N 1.681 122.047 120.200 0.276 0.000 2.174 699 E HA 0.488 4.839 4.350 0.000 0.000 0.282 699 E C -1.872 175.092 176.600 0.607 0.000 0.992 699 E CA -0.403 56.238 56.400 0.401 0.000 0.803 699 E CB 1.913 31.786 29.700 0.288 0.000 1.090 699 E HN 0.716 nan 8.360 nan 0.000 0.396 700 Y N 3.243 123.806 120.300 0.439 0.000 2.406 700 Y HA 0.437 4.987 4.550 0.000 0.000 0.340 700 Y C -1.825 174.160 175.900 0.141 0.000 0.975 700 Y CA -1.420 56.873 58.100 0.322 0.000 1.056 700 Y CB 1.109 39.806 38.460 0.396 0.000 1.210 700 Y HN 0.422 nan 8.280 nan 0.000 0.448 701 L N 7.683 128.640 121.223 -0.443 0.000 2.325 701 L HA 0.622 4.963 4.340 0.000 0.000 0.281 701 L C -2.140 174.306 176.870 -0.707 0.000 1.004 701 L CA -0.786 53.659 54.840 -0.659 0.000 0.823 701 L CB 1.295 42.667 42.059 -1.145 0.000 1.236 701 L HN 0.661 nan 8.230 nan 0.000 0.415 702 L N 6.642 127.536 121.223 -0.549 0.000 2.305 702 L HA 0.697 5.037 4.340 0.000 0.000 0.284 702 L C -1.102 175.655 176.870 -0.188 0.000 1.013 702 L CA 0.013 54.575 54.840 -0.464 0.000 0.819 702 L CB 1.160 42.955 42.059 -0.440 0.000 1.227 702 L HN 0.593 nan 8.230 nan 0.000 0.417 703 I N 4.333 124.804 120.570 -0.165 0.000 2.689 703 I HA 0.504 4.675 4.170 0.000 0.000 0.299 703 I C -1.167 174.957 176.117 0.012 0.000 1.059 703 I CA -0.759 60.503 61.300 -0.064 0.000 1.055 703 I CB 2.142 40.070 38.000 -0.119 0.000 1.243 703 I HN 0.683 nan 8.210 nan 0.000 0.425 704 H N 1.913 121.045 119.070 0.103 0.000 3.140 704 H HA 0.417 4.973 4.556 0.000 0.000 0.336 704 H C -0.475 175.103 175.328 0.416 0.000 1.142 704 H CA -0.625 55.537 56.048 0.191 0.000 1.308 704 H CB 1.753 31.559 29.762 0.073 0.000 1.970 704 H HN 0.766 nan 8.280 nan 0.000 0.521 705 G N 1.087 110.263 108.800 0.625 0.000 2.403 705 G HA2 0.218 4.178 3.960 0.000 0.000 0.259 705 G HA3 0.218 4.178 3.960 0.000 0.000 0.259 705 G C 1.163 176.355 174.900 0.487 0.000 1.244 705 G CA 0.151 45.562 45.100 0.518 0.000 0.849 705 G HN 0.739 nan 8.290 nan 0.000 0.532 706 T N -0.818 113.864 114.554 0.214 0.000 2.995 706 T HA 0.098 4.448 4.350 0.000 0.000 0.269 706 T C 1.700 176.375 174.700 -0.042 0.000 1.091 706 T CA 1.228 63.261 62.100 -0.112 0.000 1.128 706 T CB 0.175 68.909 68.868 -0.224 0.000 0.891 706 T HN 0.679 nan 8.240 nan 0.000 0.492 707 A N 1.010 123.879 122.820 0.083 0.000 2.577 707 A HA 0.304 4.624 4.320 0.000 0.000 0.280 707 A C 0.411 177.946 177.584 -0.081 0.000 1.331 707 A CA -0.511 51.543 52.037 0.030 0.000 0.935 707 A CB -0.287 18.980 19.000 0.445 0.000 1.082 707 A HN 0.380 nan 8.150 nan 0.000 0.525 708 D N 1.495 121.884 120.400 -0.017 0.000 2.346 708 D HA -0.009 4.631 4.640 0.000 0.000 0.260 708 D C 0.349 176.615 176.300 -0.057 0.000 1.252 708 D CA 0.237 54.329 54.000 0.154 0.000 0.895 708 D CB 0.719 41.782 40.800 0.438 0.000 1.097 708 D HN 0.584 nan 8.370 nan 0.000 0.489 709 D N 2.117 122.550 120.400 0.055 0.000 2.346 709 D HA -0.094 4.547 4.640 0.000 0.000 0.206 709 D C 1.036 177.336 176.300 -0.000 0.000 1.001 709 D CA 0.023 54.011 54.000 -0.020 0.000 0.871 709 D CB 0.286 41.044 40.800 -0.069 0.000 0.943 709 D HN 0.433 nan 8.370 nan 0.000 0.518 710 N N 0.298 119.085 118.700 0.146 0.000 2.272 710 N HA -0.038 4.702 4.740 0.000 0.000 0.195 710 N C -0.142 175.307 175.510 -0.100 0.000 1.048 710 N CA 0.257 53.410 53.050 0.173 0.000 0.912 710 N CB 0.672 39.231 38.487 0.119 0.000 1.096 710 N HN -0.177 nan 8.380 nan 0.000 0.471 711 V N 2.439 122.281 119.914 -0.119 0.000 2.288 711 V HA 0.184 4.305 4.120 0.000 0.000 0.266 711 V C -0.867 175.289 176.094 0.104 0.000 1.048 711 V CA -0.305 61.969 62.300 -0.043 0.000 0.842 711 V CB -0.148 31.681 31.823 0.011 0.000 1.064 711 V HN 0.347 nan 8.190 nan 0.000 0.472 712 H N 3.262 122.313 119.070 -0.031 0.000 3.038 712 H HA -0.058 4.498 4.556 0.000 0.000 0.338 712 H C 0.852 176.044 175.328 -0.226 0.000 1.041 712 H CA 0.038 55.996 56.048 -0.150 0.000 1.394 712 H CB 0.721 30.307 29.762 -0.293 0.000 1.357 712 H HN 0.634 nan 8.280 nan 0.000 0.600 713 F N 2.147 121.886 119.950 -0.352 0.000 2.192 713 F HA -0.303 4.225 4.527 0.000 0.000 0.301 713 F C 2.580 178.089 175.800 -0.485 0.000 1.079 713 F CA 1.781 59.333 58.000 -0.747 0.000 1.303 713 F CB -0.196 38.566 39.000 -0.395 0.000 1.024 713 F HN 0.671 nan 8.300 nan 0.000 0.494 714 Q N 0.226 119.890 119.800 -0.226 0.000 2.156 714 Q HA -0.319 4.021 4.340 0.000 0.000 0.211 714 Q C 2.047 177.805 176.000 -0.404 0.000 0.995 714 Q CA 2.337 57.957 55.803 -0.304 0.000 0.877 714 Q CB -0.398 28.128 28.738 -0.353 0.000 0.920 714 Q HN 0.600 nan 8.270 nan 0.000 0.416 715 Q N -0.309 119.293 119.800 -0.329 0.000 2.096 715 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 715 Q C 2.239 178.137 176.000 -0.169 0.000 0.982 715 Q CA 1.718 57.441 55.803 -0.133 0.000 0.850 715 Q CB -0.064 28.674 28.738 -0.000 0.000 0.901 715 Q HN 0.339 nan 8.270 nan 0.000 0.422 716 S N 0.531 116.023 115.700 -0.347 0.000 2.414 716 S HA 0.029 4.500 4.470 0.000 0.000 0.227 716 S C 2.023 176.371 174.600 -0.421 0.000 1.022 716 S CA 0.633 58.627 58.200 -0.344 0.000 0.958 716 S CB -0.030 62.952 63.200 -0.364 0.000 0.797 716 S HN 0.459 nan 8.310 nan 0.000 0.493 717 A N 1.335 123.811 122.820 -0.574 0.000 1.972 717 A HA -0.130 4.190 4.320 0.000 0.000 0.219 717 A C 2.100 179.582 177.584 -0.169 0.000 1.169 717 A CA 1.144 52.983 52.037 -0.331 0.000 0.635 717 A CB -0.366 18.509 19.000 -0.207 0.000 0.810 717 A HN 0.354 nan 8.150 nan 0.000 0.446 718 Q N -0.586 119.121 119.800 -0.155 0.000 2.187 718 Q HA 0.047 4.388 4.340 0.000 0.000 0.199 718 Q C 2.090 178.038 176.000 -0.087 0.000 0.957 718 Q CA 0.817 56.582 55.803 -0.063 0.000 0.857 718 Q CB -0.231 28.541 28.738 0.056 0.000 0.929 718 Q HN 0.779 nan 8.270 nan 0.000 0.453 719 I N 1.086 121.575 120.570 -0.135 0.000 2.163 719 I HA -0.269 3.901 4.170 0.000 0.000 0.240 719 I C 2.515 178.465 176.117 -0.278 0.000 1.081 719 I CA 1.433 62.613 61.300 -0.201 0.000 1.353 719 I CB -0.429 37.458 38.000 -0.188 0.000 1.054 719 I HN 0.179 nan 8.210 nan 0.000 0.407 720 S N 0.966 116.523 115.700 -0.237 0.000 2.370 720 S HA -0.294 4.176 4.470 0.000 0.000 0.226 720 S C 2.023 176.597 174.600 -0.044 0.000 1.033 720 S CA 1.577 59.674 58.200 -0.172 0.000 1.011 720 S CB -0.495 62.769 63.200 0.107 0.000 0.852 720 S HN 0.376 nan 8.310 nan 0.000 0.457 721 K N 1.669 122.045 120.400 -0.040 0.000 2.097 721 K HA 0.065 4.385 4.320 0.000 0.000 0.206 721 K C 2.228 178.809 176.600 -0.032 0.000 1.049 721 K CA 1.066 57.347 56.287 -0.010 0.000 0.933 721 K CB -0.608 31.884 32.500 -0.013 0.000 0.717 721 K HN 0.462 nan 8.250 nan 0.000 0.442 722 A N 0.875 123.644 122.820 -0.085 0.000 1.929 722 A HA -0.055 4.265 4.320 0.000 0.000 0.216 722 A C 2.033 179.551 177.584 -0.110 0.000 1.176 722 A CA 1.029 53.010 52.037 -0.094 0.000 0.628 722 A CB -0.463 18.462 19.000 -0.126 0.000 0.816 722 A HN 0.298 nan 8.150 nan 0.000 0.444 723 L N -0.665 120.448 121.223 -0.183 0.000 2.093 723 L HA -0.125 4.215 4.340 0.000 0.000 0.208 723 L C 2.485 179.379 176.870 0.039 0.000 1.085 723 L CA 0.826 55.572 54.840 -0.157 0.000 0.755 723 L CB -0.504 41.317 42.059 -0.397 0.000 0.904 723 L HN 0.230 nan 8.230 nan 0.000 0.435 724 V N -0.240 119.730 119.914 0.093 0.000 2.358 724 V HA -0.275 3.846 4.120 0.000 0.000 0.246 724 V C 2.023 178.154 176.094 0.062 0.000 1.047 724 V CA 1.801 64.174 62.300 0.122 0.000 1.035 724 V CB -0.487 31.408 31.823 0.120 0.000 0.658 724 V HN 0.427 nan 8.190 nan 0.000 0.452 725 D N 0.372 120.791 120.400 0.031 0.000 2.221 725 D HA -0.111 4.529 4.640 0.000 0.000 0.204 725 D C 1.741 178.054 176.300 0.022 0.000 0.982 725 D CA 1.718 55.730 54.000 0.020 0.000 0.857 725 D CB -0.059 40.744 40.800 0.006 0.000 0.934 725 D HN 0.568 nan 8.370 nan 0.000 0.475 726 V N -3.834 116.093 119.914 0.023 0.000 3.483 726 V HA 0.505 4.625 4.120 0.000 0.000 0.301 726 V C 1.230 177.353 176.094 0.048 0.000 1.389 726 V CA 0.246 62.564 62.300 0.029 0.000 1.101 726 V CB -0.029 31.807 31.823 0.022 0.000 0.971 726 V HN 0.128 nan 8.190 nan 0.000 0.434 727 G N 0.490 109.325 108.800 0.060 0.000 2.246 727 G HA2 -0.188 3.772 3.960 0.000 0.000 0.273 727 G HA3 -0.188 3.772 3.960 0.000 0.000 0.273 727 G C -0.078 174.881 174.900 0.098 0.000 1.055 727 G CA 0.268 45.411 45.100 0.073 0.000 0.851 727 G HN 0.846 nan 8.290 nan 0.000 0.500 728 V N 0.423 120.415 119.914 0.129 0.000 2.394 728 V HA 0.479 4.599 4.120 0.000 0.000 0.282 728 V C 0.396 176.659 176.094 0.281 0.000 1.031 728 V CA -0.529 61.878 62.300 0.178 0.000 0.881 728 V CB 1.767 33.688 31.823 0.163 0.000 0.982 728 V HN 0.437 nan 8.190 nan 0.000 0.451 729 D N 3.876 124.421 120.400 0.243 0.000 2.313 729 D HA 0.617 5.257 4.640 0.000 0.000 0.247 729 D C -0.581 175.945 176.300 0.378 0.000 1.094 729 D CA 0.175 54.306 54.000 0.219 0.000 0.925 729 D CB 0.866 41.734 40.800 0.113 0.000 1.188 729 D HN 0.383 nan 8.370 nan 0.000 0.430 730 F N -0.521 119.507 119.950 0.129 0.000 2.773 730 F HA 0.444 4.971 4.527 0.000 0.000 0.314 730 F C -1.584 174.274 175.800 0.096 0.000 1.160 730 F CA -1.184 56.916 58.000 0.166 0.000 0.920 730 F CB 0.745 39.879 39.000 0.222 0.000 1.323 730 F HN 0.063 nan 8.300 nan 0.000 0.457 731 Q N 1.548 121.441 119.800 0.154 0.000 2.222 731 Q HA 0.830 5.170 4.340 0.000 0.000 0.252 731 Q C -0.736 175.274 176.000 0.016 0.000 0.926 731 Q CA -0.682 55.118 55.803 -0.006 0.000 0.899 731 Q CB 1.880 30.645 28.738 0.046 0.000 1.250 731 Q HN 1.048 nan 8.270 nan 0.000 0.441 732 A N 1.551 124.343 122.820 -0.047 0.000 2.556 732 A HA 0.861 5.181 4.320 0.000 0.000 0.294 732 A C -1.376 176.159 177.584 -0.081 0.000 1.091 732 A CA -0.578 51.466 52.037 0.012 0.000 0.704 732 A CB 1.964 21.037 19.000 0.121 0.000 1.300 732 A HN 0.608 nan 8.150 nan 0.000 0.406 733 M N 1.226 120.764 119.600 -0.102 0.000 2.296 733 M HA 0.561 5.041 4.480 0.000 0.000 0.268 733 M C -2.167 173.998 176.300 -0.225 0.000 1.048 733 M CA -0.538 54.550 55.300 -0.354 0.000 0.966 733 M CB 1.076 33.376 32.600 -0.500 0.000 1.912 733 M HN 1.017 nan 8.290 nan 0.000 0.484 734 W N 4.422 125.559 121.300 -0.273 0.000 2.570 734 W HA 0.788 5.449 4.660 0.000 0.000 0.337 734 W C -2.057 174.210 176.519 -0.421 0.000 1.067 734 W CA -0.867 56.404 57.345 -0.122 0.000 1.229 734 W CB 0.471 29.917 29.460 -0.023 0.000 1.355 734 W HN 0.611 nan 8.180 nan 0.000 0.555 735 Y N 2.554 122.982 120.300 0.213 0.000 2.464 735 Y HA 0.298 4.848 4.550 0.000 0.000 0.326 735 Y C 0.547 176.555 175.900 0.180 0.000 0.969 735 Y CA -1.157 56.986 58.100 0.071 0.000 1.270 735 Y CB 1.147 39.630 38.460 0.038 0.000 1.103 735 Y HN 0.439 nan 8.280 nan 0.000 0.491 736 T N 4.612 119.338 114.554 0.286 0.000 2.866 736 T HA -0.057 4.293 4.350 0.000 0.000 0.293 736 T C 0.246 175.021 174.700 0.125 0.000 1.005 736 T CA 0.808 63.023 62.100 0.191 0.000 1.162 736 T CB -0.147 68.775 68.868 0.090 0.000 0.968 736 T HN 0.696 nan 8.240 nan 0.000 0.530 737 D N 0.815 121.262 120.400 0.079 0.000 3.077 737 D HA -0.126 4.515 4.640 0.000 0.000 0.217 737 D C 0.258 176.679 176.300 0.202 0.000 1.162 737 D CA 1.148 55.135 54.000 -0.022 0.000 0.943 737 D CB -0.376 40.211 40.800 -0.354 0.000 1.122 737 D HN 0.571 nan 8.370 nan 0.000 0.413 738 E N 0.914 121.258 120.200 0.239 0.000 2.277 738 E HA 0.318 4.669 4.350 0.000 0.000 0.274 738 E C 0.732 177.517 176.600 0.308 0.000 1.022 738 E CA -0.347 56.214 56.400 0.269 0.000 0.853 738 E CB 1.280 31.130 29.700 0.249 0.000 1.086 738 E HN 0.322 nan 8.360 nan 0.000 0.397 739 D N -0.154 120.440 120.400 0.322 0.000 2.530 739 D HA -0.012 4.628 4.640 0.000 0.000 0.282 739 D C 1.102 177.639 176.300 0.395 0.000 1.204 739 D CA -0.179 54.035 54.000 0.356 0.000 1.093 739 D CB -0.124 40.909 40.800 0.387 0.000 1.154 739 D HN 0.394 nan 8.370 nan 0.000 0.593 740 H N -1.426 117.827 119.070 0.305 0.000 2.457 740 H HA 0.039 4.596 4.556 0.000 0.000 0.297 740 H C 1.944 177.505 175.328 0.388 0.000 1.092 740 H CA 2.243 58.489 56.048 0.331 0.000 1.309 740 H CB -0.461 29.479 29.762 0.297 0.000 1.382 740 H HN 0.512 nan 8.280 nan 0.000 0.535 741 G N -0.198 108.770 108.800 0.281 0.000 2.551 741 G HA2 -0.034 3.926 3.960 0.000 0.000 0.216 741 G HA3 -0.034 3.926 3.960 0.000 0.000 0.216 741 G C 0.713 175.768 174.900 0.258 0.000 1.137 741 G CA 0.353 45.534 45.100 0.135 0.000 0.798 741 G HN 0.533 nan 8.290 nan 0.000 0.536 742 I N 0.041 120.790 120.570 0.300 0.000 6.272 742 I HA -0.321 3.849 4.170 0.000 0.000 0.126 742 I C 1.487 177.723 176.117 0.197 0.000 1.619 742 I CA 0.161 61.597 61.300 0.226 0.000 2.452 742 I CB -1.228 36.902 38.000 0.216 0.000 3.064 742 I HN 0.269 nan 8.210 nan 0.000 0.279 743 A N 1.026 123.935 122.820 0.149 0.000 2.390 743 A HA 0.295 4.615 4.320 0.000 0.000 0.232 743 A C 1.165 178.789 177.584 0.067 0.000 1.233 743 A CA 0.543 52.633 52.037 0.089 0.000 0.907 743 A CB 0.148 19.164 19.000 0.026 0.000 0.967 743 A HN 0.634 nan 8.150 nan 0.000 0.512 744 S N -0.359 115.396 115.700 0.092 0.000 2.568 744 S HA 0.142 4.612 4.470 0.000 0.000 0.282 744 S C 1.229 175.878 174.600 0.082 0.000 1.338 744 S CA 0.367 58.616 58.200 0.081 0.000 1.045 744 S CB 1.056 64.312 63.200 0.094 0.000 0.873 744 S HN 0.485 nan 8.310 nan 0.000 0.516 745 S N 2.214 117.951 115.700 0.062 0.000 2.368 745 S HA -0.212 4.258 4.470 0.000 0.000 0.226 745 S C 2.089 176.746 174.600 0.095 0.000 1.044 745 S CA 2.437 60.677 58.200 0.067 0.000 1.062 745 S CB -1.572 61.652 63.200 0.039 0.000 0.931 745 S HN 1.058 nan 8.310 nan 0.000 0.440 746 T N -0.331 114.268 114.554 0.076 0.000 2.812 746 T HA 0.205 4.556 4.350 0.000 0.000 0.264 746 T C 1.985 176.736 174.700 0.084 0.000 1.042 746 T CA 1.258 63.404 62.100 0.078 0.000 1.140 746 T CB -0.894 68.011 68.868 0.063 0.000 0.870 746 T HN 0.465 nan 8.240 nan 0.000 0.445 747 A N 1.422 124.272 122.820 0.050 0.000 1.930 747 A HA -0.088 4.232 4.320 0.000 0.000 0.217 747 A C 2.195 179.725 177.584 -0.091 0.000 1.175 747 A CA 1.981 53.974 52.037 -0.073 0.000 0.627 747 A CB -1.187 17.746 19.000 -0.111 0.000 0.815 747 A HN 0.738 nan 8.150 nan 0.000 0.443 748 H N -0.068 118.979 119.070 -0.039 0.000 2.293 748 H HA -0.130 4.427 4.556 0.000 0.000 0.300 748 H C 2.110 177.492 175.328 0.090 0.000 1.082 748 H CA 2.354 58.431 56.048 0.048 0.000 1.308 748 H CB -0.234 29.563 29.762 0.058 0.000 1.375 748 H HN 0.575 nan 8.280 nan 0.000 0.495 749 Q N -1.029 118.759 119.800 -0.020 0.000 2.119 749 Q HA -0.183 4.158 4.340 0.000 0.000 0.201 749 Q C 2.221 178.197 176.000 -0.040 0.000 0.972 749 Q CA 1.303 57.056 55.803 -0.084 0.000 0.847 749 Q CB -0.190 28.542 28.738 -0.010 0.000 0.903 749 Q HN 0.633 nan 8.270 nan 0.000 0.433 750 H N 0.802 119.839 119.070 -0.055 0.000 2.357 750 H HA -0.072 4.485 4.556 0.000 0.000 0.301 750 H C 2.018 177.346 175.328 -0.000 0.000 1.082 750 H CA 1.305 57.358 56.048 0.009 0.000 1.342 750 H CB -0.006 29.816 29.762 0.099 0.000 1.389 750 H HN 0.281 nan 8.280 nan 0.000 0.511 751 I N 0.043 120.591 120.570 -0.038 0.000 2.252 751 I HA -0.314 3.857 4.170 0.000 0.000 0.245 751 I C 1.767 177.672 176.117 -0.353 0.000 1.102 751 I CA 1.210 62.409 61.300 -0.168 0.000 1.385 751 I CB -0.283 37.418 38.000 -0.499 0.000 1.064 751 I HN 0.118 nan 8.210 nan 0.000 0.414 752 Y N 0.986 121.078 120.300 -0.347 0.000 2.352 752 Y HA -0.182 4.368 4.550 0.000 0.000 0.292 752 Y C 2.679 178.370 175.900 -0.348 0.000 1.136 752 Y CA 1.718 59.502 58.100 -0.527 0.000 1.227 752 Y CB -0.750 37.396 38.460 -0.523 0.000 0.991 752 Y HN 0.172 nan 8.280 nan 0.000 0.545 753 T N -1.859 112.612 114.554 -0.138 0.000 2.812 753 T HA -0.195 4.155 4.350 0.000 0.000 0.264 753 T C 1.552 176.125 174.700 -0.213 0.000 1.042 753 T CA 1.721 63.699 62.100 -0.204 0.000 1.140 753 T CB -0.398 68.350 68.868 -0.201 0.000 0.870 753 T HN 0.381 nan 8.240 nan 0.000 0.445 754 H N 0.948 119.898 119.070 -0.199 0.000 2.353 754 H HA 0.118 4.674 4.556 0.000 0.000 0.300 754 H C 2.131 177.456 175.328 -0.004 0.000 1.090 754 H CA 1.507 57.520 56.048 -0.058 0.000 1.327 754 H CB -0.227 29.495 29.762 -0.067 0.000 1.383 754 H HN 0.251 nan 8.280 nan 0.000 0.508 755 M N -0.974 118.577 119.600 -0.081 0.000 2.229 755 M HA -0.131 4.349 4.480 0.000 0.000 0.264 755 M C 2.345 178.775 176.300 0.217 0.000 1.063 755 M CA 1.248 56.505 55.300 -0.072 0.000 1.114 755 M CB 0.077 32.383 32.600 -0.490 0.000 1.387 755 M HN 0.188 nan 8.290 nan 0.000 0.420 756 S N -0.582 115.251 115.700 0.222 0.000 2.355 756 S HA -0.137 4.333 4.470 0.000 0.000 0.222 756 S C 1.704 176.405 174.600 0.169 0.000 1.031 756 S CA 0.958 59.374 58.200 0.360 0.000 0.993 756 S CB -0.526 62.856 63.200 0.303 0.000 0.859 756 S HN 0.461 nan 8.310 nan 0.000 0.453 757 H N 0.025 119.156 119.070 0.102 0.000 2.352 757 H HA -0.063 4.493 4.556 0.000 0.000 0.299 757 H C 1.977 177.309 175.328 0.006 0.000 1.097 757 H CA 1.375 57.436 56.048 0.021 0.000 1.311 757 H CB -0.778 28.946 29.762 -0.064 0.000 1.377 757 H HN 0.435 nan 8.280 nan 0.000 0.504 758 F N 1.235 121.181 119.950 -0.006 0.000 2.102 758 F HA -0.195 4.332 4.527 0.000 0.000 0.298 758 F C 2.326 178.089 175.800 -0.063 0.000 1.105 758 F CA 0.941 58.906 58.000 -0.058 0.000 1.239 758 F CB -0.313 38.634 39.000 -0.089 0.000 0.991 758 F HN -0.043 nan 8.300 nan 0.000 0.474 759 I N 0.741 121.336 120.570 0.042 0.000 2.142 759 I HA -0.293 3.878 4.170 0.000 0.000 0.240 759 I C 2.277 178.199 176.117 -0.325 0.000 1.078 759 I CA 1.583 62.740 61.300 -0.238 0.000 1.343 759 I CB -1.383 36.548 38.000 -0.115 0.000 1.046 759 I HN 0.210 nan 8.210 nan 0.000 0.405 760 K N 0.234 120.589 120.400 -0.076 0.000 2.063 760 K HA -0.244 4.076 4.320 0.000 0.000 0.208 760 K C 2.115 178.703 176.600 -0.020 0.000 1.048 760 K CA 1.337 57.632 56.287 0.013 0.000 0.928 760 K CB -0.296 32.261 32.500 0.094 0.000 0.713 760 K HN 0.337 nan 8.250 nan 0.000 0.442 761 Q N 1.397 121.146 119.800 -0.086 0.000 2.084 761 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 761 Q C 2.260 178.162 176.000 -0.162 0.000 0.978 761 Q CA 1.900 57.635 55.803 -0.113 0.000 0.844 761 Q CB -0.722 27.926 28.738 -0.150 0.000 0.898 761 Q HN 0.431 nan 8.270 nan 0.000 0.426 762 c N 0.212 118.610 118.600 -0.337 0.000 2.425 762 c HA -0.083 4.488 4.570 0.000 0.000 0.277 762 c C 2.208 176.311 174.090 0.022 0.000 1.280 762 c CA 0.479 56.630 56.329 -0.296 0.000 1.744 762 c CB -1.372 40.812 42.510 -0.544 0.000 1.989 762 c HN 0.526 nan 8.230 nan 0.000 0.491 763 F N 1.599 121.512 119.950 -0.061 0.000 2.765 763 F HA 0.301 4.828 4.527 0.000 0.000 0.302 763 F C 1.511 177.297 175.800 -0.022 0.000 1.111 763 F CA -0.312 57.673 58.000 -0.025 0.000 1.359 763 F CB -1.116 37.877 39.000 -0.011 0.000 1.097 763 F HN 0.023 nan 8.300 nan 0.000 0.577 764 S N 1.813 117.598 115.700 0.141 0.000 2.525 764 S HA 0.140 4.611 4.470 0.000 0.000 0.285 764 S C 0.366 174.999 174.600 0.055 0.000 1.283 764 S CA -0.275 57.971 58.200 0.077 0.000 1.072 764 S CB 0.208 63.430 63.200 0.037 0.000 0.867 764 S HN 0.083 nan 8.310 nan 0.000 0.492 765 L N 6.219 127.463 121.223 0.036 0.000 2.407 765 L HA 0.227 4.568 4.340 0.000 0.000 0.282 765 L C -0.827 176.050 176.870 0.011 0.000 1.110 765 L CA -1.358 53.492 54.840 0.016 0.000 0.863 765 L CB -0.488 41.571 42.059 -0.000 0.000 1.207 765 L HN 0.532 nan 8.230 nan 0.000 0.454 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.104 63.100 0.007 0.000 0.800 766 P CB 0.000 31.705 31.700 0.008 0.000 0.726