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 2rip_1_A 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 0.000 176.316 176.300 0.027 0.000 2.045 38 D CA 0.000 53.996 54.000 -0.007 0.000 0.868 38 D CB 0.000 40.807 40.800 0.012 0.000 0.688 39 S N 2.368 118.094 115.700 0.043 0.000 2.603 39 S HA 0.297 4.767 4.470 -0.000 0.000 0.232 39 S C 0.783 175.417 174.600 0.058 0.000 1.016 39 S CA -0.457 57.769 58.200 0.043 0.000 0.976 39 S CB 0.341 63.560 63.200 0.032 0.000 0.921 39 S HN 0.333 nan 8.310 nan 0.000 0.516 40 R N 2.945 123.488 120.500 0.072 0.000 2.590 40 R HA 0.190 4.530 4.340 -0.000 0.000 0.274 40 R C 0.531 176.883 176.300 0.088 0.000 1.061 40 R CA -0.118 56.029 56.100 0.078 0.000 1.081 40 R CB 0.554 30.903 30.300 0.083 0.000 0.984 40 R HN 0.543 nan 8.270 nan 0.000 0.448 41 K N 0.782 121.237 120.400 0.091 0.000 2.286 41 K HA 0.032 4.352 4.320 -0.000 0.000 0.256 41 K C -0.190 176.485 176.600 0.124 0.000 0.999 41 K CA -0.164 56.186 56.287 0.105 0.000 0.908 41 K CB 0.482 33.050 32.500 0.114 0.000 0.981 41 K HN 0.613 nan 8.250 nan 0.000 0.500 42 T N -1.435 113.203 114.554 0.140 0.000 2.936 42 T HA 0.141 4.491 4.350 -0.000 0.000 0.282 42 T C -0.605 174.233 174.700 0.231 0.000 1.003 42 T CA -0.809 61.394 62.100 0.172 0.000 1.005 42 T CB 0.533 69.499 68.868 0.163 0.000 1.097 42 T HN 0.534 nan 8.240 nan 0.000 0.532 43 Y N 2.718 123.107 120.300 0.149 0.000 2.584 43 Y HA 0.330 4.880 4.550 -0.000 0.000 0.351 43 Y C 0.932 177.000 175.900 0.279 0.000 1.030 43 Y CA -0.301 57.926 58.100 0.211 0.000 1.332 43 Y CB -0.450 38.102 38.460 0.155 0.000 1.148 43 Y HN 0.957 nan 8.280 nan 0.000 0.528 44 T N 2.629 117.174 114.554 -0.015 0.000 2.824 44 T HA 0.124 4.474 4.350 -0.000 0.000 0.277 44 T C 1.055 175.648 174.700 -0.180 0.000 0.975 44 T CA -0.721 61.407 62.100 0.046 0.000 0.966 44 T CB 1.153 70.018 68.868 -0.004 0.000 1.054 44 T HN 0.672 nan 8.240 nan 0.000 0.533 45 L N 0.882 121.817 121.223 -0.480 0.000 2.083 45 L HA -0.028 4.312 4.340 -0.000 0.000 0.209 45 L C 2.459 179.143 176.870 -0.310 0.000 1.083 45 L CA 2.092 56.517 54.840 -0.691 0.000 0.752 45 L CB -1.506 40.026 42.059 -0.879 0.000 0.899 45 L HN 0.930 nan 8.230 nan 0.000 0.433 46 T N -0.924 113.486 114.554 -0.240 0.000 2.746 46 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 46 T C 1.527 176.101 174.700 -0.210 0.000 1.039 46 T CA 1.311 63.296 62.100 -0.191 0.000 1.142 46 T CB -0.493 68.291 68.868 -0.140 0.000 0.866 46 T HN 0.383 nan 8.240 nan 0.000 0.444 47 D N 0.394 120.631 120.400 -0.272 0.000 2.103 47 D HA -0.132 4.508 4.640 -0.000 0.000 0.190 47 D C 1.811 177.989 176.300 -0.203 0.000 0.997 47 D CA 1.321 55.106 54.000 -0.358 0.000 0.833 47 D CB -0.525 39.927 40.800 -0.579 0.000 0.961 47 D HN 0.371 nan 8.370 nan 0.000 0.447 48 Y N 1.640 121.759 120.300 -0.302 0.000 2.097 48 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 48 Y C 2.314 178.179 175.900 -0.058 0.000 1.152 48 Y CA 1.243 59.343 58.100 0.000 0.000 1.136 48 Y CB -0.784 37.752 38.460 0.127 0.000 0.975 48 Y HN -0.071 nan 8.280 nan 0.000 0.498 49 L N -0.092 120.924 121.223 -0.345 0.000 1.976 49 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 49 L C 2.433 179.150 176.870 -0.255 0.000 1.071 49 L CA 1.661 56.224 54.840 -0.461 0.000 0.746 49 L CB -0.653 41.186 42.059 -0.368 0.000 0.890 49 L HN 0.057 nan 8.230 nan 0.000 0.432 50 K N 0.152 120.443 120.400 -0.182 0.000 2.442 50 K HA -0.107 4.213 4.320 -0.000 0.000 0.198 50 K C 0.488 177.026 176.600 -0.102 0.000 1.042 50 K CA 0.275 56.485 56.287 -0.128 0.000 0.958 50 K CB -0.569 31.857 32.500 -0.123 0.000 0.766 50 K HN 0.389 nan 8.250 nan 0.000 0.474 51 N N 0.698 119.344 118.700 -0.090 0.000 2.858 51 N HA -0.151 4.589 4.740 -0.000 0.000 0.247 51 N C 0.016 175.502 175.510 -0.039 0.000 1.092 51 N CA 0.588 53.631 53.050 -0.011 0.000 0.675 51 N CB -0.930 37.558 38.487 0.001 0.000 0.959 51 N HN 0.059 nan 8.380 nan 0.000 0.558 52 T N -0.150 114.315 114.554 -0.149 0.000 2.851 52 T HA -0.023 4.327 4.350 -0.000 0.000 0.262 52 T C 0.028 174.502 174.700 -0.376 0.000 1.043 52 T CA 1.184 63.064 62.100 -0.366 0.000 1.140 52 T CB -0.068 68.413 68.868 -0.644 0.000 0.872 52 T HN 0.359 nan 8.240 nan 0.000 0.446 53 Y N 2.482 122.876 120.300 0.156 0.000 2.593 53 Y HA 0.479 5.029 4.550 -0.000 0.000 0.331 53 Y C 0.221 176.233 175.900 0.187 0.000 0.986 53 Y CA -1.204 57.008 58.100 0.186 0.000 1.262 53 Y CB 0.146 38.767 38.460 0.268 0.000 1.098 53 Y HN -0.103 nan 8.280 nan 0.000 0.506 54 R N 3.176 123.826 120.500 0.250 0.000 2.297 54 R HA 0.519 4.859 4.340 -0.000 0.000 0.308 54 R C -0.861 175.560 176.300 0.202 0.000 1.029 54 R CA -0.778 55.441 56.100 0.198 0.000 0.929 54 R CB 1.038 31.416 30.300 0.131 0.000 1.046 54 R HN 0.563 nan 8.270 nan 0.000 0.461 55 L N 3.493 124.839 121.223 0.205 0.000 2.410 55 L HA 0.166 4.506 4.340 -0.000 0.000 0.273 55 L C 0.547 177.517 176.870 0.167 0.000 1.144 55 L CA -0.159 54.797 54.840 0.195 0.000 0.863 55 L CB 0.094 42.284 42.059 0.218 0.000 1.140 55 L HN 0.301 nan 8.230 nan 0.000 0.463 56 K N 4.441 124.937 120.400 0.160 0.000 2.270 56 K HA 0.493 4.813 4.320 -0.000 0.000 0.276 56 K C -0.399 176.295 176.600 0.156 0.000 1.023 56 K CA -0.337 56.033 56.287 0.138 0.000 0.955 56 K CB 1.378 33.955 32.500 0.129 0.000 0.975 56 K HN 0.429 nan 8.250 nan 0.000 0.471 57 L N 1.445 122.702 121.223 0.057 0.000 2.332 57 L HA 0.393 4.733 4.340 -0.000 0.000 0.269 57 L C -0.583 176.095 176.870 -0.321 0.000 1.016 57 L CA -0.975 53.806 54.840 -0.098 0.000 0.809 57 L CB 0.820 42.867 42.059 -0.021 0.000 1.280 57 L HN 0.490 nan 8.230 nan 0.000 0.447 58 Y N 0.593 120.290 120.300 -1.006 0.000 2.705 58 Y HA 0.339 4.889 4.550 -0.000 0.000 0.355 58 Y C -0.479 175.158 175.900 -0.439 0.000 1.039 58 Y CA -0.398 57.278 58.100 -0.707 0.000 1.233 58 Y CB 1.271 39.154 38.460 -0.961 0.000 1.103 58 Y HN 0.449 nan 8.280 nan 0.000 0.624 59 S N 5.526 121.063 115.700 -0.272 0.000 2.430 59 S HA 0.537 5.007 4.470 -0.000 0.000 0.289 59 S C -0.713 173.768 174.600 -0.200 0.000 1.143 59 S CA -0.542 57.553 58.200 -0.176 0.000 1.067 59 S CB -0.007 63.131 63.200 -0.103 0.000 0.964 59 S HN 0.590 nan 8.310 nan 0.000 0.485 60 L N 2.026 123.083 121.223 -0.276 0.000 2.323 60 L HA 0.872 5.212 4.340 -0.000 0.000 0.265 60 L C -0.637 176.098 176.870 -0.225 0.000 1.012 60 L CA -1.003 53.622 54.840 -0.359 0.000 0.820 60 L CB 1.282 42.791 42.059 -0.917 0.000 1.334 60 L HN 0.258 nan 8.230 nan 0.000 0.427 61 R N 1.239 121.670 120.500 -0.116 0.000 2.371 61 R HA 0.417 4.757 4.340 -0.000 0.000 0.312 61 R C -1.640 174.701 176.300 0.068 0.000 0.980 61 R CA -0.123 55.984 56.100 0.012 0.000 0.867 61 R CB 0.872 31.220 30.300 0.080 0.000 1.163 61 R HN 0.666 nan 8.270 nan 0.000 0.492 62 W N 4.263 125.644 121.300 0.135 0.000 2.257 62 W HA 0.056 4.716 4.660 0.000 0.000 0.337 62 W C 1.183 177.763 176.519 0.102 0.000 1.321 62 W CA -0.230 57.209 57.345 0.156 0.000 1.267 62 W CB 0.339 29.889 29.460 0.150 0.000 1.187 62 W HN 0.659 nan 8.180 nan 0.000 0.565 63 I N 0.184 120.944 120.570 0.316 0.000 4.240 63 I HA 0.316 4.486 4.170 -0.000 0.000 0.331 63 I C 0.724 176.895 176.117 0.090 0.000 1.381 63 I CA -0.067 61.321 61.300 0.146 0.000 1.136 63 I CB -0.125 37.896 38.000 0.035 0.000 1.137 63 I HN 0.240 nan 8.210 nan 0.000 0.411 64 S N -0.728 115.049 115.700 0.128 0.000 3.211 64 S HA 0.335 4.805 4.470 -0.000 0.000 0.320 64 S C -0.035 174.601 174.600 0.059 0.000 1.225 64 S CA -0.083 58.132 58.200 0.024 0.000 1.044 64 S CB 0.862 63.972 63.200 -0.150 0.000 1.410 64 S HN 0.016 nan 8.310 nan 0.000 0.640 65 D N -0.164 120.255 120.400 0.033 0.000 2.346 65 D HA 0.160 4.800 4.640 -0.000 0.000 0.206 65 D C 1.269 177.746 176.300 0.295 0.000 1.001 65 D CA 1.343 55.413 54.000 0.118 0.000 0.871 65 D CB 0.007 40.911 40.800 0.173 0.000 0.943 65 D HN 0.696 nan 8.370 nan 0.000 0.518 66 H N -2.327 116.928 119.070 0.309 0.000 3.643 66 H HA 0.356 4.912 4.556 -0.000 0.000 0.256 66 H C -0.125 175.386 175.328 0.304 0.000 1.107 66 H CA -0.263 56.022 56.048 0.396 0.000 1.175 66 H CB 0.587 30.536 29.762 0.311 0.000 1.519 66 H HN -0.033 nan 8.280 nan 0.000 0.565 67 E N 1.279 121.459 120.200 -0.034 0.000 2.222 67 E HA 0.410 4.760 4.350 -0.000 0.000 0.272 67 E C -1.226 175.494 176.600 0.200 0.000 0.982 67 E CA -1.100 55.299 56.400 -0.001 0.000 0.842 67 E CB 2.125 31.737 29.700 -0.146 0.000 1.144 67 E HN 0.307 nan 8.360 nan 0.000 0.397 68 Y N -0.728 119.586 120.300 0.022 0.000 2.609 68 Y HA 0.595 5.145 4.550 -0.000 0.000 0.342 68 Y C -1.635 174.233 175.900 -0.053 0.000 1.058 68 Y CA -1.437 56.581 58.100 -0.136 0.000 1.055 68 Y CB 0.777 38.828 38.460 -0.681 0.000 1.292 68 Y HN 0.331 nan 8.280 nan 0.000 0.476 69 L N 2.997 124.379 121.223 0.266 0.000 2.322 69 L HA 0.555 4.895 4.340 -0.000 0.000 0.279 69 L C -1.352 175.703 176.870 0.309 0.000 1.036 69 L CA -0.991 54.002 54.840 0.254 0.000 0.807 69 L CB 1.838 44.007 42.059 0.183 0.000 1.226 69 L HN 0.862 nan 8.230 nan 0.000 0.433 70 Y N 2.512 122.897 120.300 0.142 0.000 2.552 70 Y HA 0.310 4.860 4.550 -0.000 0.000 0.337 70 Y C -1.111 174.809 175.900 0.034 0.000 1.094 70 Y CA -1.117 56.959 58.100 -0.040 0.000 1.028 70 Y CB 1.697 39.995 38.460 -0.270 0.000 1.321 70 Y HN 0.393 nan 8.280 nan 0.000 0.456 71 K N 4.201 124.040 120.400 -0.935 0.000 2.263 71 K HA 0.322 4.642 4.320 -0.000 0.000 0.272 71 K C -1.333 174.837 176.600 -0.717 0.000 1.033 71 K CA -0.644 55.276 56.287 -0.612 0.000 0.884 71 K CB 1.179 33.458 32.500 -0.368 0.000 1.107 71 K HN 0.746 nan 8.250 nan 0.000 0.460 72 Q N 3.478 123.128 119.800 -0.250 0.000 2.357 72 Q HA 0.129 4.469 4.340 -0.000 0.000 0.266 72 Q C -0.642 175.332 176.000 -0.043 0.000 1.021 72 Q CA 0.095 55.855 55.803 -0.071 0.000 0.784 72 Q CB 1.096 29.905 28.738 0.119 0.000 1.243 72 Q HN 0.796 nan 8.270 nan 0.000 0.465 73 E N 2.358 122.529 120.200 -0.047 0.000 3.679 73 E HA -0.389 3.961 4.350 -0.000 0.000 0.309 73 E C -0.154 176.417 176.600 -0.049 0.000 1.318 73 E CA 2.444 58.824 56.400 -0.034 0.000 1.822 73 E CB -1.017 28.677 29.700 -0.010 0.000 1.689 73 E HN 0.789 nan 8.360 nan 0.000 0.355 74 N N 0.127 118.802 118.700 -0.042 0.000 2.036 74 N HA 0.105 4.845 4.740 -0.000 0.000 0.228 74 N C -1.124 174.356 175.510 -0.051 0.000 1.368 74 N CA 0.095 53.119 53.050 -0.043 0.000 0.846 74 N CB 0.477 38.947 38.487 -0.027 0.000 1.145 74 N HN 0.290 nan 8.380 nan 0.000 0.502 75 N N 1.558 120.230 118.700 -0.047 0.000 2.493 75 N HA 0.233 4.973 4.740 -0.000 0.000 0.275 75 N C -0.738 174.750 175.510 -0.036 0.000 1.186 75 N CA -0.127 52.895 53.050 -0.046 0.000 0.978 75 N CB 1.627 40.095 38.487 -0.031 0.000 1.184 75 N HN -0.127 nan 8.380 nan 0.000 0.487 76 I N 1.548 122.108 120.570 -0.017 0.000 2.321 76 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 76 I C 0.228 176.429 176.117 0.141 0.000 0.998 76 I CA -0.522 60.803 61.300 0.042 0.000 1.227 76 I CB 0.710 38.725 38.000 0.025 0.000 1.368 76 I HN 0.371 nan 8.210 nan 0.000 0.466 77 L N 6.158 127.499 121.223 0.198 0.000 2.307 77 L HA 0.538 4.878 4.340 -0.000 0.000 0.282 77 L C 0.110 177.145 176.870 0.276 0.000 1.051 77 L CA -0.818 54.161 54.840 0.232 0.000 0.804 77 L CB 2.037 44.303 42.059 0.345 0.000 1.197 77 L HN 0.335 nan 8.230 nan 0.000 0.431 78 V N 3.513 123.479 119.914 0.087 0.000 2.539 78 V HA 0.508 4.628 4.120 -0.000 0.000 0.292 78 V C -0.829 175.207 176.094 -0.097 0.000 1.045 78 V CA -0.178 62.125 62.300 0.006 0.000 0.945 78 V CB 1.535 33.258 31.823 -0.166 0.000 0.993 78 V HN 0.495 nan 8.190 nan 0.000 0.464 79 F N 4.541 124.256 119.950 -0.392 0.000 2.563 79 F HA 0.484 5.011 4.527 -0.000 0.000 0.316 79 F C 0.308 175.844 175.800 -0.441 0.000 1.076 79 F CA -0.705 56.989 58.000 -0.510 0.000 0.921 79 F CB 1.888 40.264 39.000 -1.041 0.000 1.209 79 F HN 0.463 nan 8.300 nan 0.000 0.462 80 N N 1.575 120.216 118.700 -0.099 0.000 2.434 80 N HA 0.279 5.019 4.740 -0.000 0.000 0.272 80 N C 0.342 175.805 175.510 -0.079 0.000 1.040 80 N CA 0.173 53.214 53.050 -0.015 0.000 0.956 80 N CB 1.926 40.466 38.487 0.089 0.000 1.108 80 N HN 0.832 nan 8.380 nan 0.000 0.481 81 A N 3.582 126.313 122.820 -0.148 0.000 2.014 81 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 81 A C 1.823 179.110 177.584 -0.495 0.000 1.163 81 A CA 0.965 52.788 52.037 -0.356 0.000 0.652 81 A CB -0.205 18.409 19.000 -0.644 0.000 0.808 81 A HN 0.854 nan 8.150 nan 0.000 0.449 82 E N -1.759 118.190 120.200 -0.418 0.000 2.112 82 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 82 E C 1.090 177.382 176.600 -0.513 0.000 0.979 82 E CA 1.070 57.185 56.400 -0.475 0.000 0.814 82 E CB 0.010 29.375 29.700 -0.559 0.000 0.762 82 E HN 0.756 nan 8.360 nan 0.000 0.460 83 Y N -1.836 118.441 120.300 -0.039 0.000 2.483 83 Y HA 0.293 4.843 4.550 -0.000 0.000 0.258 83 Y C 1.597 177.483 175.900 -0.023 0.000 1.083 83 Y CA 0.510 58.594 58.100 -0.026 0.000 1.283 83 Y CB 1.376 39.821 38.460 -0.024 0.000 1.178 83 Y HN 0.194 nan 8.280 nan 0.000 0.515 84 G N 0.444 109.309 108.800 0.108 0.000 2.232 84 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.226 84 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.226 84 G C 0.291 175.224 174.900 0.055 0.000 0.996 84 G CA 0.040 45.207 45.100 0.112 0.000 0.626 84 G HN 0.424 nan 8.290 nan 0.000 0.509 85 N N 1.093 119.793 118.700 0.001 0.000 2.371 85 N HA 0.474 5.214 4.740 -0.000 0.000 0.243 85 N C 0.010 175.331 175.510 -0.314 0.000 1.287 85 N CA 1.125 54.105 53.050 -0.118 0.000 0.911 85 N CB 1.168 39.614 38.487 -0.069 0.000 1.142 85 N HN 1.091 nan 8.380 nan 0.000 0.451 86 S N -1.231 114.239 115.700 -0.384 0.000 2.579 86 S HA 0.676 5.146 4.470 -0.000 0.000 0.272 86 S C -1.114 173.296 174.600 -0.318 0.000 1.141 86 S CA -0.916 56.923 58.200 -0.602 0.000 0.843 86 S CB 1.632 64.212 63.200 -1.033 0.000 1.122 86 S HN 0.655 nan 8.310 nan 0.000 0.468 87 S N 0.192 115.739 115.700 -0.255 0.000 2.556 87 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 87 S C -0.785 173.789 174.600 -0.043 0.000 1.135 87 S CA -0.656 57.479 58.200 -0.109 0.000 0.858 87 S CB 1.688 64.856 63.200 -0.053 0.000 1.114 87 S HN 0.768 nan 8.310 nan 0.000 0.468 88 V N 3.233 123.143 119.914 -0.007 0.000 2.655 88 V HA 0.171 4.291 4.120 -0.000 0.000 0.300 88 V C 0.293 176.463 176.094 0.127 0.000 1.044 88 V CA 0.742 63.063 62.300 0.036 0.000 1.095 88 V CB 0.716 32.535 31.823 -0.005 0.000 0.952 88 V HN 0.934 nan 8.190 nan 0.000 0.485 89 F N 4.669 124.594 119.950 -0.041 0.000 2.532 89 F HA 0.458 4.985 4.527 -0.000 0.000 0.278 89 F C 0.462 176.237 175.800 -0.042 0.000 0.975 89 F CA 0.395 58.376 58.000 -0.032 0.000 1.292 89 F CB 0.538 39.532 39.000 -0.010 0.000 1.112 89 F HN 0.210 nan 8.300 nan 0.000 0.703 90 L N 1.902 123.082 121.223 -0.072 0.000 2.441 90 L HA 0.295 4.635 4.340 -0.000 0.000 0.270 90 L C -0.605 176.187 176.870 -0.131 0.000 0.973 90 L CA -0.695 54.032 54.840 -0.189 0.000 0.842 90 L CB 1.848 43.799 42.059 -0.180 0.000 1.239 90 L HN -0.052 nan 8.230 nan 0.000 0.406 91 E N 1.689 121.790 120.200 -0.165 0.000 2.390 91 E HA -0.006 4.344 4.350 -0.000 0.000 0.261 91 E C 0.222 176.743 176.600 -0.131 0.000 1.076 91 E CA -0.170 56.152 56.400 -0.131 0.000 0.905 91 E CB 0.949 30.566 29.700 -0.139 0.000 0.984 91 E HN 0.534 nan 8.360 nan 0.000 0.427 92 N N -0.099 118.549 118.700 -0.087 0.000 2.466 92 N HA -0.092 4.648 4.740 -0.000 0.000 0.211 92 N C 0.443 175.914 175.510 -0.066 0.000 1.256 92 N CA 0.215 53.227 53.050 -0.063 0.000 0.840 92 N CB 0.135 38.597 38.487 -0.040 0.000 1.079 92 N HN 0.227 nan 8.380 nan 0.000 0.466 93 S N -3.282 112.350 115.700 -0.112 0.000 2.817 93 S HA 0.068 4.538 4.470 -0.000 0.000 0.262 93 S C 0.911 175.391 174.600 -0.200 0.000 1.051 93 S CA -0.298 57.835 58.200 -0.112 0.000 1.185 93 S CB -0.642 62.503 63.200 -0.091 0.000 1.152 93 S HN 0.129 nan 8.310 nan 0.000 0.653 94 T N 1.045 115.390 114.554 -0.350 0.000 3.007 94 T HA 0.215 4.565 4.350 -0.000 0.000 0.270 94 T C 0.171 174.296 174.700 -0.958 0.000 1.107 94 T CA 0.762 62.458 62.100 -0.673 0.000 1.118 94 T CB -0.542 67.779 68.868 -0.911 0.000 0.889 94 T HN 0.549 nan 8.240 nan 0.000 0.506 95 F N 0.739 120.584 119.950 -0.174 0.000 2.818 95 F HA 0.373 4.900 4.527 -0.000 0.000 0.369 95 F C 1.139 176.913 175.800 -0.042 0.000 1.327 95 F CA -0.928 56.978 58.000 -0.156 0.000 1.211 95 F CB 0.377 39.215 39.000 -0.270 0.000 1.036 95 F HN -0.052 nan 8.300 nan 0.000 0.510 96 D N 0.884 121.309 120.400 0.042 0.000 2.077 96 D HA -0.103 4.537 4.640 -0.000 0.000 0.196 96 D C 0.522 176.860 176.300 0.063 0.000 0.986 96 D CA 1.417 55.438 54.000 0.035 0.000 0.829 96 D CB 0.275 41.066 40.800 -0.014 0.000 0.983 96 D HN 0.220 nan 8.370 nan 0.000 0.453 97 E N -0.364 119.872 120.200 0.060 0.000 1.861 97 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 97 E C -0.302 176.418 176.600 0.200 0.000 1.137 97 E CA -0.102 56.343 56.400 0.076 0.000 0.944 97 E CB 0.054 29.776 29.700 0.038 0.000 1.092 97 E HN 0.141 nan 8.360 nan 0.000 0.420 98 F N 0.127 120.069 119.950 -0.013 0.000 2.885 98 F HA 0.236 4.763 4.527 -0.000 0.000 0.389 98 F C 1.322 177.063 175.800 -0.099 0.000 0.904 98 F CA 0.808 58.795 58.000 -0.022 0.000 1.047 98 F CB 0.478 39.480 39.000 0.003 0.000 1.113 98 F HN 0.422 nan 8.300 nan 0.000 0.579 99 G N 1.874 110.577 108.800 -0.162 0.000 2.225 99 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.267 99 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.267 99 G C -0.380 174.125 174.900 -0.658 0.000 1.024 99 G CA 0.823 45.708 45.100 -0.358 0.000 0.784 99 G HN 0.611 nan 8.290 nan 0.000 0.507 100 H N -0.859 118.035 119.070 -0.293 0.000 3.042 100 H HA 0.448 5.004 4.556 -0.000 0.000 0.345 100 H C -0.337 174.956 175.328 -0.058 0.000 1.052 100 H CA -0.130 55.733 56.048 -0.309 0.000 1.311 100 H CB 1.604 30.857 29.762 -0.849 0.000 1.810 100 H HN 0.271 nan 8.280 nan 0.000 0.505 101 S N 3.606 119.374 115.700 0.113 0.000 2.510 101 S HA 0.262 4.732 4.470 -0.000 0.000 0.279 101 S C 0.265 174.947 174.600 0.137 0.000 1.284 101 S CA -0.531 57.733 58.200 0.106 0.000 1.059 101 S CB -0.347 62.897 63.200 0.073 0.000 0.901 101 S HN 0.382 nan 8.310 nan 0.000 0.491 102 I N 5.026 125.658 120.570 0.103 0.000 2.428 102 I HA 0.306 4.476 4.170 -0.000 0.000 0.289 102 I C 1.267 177.419 176.117 0.059 0.000 1.019 102 I CA -0.112 61.240 61.300 0.086 0.000 1.351 102 I CB 1.505 39.498 38.000 -0.012 0.000 1.412 102 I HN 0.899 nan 8.210 nan 0.000 0.513 103 N N 2.533 121.261 118.700 0.047 0.000 2.545 103 N HA 0.049 4.789 4.740 -0.000 0.000 0.190 103 N C 0.127 175.623 175.510 -0.024 0.000 1.043 103 N CA 0.419 53.449 53.050 -0.032 0.000 0.879 103 N CB 0.484 38.915 38.487 -0.093 0.000 1.210 103 N HN 0.672 nan 8.380 nan 0.000 0.437 104 D N -2.256 118.168 120.400 0.040 0.000 3.057 104 D HA 0.283 4.923 4.640 -0.000 0.000 0.328 104 D C -1.764 174.672 176.300 0.226 0.000 1.317 104 D CA -0.346 53.701 54.000 0.077 0.000 0.973 104 D CB 0.950 41.739 40.800 -0.019 0.000 1.424 104 D HN 0.097 nan 8.370 nan 0.000 0.569 105 Y N -1.957 118.395 120.300 0.086 0.000 2.583 105 Y HA 0.586 5.136 4.550 -0.000 0.000 0.330 105 Y C -1.532 174.483 175.900 0.192 0.000 1.185 105 Y CA -0.949 57.226 58.100 0.125 0.000 1.107 105 Y CB 0.762 39.285 38.460 0.104 0.000 1.344 105 Y HN 0.176 nan 8.280 nan 0.000 0.463 106 S N 3.157 119.072 115.700 0.358 0.000 2.541 106 S HA 0.789 5.259 4.470 -0.000 0.000 0.280 106 S C -1.810 173.140 174.600 0.582 0.000 1.112 106 S CA -0.641 57.795 58.200 0.393 0.000 0.925 106 S CB 1.078 64.508 63.200 0.383 0.000 1.067 106 S HN 0.635 nan 8.310 nan 0.000 0.479 107 I N 4.109 124.902 120.570 0.371 0.000 2.378 107 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 107 I C 0.513 176.423 176.117 -0.344 0.000 0.992 107 I CA -0.417 60.972 61.300 0.147 0.000 1.154 107 I CB 1.650 39.766 38.000 0.193 0.000 1.315 107 I HN 0.803 nan 8.210 nan 0.000 0.448 108 S N 7.302 122.505 115.700 -0.830 0.000 2.562 108 S HA 0.228 4.698 4.470 -0.000 0.000 0.281 108 S C -2.205 172.077 174.600 -0.530 0.000 1.333 108 S CA -1.037 56.362 58.200 -1.334 0.000 1.052 108 S CB 0.218 62.587 63.200 -1.385 0.000 0.884 108 S HN 0.411 nan 8.310 nan 0.000 0.506 109 P HA 0.130 nan 4.420 nan 0.000 0.286 109 P C -0.387 176.828 177.300 -0.141 0.000 1.577 109 P CA 0.455 63.444 63.100 -0.185 0.000 0.805 109 P CB -0.596 31.022 31.700 -0.136 0.000 1.706 110 D N -4.021 116.289 120.400 -0.149 0.000 2.755 110 D HA 0.108 4.748 4.640 -0.000 0.000 0.293 110 D C 1.153 177.395 176.300 -0.096 0.000 1.642 110 D CA -0.164 53.781 54.000 -0.092 0.000 0.825 110 D CB -0.969 39.797 40.800 -0.057 0.000 1.303 110 D HN 0.039 nan 8.370 nan 0.000 0.434 111 G N 0.775 109.512 108.800 -0.106 0.000 2.200 111 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.267 111 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.267 111 G C 0.899 175.759 174.900 -0.067 0.000 0.993 111 G CA 1.174 46.248 45.100 -0.044 0.000 0.701 111 G HN 0.479 nan 8.290 nan 0.000 0.524 112 Q N -1.632 118.037 119.800 -0.219 0.000 2.165 112 Q HA 0.378 4.718 4.340 -0.000 0.000 0.197 112 Q C 0.316 175.835 176.000 -0.802 0.000 0.952 112 Q CA 0.754 56.231 55.803 -0.544 0.000 0.848 112 Q CB 0.225 28.558 28.738 -0.676 0.000 0.931 112 Q HN 0.562 nan 8.270 nan 0.000 0.470 113 F N -0.777 119.140 119.950 -0.055 0.000 2.588 113 F HA 0.457 4.984 4.527 -0.000 0.000 0.314 113 F C -0.631 175.259 175.800 0.151 0.000 1.069 113 F CA -1.276 56.756 58.000 0.054 0.000 0.931 113 F CB 1.448 40.536 39.000 0.147 0.000 1.260 113 F HN -0.168 nan 8.300 nan 0.000 0.465 114 I N 2.959 123.826 120.570 0.495 0.000 2.406 114 I HA 0.428 4.598 4.170 -0.000 0.000 0.290 114 I C -1.463 174.953 176.117 0.499 0.000 0.999 114 I CA -0.517 61.072 61.300 0.483 0.000 1.124 114 I CB 0.983 39.217 38.000 0.390 0.000 1.289 114 I HN 0.532 nan 8.210 nan 0.000 0.441 115 L N 8.032 129.592 121.223 0.562 0.000 2.326 115 L HA 0.457 4.797 4.340 -0.000 0.000 0.278 115 L C -1.232 175.793 176.870 0.258 0.000 1.092 115 L CA -0.638 54.410 54.840 0.346 0.000 0.810 115 L CB 1.123 43.316 42.059 0.223 0.000 1.153 115 L HN 0.628 nan 8.230 nan 0.000 0.439 116 L N 4.756 126.073 121.223 0.157 0.000 2.349 116 L HA 0.405 4.745 4.340 -0.000 0.000 0.278 116 L C -0.241 176.680 176.870 0.085 0.000 0.996 116 L CA -0.282 54.593 54.840 0.059 0.000 0.825 116 L CB 1.806 43.729 42.059 -0.227 0.000 1.243 116 L HN 0.537 nan 8.230 nan 0.000 0.412 117 E N 3.935 124.147 120.200 0.020 0.000 2.081 117 E HA 0.381 4.731 4.350 -0.000 0.000 0.281 117 E C -1.459 175.088 176.600 -0.088 0.000 0.986 117 E CA -0.496 55.740 56.400 -0.274 0.000 0.796 117 E CB 0.742 30.367 29.700 -0.125 0.000 1.085 117 E HN 0.478 nan 8.360 nan 0.000 0.398 118 Y N 1.979 122.130 120.300 -0.248 0.000 2.790 118 Y HA 0.479 5.029 4.550 -0.000 0.000 0.323 118 Y C 0.127 175.958 175.900 -0.116 0.000 1.230 118 Y CA -1.512 56.523 58.100 -0.107 0.000 1.121 118 Y CB 0.502 38.951 38.460 -0.018 0.000 1.328 118 Y HN 0.422 nan 8.280 nan 0.000 0.514 119 N N -0.462 118.315 118.700 0.127 0.000 2.721 119 N HA -0.309 4.431 4.740 -0.000 0.000 0.249 119 N C -1.026 174.497 175.510 0.022 0.000 1.072 119 N CA 1.000 54.072 53.050 0.036 0.000 0.710 119 N CB -1.718 36.708 38.487 -0.102 0.000 0.993 119 N HN 0.869 nan 8.380 nan 0.000 0.547 120 Y N -0.043 120.216 120.300 -0.068 0.000 2.620 120 Y HA 0.294 4.844 4.550 -0.000 0.000 0.330 120 Y C 0.058 175.941 175.900 -0.028 0.000 1.186 120 Y CA -0.098 57.959 58.100 -0.073 0.000 1.467 120 Y CB 0.722 39.085 38.460 -0.162 0.000 1.262 120 Y HN -0.032 nan 8.280 nan 0.000 0.550 121 V N 7.833 127.424 119.914 -0.539 0.000 2.419 121 V HA 0.200 4.320 4.120 -0.000 0.000 0.287 121 V C -0.298 175.436 176.094 -0.600 0.000 1.017 121 V CA -1.394 60.663 62.300 -0.405 0.000 0.844 121 V CB 1.273 32.988 31.823 -0.181 0.000 1.011 121 V HN 0.744 nan 8.190 nan 0.000 0.429 122 K N 2.957 123.047 120.400 -0.516 0.000 2.436 122 K HA 0.181 4.501 4.320 -0.000 0.000 0.275 122 K C 0.451 176.876 176.600 -0.291 0.000 0.999 122 K CA 0.284 56.376 56.287 -0.325 0.000 0.980 122 K CB 1.054 33.544 32.500 -0.016 0.000 0.919 122 K HN 0.781 nan 8.250 nan 0.000 0.484 123 Q N 2.255 121.847 119.800 -0.345 0.000 2.729 123 Q HA 0.141 4.481 4.340 -0.000 0.000 0.228 123 Q C 0.090 175.762 176.000 -0.547 0.000 1.021 123 Q CA -0.194 55.191 55.803 -0.696 0.000 0.561 123 Q CB 0.093 28.248 28.738 -0.971 0.000 3.921 123 Q HN 0.648 nan 8.270 nan 0.000 0.430 124 W N 0.252 121.535 121.300 -0.028 0.000 1.763 124 W HA 0.338 4.998 4.660 -0.000 0.000 0.619 124 W C 1.809 178.300 176.519 -0.046 0.000 1.755 124 W CA -0.703 56.646 57.345 0.006 0.000 1.933 124 W CB -0.144 29.277 29.460 -0.065 0.000 3.002 124 W HN 0.272 nan 8.180 nan 0.000 0.782 125 R N -0.704 119.873 120.500 0.129 0.000 2.096 125 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 125 R C 1.735 177.855 176.300 -0.300 0.000 1.127 125 R CA 1.745 57.743 56.100 -0.169 0.000 0.968 125 R CB -0.346 29.715 30.300 -0.398 0.000 0.861 125 R HN 0.502 nan 8.270 nan 0.000 0.440 126 H N -1.445 117.687 119.070 0.103 0.000 2.927 126 H HA 0.165 4.721 4.556 -0.000 0.000 0.255 126 H C 0.568 175.974 175.328 0.129 0.000 0.974 126 H CA 0.440 56.568 56.048 0.132 0.000 1.199 126 H CB 0.350 30.164 29.762 0.087 0.000 1.447 126 H HN 0.135 nan 8.280 nan 0.000 0.467 127 S N 1.221 116.897 115.700 -0.040 0.000 2.592 127 S HA 0.403 4.873 4.470 -0.000 0.000 0.271 127 S C -0.228 174.261 174.600 -0.185 0.000 1.326 127 S CA -0.481 57.395 58.200 -0.540 0.000 1.024 127 S CB 0.873 63.214 63.200 -1.431 0.000 0.921 127 S HN 0.463 nan 8.310 nan 0.000 0.527 128 Y N -2.192 117.955 120.300 -0.253 0.000 2.895 128 Y HA 0.716 5.266 4.550 -0.000 0.000 0.339 128 Y C -1.081 174.799 175.900 -0.035 0.000 1.363 128 Y CA -1.154 56.797 58.100 -0.249 0.000 1.085 128 Y CB 0.595 38.820 38.460 -0.390 0.000 1.500 128 Y HN 0.777 nan 8.280 nan 0.000 0.442 129 T N -0.092 114.521 114.554 0.098 0.000 2.886 129 T HA 0.949 5.299 4.350 -0.000 0.000 0.292 129 T C -0.701 174.084 174.700 0.141 0.000 1.012 129 T CA -0.191 61.977 62.100 0.113 0.000 0.982 129 T CB 1.669 70.560 68.868 0.038 0.000 1.018 129 T HN 1.452 nan 8.240 nan 0.000 0.451 130 A N 1.652 124.554 122.820 0.136 0.000 2.569 130 A HA 0.894 5.214 4.320 -0.000 0.000 0.290 130 A C -0.311 177.110 177.584 -0.273 0.000 1.136 130 A CA -0.961 51.007 52.037 -0.114 0.000 0.710 130 A CB 1.482 20.321 19.000 -0.268 0.000 1.303 130 A HN 0.780 nan 8.150 nan 0.000 0.413 131 S N -0.613 114.723 115.700 -0.607 0.000 2.646 131 S HA 0.732 5.202 4.470 -0.000 0.000 0.276 131 S C -1.441 172.532 174.600 -1.045 0.000 1.222 131 S CA 0.027 57.766 58.200 -0.769 0.000 1.014 131 S CB 0.451 63.001 63.200 -1.083 0.000 0.991 131 S HN 0.439 nan 8.310 nan 0.000 0.533 132 Y N 0.129 120.126 120.300 -0.504 0.000 2.470 132 Y HA 0.447 4.997 4.550 -0.000 0.000 0.341 132 Y C -0.550 175.293 175.900 -0.096 0.000 1.021 132 Y CA -0.970 56.966 58.100 -0.274 0.000 1.025 132 Y CB 1.757 40.055 38.460 -0.270 0.000 1.266 132 Y HN 0.532 nan 8.280 nan 0.000 0.448 133 D N 2.264 122.801 120.400 0.228 0.000 2.433 133 D HA 0.691 5.331 4.640 -0.000 0.000 0.236 133 D C -0.993 175.371 176.300 0.106 0.000 1.026 133 D CA -0.342 53.770 54.000 0.185 0.000 0.884 133 D CB 1.967 42.954 40.800 0.312 0.000 1.384 133 D HN 0.338 nan 8.370 nan 0.000 0.477 134 I N 1.112 121.741 120.570 0.098 0.000 2.603 134 I HA 0.395 4.565 4.170 -0.000 0.000 0.300 134 I C -1.250 175.027 176.117 0.268 0.000 1.017 134 I CA -1.069 60.327 61.300 0.160 0.000 1.098 134 I CB 1.456 39.503 38.000 0.078 0.000 1.279 134 I HN 0.249 nan 8.210 nan 0.000 0.437 135 Y N 4.054 124.466 120.300 0.187 0.000 2.326 135 Y HA 0.316 4.866 4.550 -0.000 0.000 0.329 135 Y C -0.422 175.659 175.900 0.302 0.000 0.973 135 Y CA -1.175 57.042 58.100 0.196 0.000 1.162 135 Y CB 1.115 39.681 38.460 0.176 0.000 1.147 135 Y HN 0.514 nan 8.280 nan 0.000 0.456 136 D N 6.036 126.445 120.400 0.014 0.000 2.363 136 D HA 0.040 4.680 4.640 -0.000 0.000 0.263 136 D C 0.875 176.918 176.300 -0.428 0.000 1.258 136 D CA 0.600 54.593 54.000 -0.012 0.000 0.907 136 D CB 0.914 41.745 40.800 0.052 0.000 1.107 136 D HN 0.867 nan 8.370 nan 0.000 0.495 137 L N 3.835 124.855 121.223 -0.339 0.000 2.240 137 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 137 L C 1.911 178.612 176.870 -0.281 0.000 1.106 137 L CA 0.360 55.020 54.840 -0.301 0.000 0.793 137 L CB -0.118 41.839 42.059 -0.170 0.000 0.927 137 L HN 0.335 nan 8.230 nan 0.000 0.446 138 N N 0.577 119.111 118.700 -0.276 0.000 2.148 138 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 138 N C 1.457 176.863 175.510 -0.174 0.000 1.031 138 N CA 1.242 54.173 53.050 -0.200 0.000 0.848 138 N CB 0.119 38.490 38.487 -0.193 0.000 1.005 138 N HN 0.122 nan 8.380 nan 0.000 0.427 139 K N 0.849 121.138 120.400 -0.185 0.000 2.487 139 K HA 0.112 4.432 4.320 -0.000 0.000 0.192 139 K C -0.087 176.407 176.600 -0.176 0.000 1.027 139 K CA -0.012 56.190 56.287 -0.141 0.000 1.054 139 K CB 0.130 32.572 32.500 -0.097 0.000 0.824 139 K HN 0.183 nan 8.250 nan 0.000 0.510 140 R N 0.970 121.298 120.500 -0.288 0.000 3.516 140 R HA -0.251 4.089 4.340 -0.000 0.000 0.271 140 R C -1.187 174.917 176.300 -0.327 0.000 1.098 140 R CA 0.800 56.703 56.100 -0.327 0.000 0.732 140 R CB -2.165 28.076 30.300 -0.097 0.000 1.152 140 R HN 0.296 nan 8.270 nan 0.000 0.455 141 Q N 0.900 120.384 119.800 -0.527 0.000 2.305 141 Q HA 0.365 4.705 4.340 -0.000 0.000 0.271 141 Q C -0.685 175.309 176.000 -0.010 0.000 1.046 141 Q CA -1.013 54.723 55.803 -0.112 0.000 0.798 141 Q CB 1.658 30.377 28.738 -0.033 0.000 1.286 141 Q HN 0.348 nan 8.270 nan 0.000 0.435 142 L N 1.349 122.805 121.223 0.389 0.000 2.349 142 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 142 L C -0.535 176.456 176.870 0.203 0.000 1.115 142 L CA -0.197 54.885 54.840 0.403 0.000 0.820 142 L CB 0.273 42.582 42.059 0.416 0.000 1.135 142 L HN 0.434 nan 8.230 nan 0.000 0.445 143 I N 3.294 123.953 120.570 0.148 0.000 2.634 143 I HA 0.181 4.351 4.170 -0.000 0.000 0.284 143 I C 1.549 177.706 176.117 0.067 0.000 1.124 143 I CA 0.946 62.291 61.300 0.074 0.000 1.417 143 I CB 1.437 39.449 38.000 0.019 0.000 1.396 143 I HN 0.975 nan 8.210 nan 0.000 0.571 144 T N 0.183 114.761 114.554 0.040 0.000 2.955 144 T HA 0.267 4.617 4.350 -0.000 0.000 0.251 144 T C 0.262 174.961 174.700 -0.002 0.000 1.002 144 T CA -0.354 61.764 62.100 0.030 0.000 0.970 144 T CB -0.164 68.727 68.868 0.039 0.000 1.091 144 T HN 0.487 nan 8.240 nan 0.000 0.495 145 E N 1.868 122.060 120.200 -0.014 0.000 2.249 145 E HA 0.558 4.908 4.350 -0.000 0.000 0.280 145 E C -0.581 175.984 176.600 -0.058 0.000 1.016 145 E CA -0.681 55.700 56.400 -0.031 0.000 0.830 145 E CB 0.630 30.315 29.700 -0.024 0.000 1.081 145 E HN 0.229 nan 8.360 nan 0.000 0.395 146 E N 1.079 121.236 120.200 -0.071 0.000 2.291 146 E HA -0.260 4.090 4.350 -0.000 0.000 0.181 146 E C -0.788 175.728 176.600 -0.140 0.000 1.480 146 E CA 0.382 56.720 56.400 -0.103 0.000 0.674 146 E CB -0.779 28.862 29.700 -0.098 0.000 1.108 146 E HN 0.380 nan 8.360 nan 0.000 0.357 147 R N 0.779 121.192 120.500 -0.145 0.000 2.615 147 R HA 0.309 4.649 4.340 -0.000 0.000 0.270 147 R C 0.646 176.766 176.300 -0.301 0.000 1.081 147 R CA -0.608 55.387 56.100 -0.174 0.000 1.154 147 R CB 0.625 30.856 30.300 -0.114 0.000 1.063 147 R HN 0.295 nan 8.270 nan 0.000 0.519 148 I N 5.317 125.662 120.570 -0.375 0.000 2.598 148 I HA 0.038 4.208 4.170 -0.000 0.000 0.284 148 I C -1.555 174.268 176.117 -0.490 0.000 1.140 148 I CA -1.417 59.517 61.300 -0.611 0.000 1.420 148 I CB 0.763 38.390 38.000 -0.621 0.000 1.387 148 I HN 0.363 nan 8.210 nan 0.000 0.553 149 P HA 0.068 nan 4.420 nan 0.000 0.272 149 P C -0.691 176.382 177.300 -0.379 0.000 1.230 149 P CA -0.421 62.295 63.100 -0.640 0.000 0.788 149 P CB 0.564 31.453 31.700 -1.351 0.000 0.949 150 N N 1.962 120.542 118.700 -0.200 0.000 2.415 150 N HA -0.012 4.728 4.740 -0.000 0.000 0.248 150 N C 0.529 176.136 175.510 0.163 0.000 1.271 150 N CA 0.294 53.318 53.050 -0.045 0.000 0.913 150 N CB -0.367 38.104 38.487 -0.027 0.000 1.129 150 N HN 0.450 nan 8.380 nan 0.000 0.444 151 N N -1.103 117.669 118.700 0.121 0.000 2.738 151 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 151 N C -0.924 174.775 175.510 0.315 0.000 1.047 151 N CA 0.571 53.727 53.050 0.176 0.000 0.707 151 N CB -1.883 36.690 38.487 0.143 0.000 0.937 151 N HN 0.447 nan 8.380 nan 0.000 0.545 152 T N 0.838 115.573 114.554 0.301 0.000 2.832 152 T HA 0.143 4.493 4.350 -0.000 0.000 0.296 152 T C 1.709 176.565 174.700 0.260 0.000 0.968 152 T CA -0.170 62.130 62.100 0.334 0.000 1.107 152 T CB 1.636 70.640 68.868 0.228 0.000 0.916 152 T HN 0.192 nan 8.240 nan 0.000 0.517 153 Q N 1.781 121.713 119.800 0.220 0.000 2.123 153 Q HA 0.113 4.453 4.340 -0.000 0.000 0.199 153 Q C 0.116 176.260 176.000 0.239 0.000 0.966 153 Q CA 0.944 56.881 55.803 0.224 0.000 0.845 153 Q CB 0.484 29.269 28.738 0.080 0.000 0.907 153 Q HN 0.695 nan 8.270 nan 0.000 0.439 154 W N -1.031 120.203 121.300 -0.109 0.000 3.275 154 W HA 0.495 5.155 4.660 -0.000 0.000 0.306 154 W C -2.145 174.270 176.519 -0.172 0.000 1.259 154 W CA -0.819 56.425 57.345 -0.169 0.000 1.194 154 W CB 1.287 30.595 29.460 -0.254 0.000 1.375 154 W HN -0.303 nan 8.180 nan 0.000 0.564 155 V N 3.956 123.128 119.914 -1.237 0.000 2.852 155 V HA 0.652 4.772 4.120 -0.000 0.000 0.300 155 V C -1.662 173.833 176.094 -0.998 0.000 1.205 155 V CA 0.029 61.772 62.300 -0.929 0.000 0.940 155 V CB 1.990 33.191 31.823 -1.036 0.000 1.047 155 V HN 0.603 nan 8.190 nan 0.000 0.429 156 T N 5.986 120.263 114.554 -0.461 0.000 3.032 156 T HA 0.540 4.890 4.350 -0.000 0.000 0.312 156 T C -0.881 173.860 174.700 0.070 0.000 1.078 156 T CA -0.269 61.740 62.100 -0.151 0.000 1.028 156 T CB 0.781 69.769 68.868 0.200 0.000 1.091 156 T HN 0.734 nan 8.240 nan 0.000 0.457 157 W N 3.307 124.623 121.300 0.027 0.000 2.089 157 W HA 0.373 5.033 4.660 -0.000 0.000 0.355 157 W C 1.341 177.621 176.519 -0.397 0.000 1.305 157 W CA -0.447 56.846 57.345 -0.088 0.000 1.281 157 W CB 0.461 29.879 29.460 -0.071 0.000 1.183 157 W HN 0.818 nan 8.180 nan 0.000 0.604 158 S N 1.186 116.536 115.700 -0.584 0.000 2.589 158 S HA 0.114 4.584 4.470 -0.000 0.000 0.265 158 S C -1.853 172.472 174.600 -0.458 0.000 1.342 158 S CA -0.996 56.424 58.200 -1.301 0.000 1.005 158 S CB 0.716 63.165 63.200 -1.252 0.000 0.909 158 S HN 0.261 nan 8.310 nan 0.000 0.555 159 P HA 0.006 nan 4.420 nan 0.000 0.217 159 P C 0.532 177.763 177.300 -0.114 0.000 1.150 159 P CA 0.852 63.891 63.100 -0.102 0.000 0.832 159 P CB -0.163 31.520 31.700 -0.028 0.000 0.787 160 V N -5.806 114.009 119.914 -0.165 0.000 2.994 160 V HA 0.868 4.988 4.120 -0.000 0.000 0.318 160 V C 0.605 176.573 176.094 -0.211 0.000 1.085 160 V CA -0.301 61.910 62.300 -0.149 0.000 0.998 160 V CB 0.665 32.420 31.823 -0.114 0.000 1.063 160 V HN 0.482 nan 8.190 nan 0.000 0.447 161 G N 2.539 111.213 108.800 -0.209 0.000 2.552 161 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.265 161 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.265 161 G C 0.002 174.739 174.900 -0.272 0.000 1.234 161 G CA 1.193 46.092 45.100 -0.334 0.000 0.944 161 G HN 2.669 nan 8.290 nan 0.000 0.568 162 H N -1.131 117.956 119.070 0.028 0.000 2.777 162 H HA 0.581 5.137 4.556 -0.000 0.000 0.244 162 H C 0.344 175.842 175.328 0.283 0.000 1.185 162 H CA -0.170 55.975 56.048 0.162 0.000 0.945 162 H CB -0.217 29.709 29.762 0.272 0.000 1.994 162 H HN 0.533 nan 8.280 nan 0.000 0.638 163 K N 1.582 122.068 120.400 0.143 0.000 2.368 163 K HA 0.296 4.616 4.320 -0.000 0.000 0.282 163 K C -0.474 176.229 176.600 0.171 0.000 1.035 163 K CA -0.219 56.142 56.287 0.123 0.000 0.973 163 K CB 1.100 33.557 32.500 -0.071 0.000 0.957 163 K HN 0.225 nan 8.250 nan 0.000 0.474 164 L N 1.897 123.224 121.223 0.174 0.000 2.352 164 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 164 L C -0.166 176.930 176.870 0.377 0.000 1.034 164 L CA -0.721 54.159 54.840 0.067 0.000 0.806 164 L CB 1.792 43.717 42.059 -0.224 0.000 1.244 164 L HN 0.675 nan 8.230 nan 0.000 0.447 165 A N 1.427 124.483 122.820 0.392 0.000 2.454 165 A HA 0.852 5.172 4.320 -0.000 0.000 0.302 165 A C -1.629 176.059 177.584 0.173 0.000 1.079 165 A CA -0.403 51.802 52.037 0.279 0.000 0.731 165 A CB 1.599 20.688 19.000 0.148 0.000 1.299 165 A HN 0.686 nan 8.150 nan 0.000 0.413 166 Y N -1.577 118.689 120.300 -0.056 0.000 2.609 166 Y HA 0.719 5.269 4.550 -0.000 0.000 0.336 166 Y C -1.445 174.449 175.900 -0.010 0.000 1.129 166 Y CA -1.414 56.612 58.100 -0.124 0.000 1.040 166 Y CB 1.160 39.464 38.460 -0.260 0.000 1.310 166 Y HN 0.440 nan 8.280 nan 0.000 0.460 167 V N 2.386 122.336 119.914 0.060 0.000 2.448 167 V HA 0.397 4.517 4.120 -0.000 0.000 0.295 167 V C -1.371 174.814 176.094 0.151 0.000 1.025 167 V CA -0.578 61.737 62.300 0.025 0.000 0.859 167 V CB 1.225 33.044 31.823 -0.006 0.000 0.988 167 V HN 0.876 nan 8.190 nan 0.000 0.431 168 W N 4.928 126.154 121.300 -0.123 0.000 3.097 168 W HA 0.447 5.107 4.660 -0.000 0.000 0.335 168 W C 0.205 176.669 176.519 -0.092 0.000 1.114 168 W CA -0.728 56.553 57.345 -0.106 0.000 1.231 168 W CB 1.245 30.601 29.460 -0.173 0.000 1.388 168 W HN 0.771 nan 8.180 nan 0.000 0.485 169 N N 5.980 124.204 118.700 -0.794 0.000 2.707 169 N HA -0.370 4.370 4.740 -0.000 0.000 0.253 169 N C 0.073 175.389 175.510 -0.323 0.000 0.998 169 N CA 1.032 53.682 53.050 -0.667 0.000 0.751 169 N CB -0.921 36.974 38.487 -0.987 0.000 0.920 169 N HN 0.777 nan 8.380 nan 0.000 0.539 170 N N -1.664 116.928 118.700 -0.180 0.000 2.800 170 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 170 N C -1.332 174.115 175.510 -0.104 0.000 1.078 170 N CA 1.198 54.182 53.050 -0.111 0.000 0.804 170 N CB -0.322 38.071 38.487 -0.156 0.000 1.135 170 N HN 0.492 nan 8.380 nan 0.000 0.565 171 D N 0.377 120.731 120.400 -0.076 0.000 2.671 171 D HA 0.470 5.110 4.640 -0.000 0.000 0.232 171 D C 0.178 176.434 176.300 -0.074 0.000 1.114 171 D CA -0.425 53.507 54.000 -0.114 0.000 0.858 171 D CB 1.688 42.403 40.800 -0.143 0.000 1.544 171 D HN 0.000 nan 8.370 nan 0.000 0.471 172 I N 1.697 122.093 120.570 -0.289 0.000 2.474 172 I HA 0.156 4.326 4.170 -0.000 0.000 0.287 172 I C -0.610 175.276 176.117 -0.385 0.000 1.048 172 I CA -0.069 61.041 61.300 -0.316 0.000 1.383 172 I CB 0.337 38.041 38.000 -0.493 0.000 1.412 172 I HN 0.135 nan 8.210 nan 0.000 0.531 173 Y N 4.243 124.207 120.300 -0.559 0.000 2.512 173 Y HA 0.614 5.163 4.550 -0.000 0.000 0.348 173 Y C -0.427 175.283 175.900 -0.317 0.000 0.990 173 Y CA -1.008 56.754 58.100 -0.564 0.000 1.033 173 Y CB 2.069 39.850 38.460 -1.131 0.000 1.259 173 Y HN 0.096 nan 8.280 nan 0.000 0.461 174 V N 3.477 123.425 119.914 0.057 0.000 2.443 174 V HA 0.378 4.497 4.120 -0.000 0.000 0.293 174 V C -0.610 175.609 176.094 0.209 0.000 1.021 174 V CA -1.371 61.044 62.300 0.192 0.000 0.848 174 V CB 1.575 33.532 31.823 0.223 0.000 0.998 174 V HN 0.598 nan 8.190 nan 0.000 0.424 175 K N 4.523 125.053 120.400 0.218 0.000 2.234 175 K HA 0.472 4.792 4.320 -0.000 0.000 0.277 175 K C 0.463 177.157 176.600 0.157 0.000 1.038 175 K CA -0.614 55.737 56.287 0.108 0.000 0.888 175 K CB 1.647 34.172 32.500 0.042 0.000 1.091 175 K HN 0.472 nan 8.250 nan 0.000 0.467 176 I N 1.453 122.112 120.570 0.150 0.000 2.277 176 I HA -0.087 4.083 4.170 -0.000 0.000 0.243 176 I C 0.615 176.849 176.117 0.195 0.000 1.094 176 I CA 1.464 62.888 61.300 0.206 0.000 1.393 176 I CB -0.127 38.021 38.000 0.248 0.000 1.078 176 I HN 0.552 nan 8.210 nan 0.000 0.417 177 E N 0.416 120.673 120.200 0.094 0.000 2.256 177 E HA 0.270 4.620 4.350 -0.000 0.000 0.267 177 E C -2.021 174.503 176.600 -0.128 0.000 0.892 177 E CA -1.995 54.405 56.400 0.001 0.000 0.775 177 E CB 1.402 31.089 29.700 -0.021 0.000 1.207 177 E HN -0.129 nan 8.360 nan 0.000 0.420 178 P HA -0.147 nan 4.420 nan 0.000 0.231 178 P C 0.390 177.552 177.300 -0.230 0.000 1.154 178 P CA 1.255 64.151 63.100 -0.340 0.000 0.762 178 P CB 0.091 31.366 31.700 -0.708 0.000 0.790 179 N N -2.479 116.120 118.700 -0.169 0.000 2.286 179 N HA 0.042 4.782 4.740 -0.000 0.000 0.245 179 N C -0.484 174.975 175.510 -0.085 0.000 1.363 179 N CA -0.031 52.950 53.050 -0.115 0.000 0.822 179 N CB -0.503 37.931 38.487 -0.089 0.000 1.345 179 N HN 0.053 nan 8.380 nan 0.000 0.494 180 L N 0.229 121.399 121.223 -0.088 0.000 2.352 180 L HA 0.716 5.056 4.340 -0.000 0.000 0.269 180 L C -2.191 174.600 176.870 -0.130 0.000 1.034 180 L CA -2.253 52.535 54.840 -0.085 0.000 0.806 180 L CB 0.799 42.821 42.059 -0.062 0.000 1.244 180 L HN -0.205 nan 8.230 nan 0.000 0.447 181 P HA 0.027 nan 4.420 nan 0.000 0.265 181 P C -0.727 176.391 177.300 -0.304 0.000 1.193 181 P CA -0.105 62.898 63.100 -0.162 0.000 0.765 181 P CB 0.635 32.266 31.700 -0.115 0.000 0.823 182 S N 2.388 117.982 115.700 -0.176 0.000 2.601 182 S HA 0.320 4.790 4.470 -0.000 0.000 0.271 182 S C -0.336 174.123 174.600 -0.235 0.000 1.305 182 S CA -0.464 57.636 58.200 -0.167 0.000 1.022 182 S CB -0.029 63.283 63.200 0.187 0.000 0.940 182 S HN 0.276 nan 8.310 nan 0.000 0.525 183 Y N 0.732 121.065 120.300 0.055 0.000 2.383 183 Y HA 0.392 4.942 4.550 -0.000 0.000 0.344 183 Y C 0.835 176.602 175.900 -0.222 0.000 0.986 183 Y CA -0.899 57.185 58.100 -0.027 0.000 1.175 183 Y CB 0.471 38.936 38.460 0.007 0.000 1.152 183 Y HN 0.603 nan 8.280 nan 0.000 0.511 184 R N 3.754 124.113 120.500 -0.236 0.000 2.351 184 R HA 0.150 4.490 4.340 -0.000 0.000 0.318 184 R C 0.279 176.360 176.300 -0.364 0.000 1.055 184 R CA 0.013 55.667 56.100 -0.743 0.000 0.968 184 R CB 0.124 29.808 30.300 -1.026 0.000 0.974 184 R HN 0.731 nan 8.270 nan 0.000 0.439 185 I N 2.511 122.828 120.570 -0.421 0.000 2.585 185 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 185 I C 1.058 177.055 176.117 -0.201 0.000 1.129 185 I CA 1.006 62.177 61.300 -0.216 0.000 1.455 185 I CB -0.904 36.949 38.000 -0.245 0.000 1.111 185 I HN 0.657 nan 8.210 nan 0.000 0.433 186 T N -4.188 110.129 114.554 -0.395 0.000 2.916 186 T HA 0.427 4.777 4.350 -0.000 0.000 0.292 186 T C -0.531 173.943 174.700 -0.376 0.000 1.064 186 T CA -0.506 61.438 62.100 -0.260 0.000 1.011 186 T CB 2.100 70.768 68.868 -0.333 0.000 1.152 186 T HN 0.168 nan 8.240 nan 0.000 0.510 187 W N -0.407 120.792 121.300 -0.169 0.000 2.079 187 W HA 0.218 4.878 4.660 -0.000 0.000 0.285 187 W C 1.892 178.356 176.519 -0.091 0.000 0.891 187 W CA -0.083 57.193 57.345 -0.115 0.000 1.308 187 W CB 0.217 29.622 29.460 -0.092 0.000 1.047 187 W HN 0.905 nan 8.180 nan 0.000 0.522 188 T N -2.390 112.201 114.554 0.062 0.000 3.100 188 T HA 0.230 4.580 4.350 -0.000 0.000 0.253 188 T C 1.274 175.962 174.700 -0.020 0.000 1.118 188 T CA 0.341 62.457 62.100 0.027 0.000 1.058 188 T CB -0.174 68.704 68.868 0.017 0.000 0.953 188 T HN 0.022 nan 8.240 nan 0.000 0.515 189 G N 1.309 110.072 108.800 -0.062 0.000 2.313 189 G HA2 0.385 4.345 3.960 -0.000 0.000 0.250 189 G HA3 0.385 4.345 3.960 -0.000 0.000 0.250 189 G C -0.639 174.191 174.900 -0.117 0.000 1.281 189 G CA -0.433 44.605 45.100 -0.103 0.000 0.917 189 G HN 0.471 nan 8.290 nan 0.000 0.501 190 K N 1.976 122.285 120.400 -0.153 0.000 2.507 190 K HA 0.202 4.522 4.320 -0.000 0.000 0.251 190 K C -0.043 176.420 176.600 -0.229 0.000 0.943 190 K CA -0.695 55.499 56.287 -0.156 0.000 0.794 190 K CB 1.818 34.256 32.500 -0.102 0.000 1.188 190 K HN 0.605 nan 8.250 nan 0.000 0.428 191 E N 2.668 122.755 120.200 -0.188 0.000 2.765 191 E HA -0.183 4.167 4.350 -0.000 0.000 0.256 191 E C -0.562 175.939 176.600 -0.165 0.000 0.935 191 E CA 1.041 57.339 56.400 -0.169 0.000 0.954 191 E CB 0.197 29.833 29.700 -0.106 0.000 0.908 191 E HN 0.628 nan 8.360 nan 0.000 0.500 192 D N 2.042 122.331 120.400 -0.185 0.000 2.978 192 D HA -0.253 4.387 4.640 -0.000 0.000 0.205 192 D C 0.596 176.850 176.300 -0.076 0.000 1.093 192 D CA 1.737 55.716 54.000 -0.034 0.000 1.006 192 D CB -0.735 40.094 40.800 0.047 0.000 1.116 192 D HN 0.491 nan 8.370 nan 0.000 0.419 193 I N -1.233 119.195 120.570 -0.236 0.000 3.518 193 I HA 0.090 4.260 4.170 -0.000 0.000 0.260 193 I C 0.558 176.611 176.117 -0.106 0.000 1.148 193 I CA 0.122 61.364 61.300 -0.096 0.000 1.440 193 I CB 0.540 38.506 38.000 -0.057 0.000 1.485 193 I HN -0.148 nan 8.210 nan 0.000 0.456 194 I N 1.417 121.856 120.570 -0.218 0.000 2.436 194 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 194 I C -1.398 174.585 176.117 -0.222 0.000 1.010 194 I CA -0.454 60.791 61.300 -0.091 0.000 1.098 194 I CB 1.255 39.248 38.000 -0.013 0.000 1.266 194 I HN 0.043 nan 8.210 nan 0.000 0.434 195 Y N 4.446 124.836 120.300 0.150 0.000 2.334 195 Y HA 0.377 4.927 4.550 -0.000 0.000 0.336 195 Y C 0.412 176.397 175.900 0.141 0.000 0.960 195 Y CA -0.730 57.463 58.100 0.155 0.000 1.164 195 Y CB 1.039 39.655 38.460 0.259 0.000 1.155 195 Y HN 0.407 nan 8.280 nan 0.000 0.478 196 N N 2.552 121.330 118.700 0.131 0.000 2.485 196 N HA 0.291 5.031 4.740 -0.000 0.000 0.243 196 N C 0.777 176.251 175.510 -0.060 0.000 0.987 196 N CA 0.390 53.437 53.050 -0.005 0.000 0.940 196 N CB 1.636 40.007 38.487 -0.193 0.000 1.122 196 N HN 1.003 nan 8.380 nan 0.000 0.509 197 G N 1.778 110.597 108.800 0.032 0.000 2.153 197 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.252 197 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.252 197 G C 0.053 174.902 174.900 -0.084 0.000 0.994 197 G CA 0.797 45.883 45.100 -0.024 0.000 0.698 197 G HN 0.662 nan 8.290 nan 0.000 0.521 198 I N -2.648 117.929 120.570 0.011 0.000 2.865 198 I HA 0.829 4.999 4.170 -0.000 0.000 0.302 198 I C 0.288 176.457 176.117 0.086 0.000 1.140 198 I CA -0.695 60.508 61.300 -0.162 0.000 1.021 198 I CB 1.928 39.620 38.000 -0.513 0.000 1.233 198 I HN 0.220 nan 8.210 nan 0.000 0.427 199 T N -0.374 114.158 114.554 -0.037 0.000 2.874 199 T HA 0.407 4.757 4.350 -0.000 0.000 0.281 199 T C -0.162 174.217 174.700 -0.536 0.000 0.994 199 T CA -0.514 61.371 62.100 -0.357 0.000 1.015 199 T CB 1.142 69.893 68.868 -0.195 0.000 1.028 199 T HN 0.825 nan 8.240 nan 0.000 0.523 200 D N -0.023 119.807 120.400 -0.950 0.000 2.506 200 D HA 0.050 4.690 4.640 -0.000 0.000 0.272 200 D C 0.988 177.115 176.300 -0.287 0.000 1.214 200 D CA -1.062 52.413 54.000 -0.874 0.000 1.067 200 D CB 0.240 40.509 40.800 -0.885 0.000 1.117 200 D HN 0.727 nan 8.370 nan 0.000 0.578 201 W N 0.446 121.601 121.300 -0.242 0.000 2.315 201 W HA -0.246 4.414 4.660 -0.000 0.000 0.323 201 W C 2.171 178.521 176.519 -0.283 0.000 1.233 201 W CA 2.465 59.662 57.345 -0.247 0.000 1.267 201 W CB -0.549 28.707 29.460 -0.341 0.000 1.160 201 W HN 0.190 nan 8.180 nan 0.000 0.474 202 V N 0.005 119.999 119.914 0.133 0.000 2.626 202 V HA -0.290 3.830 4.120 -0.000 0.000 0.252 202 V C 1.845 177.719 176.094 -0.366 0.000 1.067 202 V CA 1.992 64.259 62.300 -0.055 0.000 1.081 202 V CB -0.753 31.039 31.823 -0.051 0.000 0.686 202 V HN 0.331 nan 8.190 nan 0.000 0.468 203 Y N 0.735 120.762 120.300 -0.454 0.000 2.220 203 Y HA -0.164 4.386 4.550 -0.000 0.000 0.291 203 Y C 2.527 178.163 175.900 -0.440 0.000 1.129 203 Y CA 2.116 59.875 58.100 -0.568 0.000 1.161 203 Y CB -0.266 37.656 38.460 -0.897 0.000 0.997 203 Y HN 0.402 nan 8.280 nan 0.000 0.522 204 E N 0.417 120.476 120.200 -0.235 0.000 2.048 204 E HA -0.364 3.986 4.350 -0.000 0.000 0.202 204 E C 2.081 178.570 176.600 -0.185 0.000 1.021 204 E CA 1.978 58.288 56.400 -0.150 0.000 0.825 204 E CB -0.132 29.484 29.700 -0.141 0.000 0.756 204 E HN 0.452 nan 8.360 nan 0.000 0.454 205 E N 0.075 119.990 120.200 -0.474 0.000 2.015 205 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 205 E C 1.730 178.200 176.600 -0.217 0.000 0.991 205 E CA 1.738 57.887 56.400 -0.418 0.000 0.802 205 E CB 0.073 29.252 29.700 -0.868 0.000 0.759 205 E HN 0.257 nan 8.360 nan 0.000 0.447 206 E N -0.717 119.318 120.200 -0.275 0.000 2.472 206 E HA 0.067 4.417 4.350 -0.000 0.000 0.196 206 E C 1.478 177.945 176.600 -0.222 0.000 1.033 206 E CA 0.548 56.845 56.400 -0.171 0.000 0.886 206 E CB 1.325 30.922 29.700 -0.171 0.000 0.944 206 E HN 0.303 nan 8.360 nan 0.000 0.492 207 V N -1.649 118.089 119.914 -0.294 0.000 3.161 207 V HA 0.115 4.235 4.120 -0.000 0.000 0.221 207 V C 1.475 177.605 176.094 0.059 0.000 1.296 207 V CA 0.116 62.246 62.300 -0.282 0.000 1.306 207 V CB -0.301 31.090 31.823 -0.721 0.000 1.171 207 V HN -0.038 nan 8.190 nan 0.000 0.513 208 F N 1.032 120.962 119.950 -0.033 0.000 2.698 208 F HA 0.406 4.933 4.527 -0.000 0.000 0.295 208 F C 1.637 177.390 175.800 -0.077 0.000 1.124 208 F CA -0.048 57.961 58.000 0.014 0.000 1.426 208 F CB -0.619 38.444 39.000 0.105 0.000 1.120 208 F HN 0.180 nan 8.300 nan 0.000 0.583 209 S N 0.388 116.110 115.700 0.036 0.000 3.581 209 S HA 0.020 4.490 4.470 -0.000 0.000 0.354 209 S C 0.130 174.371 174.600 -0.598 0.000 1.059 209 S CA 0.525 58.614 58.200 -0.186 0.000 1.060 209 S CB -1.625 61.518 63.200 -0.095 0.000 0.908 209 S HN 0.669 nan 8.310 nan 0.000 0.475 210 A N -0.608 122.042 122.820 -0.282 0.000 2.599 210 A HA 0.655 4.975 4.320 -0.000 0.000 0.294 210 A C -0.249 177.315 177.584 -0.032 0.000 1.055 210 A CA -0.494 51.402 52.037 -0.236 0.000 0.683 210 A CB 0.275 19.151 19.000 -0.206 0.000 1.278 210 A HN 0.249 nan 8.150 nan 0.000 0.412 211 Y N 1.571 121.708 120.300 -0.272 0.000 2.286 211 Y HA 0.130 4.680 4.550 -0.000 0.000 0.293 211 Y C 1.691 177.296 175.900 -0.491 0.000 1.124 211 Y CA 1.314 59.238 58.100 -0.293 0.000 1.178 211 Y CB -0.035 38.259 38.460 -0.277 0.000 1.010 211 Y HN 0.676 nan 8.280 nan 0.000 0.536 212 S N 0.607 115.786 115.700 -0.868 0.000 2.525 212 S HA 0.369 4.839 4.470 -0.000 0.000 0.285 212 S C 0.411 174.623 174.600 -0.646 0.000 1.283 212 S CA 0.242 57.727 58.200 -1.192 0.000 1.072 212 S CB 0.203 62.538 63.200 -1.442 0.000 0.867 212 S HN 0.406 nan 8.310 nan 0.000 0.492 213 A N 5.914 128.379 122.820 -0.591 0.000 2.705 213 A HA 0.519 4.839 4.320 -0.000 0.000 0.294 213 A C -0.414 176.616 177.584 -0.924 0.000 1.039 213 A CA -0.483 51.235 52.037 -0.531 0.000 1.005 213 A CB -0.018 19.079 19.000 0.163 0.000 1.192 213 A HN 0.714 nan 8.150 nan 0.000 0.513 214 L N -0.181 120.344 121.223 -1.165 0.000 2.354 214 L HA 0.654 4.994 4.340 -0.000 0.000 0.269 214 L C -0.983 175.316 176.870 -0.953 0.000 1.005 214 L CA -0.670 53.721 54.840 -0.748 0.000 0.819 214 L CB 1.880 43.754 42.059 -0.309 0.000 1.311 214 L HN 0.398 nan 8.230 nan 0.000 0.423 215 W N 1.404 122.788 121.300 0.140 0.000 2.687 215 W HA 0.249 4.909 4.660 -0.000 0.000 0.328 215 W C -1.248 175.537 176.519 0.443 0.000 1.012 215 W CA -1.023 56.518 57.345 0.326 0.000 1.262 215 W CB 1.271 30.941 29.460 0.350 0.000 1.331 215 W HN 0.473 nan 8.180 nan 0.000 0.433 216 W N 2.304 123.870 121.300 0.445 0.000 2.170 216 W HA 0.242 4.902 4.660 -0.000 0.000 0.336 216 W C 1.285 177.697 176.519 -0.178 0.000 1.283 216 W CA 0.275 57.744 57.345 0.206 0.000 1.224 216 W CB 0.818 30.351 29.460 0.121 0.000 1.132 216 W HN 0.195 nan 8.180 nan 0.000 0.571 217 S N 2.477 117.957 115.700 -0.366 0.000 2.585 217 S HA 0.194 4.664 4.470 -0.000 0.000 0.273 217 S C -1.756 172.643 174.600 -0.335 0.000 1.339 217 S CA -1.040 56.508 58.200 -1.087 0.000 1.028 217 S CB 1.315 63.939 63.200 -0.960 0.000 0.906 217 S HN 0.271 nan 8.310 nan 0.000 0.528 218 P HA -0.154 nan 4.420 nan 0.000 0.216 218 P C 1.520 178.781 177.300 -0.065 0.000 1.153 218 P CA 1.106 64.160 63.100 -0.076 0.000 0.858 218 P CB -0.135 31.550 31.700 -0.025 0.000 0.789 219 N N -0.521 118.135 118.700 -0.074 0.000 2.192 219 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 219 N C 1.362 176.828 175.510 -0.072 0.000 1.013 219 N CA 1.901 54.915 53.050 -0.059 0.000 0.863 219 N CB -0.522 37.937 38.487 -0.047 0.000 0.990 219 N HN 0.179 nan 8.380 nan 0.000 0.430 220 G N -1.252 107.518 108.800 -0.049 0.000 2.157 220 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.248 220 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.248 220 G C 0.885 175.835 174.900 0.083 0.000 0.979 220 G CA 0.898 45.986 45.100 -0.020 0.000 0.650 220 G HN 0.435 nan 8.290 nan 0.000 0.529 221 T N -0.193 114.353 114.554 -0.014 0.000 2.809 221 T HA 0.335 4.685 4.350 -0.000 0.000 0.260 221 T C 0.827 175.375 174.700 -0.254 0.000 1.039 221 T CA 1.027 63.008 62.100 -0.198 0.000 1.141 221 T CB -0.053 68.574 68.868 -0.401 0.000 0.869 221 T HN 0.269 nan 8.240 nan 0.000 0.437 222 F N 0.374 120.387 119.950 0.104 0.000 2.440 222 F HA 0.642 5.169 4.527 -0.000 0.000 0.328 222 F C -0.227 175.661 175.800 0.147 0.000 1.070 222 F CA -1.450 56.644 58.000 0.156 0.000 1.011 222 F CB 0.993 40.136 39.000 0.238 0.000 1.226 222 F HN -0.126 nan 8.300 nan 0.000 0.491 223 L N 2.232 123.630 121.223 0.293 0.000 2.406 223 L HA 0.718 5.058 4.340 -0.000 0.000 0.270 223 L C -0.673 176.293 176.870 0.161 0.000 0.982 223 L CA -0.715 54.150 54.840 0.041 0.000 0.843 223 L CB 0.669 42.531 42.059 -0.328 0.000 1.225 223 L HN 0.651 nan 8.230 nan 0.000 0.412 224 A N 4.884 127.857 122.820 0.255 0.000 2.310 224 A HA 0.749 5.069 4.320 -0.000 0.000 0.299 224 A C -1.380 176.299 177.584 0.159 0.000 1.147 224 A CA -0.229 51.784 52.037 -0.039 0.000 0.818 224 A CB 0.411 19.379 19.000 -0.054 0.000 1.096 224 A HN 0.818 nan 8.150 nan 0.000 0.495 225 Y N -1.155 119.035 120.300 -0.183 0.000 2.544 225 Y HA 0.739 5.289 4.550 -0.000 0.000 0.342 225 Y C -0.166 175.798 175.900 0.106 0.000 1.062 225 Y CA -0.917 57.236 58.100 0.089 0.000 1.023 225 Y CB 0.862 39.303 38.460 -0.031 0.000 1.308 225 Y HN 0.854 nan 8.280 nan 0.000 0.457 226 A N 2.968 126.142 122.820 0.589 0.000 2.279 226 A HA 0.644 4.964 4.320 -0.000 0.000 0.303 226 A C -0.860 176.815 177.584 0.152 0.000 1.108 226 A CA -0.724 51.510 52.037 0.328 0.000 0.830 226 A CB 1.444 20.526 19.000 0.137 0.000 1.106 226 A HN 0.838 nan 8.150 nan 0.000 0.493 227 Q N 0.711 120.482 119.800 -0.050 0.000 2.323 227 Q HA 0.587 4.927 4.340 -0.000 0.000 0.271 227 Q C -2.175 173.683 176.000 -0.236 0.000 1.048 227 Q CA -0.369 55.447 55.803 0.022 0.000 0.792 227 Q CB 1.254 30.188 28.738 0.326 0.000 1.280 227 Q HN 0.575 nan 8.270 nan 0.000 0.441 228 F N 2.264 122.339 119.950 0.209 0.000 2.469 228 F HA 0.423 4.950 4.527 -0.000 0.000 0.332 228 F C 0.362 176.307 175.800 0.242 0.000 1.103 228 F CA -0.872 57.221 58.000 0.154 0.000 0.979 228 F CB 1.551 40.584 39.000 0.055 0.000 1.137 228 F HN 0.446 nan 8.300 nan 0.000 0.463 229 N N 1.964 120.872 118.700 0.346 0.000 2.476 229 N HA 0.202 4.942 4.740 -0.000 0.000 0.257 229 N C -0.876 174.783 175.510 0.249 0.000 0.970 229 N CA -0.254 52.945 53.050 0.248 0.000 0.938 229 N CB 0.967 39.553 38.487 0.166 0.000 1.144 229 N HN 0.518 nan 8.380 nan 0.000 0.500 230 D N 1.807 122.356 120.400 0.249 0.000 2.525 230 D HA 0.175 4.815 4.640 -0.000 0.000 0.229 230 D C 0.900 177.288 176.300 0.148 0.000 1.202 230 D CA 0.129 54.272 54.000 0.239 0.000 0.828 230 D CB 0.513 41.534 40.800 0.369 0.000 1.008 230 D HN 0.458 nan 8.370 nan 0.000 0.493 231 T N -0.117 114.504 114.554 0.112 0.000 2.857 231 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 231 T C 1.353 176.091 174.700 0.063 0.000 1.048 231 T CA 0.920 63.064 62.100 0.074 0.000 1.139 231 T CB 0.300 69.204 68.868 0.061 0.000 0.874 231 T HN 0.132 nan 8.240 nan 0.000 0.455 232 E N 0.940 121.180 120.200 0.067 0.000 2.481 232 E HA 0.155 4.505 4.350 -0.000 0.000 0.198 232 E C -0.096 176.538 176.600 0.058 0.000 1.027 232 E CA 0.006 56.438 56.400 0.053 0.000 0.900 232 E CB 0.504 30.231 29.700 0.046 0.000 0.993 232 E HN 0.272 nan 8.360 nan 0.000 0.482 233 V N 4.133 124.093 119.914 0.076 0.000 2.470 233 V HA 0.106 4.226 4.120 -0.000 0.000 0.276 233 V C -2.037 174.096 176.094 0.066 0.000 1.040 233 V CA -1.332 61.017 62.300 0.081 0.000 1.008 233 V CB 0.170 32.059 31.823 0.110 0.000 0.990 233 V HN -0.011 nan 8.190 nan 0.000 0.477 234 P HA 0.297 nan 4.420 nan 0.000 0.269 234 P C -0.781 176.536 177.300 0.029 0.000 1.215 234 P CA -0.266 62.853 63.100 0.033 0.000 0.780 234 P CB 0.463 32.180 31.700 0.029 0.000 0.898 235 L N 1.665 122.885 121.223 -0.005 0.000 2.322 235 L HA 0.499 4.839 4.340 -0.000 0.000 0.279 235 L C 0.369 177.178 176.870 -0.102 0.000 1.036 235 L CA -0.972 53.849 54.840 -0.031 0.000 0.807 235 L CB 0.616 42.654 42.059 -0.036 0.000 1.226 235 L HN 0.233 nan 8.230 nan 0.000 0.433 236 I N 1.772 122.236 120.570 -0.176 0.000 2.441 236 I HA 0.217 4.387 4.170 -0.000 0.000 0.287 236 I C -0.216 175.757 176.117 -0.239 0.000 1.049 236 I CA 0.400 61.502 61.300 -0.330 0.000 1.381 236 I CB 0.652 38.206 38.000 -0.744 0.000 1.409 236 I HN 0.610 nan 8.210 nan 0.000 0.523 237 E N 7.147 127.223 120.200 -0.205 0.000 2.199 237 E HA 0.572 4.922 4.350 -0.000 0.000 0.269 237 E C -1.660 174.877 176.600 -0.104 0.000 0.899 237 E CA -0.490 55.792 56.400 -0.197 0.000 0.772 237 E CB 1.829 31.438 29.700 -0.152 0.000 1.155 237 E HN 0.553 nan 8.360 nan 0.000 0.408 238 Y N -1.736 118.473 120.300 -0.151 0.000 2.656 238 Y HA 0.541 5.091 4.550 -0.000 0.000 0.334 238 Y C -0.955 174.864 175.900 -0.136 0.000 1.179 238 Y CA -1.388 56.627 58.100 -0.142 0.000 1.050 238 Y CB 0.679 39.059 38.460 -0.133 0.000 1.308 238 Y HN 0.250 nan 8.280 nan 0.000 0.456 239 S N 1.618 117.303 115.700 -0.025 0.000 2.565 239 S HA 0.498 4.968 4.470 -0.000 0.000 0.274 239 S C -1.350 173.090 174.600 -0.266 0.000 1.309 239 S CA -0.391 57.631 58.200 -0.297 0.000 1.043 239 S CB 0.665 63.509 63.200 -0.593 0.000 0.939 239 S HN 0.529 nan 8.310 nan 0.000 0.504 240 F N 2.060 121.740 119.950 -0.450 0.000 2.460 240 F HA 0.432 4.959 4.527 -0.000 0.000 0.341 240 F C -0.142 175.443 175.800 -0.359 0.000 1.130 240 F CA -0.966 56.851 58.000 -0.305 0.000 0.962 240 F CB 0.866 39.816 39.000 -0.083 0.000 1.171 240 F HN 0.652 nan 8.300 nan 0.000 0.436 241 Y N 2.422 122.623 120.300 -0.166 0.000 2.397 241 Y HA 0.129 4.679 4.550 -0.000 0.000 0.292 241 Y C 1.685 177.562 175.900 -0.038 0.000 1.115 241 Y CA 1.018 59.064 58.100 -0.090 0.000 1.208 241 Y CB -0.443 37.930 38.460 -0.145 0.000 1.046 241 Y HN 0.715 nan 8.280 nan 0.000 0.552 242 S N -0.519 115.175 115.700 -0.009 0.000 3.740 242 S HA -0.215 4.255 4.470 -0.000 0.000 0.637 242 S C -0.738 173.919 174.600 0.096 0.000 2.126 242 S CA 0.018 58.298 58.200 0.135 0.000 2.309 242 S CB -1.184 62.184 63.200 0.281 0.000 0.330 242 S HN 0.444 nan 8.310 nan 0.000 1.786 243 D N 1.575 122.045 120.400 0.116 0.000 2.400 243 D HA 0.200 4.840 4.640 -0.000 0.000 0.238 243 D C 1.378 177.717 176.300 0.064 0.000 1.157 243 D CA 0.499 54.547 54.000 0.080 0.000 0.889 243 D CB 0.239 41.087 40.800 0.080 0.000 1.199 243 D HN 0.566 nan 8.370 nan 0.000 0.436 244 E N 0.467 120.693 120.200 0.043 0.000 2.147 244 E HA -0.258 4.091 4.350 -0.000 0.000 0.199 244 E C 1.501 178.120 176.600 0.032 0.000 1.005 244 E CA 1.562 57.979 56.400 0.028 0.000 0.810 244 E CB 0.141 29.852 29.700 0.018 0.000 0.736 244 E HN 0.485 nan 8.360 nan 0.000 0.460 245 S N 0.218 115.942 115.700 0.040 0.000 2.442 245 S HA -0.158 4.312 4.470 -0.000 0.000 0.236 245 S C 1.013 175.645 174.600 0.054 0.000 1.007 245 S CA 0.186 58.411 58.200 0.042 0.000 0.965 245 S CB -0.197 63.029 63.200 0.043 0.000 0.773 245 S HN 0.231 nan 8.310 nan 0.000 0.504 246 L N 2.771 124.036 121.223 0.069 0.000 2.433 246 L HA 0.245 4.585 4.340 -0.000 0.000 0.284 246 L C 1.446 178.364 176.870 0.080 0.000 1.120 246 L CA 0.040 54.934 54.840 0.089 0.000 0.879 246 L CB 0.337 42.463 42.059 0.112 0.000 1.232 246 L HN 0.256 nan 8.230 nan 0.000 0.454 247 Q N 3.791 123.643 119.800 0.086 0.000 2.119 247 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 247 Q C -0.481 175.478 176.000 -0.070 0.000 0.972 247 Q CA 1.313 57.128 55.803 0.020 0.000 0.847 247 Q CB 0.130 28.911 28.738 0.071 0.000 0.903 247 Q HN 0.643 nan 8.270 nan 0.000 0.433 248 Y N 0.711 121.029 120.300 0.030 0.000 2.335 248 Y HA 0.383 4.933 4.550 -0.000 0.000 0.338 248 Y C -2.088 173.833 175.900 0.034 0.000 0.977 248 Y CA -2.939 55.177 58.100 0.026 0.000 1.114 248 Y CB 1.407 39.873 38.460 0.010 0.000 1.182 248 Y HN 0.130 nan 8.280 nan 0.000 0.463 249 P HA 0.103 nan 4.420 nan 0.000 0.271 249 P C -0.700 176.628 177.300 0.045 0.000 1.216 249 P CA -0.416 62.731 63.100 0.079 0.000 0.771 249 P CB 0.705 32.430 31.700 0.042 0.000 0.864 250 K N 1.329 121.743 120.400 0.023 0.000 2.218 250 K HA 0.294 4.614 4.320 -0.000 0.000 0.276 250 K C -0.132 176.421 176.600 -0.078 0.000 1.022 250 K CA -0.123 56.159 56.287 -0.008 0.000 0.946 250 K CB 0.461 32.966 32.500 0.009 0.000 1.000 250 K HN 0.385 nan 8.250 nan 0.000 0.468 251 T N 2.337 116.829 114.554 -0.103 0.000 2.733 251 T HA 0.189 4.538 4.350 -0.000 0.000 0.294 251 T C -0.313 174.251 174.700 -0.227 0.000 0.956 251 T CA -0.630 61.368 62.100 -0.170 0.000 0.987 251 T CB 0.895 69.682 68.868 -0.135 0.000 0.920 251 T HN 0.147 nan 8.240 nan 0.000 0.470 252 V N 5.867 125.546 119.914 -0.391 0.000 2.461 252 V HA 0.364 4.484 4.120 -0.000 0.000 0.275 252 V C 0.506 176.337 176.094 -0.438 0.000 1.047 252 V CA -0.437 61.598 62.300 -0.441 0.000 0.955 252 V CB 0.652 32.070 31.823 -0.676 0.000 0.988 252 V HN 0.716 nan 8.190 nan 0.000 0.471 253 R N 3.775 124.141 120.500 -0.223 0.000 2.562 253 R HA 0.823 5.163 4.340 -0.000 0.000 0.298 253 R C -1.642 174.630 176.300 -0.047 0.000 0.961 253 R CA -0.731 55.277 56.100 -0.154 0.000 0.881 253 R CB 2.239 32.480 30.300 -0.099 0.000 1.159 253 R HN 0.488 nan 8.270 nan 0.000 0.450 254 V N 2.158 122.047 119.914 -0.042 0.000 2.668 254 V HA 0.286 4.406 4.120 -0.000 0.000 0.304 254 V C -2.512 173.604 176.094 0.038 0.000 1.071 254 V CA -2.487 59.840 62.300 0.043 0.000 0.894 254 V CB 2.070 33.887 31.823 -0.010 0.000 1.008 254 V HN 0.643 nan 8.190 nan 0.000 0.425 255 P HA 0.120 nan 4.420 nan 0.000 0.261 255 P C -1.265 176.101 177.300 0.111 0.000 1.203 255 P CA 0.522 63.695 63.100 0.122 0.000 0.767 255 P CB -0.216 31.600 31.700 0.194 0.000 0.785 256 Y N 6.378 126.625 120.300 -0.090 0.000 2.287 256 Y HA 0.342 4.892 4.550 -0.000 0.000 0.325 256 Y C -2.758 173.083 175.900 -0.098 0.000 1.139 256 Y CA -2.939 55.048 58.100 -0.189 0.000 1.167 256 Y CB 1.619 39.851 38.460 -0.380 0.000 1.158 256 Y HN 0.268 nan 8.280 nan 0.000 0.434 257 P HA 0.230 nan 4.420 nan 0.000 0.284 257 P C -0.814 176.543 177.300 0.095 0.000 1.343 257 P CA -0.050 63.088 63.100 0.063 0.000 0.826 257 P CB 0.967 32.685 31.700 0.030 0.000 0.956 258 K N 2.037 122.566 120.400 0.216 0.000 2.120 258 K HA 0.492 4.812 4.320 -0.000 0.000 0.245 258 K C 0.629 177.333 176.600 0.173 0.000 1.024 258 K CA -0.738 55.696 56.287 0.245 0.000 0.906 258 K CB 0.545 33.191 32.500 0.243 0.000 1.051 258 K HN 0.417 nan 8.250 nan 0.000 0.491 259 A N 0.663 123.612 122.820 0.215 0.000 2.598 259 A HA 0.225 4.545 4.320 -0.000 0.000 0.239 259 A C 1.262 178.895 177.584 0.082 0.000 1.032 259 A CA 1.053 53.203 52.037 0.189 0.000 0.760 259 A CB -1.188 17.988 19.000 0.293 0.000 0.946 259 A HN 0.921 nan 8.150 nan 0.000 0.512 260 G N 0.808 109.645 108.800 0.062 0.000 2.189 260 G HA2 0.083 4.043 3.960 -0.000 0.000 0.267 260 G HA3 0.083 4.043 3.960 -0.000 0.000 0.267 260 G C 0.680 175.596 174.900 0.027 0.000 0.975 260 G CA 0.985 46.095 45.100 0.016 0.000 0.644 260 G HN 2.229 nan 8.290 nan 0.000 0.537 261 A N -0.553 122.297 122.820 0.051 0.000 2.246 261 A HA 0.755 5.075 4.320 -0.000 0.000 0.291 261 A C 0.775 178.390 177.584 0.052 0.000 1.103 261 A CA 0.216 52.282 52.037 0.050 0.000 0.844 261 A CB 0.852 19.892 19.000 0.066 0.000 1.136 261 A HN 1.111 nan 8.150 nan 0.000 0.500 262 V N 2.717 122.660 119.914 0.049 0.000 2.450 262 V HA -0.002 4.118 4.120 -0.000 0.000 0.281 262 V C 0.287 176.423 176.094 0.071 0.000 1.019 262 V CA -0.061 62.269 62.300 0.050 0.000 1.062 262 V CB -0.556 31.294 31.823 0.046 0.000 0.979 262 V HN 0.789 nan 8.190 nan 0.000 0.477 263 N N 6.973 125.719 118.700 0.076 0.000 2.445 263 N HA 0.372 5.112 4.740 -0.000 0.000 0.264 263 N C -2.280 173.313 175.510 0.139 0.000 1.227 263 N CA -1.397 51.724 53.050 0.119 0.000 0.963 263 N CB 0.445 39.013 38.487 0.135 0.000 1.188 263 N HN 0.383 nan 8.380 nan 0.000 0.491 264 P HA 0.060 nan 4.420 nan 0.000 0.269 264 P C -0.457 176.970 177.300 0.212 0.000 1.215 264 P CA -0.066 63.179 63.100 0.242 0.000 0.780 264 P CB 0.168 32.066 31.700 0.330 0.000 0.898 265 T N -1.538 113.118 114.554 0.171 0.000 2.925 265 T HA 0.562 4.912 4.350 -0.000 0.000 0.285 265 T C -0.294 174.484 174.700 0.129 0.000 1.021 265 T CA -0.862 61.293 62.100 0.091 0.000 1.042 265 T CB 1.507 70.406 68.868 0.052 0.000 1.037 265 T HN 0.277 nan 8.240 nan 0.000 0.481 266 V N 1.025 120.986 119.914 0.080 0.000 2.735 266 V HA 0.761 4.881 4.120 -0.000 0.000 0.310 266 V C -1.190 174.967 176.094 0.105 0.000 1.061 266 V CA -0.767 61.550 62.300 0.028 0.000 0.913 266 V CB 2.008 33.860 31.823 0.048 0.000 1.005 266 V HN 1.015 nan 8.190 nan 0.000 0.428 267 K N 4.330 124.751 120.400 0.034 0.000 2.482 267 K HA 0.638 4.958 4.320 -0.000 0.000 0.257 267 K C -1.942 174.649 176.600 -0.014 0.000 0.969 267 K CA -0.448 55.852 56.287 0.021 0.000 0.842 267 K CB 2.595 35.100 32.500 0.010 0.000 1.359 267 K HN 0.515 nan 8.250 nan 0.000 0.441 268 F N 2.252 121.935 119.950 -0.445 0.000 2.547 268 F HA 0.574 5.101 4.527 -0.000 0.000 0.316 268 F C -1.671 173.660 175.800 -0.783 0.000 1.121 268 F CA -0.835 56.897 58.000 -0.447 0.000 0.911 268 F CB 0.864 39.724 39.000 -0.233 0.000 1.179 268 F HN 0.387 nan 8.300 nan 0.000 0.443 269 F N 4.349 123.563 119.950 -1.227 0.000 2.588 269 F HA 0.785 5.312 4.527 -0.000 0.000 0.314 269 F C -0.861 174.233 175.800 -1.177 0.000 1.069 269 F CA -1.112 56.246 58.000 -1.069 0.000 0.931 269 F CB 2.170 40.487 39.000 -1.138 0.000 1.260 269 F HN 0.149 nan 8.300 nan 0.000 0.465 270 V N 2.307 121.941 119.914 -0.468 0.000 2.876 270 V HA 0.743 4.863 4.120 -0.000 0.000 0.312 270 V C -1.276 174.876 176.094 0.098 0.000 1.085 270 V CA -0.942 61.182 62.300 -0.294 0.000 0.945 270 V CB 2.303 33.773 31.823 -0.589 0.000 1.017 270 V HN 0.574 nan 8.190 nan 0.000 0.428 271 V N 2.959 123.034 119.914 0.269 0.000 2.733 271 V HA 0.504 4.624 4.120 -0.000 0.000 0.306 271 V C -0.712 175.596 176.094 0.357 0.000 1.084 271 V CA -0.582 61.904 62.300 0.311 0.000 0.905 271 V CB 2.125 34.074 31.823 0.210 0.000 1.010 271 V HN 0.949 nan 8.190 nan 0.000 0.424 272 N N 3.729 122.608 118.700 0.298 0.000 2.399 272 N HA 0.091 4.831 4.740 -0.000 0.000 0.259 272 N C 1.151 176.656 175.510 -0.008 0.000 1.160 272 N CA 0.613 53.679 53.050 0.026 0.000 0.946 272 N CB 1.642 40.145 38.487 0.027 0.000 1.156 272 N HN 0.904 nan 8.380 nan 0.000 0.489 273 T N -0.241 114.301 114.554 -0.020 0.000 3.118 273 T HA 0.002 4.352 4.350 -0.000 0.000 0.260 273 T C 0.768 175.478 174.700 0.016 0.000 1.139 273 T CA 0.464 62.597 62.100 0.055 0.000 1.085 273 T CB 0.286 69.272 68.868 0.196 0.000 0.934 273 T HN 0.275 nan 8.240 nan 0.000 0.518 274 D N 2.437 122.804 120.400 -0.054 0.000 2.162 274 D HA 0.005 4.645 4.640 -0.000 0.000 0.205 274 D C 1.297 177.567 176.300 -0.050 0.000 0.964 274 D CA 0.926 54.896 54.000 -0.050 0.000 0.847 274 D CB -0.226 40.520 40.800 -0.089 0.000 0.988 274 D HN 0.518 nan 8.370 nan 0.000 0.480 275 S N 0.885 116.554 115.700 -0.052 0.000 3.697 275 S HA 0.248 4.718 4.470 -0.000 0.000 0.207 275 S C 0.082 174.627 174.600 -0.091 0.000 1.459 275 S CA -0.457 57.716 58.200 -0.046 0.000 1.122 275 S CB -0.104 63.094 63.200 -0.004 0.000 1.311 275 S HN -0.040 nan 8.310 nan 0.000 0.487 276 L N 2.500 123.615 121.223 -0.180 0.000 2.276 276 L HA 0.499 4.839 4.340 -0.000 0.000 0.286 276 L C 0.195 176.756 176.870 -0.516 0.000 1.024 276 L CA -0.113 54.499 54.840 -0.380 0.000 0.826 276 L CB 1.287 43.008 42.059 -0.562 0.000 1.211 276 L HN 0.424 nan 8.230 nan 0.000 0.422 277 S N 1.260 116.762 115.700 -0.330 0.000 2.541 277 S HA 0.296 4.766 4.470 -0.000 0.000 0.283 277 S C 1.010 175.550 174.600 -0.100 0.000 1.196 277 S CA -0.088 58.000 58.200 -0.187 0.000 1.062 277 S CB 1.086 64.244 63.200 -0.069 0.000 1.009 277 S HN 0.681 nan 8.310 nan 0.000 0.502 278 S N 3.597 119.339 115.700 0.069 0.000 2.754 278 S HA 0.154 4.624 4.470 -0.000 0.000 0.223 278 S C 0.691 175.369 174.600 0.129 0.000 0.951 278 S CA 0.069 58.401 58.200 0.219 0.000 0.954 278 S CB -0.222 63.142 63.200 0.273 0.000 0.780 278 S HN 0.543 nan 8.310 nan 0.000 0.509 279 V N 0.063 120.020 119.914 0.072 0.000 3.141 279 V HA 0.176 4.296 4.120 -0.000 0.000 0.225 279 V C 0.713 176.822 176.094 0.025 0.000 1.352 279 V CA 0.779 63.107 62.300 0.047 0.000 1.316 279 V CB 0.009 31.851 31.823 0.032 0.000 1.126 279 V HN 0.527 nan 8.190 nan 0.000 0.493 280 T N 2.036 116.596 114.554 0.010 0.000 2.907 280 T HA 0.281 4.631 4.350 -0.000 0.000 0.298 280 T C 0.067 174.774 174.700 0.012 0.000 1.017 280 T CA -0.312 61.786 62.100 -0.004 0.000 1.118 280 T CB 0.588 69.450 68.868 -0.011 0.000 0.948 280 T HN 0.187 nan 8.240 nan 0.000 0.531 281 N N 0.874 119.573 118.700 -0.002 0.000 2.260 281 N HA 0.367 5.106 4.740 -0.000 0.000 0.230 281 N C -0.008 175.522 175.510 0.035 0.000 1.323 281 N CA -0.302 52.770 53.050 0.036 0.000 0.897 281 N CB 0.191 38.651 38.487 -0.045 0.000 1.146 281 N HN 0.850 nan 8.380 nan 0.000 0.460 282 A N -0.150 122.710 122.820 0.066 0.000 2.301 282 A HA 0.402 4.722 4.320 -0.000 0.000 0.312 282 A C -0.168 177.451 177.584 0.059 0.000 1.182 282 A CA -0.522 51.543 52.037 0.047 0.000 0.826 282 A CB 0.162 19.191 19.000 0.047 0.000 1.134 282 A HN 0.492 nan 8.150 nan 0.000 0.501 283 T N 2.971 117.567 114.554 0.070 0.000 2.782 283 T HA 0.304 4.654 4.350 -0.000 0.000 0.298 283 T C 0.495 175.275 174.700 0.133 0.000 0.944 283 T CA 0.253 62.408 62.100 0.091 0.000 1.001 283 T CB 0.023 68.949 68.868 0.096 0.000 0.932 283 T HN 0.570 nan 8.240 nan 0.000 0.524 284 S N 3.445 119.215 115.700 0.117 0.000 2.601 284 S HA 0.433 4.903 4.470 -0.000 0.000 0.271 284 S C 0.199 174.950 174.600 0.253 0.000 1.305 284 S CA -0.750 57.545 58.200 0.159 0.000 1.022 284 S CB 0.367 63.578 63.200 0.018 0.000 0.940 284 S HN 0.465 nan 8.310 nan 0.000 0.525 285 I N 2.701 123.422 120.570 0.253 0.000 2.382 285 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 285 I C 0.321 176.477 176.117 0.064 0.000 1.002 285 I CA -0.434 60.998 61.300 0.219 0.000 1.135 285 I CB 1.153 39.332 38.000 0.298 0.000 1.288 285 I HN 0.571 nan 8.210 nan 0.000 0.448 286 Q N 5.523 125.331 119.800 0.014 0.000 2.313 286 Q HA 0.413 4.753 4.340 -0.000 0.000 0.266 286 Q C -0.632 175.270 176.000 -0.163 0.000 0.989 286 Q CA 0.019 55.635 55.803 -0.310 0.000 0.890 286 Q CB 1.703 30.276 28.738 -0.275 0.000 1.200 286 Q HN 0.515 nan 8.270 nan 0.000 0.396 287 I N 3.522 123.981 120.570 -0.184 0.000 2.359 287 I HA 0.134 4.304 4.170 -0.000 0.000 0.284 287 I C 0.641 176.742 176.117 -0.026 0.000 1.018 287 I CA -0.592 60.693 61.300 -0.025 0.000 1.173 287 I CB 1.300 39.350 38.000 0.083 0.000 1.326 287 I HN 0.548 nan 8.210 nan 0.000 0.462 288 T N 2.913 117.413 114.554 -0.089 0.000 2.899 288 T HA 0.565 4.915 4.350 -0.000 0.000 0.295 288 T C 0.536 175.035 174.700 -0.336 0.000 1.033 288 T CA -0.803 61.188 62.100 -0.181 0.000 1.084 288 T CB 1.490 70.253 68.868 -0.175 0.000 0.979 288 T HN 0.593 nan 8.240 nan 0.000 0.532 289 A N 3.711 126.095 122.820 -0.726 0.000 2.429 289 A HA 0.500 4.820 4.320 -0.000 0.000 0.242 289 A C -1.764 175.334 177.584 -0.810 0.000 1.088 289 A CA -1.358 49.807 52.037 -1.453 0.000 0.784 289 A CB -0.823 16.921 19.000 -2.093 0.000 1.038 289 A HN 0.823 nan 8.150 nan 0.000 0.501 290 P HA 0.126 nan 4.420 nan 0.000 0.269 290 P C 0.828 177.926 177.300 -0.337 0.000 1.215 290 P CA 0.640 63.505 63.100 -0.393 0.000 0.780 290 P CB 0.647 32.176 31.700 -0.285 0.000 0.898 291 A N 3.060 125.755 122.820 -0.209 0.000 1.915 291 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 291 A C 2.134 179.630 177.584 -0.147 0.000 1.198 291 A CA 2.865 54.807 52.037 -0.159 0.000 0.647 291 A CB -1.911 17.027 19.000 -0.103 0.000 0.825 291 A HN 0.684 nan 8.150 nan 0.000 0.456 292 S N -1.968 113.668 115.700 -0.107 0.000 2.603 292 S HA 0.070 4.540 4.470 -0.000 0.000 0.229 292 S C 1.462 176.024 174.600 -0.062 0.000 0.972 292 S CA 1.144 59.312 58.200 -0.052 0.000 0.935 292 S CB -0.123 63.110 63.200 0.056 0.000 0.769 292 S HN 0.376 nan 8.310 nan 0.000 0.536 293 M N 0.419 119.897 119.600 -0.203 0.000 2.615 293 M HA 0.404 4.884 4.480 -0.000 0.000 0.262 293 M C 1.618 177.720 176.300 -0.331 0.000 1.198 293 M CA 0.625 55.747 55.300 -0.297 0.000 1.165 293 M CB -0.994 31.247 32.600 -0.599 0.000 1.310 293 M HN 0.338 nan 8.290 nan 0.000 0.494 294 L N 0.687 121.709 121.223 -0.335 0.000 2.465 294 L HA -0.056 4.284 4.340 -0.000 0.000 0.224 294 L C 2.085 178.918 176.870 -0.062 0.000 1.145 294 L CA 0.427 55.142 54.840 -0.208 0.000 0.834 294 L CB -0.636 41.299 42.059 -0.206 0.000 0.944 294 L HN 0.266 nan 8.230 nan 0.000 0.451 295 I N -2.869 117.660 120.570 -0.068 0.000 3.291 295 I HA 0.258 4.428 4.170 -0.000 0.000 0.279 295 I C 0.948 177.055 176.117 -0.017 0.000 1.294 295 I CA 0.294 61.569 61.300 -0.042 0.000 1.428 295 I CB -0.388 37.578 38.000 -0.056 0.000 1.070 295 I HN -0.005 nan 8.210 nan 0.000 0.478 296 G N -0.462 108.345 108.800 0.013 0.000 2.721 296 G HA2 0.301 4.261 3.960 -0.000 0.000 0.296 296 G HA3 0.301 4.261 3.960 -0.000 0.000 0.296 296 G C -1.795 173.150 174.900 0.074 0.000 1.383 296 G CA -0.687 44.426 45.100 0.022 0.000 0.788 296 G HN -0.007 nan 8.290 nan 0.000 0.500 297 D N 1.255 121.650 120.400 -0.007 0.000 2.455 297 D HA 0.329 4.969 4.640 -0.000 0.000 0.241 297 D C 0.332 176.565 176.300 -0.111 0.000 1.138 297 D CA 0.653 54.588 54.000 -0.109 0.000 0.877 297 D CB 0.445 41.154 40.800 -0.152 0.000 1.187 297 D HN 0.499 nan 8.370 nan 0.000 0.451 298 H N -0.312 118.645 119.070 -0.187 0.000 2.941 298 H HA 0.507 5.063 4.556 -0.000 0.000 0.344 298 H C -1.180 174.019 175.328 -0.216 0.000 1.235 298 H CA -0.840 55.104 56.048 -0.173 0.000 1.149 298 H CB 0.540 30.314 29.762 0.020 0.000 1.885 298 H HN 0.262 nan 8.280 nan 0.000 0.558 299 Y N 0.112 120.633 120.300 0.369 0.000 2.477 299 Y HA 0.329 4.879 4.550 -0.000 0.000 0.347 299 Y C -0.302 175.839 175.900 0.401 0.000 0.981 299 Y CA -1.160 57.151 58.100 0.351 0.000 1.033 299 Y CB 1.922 40.445 38.460 0.105 0.000 1.245 299 Y HN 0.446 nan 8.280 nan 0.000 0.455 300 L N 3.765 125.287 121.223 0.500 0.000 2.278 300 L HA 0.351 4.691 4.340 -0.000 0.000 0.287 300 L C 0.502 177.455 176.870 0.139 0.000 1.072 300 L CA -0.076 54.748 54.840 -0.025 0.000 0.819 300 L CB 0.240 42.173 42.059 -0.210 0.000 1.176 300 L HN 1.022 nan 8.230 nan 0.000 0.435 301 C N 0.933 120.240 119.300 0.012 0.000 3.580 301 C HA 0.578 5.038 4.460 -0.000 0.000 0.337 301 C C 0.231 175.328 174.990 0.178 0.000 1.412 301 C CA -0.162 58.943 59.018 0.146 0.000 1.797 301 C CB -0.876 26.898 27.740 0.057 0.000 2.470 301 C HN 0.856 nan 8.230 nan 0.000 0.691 302 D N -0.159 120.167 120.400 -0.124 0.000 2.837 302 D HA 0.573 5.213 4.640 -0.000 0.000 0.220 302 D C -1.474 174.436 176.300 -0.649 0.000 1.236 302 D CA -0.205 53.614 54.000 -0.301 0.000 0.838 302 D CB 2.367 43.015 40.800 -0.254 0.000 1.647 302 D HN 0.008 nan 8.370 nan 0.000 0.486 303 V N 3.039 122.431 119.914 -0.870 0.000 2.380 303 V HA 0.519 4.639 4.120 -0.000 0.000 0.286 303 V C -0.520 175.051 176.094 -0.871 0.000 1.015 303 V CA -0.461 61.129 62.300 -1.182 0.000 0.834 303 V CB 1.564 32.096 31.823 -2.152 0.000 1.009 303 V HN 0.705 nan 8.190 nan 0.000 0.428 304 T N 3.442 117.644 114.554 -0.586 0.000 2.812 304 T HA 0.410 4.760 4.350 -0.000 0.000 0.282 304 T C -0.624 173.920 174.700 -0.260 0.000 0.990 304 T CA -0.425 61.498 62.100 -0.296 0.000 0.960 304 T CB 0.932 69.722 68.868 -0.130 0.000 0.948 304 T HN 0.522 nan 8.240 nan 0.000 0.438 305 W N 1.904 123.130 121.300 -0.124 0.000 2.216 305 W HA 0.460 5.120 4.660 -0.000 0.000 0.326 305 W C 1.134 177.496 176.519 -0.262 0.000 1.319 305 W CA -0.480 56.788 57.345 -0.128 0.000 1.213 305 W CB 0.573 30.036 29.460 0.005 0.000 1.171 305 W HN 0.874 nan 8.180 nan 0.000 0.557 306 A N 2.089 124.777 122.820 -0.220 0.000 1.919 306 A HA 0.196 4.515 4.320 -0.000 0.000 0.211 306 A C 0.910 178.372 177.584 -0.204 0.000 1.310 306 A CA 1.559 53.123 52.037 -0.788 0.000 0.651 306 A CB -0.514 17.689 19.000 -1.329 0.000 0.996 306 A HN 0.529 nan 8.150 nan 0.000 0.479 307 T N -5.637 108.907 114.554 -0.017 0.000 2.716 307 T HA 0.383 4.733 4.350 -0.000 0.000 0.286 307 T C 0.323 175.105 174.700 0.136 0.000 1.052 307 T CA -0.342 61.799 62.100 0.067 0.000 1.024 307 T CB 0.877 69.782 68.868 0.061 0.000 1.349 307 T HN -0.009 nan 8.240 nan 0.000 0.525 308 Q N 0.744 120.601 119.800 0.095 0.000 2.268 308 Q HA -0.112 4.228 4.340 -0.000 0.000 0.210 308 Q C 0.686 176.799 176.000 0.189 0.000 0.988 308 Q CA 1.835 57.694 55.803 0.093 0.000 0.883 308 Q CB -0.321 28.461 28.738 0.074 0.000 0.911 308 Q HN 0.903 nan 8.270 nan 0.000 0.430 309 E N -0.761 119.564 120.200 0.208 0.000 3.428 309 E HA 0.346 4.696 4.350 -0.000 0.000 0.191 309 E C -0.407 176.362 176.600 0.281 0.000 0.980 309 E CA -0.207 56.306 56.400 0.188 0.000 1.305 309 E CB 0.997 30.747 29.700 0.083 0.000 1.105 309 E HN -0.064 nan 8.360 nan 0.000 0.455 310 R N 1.435 122.191 120.500 0.426 0.000 2.522 310 R HA 0.529 4.869 4.340 -0.000 0.000 0.273 310 R C -2.014 174.419 176.300 0.222 0.000 1.133 310 R CA -0.505 55.767 56.100 0.286 0.000 0.969 310 R CB 1.723 32.069 30.300 0.077 0.000 1.235 310 R HN 0.222 nan 8.270 nan 0.000 0.433 311 I N 2.699 123.263 120.570 -0.010 0.000 2.569 311 I HA 0.381 4.551 4.170 -0.000 0.000 0.290 311 I C -1.022 174.898 176.117 -0.329 0.000 1.088 311 I CA -0.364 60.681 61.300 -0.425 0.000 1.047 311 I CB 2.171 39.517 38.000 -1.090 0.000 1.237 311 I HN 0.715 nan 8.210 nan 0.000 0.421 312 S N 7.926 123.416 115.700 -0.349 0.000 2.475 312 S HA 0.746 5.216 4.470 -0.000 0.000 0.298 312 S C -1.114 173.241 174.600 -0.407 0.000 1.119 312 S CA -0.575 57.482 58.200 -0.240 0.000 1.085 312 S CB 1.173 64.332 63.200 -0.069 0.000 1.028 312 S HN 0.584 nan 8.310 nan 0.000 0.489 313 L N 2.987 123.991 121.223 -0.365 0.000 2.381 313 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 313 L C -0.275 176.312 176.870 -0.473 0.000 0.997 313 L CA -0.656 53.839 54.840 -0.576 0.000 0.818 313 L CB 2.269 43.955 42.059 -0.622 0.000 1.310 313 L HN 0.700 nan 8.230 nan 0.000 0.416 314 Q N 1.380 120.801 119.800 -0.632 0.000 2.342 314 Q HA 0.501 4.841 4.340 -0.000 0.000 0.267 314 Q C -1.817 173.855 176.000 -0.547 0.000 1.038 314 Q CA -0.631 54.929 55.803 -0.404 0.000 0.832 314 Q CB 2.893 31.472 28.738 -0.264 0.000 1.323 314 Q HN 0.428 nan 8.270 nan 0.000 0.448 315 W N 1.726 122.990 121.300 -0.060 0.000 2.950 315 W HA 0.623 5.283 4.660 -0.000 0.000 0.340 315 W C -1.185 175.363 176.519 0.050 0.000 1.139 315 W CA -0.601 56.750 57.345 0.009 0.000 1.188 315 W CB 1.213 30.651 29.460 -0.036 0.000 1.426 315 W HN 0.332 nan 8.180 nan 0.000 0.531 316 L N 2.785 124.234 121.223 0.378 0.000 2.438 316 L HA 0.531 4.871 4.340 -0.000 0.000 0.270 316 L C -0.044 176.993 176.870 0.279 0.000 0.972 316 L CA -1.267 53.753 54.840 0.301 0.000 0.831 316 L CB 1.297 43.541 42.059 0.308 0.000 1.273 316 L HN 0.335 nan 8.230 nan 0.000 0.405 317 R N 2.141 122.778 120.500 0.229 0.000 2.679 317 R HA 0.044 4.384 4.340 -0.000 0.000 0.268 317 R C 0.918 177.252 176.300 0.056 0.000 1.044 317 R CA -0.172 56.011 56.100 0.139 0.000 1.105 317 R CB 0.448 30.844 30.300 0.160 0.000 0.989 317 R HN 0.588 nan 8.270 nan 0.000 0.447 318 R N 1.818 122.264 120.500 -0.089 0.000 2.241 318 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 318 R C 0.232 176.561 176.300 0.049 0.000 1.101 318 R CA 1.211 57.237 56.100 -0.124 0.000 0.995 318 R CB -0.058 30.135 30.300 -0.178 0.000 0.870 318 R HN 0.475 nan 8.270 nan 0.000 0.463 319 I N 1.980 122.581 120.570 0.052 0.000 2.269 319 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 319 I C 0.194 176.376 176.117 0.109 0.000 1.106 319 I CA 0.015 61.357 61.300 0.070 0.000 1.248 319 I CB 1.501 39.530 38.000 0.048 0.000 1.444 319 I HN 0.073 nan 8.210 nan 0.000 0.497 320 Q N 4.143 124.010 119.800 0.113 0.000 2.283 320 Q HA -0.021 4.319 4.340 -0.000 0.000 0.223 320 Q C 0.734 176.822 176.000 0.147 0.000 0.918 320 Q CA 0.041 55.927 55.803 0.139 0.000 0.952 320 Q CB -0.302 28.492 28.738 0.093 0.000 1.030 320 Q HN 0.670 nan 8.270 nan 0.000 0.452 321 N N -0.685 118.104 118.700 0.148 0.000 2.235 321 N HA -0.054 4.686 4.740 -0.000 0.000 0.209 321 N C -1.028 174.611 175.510 0.215 0.000 1.122 321 N CA -0.105 53.033 53.050 0.146 0.000 0.845 321 N CB 0.265 38.814 38.487 0.102 0.000 1.004 321 N HN 0.204 nan 8.380 nan 0.000 0.499 322 Y N 0.100 120.439 120.300 0.065 0.000 2.362 322 Y HA 0.482 5.032 4.550 -0.000 0.000 0.326 322 Y C -1.310 174.638 175.900 0.081 0.000 1.083 322 Y CA -0.832 57.304 58.100 0.061 0.000 1.073 322 Y CB 1.602 40.088 38.460 0.044 0.000 1.211 322 Y HN 0.026 nan 8.280 nan 0.000 0.433 323 S N 4.794 120.329 115.700 -0.276 0.000 2.536 323 S HA 0.890 5.360 4.470 -0.000 0.000 0.287 323 S C -2.106 172.337 174.600 -0.263 0.000 1.101 323 S CA -0.462 57.654 58.200 -0.140 0.000 0.950 323 S CB 1.481 64.655 63.200 -0.044 0.000 1.056 323 S HN 0.484 nan 8.310 nan 0.000 0.481 324 V N 5.279 125.152 119.914 -0.068 0.000 2.577 324 V HA 0.506 4.626 4.120 -0.000 0.000 0.303 324 V C -0.259 175.889 176.094 0.089 0.000 1.042 324 V CA -0.642 61.640 62.300 -0.030 0.000 0.872 324 V CB 1.757 33.575 31.823 -0.010 0.000 0.998 324 V HN 0.986 nan 8.190 nan 0.000 0.423 325 M N 3.603 123.234 119.600 0.052 0.000 2.363 325 M HA 0.559 5.039 4.480 -0.000 0.000 0.343 325 M C -1.418 174.937 176.300 0.091 0.000 1.165 325 M CA -0.218 55.106 55.300 0.039 0.000 1.046 325 M CB 1.411 33.995 32.600 -0.026 0.000 1.648 325 M HN 0.607 nan 8.290 nan 0.000 0.452 326 D N 5.096 125.539 120.400 0.072 0.000 2.505 326 D HA 0.327 4.967 4.640 -0.000 0.000 0.250 326 D C -0.928 175.403 176.300 0.052 0.000 1.164 326 D CA -0.298 53.753 54.000 0.086 0.000 0.870 326 D CB 1.456 42.346 40.800 0.150 0.000 1.160 326 D HN 0.453 nan 8.370 nan 0.000 0.549 327 I N 3.177 123.800 120.570 0.089 0.000 2.363 327 I HA 0.172 4.342 4.170 -0.000 0.000 0.292 327 I C 0.276 176.444 176.117 0.085 0.000 1.075 327 I CA -0.472 60.886 61.300 0.096 0.000 1.333 327 I CB 0.032 38.130 38.000 0.164 0.000 1.415 327 I HN 0.262 nan 8.210 nan 0.000 0.502 328 c N 5.557 124.206 118.600 0.083 0.000 2.264 328 c HA 0.370 4.940 4.570 -0.000 0.000 0.322 328 c C 0.434 174.698 174.090 0.290 0.000 1.210 328 c CA -0.860 55.568 56.329 0.164 0.000 1.539 328 c CB 0.267 42.865 42.510 0.147 0.000 2.167 328 c HN 0.603 nan 8.230 nan 0.000 0.463 329 D N 0.799 121.319 120.400 0.200 0.000 2.253 329 D HA 0.212 4.852 4.640 -0.000 0.000 0.249 329 D C -0.466 175.811 176.300 -0.039 0.000 1.049 329 D CA -0.045 54.030 54.000 0.125 0.000 0.929 329 D CB 1.077 41.909 40.800 0.053 0.000 1.176 329 D HN 0.604 nan 8.370 nan 0.000 0.437 330 Y N 1.134 121.154 120.300 -0.466 0.000 2.299 330 Y HA 0.200 4.750 4.550 -0.000 0.000 0.326 330 Y C -0.257 175.375 175.900 -0.446 0.000 1.164 330 Y CA -0.151 57.385 58.100 -0.940 0.000 1.234 330 Y CB 0.927 38.663 38.460 -1.208 0.000 1.219 330 Y HN 0.112 nan 8.280 nan 0.000 0.497 331 D N 4.591 124.337 120.400 -1.091 0.000 2.344 331 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 331 D C 0.532 176.313 176.300 -0.865 0.000 1.064 331 D CA -0.250 53.326 54.000 -0.707 0.000 0.829 331 D CB 1.631 42.180 40.800 -0.418 0.000 1.129 331 D HN 0.804 nan 8.370 nan 0.000 0.506 332 E N 1.607 121.554 120.200 -0.422 0.000 2.007 332 E HA -0.186 4.164 4.350 -0.000 0.000 0.203 332 E C 1.569 178.070 176.600 -0.166 0.000 1.020 332 E CA 1.758 58.052 56.400 -0.177 0.000 0.845 332 E CB -0.126 29.561 29.700 -0.023 0.000 0.779 332 E HN 0.370 nan 8.360 nan 0.000 0.466 333 S N -0.481 115.146 115.700 -0.121 0.000 2.400 333 S HA -0.249 4.221 4.470 -0.000 0.000 0.234 333 S C 2.036 176.584 174.600 -0.086 0.000 1.049 333 S CA 1.724 59.877 58.200 -0.079 0.000 1.039 333 S CB -0.515 62.645 63.200 -0.066 0.000 0.856 333 S HN 0.480 nan 8.310 nan 0.000 0.465 334 S N -0.277 115.338 115.700 -0.141 0.000 2.412 334 S HA 0.397 4.867 4.470 -0.000 0.000 0.223 334 S C 1.597 176.139 174.600 -0.096 0.000 1.048 334 S CA 0.512 58.645 58.200 -0.113 0.000 0.954 334 S CB -0.584 62.542 63.200 -0.122 0.000 0.840 334 S HN 0.902 nan 8.310 nan 0.000 0.503 335 G N 2.601 111.290 108.800 -0.185 0.000 2.212 335 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.255 335 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.255 335 G C -0.104 174.780 174.900 -0.026 0.000 1.062 335 G CA -0.084 44.974 45.100 -0.069 0.000 0.815 335 G HN 0.569 nan 8.290 nan 0.000 0.497 336 R N -1.784 118.607 120.500 -0.182 0.000 2.888 336 R HA 0.686 5.026 4.340 -0.000 0.000 0.264 336 R C -1.291 174.905 176.300 -0.172 0.000 1.045 336 R CA -1.135 54.943 56.100 -0.036 0.000 0.962 336 R CB 0.968 31.263 30.300 -0.008 0.000 1.210 336 R HN 0.131 nan 8.270 nan 0.000 0.479 337 W N 1.063 122.338 121.300 -0.043 0.000 2.411 337 W HA 0.410 5.070 4.660 -0.000 0.000 0.317 337 W C -0.415 176.081 176.519 -0.039 0.000 1.030 337 W CA -0.369 56.957 57.345 -0.032 0.000 1.239 337 W CB 1.164 30.619 29.460 -0.007 0.000 1.304 337 W HN 0.477 nan 8.180 nan 0.000 0.437 338 N N 2.345 121.107 118.700 0.104 0.000 2.430 338 N HA 0.538 5.278 4.740 -0.000 0.000 0.292 338 N C -1.302 174.255 175.510 0.079 0.000 1.051 338 N CA -0.712 52.374 53.050 0.060 0.000 0.917 338 N CB 1.231 39.715 38.487 -0.004 0.000 1.164 338 N HN 0.149 nan 8.380 nan 0.000 0.484 339 c N 2.856 121.490 118.600 0.055 0.000 2.242 339 c HA 0.300 4.869 4.570 -0.000 0.000 0.317 339 c C -0.034 174.067 174.090 0.019 0.000 1.087 339 c CA -0.792 55.566 56.329 0.048 0.000 1.535 339 c CB -1.338 41.197 42.510 0.041 0.000 1.893 339 c HN 0.611 nan 8.230 nan 0.000 0.426 340 L N 3.366 124.602 121.223 0.021 0.000 2.462 340 L HA 0.079 4.419 4.340 -0.000 0.000 0.272 340 L C 1.417 178.283 176.870 -0.007 0.000 1.166 340 L CA 0.627 55.469 54.840 0.004 0.000 0.880 340 L CB 0.899 42.963 42.059 0.008 0.000 1.142 340 L HN 0.644 nan 8.230 nan 0.000 0.473 341 V N 4.103 124.005 119.914 -0.020 0.000 2.688 341 V HA -0.281 3.839 4.120 -0.000 0.000 0.256 341 V C 2.136 178.207 176.094 -0.039 0.000 1.084 341 V CA 1.650 63.931 62.300 -0.030 0.000 1.103 341 V CB -1.441 30.362 31.823 -0.033 0.000 0.688 341 V HN 0.956 nan 8.190 nan 0.000 0.480 342 A N 0.536 123.333 122.820 -0.037 0.000 2.014 342 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 342 A C 2.317 179.848 177.584 -0.088 0.000 1.163 342 A CA 0.913 52.918 52.037 -0.053 0.000 0.652 342 A CB -0.334 18.645 19.000 -0.036 0.000 0.808 342 A HN 0.548 nan 8.150 nan 0.000 0.449 343 R N 0.149 120.614 120.500 -0.059 0.000 2.313 343 R HA 0.065 4.405 4.340 -0.000 0.000 0.199 343 R C -0.040 176.182 176.300 -0.130 0.000 0.958 343 R CA 0.030 56.096 56.100 -0.056 0.000 1.047 343 R CB -0.061 30.269 30.300 0.049 0.000 0.955 343 R HN 0.625 nan 8.270 nan 0.000 0.481 344 Q N 1.109 120.827 119.800 -0.137 0.000 2.332 344 Q HA 0.078 4.418 4.340 -0.000 0.000 0.263 344 Q C -0.494 175.365 176.000 -0.234 0.000 0.979 344 Q CA 0.456 56.202 55.803 -0.095 0.000 0.885 344 Q CB 0.813 29.522 28.738 -0.048 0.000 1.218 344 Q HN 0.213 nan 8.270 nan 0.000 0.405 345 H N 2.459 121.566 119.070 0.061 0.000 2.646 345 H HA 0.292 4.848 4.556 -0.000 0.000 0.328 345 H C -0.800 174.538 175.328 0.016 0.000 0.998 345 H CA -0.658 55.444 56.048 0.089 0.000 1.225 345 H CB 0.957 30.830 29.762 0.184 0.000 1.457 345 H HN 0.439 nan 8.280 nan 0.000 0.505 346 I N 3.060 123.683 120.570 0.089 0.000 2.281 346 I HA 0.003 4.173 4.170 -0.000 0.000 0.293 346 I C 0.662 176.759 176.117 -0.032 0.000 1.085 346 I CA 0.189 61.451 61.300 -0.064 0.000 1.257 346 I CB 0.456 38.414 38.000 -0.070 0.000 1.430 346 I HN 0.479 nan 8.210 nan 0.000 0.489 347 E N 8.569 128.720 120.200 -0.082 0.000 2.146 347 E HA 0.583 4.933 4.350 -0.000 0.000 0.282 347 E C -0.673 175.875 176.600 -0.087 0.000 0.989 347 E CA -0.536 55.843 56.400 -0.035 0.000 0.799 347 E CB 0.807 30.497 29.700 -0.017 0.000 1.088 347 E HN 0.624 nan 8.360 nan 0.000 0.397 348 M N 1.734 121.331 119.600 -0.006 0.000 2.664 348 M HA 0.577 5.057 4.480 -0.000 0.000 0.279 348 M C -1.437 174.901 176.300 0.063 0.000 1.275 348 M CA -0.858 54.472 55.300 0.049 0.000 0.829 348 M CB 2.360 35.045 32.600 0.142 0.000 1.727 348 M HN 0.271 nan 8.290 nan 0.000 0.459 349 S N -0.344 115.400 115.700 0.073 0.000 2.571 349 S HA 0.508 4.978 4.470 -0.000 0.000 0.284 349 S C 0.271 174.894 174.600 0.038 0.000 1.128 349 S CA 0.049 58.276 58.200 0.045 0.000 0.970 349 S CB 1.732 64.948 63.200 0.027 0.000 1.039 349 S HN 0.933 nan 8.310 nan 0.000 0.485 350 T N 0.286 114.858 114.554 0.029 0.000 3.081 350 T HA 0.066 4.416 4.350 -0.000 0.000 0.255 350 T C 1.248 175.952 174.700 0.006 0.000 1.113 350 T CA 1.039 63.152 62.100 0.021 0.000 1.082 350 T CB -0.401 68.478 68.868 0.018 0.000 0.939 350 T HN 0.698 nan 8.240 nan 0.000 0.506 351 T N -2.677 111.880 114.554 0.004 0.000 3.004 351 T HA 0.653 5.003 4.350 -0.000 0.000 0.266 351 T C 0.979 175.580 174.700 -0.165 0.000 0.986 351 T CA 0.110 62.212 62.100 0.003 0.000 0.902 351 T CB 0.838 69.757 68.868 0.084 0.000 1.118 351 T HN 0.631 nan 8.240 nan 0.000 0.522 352 G N 0.937 109.512 108.800 -0.375 0.000 2.565 352 G HA2 0.451 4.411 3.960 -0.000 0.000 0.142 352 G HA3 0.451 4.411 3.960 -0.000 0.000 0.142 352 G C -1.897 172.765 174.900 -0.397 0.000 1.181 352 G CA -0.473 44.149 45.100 -0.796 0.000 1.066 352 G HN 0.472 nan 8.290 nan 0.000 0.530 353 W N 0.303 121.353 121.300 -0.418 0.000 2.578 353 W HA 0.782 5.442 4.660 0.000 0.000 0.353 353 W C -0.397 176.117 176.519 -0.008 0.000 1.088 353 W CA -1.444 55.810 57.345 -0.152 0.000 1.235 353 W CB 1.234 30.570 29.460 -0.206 0.000 1.362 353 W HN 0.285 nan 8.180 nan 0.000 0.592 354 V N 4.101 124.120 119.914 0.176 0.000 2.488 354 V HA 0.619 4.739 4.120 -0.000 0.000 0.277 354 V C 0.870 177.056 176.094 0.153 0.000 1.046 354 V CA 0.909 63.269 62.300 0.101 0.000 0.986 354 V CB -0.115 31.760 31.823 0.087 0.000 0.989 354 V HN 1.291 nan 8.190 nan 0.000 0.475 355 G N 5.002 113.846 108.800 0.073 0.000 2.712 355 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.683 355 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.683 355 G C 0.243 175.214 174.900 0.119 0.000 1.320 355 G CA 0.155 45.314 45.100 0.097 0.000 0.847 355 G HN 0.623 nan 8.290 nan 0.000 0.553 356 R N -0.816 119.742 120.500 0.097 0.000 2.064 356 R HA 0.129 4.469 4.340 -0.000 0.000 0.228 356 R C 2.101 178.349 176.300 -0.087 0.000 1.144 356 R CA 2.538 58.644 56.100 0.009 0.000 0.932 356 R CB -0.152 30.175 30.300 0.046 0.000 0.833 356 R HN 0.504 nan 8.270 nan 0.000 0.429 357 F N -1.166 118.919 119.950 0.226 0.000 2.537 357 F HA 0.208 4.735 4.527 -0.000 0.000 0.275 357 F C 0.647 176.493 175.800 0.077 0.000 0.947 357 F CA -0.456 57.634 58.000 0.149 0.000 1.238 357 F CB 0.184 39.261 39.000 0.128 0.000 1.071 357 F HN -0.136 nan 8.300 nan 0.000 0.749 358 R N 0.567 121.231 120.500 0.273 0.000 2.856 358 R HA 0.584 4.924 4.340 -0.000 0.000 0.258 358 R C -3.009 173.370 176.300 0.132 0.000 1.066 358 R CA -2.105 54.083 56.100 0.146 0.000 1.045 358 R CB -0.455 29.911 30.300 0.110 0.000 1.178 358 R HN -0.235 nan 8.270 nan 0.000 0.499 359 P HA 0.016 nan 4.420 nan 0.000 0.265 359 P C -0.677 176.639 177.300 0.028 0.000 1.193 359 P CA 0.027 63.154 63.100 0.044 0.000 0.765 359 P CB 0.651 32.355 31.700 0.006 0.000 0.823 360 S N 1.804 117.520 115.700 0.026 0.000 2.554 360 S HA -0.022 4.448 4.470 -0.000 0.000 0.290 360 S C 0.204 174.779 174.600 -0.042 0.000 1.309 360 S CA -0.500 57.716 58.200 0.027 0.000 1.047 360 S CB -0.323 62.902 63.200 0.042 0.000 0.828 360 S HN 0.467 nan 8.310 nan 0.000 0.509 361 E N 2.278 122.462 120.200 -0.026 0.000 2.373 361 E HA 0.325 4.675 4.350 -0.000 0.000 0.267 361 E C -2.560 173.918 176.600 -0.203 0.000 1.032 361 E CA -1.893 54.419 56.400 -0.146 0.000 0.889 361 E CB -0.240 29.361 29.700 -0.165 0.000 0.984 361 E HN 0.328 nan 8.360 nan 0.000 0.425 362 P HA 0.125 nan 4.420 nan 0.000 0.288 362 P C -1.017 175.998 177.300 -0.474 0.000 1.267 362 P CA -0.326 62.475 63.100 -0.498 0.000 0.815 362 P CB 0.814 31.882 31.700 -1.053 0.000 0.989 363 H N 2.611 121.603 119.070 -0.131 0.000 2.638 363 H HA 0.299 4.855 4.556 -0.000 0.000 0.317 363 H C -0.401 174.998 175.328 0.117 0.000 1.006 363 H CA -0.345 55.737 56.048 0.057 0.000 1.222 363 H CB 0.497 30.346 29.762 0.145 0.000 1.419 363 H HN 0.328 nan 8.280 nan 0.000 0.489 364 F N 2.007 122.126 119.950 0.281 0.000 2.396 364 F HA 0.050 4.577 4.527 -0.000 0.000 0.343 364 F C 1.501 177.487 175.800 0.310 0.000 1.104 364 F CA -0.568 57.611 58.000 0.298 0.000 1.161 364 F CB 1.171 40.283 39.000 0.186 0.000 1.146 364 F HN 0.401 nan 8.300 nan 0.000 0.522 365 T N 1.745 116.605 114.554 0.510 0.000 2.932 365 T HA 0.036 4.386 4.350 -0.000 0.000 0.312 365 T C 1.146 176.045 174.700 0.331 0.000 1.071 365 T CA -0.768 61.571 62.100 0.399 0.000 1.128 365 T CB 0.794 69.888 68.868 0.377 0.000 0.984 365 T HN 0.629 nan 8.240 nan 0.000 0.549 366 L N 2.354 123.723 121.223 0.243 0.000 2.043 366 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 366 L C 2.184 179.156 176.870 0.169 0.000 1.075 366 L CA 2.807 57.759 54.840 0.188 0.000 0.752 366 L CB -1.196 40.947 42.059 0.141 0.000 0.891 366 L HN 0.984 nan 8.230 nan 0.000 0.432 367 D N -1.273 119.228 120.400 0.168 0.000 2.117 367 D HA -0.003 4.637 4.640 -0.000 0.000 0.197 367 D C 1.727 178.120 176.300 0.156 0.000 0.987 367 D CA 1.397 55.484 54.000 0.144 0.000 0.829 367 D CB -0.562 40.319 40.800 0.134 0.000 0.961 367 D HN 0.493 nan 8.370 nan 0.000 0.460 368 G N -0.594 108.340 108.800 0.224 0.000 2.192 368 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.193 368 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.193 368 G C 0.624 175.725 174.900 0.334 0.000 0.999 368 G CA 0.145 45.395 45.100 0.250 0.000 0.659 368 G HN 0.384 nan 8.290 nan 0.000 0.503 369 N N 0.268 119.131 118.700 0.273 0.000 2.353 369 N HA 0.333 5.073 4.740 -0.000 0.000 0.185 369 N C 0.725 176.336 175.510 0.169 0.000 1.098 369 N CA 0.810 53.988 53.050 0.213 0.000 0.872 369 N CB 0.391 38.960 38.487 0.137 0.000 0.970 369 N HN 0.542 nan 8.380 nan 0.000 0.467 370 S N -0.393 115.436 115.700 0.215 0.000 2.705 370 S HA 0.783 5.253 4.470 -0.000 0.000 0.280 370 S C -1.142 173.494 174.600 0.059 0.000 1.174 370 S CA -1.053 57.105 58.200 -0.070 0.000 0.823 370 S CB 1.716 64.799 63.200 -0.195 0.000 1.162 370 S HN 0.193 nan 8.310 nan 0.000 0.487 371 F N -2.454 117.283 119.950 -0.355 0.000 2.769 371 F HA 0.716 5.243 4.527 0.000 0.000 0.313 371 F C -2.369 173.206 175.800 -0.374 0.000 1.146 371 F CA -1.562 56.221 58.000 -0.362 0.000 0.934 371 F CB 0.219 38.708 39.000 -0.852 0.000 1.283 371 F HN 0.574 nan 8.300 nan 0.000 0.443 372 Y N 1.007 121.464 120.300 0.260 0.000 2.457 372 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 372 Y C -0.152 175.880 175.900 0.221 0.000 1.119 372 Y CA -1.139 57.092 58.100 0.218 0.000 1.143 372 Y CB 1.965 40.518 38.460 0.156 0.000 1.230 372 Y HN 0.746 nan 8.280 nan 0.000 0.469 373 K N 2.292 122.866 120.400 0.291 0.000 2.582 373 K HA 0.369 4.689 4.320 -0.000 0.000 0.259 373 K C -1.779 174.906 176.600 0.142 0.000 0.973 373 K CA -0.414 55.962 56.287 0.150 0.000 0.880 373 K CB 1.312 33.764 32.500 -0.080 0.000 1.310 373 K HN 0.730 nan 8.250 nan 0.000 0.443 374 I N 5.097 125.743 120.570 0.128 0.000 2.587 374 I HA 0.069 4.239 4.170 -0.000 0.000 0.284 374 I C -0.068 176.119 176.117 0.116 0.000 1.134 374 I CA 0.121 61.492 61.300 0.118 0.000 1.410 374 I CB 0.215 38.270 38.000 0.092 0.000 1.392 374 I HN 0.416 nan 8.210 nan 0.000 0.545 375 I N 5.030 125.708 120.570 0.180 0.000 2.865 375 I HA 0.204 4.374 4.170 -0.000 0.000 0.302 375 I C -0.036 176.206 176.117 0.208 0.000 1.140 375 I CA -0.244 61.173 61.300 0.195 0.000 1.021 375 I CB 2.303 40.458 38.000 0.258 0.000 1.233 375 I HN 0.416 nan 8.210 nan 0.000 0.427 376 S N 3.869 119.637 115.700 0.114 0.000 2.499 376 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 376 S C -0.096 174.539 174.600 0.058 0.000 1.257 376 S CA -0.539 57.673 58.200 0.020 0.000 1.050 376 S CB -0.144 63.003 63.200 -0.089 0.000 0.937 376 S HN 0.658 nan 8.310 nan 0.000 0.490 377 N N 3.977 122.633 118.700 -0.073 0.000 2.374 377 N HA 0.208 4.947 4.740 -0.000 0.000 0.284 377 N C 0.728 176.138 175.510 -0.166 0.000 1.280 377 N CA -0.226 52.666 53.050 -0.262 0.000 0.963 377 N CB -0.113 37.868 38.487 -0.843 0.000 1.141 377 N HN 0.572 nan 8.380 nan 0.000 0.565 378 E N -0.541 119.545 120.200 -0.190 0.000 2.077 378 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 378 E C 1.308 177.839 176.600 -0.116 0.000 0.989 378 E CA 1.565 57.898 56.400 -0.113 0.000 0.800 378 E CB -0.200 29.441 29.700 -0.098 0.000 0.746 378 E HN 0.615 nan 8.360 nan 0.000 0.452 379 E N -0.737 119.385 120.200 -0.129 0.000 2.274 379 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 379 E C 1.309 177.806 176.600 -0.172 0.000 0.996 379 E CA 1.007 57.352 56.400 -0.090 0.000 0.840 379 E CB 0.284 29.986 29.700 0.003 0.000 0.772 379 E HN 0.427 nan 8.360 nan 0.000 0.491 380 G N 0.195 108.867 108.800 -0.213 0.000 2.260 380 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.179 380 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.179 380 G C -0.224 174.424 174.900 -0.421 0.000 1.002 380 G CA -0.398 44.490 45.100 -0.352 0.000 0.677 380 G HN 0.157 nan 8.290 nan 0.000 0.486 381 Y N 1.778 121.962 120.300 -0.192 0.000 2.310 381 Y HA 0.637 5.187 4.550 -0.000 0.000 0.326 381 Y C 1.308 177.115 175.900 -0.155 0.000 1.151 381 Y CA -0.659 57.330 58.100 -0.185 0.000 1.195 381 Y CB 0.735 39.096 38.460 -0.165 0.000 1.210 381 Y HN 0.017 nan 8.280 nan 0.000 0.483 382 R N 3.611 124.049 120.500 -0.103 0.000 2.298 382 R HA 0.310 4.650 4.340 -0.000 0.000 0.310 382 R C -0.683 175.403 176.300 -0.356 0.000 1.068 382 R CA -0.218 55.807 56.100 -0.126 0.000 0.957 382 R CB 0.362 30.606 30.300 -0.093 0.000 1.003 382 R HN 0.729 nan 8.270 nan 0.000 0.454 383 H N 1.226 120.282 119.070 -0.023 0.000 2.942 383 H HA 0.384 4.940 4.556 -0.000 0.000 0.316 383 H C -0.182 175.202 175.328 0.093 0.000 1.323 383 H CA -0.858 55.155 56.048 -0.058 0.000 1.144 383 H CB 1.625 31.283 29.762 -0.172 0.000 1.866 383 H HN 0.296 nan 8.280 nan 0.000 0.545 384 I N 1.351 122.030 120.570 0.182 0.000 2.395 384 I HA 0.123 4.293 4.170 -0.000 0.000 0.289 384 I C 0.143 176.342 176.117 0.137 0.000 1.023 384 I CA -0.097 61.279 61.300 0.127 0.000 1.350 384 I CB 0.711 38.712 38.000 0.002 0.000 1.409 384 I HN 0.128 nan 8.210 nan 0.000 0.507 385 c N 6.862 125.513 118.600 0.084 0.000 2.408 385 c HA 0.378 4.948 4.570 -0.000 0.000 0.321 385 c C -0.228 173.875 174.090 0.021 0.000 1.245 385 c CA -0.490 55.745 56.329 -0.157 0.000 1.523 385 c CB 1.072 43.408 42.510 -0.291 0.000 2.178 385 c HN 0.637 nan 8.230 nan 0.000 0.488 386 Y N 4.756 124.840 120.300 -0.359 0.000 2.383 386 Y HA 0.575 5.125 4.550 -0.000 0.000 0.344 386 Y C -0.927 174.611 175.900 -0.604 0.000 0.986 386 Y CA -0.658 57.137 58.100 -0.508 0.000 1.175 386 Y CB 0.020 38.211 38.460 -0.450 0.000 1.152 386 Y HN 0.581 nan 8.280 nan 0.000 0.511 387 F N 4.550 123.735 119.950 -1.275 0.000 2.427 387 F HA 0.428 4.955 4.527 0.000 0.000 0.346 387 F C -0.065 174.832 175.800 -1.505 0.000 1.120 387 F CA -0.712 56.434 58.000 -1.423 0.000 1.033 387 F CB 1.420 39.235 39.000 -1.975 0.000 1.126 387 F HN 0.365 nan 8.300 nan 0.000 0.462 388 Q N 3.838 123.104 119.800 -0.891 0.000 2.290 388 Q HA 0.330 4.670 4.340 -0.000 0.000 0.259 388 Q C 1.061 176.930 176.000 -0.217 0.000 0.941 388 Q CA -0.457 55.021 55.803 -0.541 0.000 0.912 388 Q CB 2.349 30.856 28.738 -0.385 0.000 1.244 388 Q HN 0.781 nan 8.270 nan 0.000 0.441 389 I N 1.668 122.202 120.570 -0.061 0.000 3.010 389 I HA -0.234 3.936 4.170 -0.000 0.000 0.271 389 I C 0.600 176.829 176.117 0.187 0.000 1.293 389 I CA 1.175 62.587 61.300 0.187 0.000 1.452 389 I CB 0.287 38.447 38.000 0.267 0.000 1.082 389 I HN 0.666 nan 8.210 nan 0.000 0.484 390 D N -0.242 120.205 120.400 0.077 0.000 2.479 390 D HA 0.087 4.727 4.640 -0.000 0.000 0.216 390 D C 0.241 176.540 176.300 -0.001 0.000 1.110 390 D CA 0.238 54.261 54.000 0.038 0.000 0.841 390 D CB 0.645 41.460 40.800 0.024 0.000 1.040 390 D HN 0.151 nan 8.370 nan 0.000 0.505 391 K N 1.059 121.458 120.400 -0.002 0.000 2.123 391 K HA 0.250 4.570 4.320 -0.000 0.000 0.248 391 K C 0.921 177.514 176.600 -0.012 0.000 0.969 391 K CA -0.556 55.711 56.287 -0.034 0.000 0.882 391 K CB 2.380 34.837 32.500 -0.072 0.000 1.080 391 K HN -0.191 nan 8.250 nan 0.000 0.441 392 K N 0.821 121.193 120.400 -0.047 0.000 1.991 392 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 392 K C -0.221 176.333 176.600 -0.077 0.000 1.045 392 K CA 1.153 57.418 56.287 -0.037 0.000 0.937 392 K CB -0.026 32.447 32.500 -0.046 0.000 0.720 392 K HN 0.505 nan 8.250 nan 0.000 0.438 393 D N 0.697 121.012 120.400 -0.141 0.000 2.399 393 D HA 0.034 4.674 4.640 -0.000 0.000 0.241 393 D C -0.328 175.705 176.300 -0.445 0.000 1.133 393 D CA -0.129 53.733 54.000 -0.231 0.000 0.890 393 D CB 0.915 41.618 40.800 -0.161 0.000 1.201 393 D HN 0.374 nan 8.370 nan 0.000 0.432 394 c N 0.305 118.510 118.600 -0.659 0.000 2.399 394 c HA 0.856 5.425 4.570 -0.000 0.000 0.348 394 c C 0.011 173.742 174.090 -0.599 0.000 1.183 394 c CA -0.728 55.042 56.329 -0.932 0.000 2.023 394 c CB 1.001 42.395 42.510 -1.860 0.000 2.361 394 c HN 0.555 nan 8.230 nan 0.000 0.521 395 T N 1.388 115.659 114.554 -0.472 0.000 2.794 395 T HA 0.519 4.869 4.350 -0.000 0.000 0.280 395 T C -0.757 173.742 174.700 -0.335 0.000 0.987 395 T CA -0.062 61.886 62.100 -0.254 0.000 0.993 395 T CB 0.626 69.477 68.868 -0.028 0.000 0.939 395 T HN 0.505 nan 8.240 nan 0.000 0.449 396 F N 2.812 122.694 119.950 -0.113 0.000 2.445 396 F HA 0.300 4.827 4.527 -0.000 0.000 0.359 396 F C 1.540 177.246 175.800 -0.157 0.000 1.101 396 F CA -1.266 56.657 58.000 -0.128 0.000 1.177 396 F CB 0.475 39.389 39.000 -0.143 0.000 1.110 396 F HN 0.618 nan 8.300 nan 0.000 0.522 397 I N 0.015 120.540 120.570 -0.077 0.000 3.883 397 I HA 0.220 4.390 4.170 -0.000 0.000 0.326 397 I C 0.337 176.403 176.117 -0.086 0.000 1.283 397 I CA 0.182 61.309 61.300 -0.289 0.000 1.161 397 I CB -0.178 37.353 38.000 -0.783 0.000 1.012 397 I HN 0.493 nan 8.210 nan 0.000 0.421 398 T N -0.572 113.968 114.554 -0.023 0.000 2.864 398 T HA 0.670 5.019 4.350 -0.000 0.000 0.299 398 T C -0.802 173.660 174.700 -0.396 0.000 1.166 398 T CA -0.690 61.378 62.100 -0.052 0.000 1.007 398 T CB 2.676 71.574 68.868 0.050 0.000 1.219 398 T HN 0.406 nan 8.240 nan 0.000 0.506 399 K N -0.049 119.999 120.400 -0.587 0.000 2.711 399 K HA 0.651 4.971 4.320 -0.000 0.000 0.294 399 K C -0.518 175.605 176.600 -0.796 0.000 1.037 399 K CA -0.252 55.358 56.287 -1.127 0.000 0.858 399 K CB 1.204 33.317 32.500 -0.644 0.000 1.521 399 K HN 2.048 nan 8.250 nan 0.000 0.386 400 G N -0.028 108.273 108.800 -0.831 0.000 2.357 400 G HA2 0.018 3.978 3.960 -0.000 0.000 0.643 400 G HA3 0.018 3.978 3.960 -0.000 0.000 0.643 400 G C -0.456 173.912 174.900 -0.887 0.000 1.358 400 G CA -0.203 44.565 45.100 -0.553 0.000 0.986 400 G HN 1.145 nan 8.290 nan 0.000 0.620 401 T N -0.290 113.894 114.554 -0.617 0.000 4.320 401 T HA 0.490 4.840 4.350 -0.000 0.000 0.221 401 T C 0.435 174.838 174.700 -0.495 0.000 0.896 401 T CA 0.833 62.348 62.100 -0.976 0.000 0.928 401 T CB -1.006 67.588 68.868 -0.456 0.000 1.369 401 T HN 1.435 nan 8.240 nan 0.000 0.836 402 W N -0.649 120.352 121.300 -0.498 0.000 2.940 402 W HA 0.745 5.405 4.660 -0.000 0.000 0.394 402 W C -1.111 175.307 176.519 -0.169 0.000 1.155 402 W CA -1.078 56.149 57.345 -0.197 0.000 1.165 402 W CB 0.832 30.211 29.460 -0.135 0.000 1.492 402 W HN 0.152 nan 8.180 nan 0.000 0.593 403 E N 0.355 120.635 120.200 0.134 0.000 2.393 403 E HA 0.484 4.834 4.350 -0.000 0.000 0.273 403 E C -1.388 175.222 176.600 0.018 0.000 0.918 403 E CA -0.993 55.315 56.400 -0.154 0.000 0.773 403 E CB 3.437 33.166 29.700 0.048 0.000 1.275 403 E HN 0.181 nan 8.360 nan 0.000 0.451 404 V N 3.786 123.608 119.914 -0.154 0.000 2.465 404 V HA 0.102 4.222 4.120 -0.000 0.000 0.279 404 V C 1.023 177.176 176.094 0.098 0.000 1.045 404 V CA -0.281 62.027 62.300 0.014 0.000 0.938 404 V CB 1.044 32.802 31.823 -0.110 0.000 0.986 404 V HN 0.685 nan 8.190 nan 0.000 0.467 405 I N 2.783 123.438 120.570 0.141 0.000 2.339 405 I HA 0.254 4.424 4.170 -0.000 0.000 0.245 405 I C 1.137 177.350 176.117 0.160 0.000 1.096 405 I CA 1.215 62.599 61.300 0.141 0.000 1.408 405 I CB -0.668 37.355 38.000 0.038 0.000 1.092 405 I HN 0.743 nan 8.210 nan 0.000 0.423 406 G N 0.411 109.305 108.800 0.157 0.000 2.698 406 G HA2 0.620 4.580 3.960 -0.000 0.000 0.293 406 G HA3 0.620 4.580 3.960 -0.000 0.000 0.293 406 G C -1.293 173.690 174.900 0.139 0.000 1.437 406 G CA -0.450 44.743 45.100 0.157 0.000 0.852 406 G HN -0.053 nan 8.290 nan 0.000 0.499 407 I N 0.660 121.263 120.570 0.054 0.000 2.499 407 I HA 0.372 4.542 4.170 -0.000 0.000 0.296 407 I C 0.578 176.637 176.117 -0.097 0.000 0.992 407 I CA -0.513 60.723 61.300 -0.106 0.000 1.297 407 I CB 1.938 39.656 38.000 -0.471 0.000 1.410 407 I HN 0.529 nan 8.210 nan 0.000 0.507 408 E N 3.706 123.868 120.200 -0.064 0.000 2.444 408 E HA 0.364 4.714 4.350 -0.000 0.000 0.209 408 E C -0.343 176.144 176.600 -0.188 0.000 0.806 408 E CA 0.123 56.528 56.400 0.009 0.000 1.240 408 E CB 1.278 31.081 29.700 0.172 0.000 1.238 408 E HN 0.593 nan 8.360 nan 0.000 0.591 409 A N 1.085 123.708 122.820 -0.329 0.000 2.547 409 A HA 0.637 4.957 4.320 -0.000 0.000 0.297 409 A C -1.849 175.622 177.584 -0.189 0.000 1.056 409 A CA -0.548 51.190 52.037 -0.500 0.000 0.688 409 A CB 1.468 19.581 19.000 -1.478 0.000 1.282 409 A HN 0.030 nan 8.150 nan 0.000 0.400 410 L N 2.015 123.174 121.223 -0.106 0.000 2.376 410 L HA 0.777 5.117 4.340 -0.000 0.000 0.275 410 L C 0.388 177.279 176.870 0.035 0.000 0.987 410 L CA 0.367 55.205 54.840 -0.003 0.000 0.828 410 L CB 1.894 43.991 42.059 0.063 0.000 1.249 410 L HN 1.041 nan 8.230 nan 0.000 0.409 411 T N -0.282 114.323 114.554 0.085 0.000 2.841 411 T HA 0.408 4.758 4.350 -0.000 0.000 0.276 411 T C 1.054 175.806 174.700 0.086 0.000 1.003 411 T CA -0.095 62.066 62.100 0.101 0.000 0.995 411 T CB 1.205 70.180 68.868 0.178 0.000 1.260 411 T HN 0.327 nan 8.240 nan 0.000 0.581 412 S N 0.567 116.313 115.700 0.076 0.000 2.365 412 S HA -0.147 4.323 4.470 -0.000 0.000 0.225 412 S C 1.430 176.020 174.600 -0.016 0.000 1.039 412 S CA 1.888 60.115 58.200 0.046 0.000 1.033 412 S CB -0.628 62.595 63.200 0.038 0.000 0.887 412 S HN 0.794 nan 8.310 nan 0.000 0.447 413 D N -1.721 118.646 120.400 -0.055 0.000 2.355 413 D HA 0.117 4.757 4.640 -0.000 0.000 0.206 413 D C -0.350 175.597 176.300 -0.587 0.000 1.010 413 D CA 0.570 54.373 54.000 -0.327 0.000 0.875 413 D CB 0.333 40.899 40.800 -0.391 0.000 0.966 413 D HN 0.384 nan 8.370 nan 0.000 0.512 414 Y N 0.096 120.379 120.300 -0.029 0.000 2.524 414 Y HA 0.453 5.003 4.550 -0.000 0.000 0.347 414 Y C -0.619 175.197 175.900 -0.140 0.000 1.005 414 Y CA -1.014 57.009 58.100 -0.130 0.000 1.025 414 Y CB 2.399 40.704 38.460 -0.259 0.000 1.275 414 Y HN -0.246 nan 8.280 nan 0.000 0.460 415 L N 2.798 123.981 121.223 -0.067 0.000 2.322 415 L HA 0.584 4.924 4.340 -0.000 0.000 0.281 415 L C -1.725 175.079 176.870 -0.110 0.000 1.014 415 L CA -0.579 54.195 54.840 -0.110 0.000 0.815 415 L CB 0.767 42.661 42.059 -0.275 0.000 1.247 415 L HN 0.594 nan 8.230 nan 0.000 0.421 416 Y N 4.790 125.011 120.300 -0.131 0.000 2.331 416 Y HA 0.496 5.046 4.550 -0.000 0.000 0.338 416 Y C -0.551 175.335 175.900 -0.023 0.000 0.992 416 Y CA -0.307 57.706 58.100 -0.145 0.000 1.121 416 Y CB 1.297 39.567 38.460 -0.316 0.000 1.184 416 Y HN 0.504 nan 8.280 nan 0.000 0.469 417 Y N 1.557 121.905 120.300 0.080 0.000 2.553 417 Y HA 0.784 5.334 4.550 -0.000 0.000 0.347 417 Y C -1.618 174.352 175.900 0.118 0.000 1.019 417 Y CA -1.926 56.217 58.100 0.071 0.000 1.032 417 Y CB 1.113 39.597 38.460 0.040 0.000 1.284 417 Y HN 0.319 nan 8.280 nan 0.000 0.466 418 I N 3.423 124.175 120.570 0.305 0.000 2.392 418 I HA 0.593 4.763 4.170 -0.000 0.000 0.295 418 I C -0.079 176.229 176.117 0.317 0.000 0.985 418 I CA -0.361 61.065 61.300 0.210 0.000 1.221 418 I CB 1.661 39.725 38.000 0.107 0.000 1.366 418 I HN 0.876 nan 8.210 nan 0.000 0.467 419 S N 3.597 119.443 115.700 0.243 0.000 2.596 419 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 419 S C -0.437 174.193 174.600 0.051 0.000 1.155 419 S CA -0.848 57.459 58.200 0.179 0.000 0.827 419 S CB 1.763 65.066 63.200 0.171 0.000 1.130 419 S HN 0.664 nan 8.310 nan 0.000 0.467 420 N N 0.087 118.810 118.700 0.039 0.000 2.376 420 N HA 0.167 4.907 4.740 -0.000 0.000 0.249 420 N C 0.691 176.158 175.510 -0.071 0.000 1.140 420 N CA -0.240 52.803 53.050 -0.012 0.000 0.870 420 N CB 0.425 38.897 38.487 -0.026 0.000 1.124 420 N HN 0.762 nan 8.380 nan 0.000 0.505 421 E N -0.021 119.980 120.200 -0.332 0.000 2.051 421 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 421 E C -0.261 176.183 176.600 -0.260 0.000 0.991 421 E CA 0.453 56.418 56.400 -0.725 0.000 0.799 421 E CB -0.099 28.646 29.700 -1.592 0.000 0.748 421 E HN 0.478 nan 8.360 nan 0.000 0.449 422 Y N 1.536 121.738 120.300 -0.163 0.000 2.904 422 Y HA -0.196 4.354 4.550 -0.000 0.000 0.336 422 Y C 0.771 176.642 175.900 -0.048 0.000 1.263 422 Y CA 1.315 59.382 58.100 -0.055 0.000 1.547 422 Y CB 0.236 38.701 38.460 0.009 0.000 1.272 422 Y HN 0.132 nan 8.280 nan 0.000 0.596 423 K N 3.302 123.407 120.400 -0.491 0.000 3.104 423 K HA -0.254 4.066 4.320 -0.000 0.000 0.285 423 K C 0.781 177.319 176.600 -0.103 0.000 1.136 423 K CA 1.142 57.207 56.287 -0.370 0.000 0.842 423 K CB -1.497 30.758 32.500 -0.408 0.000 1.217 423 K HN 1.369 nan 8.250 nan 0.000 0.467 424 G N 0.010 108.765 108.800 -0.075 0.000 2.258 424 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.274 424 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.274 424 G C 0.007 174.915 174.900 0.012 0.000 1.021 424 G CA 0.746 45.849 45.100 0.005 0.000 0.798 424 G HN 0.342 nan 8.290 nan 0.000 0.507 425 M N 0.228 119.766 119.600 -0.102 0.000 2.080 425 M HA 0.294 4.774 4.480 -0.000 0.000 0.350 425 M C -0.973 175.091 176.300 -0.394 0.000 1.143 425 M CA -2.267 52.811 55.300 -0.369 0.000 1.064 425 M CB 1.652 34.117 32.600 -0.226 0.000 1.429 425 M HN -0.116 nan 8.290 nan 0.000 0.418 426 P HA -0.148 nan 4.420 nan 0.000 0.216 426 P C 1.342 178.488 177.300 -0.257 0.000 1.153 426 P CA 1.405 64.320 63.100 -0.308 0.000 0.858 426 P CB -0.000 31.499 31.700 -0.334 0.000 0.789 427 G N -0.710 107.861 108.800 -0.383 0.000 2.499 427 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.221 427 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.221 427 G C 0.902 175.813 174.900 0.019 0.000 1.109 427 G CA 0.782 45.798 45.100 -0.139 0.000 0.749 427 G HN 0.500 nan 8.290 nan 0.000 0.568 428 G N -0.928 107.835 108.800 -0.060 0.000 2.462 428 G HA2 0.606 4.566 3.960 -0.000 0.000 0.319 428 G HA3 0.606 4.566 3.960 -0.000 0.000 0.319 428 G C -0.649 174.153 174.900 -0.163 0.000 1.171 428 G CA -0.775 44.322 45.100 -0.006 0.000 0.920 428 G HN 0.119 nan 8.290 nan 0.000 0.499 429 R N 1.195 121.550 120.500 -0.242 0.000 2.514 429 R HA 0.361 4.701 4.340 -0.000 0.000 0.296 429 R C -0.968 175.310 176.300 -0.037 0.000 1.012 429 R CA -0.704 55.217 56.100 -0.300 0.000 0.897 429 R CB 1.947 31.788 30.300 -0.764 0.000 1.184 429 R HN 0.618 nan 8.270 nan 0.000 0.440 430 N N 1.385 120.100 118.700 0.026 0.000 2.966 430 N HA 0.496 5.236 4.740 -0.000 0.000 0.314 430 N C -1.162 174.293 175.510 -0.092 0.000 1.397 430 N CA -0.825 52.198 53.050 -0.046 0.000 0.776 430 N CB 1.953 40.330 38.487 -0.183 0.000 1.576 430 N HN 0.218 nan 8.380 nan 0.000 0.592 431 L N 0.772 121.762 121.223 -0.388 0.000 2.362 431 L HA 0.548 4.888 4.340 -0.000 0.000 0.275 431 L C -1.741 174.738 176.870 -0.651 0.000 0.998 431 L CA -0.368 54.258 54.840 -0.357 0.000 0.820 431 L CB 0.909 42.751 42.059 -0.361 0.000 1.270 431 L HN 0.426 nan 8.230 nan 0.000 0.415 432 Y N 2.849 122.771 120.300 -0.629 0.000 2.536 432 Y HA 0.645 5.195 4.550 -0.000 0.000 0.347 432 Y C -0.555 174.899 175.900 -0.744 0.000 1.000 432 Y CA -0.769 56.864 58.100 -0.779 0.000 1.051 432 Y CB 1.958 39.662 38.460 -1.260 0.000 1.259 432 Y HN 0.562 nan 8.280 nan 0.000 0.468 433 K N 1.858 121.994 120.400 -0.439 0.000 2.375 433 K HA 0.809 5.129 4.320 -0.000 0.000 0.249 433 K C -1.858 174.667 176.600 -0.124 0.000 0.942 433 K CA -0.816 55.175 56.287 -0.494 0.000 0.806 433 K CB 2.861 34.821 32.500 -0.901 0.000 1.227 433 K HN 0.709 nan 8.250 nan 0.000 0.430 434 I N 1.354 121.930 120.570 0.010 0.000 2.465 434 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 434 I C -0.696 175.505 176.117 0.140 0.000 1.014 434 I CA -0.633 60.757 61.300 0.150 0.000 1.093 434 I CB 2.056 40.184 38.000 0.214 0.000 1.267 434 I HN 0.728 nan 8.210 nan 0.000 0.431 435 Q N 5.747 125.620 119.800 0.121 0.000 2.325 435 Q HA 0.081 4.421 4.340 -0.000 0.000 0.256 435 Q C 0.689 176.662 176.000 -0.044 0.000 1.142 435 Q CA -0.366 55.392 55.803 -0.075 0.000 0.902 435 Q CB 0.891 29.606 28.738 -0.038 0.000 1.350 435 Q HN 0.719 nan 8.270 nan 0.000 0.449 436 L N 2.488 123.642 121.223 -0.116 0.000 2.197 436 L HA -0.250 4.090 4.340 -0.000 0.000 0.215 436 L C 2.014 178.804 176.870 -0.133 0.000 1.095 436 L CA 1.812 56.651 54.840 -0.002 0.000 0.764 436 L CB -0.718 41.302 42.059 -0.064 0.000 0.897 436 L HN 0.559 nan 8.230 nan 0.000 0.436 437 S N -2.106 113.473 115.700 -0.201 0.000 2.489 437 S HA 0.012 4.482 4.470 -0.000 0.000 0.228 437 S C 0.487 174.923 174.600 -0.273 0.000 0.995 437 S CA 0.379 58.445 58.200 -0.223 0.000 0.934 437 S CB 0.076 63.172 63.200 -0.173 0.000 0.771 437 S HN 0.449 nan 8.310 nan 0.000 0.522 438 D N -0.481 119.766 120.400 -0.254 0.000 2.452 438 D HA 0.228 4.868 4.640 -0.000 0.000 0.226 438 D C -0.539 175.723 176.300 -0.063 0.000 1.366 438 D CA -0.580 53.285 54.000 -0.225 0.000 0.986 438 D CB 0.153 40.886 40.800 -0.112 0.000 1.420 438 D HN -0.097 nan 8.370 nan 0.000 0.583 439 Y N 1.558 121.848 120.300 -0.017 0.000 2.716 439 Y HA 0.010 4.560 4.550 0.000 0.000 0.302 439 Y C 2.291 178.211 175.900 0.034 0.000 1.160 439 Y CA 0.628 58.734 58.100 0.010 0.000 1.362 439 Y CB -0.535 37.932 38.460 0.012 0.000 0.988 439 Y HN 0.355 nan 8.280 nan 0.000 0.546 440 T N -0.794 113.843 114.554 0.138 0.000 3.009 440 T HA 0.015 4.364 4.350 -0.000 0.000 0.258 440 T C 0.853 175.610 174.700 0.095 0.000 1.063 440 T CA 0.344 62.504 62.100 0.101 0.000 1.139 440 T CB 0.033 68.933 68.868 0.053 0.000 0.890 440 T HN 0.003 nan 8.240 nan 0.000 0.471 441 K N 3.065 123.515 120.400 0.083 0.000 2.219 441 K HA 0.365 4.685 4.320 -0.000 0.000 0.280 441 K C -1.055 175.611 176.600 0.109 0.000 1.104 441 K CA -0.028 56.306 56.287 0.078 0.000 0.925 441 K CB 0.954 33.486 32.500 0.053 0.000 1.261 441 K HN 0.107 nan 8.250 nan 0.000 0.445 442 V N 2.187 122.169 119.914 0.113 0.000 2.448 442 V HA 0.292 4.412 4.120 -0.000 0.000 0.295 442 V C 0.072 176.213 176.094 0.078 0.000 1.025 442 V CA -0.978 61.399 62.300 0.129 0.000 0.859 442 V CB 1.629 33.570 31.823 0.197 0.000 0.988 442 V HN 0.601 nan 8.190 nan 0.000 0.431 443 T N 1.856 116.413 114.554 0.006 0.000 2.794 443 T HA 0.344 4.694 4.350 -0.000 0.000 0.280 443 T C -0.081 174.500 174.700 -0.199 0.000 0.987 443 T CA -0.410 61.645 62.100 -0.076 0.000 0.993 443 T CB 1.378 70.176 68.868 -0.116 0.000 0.939 443 T HN 0.821 nan 8.240 nan 0.000 0.449 444 C N 3.931 123.058 119.300 -0.289 0.000 2.637 444 C HA 0.419 4.879 4.460 -0.000 0.000 0.418 444 C C 1.349 176.022 174.990 -0.528 0.000 1.319 444 C CA -0.424 58.174 59.018 -0.700 0.000 1.949 444 C CB -1.573 25.743 27.740 -0.707 0.000 2.639 444 C HN 1.000 nan 8.230 nan 0.000 0.594 445 L N 4.496 125.347 121.223 -0.619 0.000 2.817 445 L HA 0.179 4.519 4.340 -0.000 0.000 0.248 445 L C 1.874 178.459 176.870 -0.475 0.000 1.133 445 L CA 0.556 55.142 54.840 -0.422 0.000 0.935 445 L CB 0.021 41.874 42.059 -0.343 0.000 1.266 445 L HN 0.873 nan 8.230 nan 0.000 0.535 446 S N -3.106 112.185 115.700 -0.683 0.000 2.653 446 S HA -0.008 4.462 4.470 -0.000 0.000 0.259 446 S C 1.720 175.875 174.600 -0.742 0.000 1.076 446 S CA 0.066 57.721 58.200 -0.908 0.000 1.051 446 S CB -0.254 62.009 63.200 -1.562 0.000 0.994 446 S HN 0.268 nan 8.310 nan 0.000 0.552 447 C N 2.858 121.746 119.300 -0.687 0.000 2.367 447 C HA -0.026 4.434 4.460 -0.000 0.000 0.276 447 C C 2.127 176.838 174.990 -0.464 0.000 1.195 447 C CA 1.203 59.771 59.018 -0.751 0.000 1.756 447 C CB -0.928 26.241 27.740 -0.952 0.000 2.046 447 C HN 0.609 nan 8.230 nan 0.000 0.453 448 E N 0.363 120.371 120.200 -0.319 0.000 2.419 448 E HA 0.198 4.548 4.350 -0.000 0.000 0.190 448 E C 1.649 178.193 176.600 -0.093 0.000 1.040 448 E CA -0.041 56.267 56.400 -0.153 0.000 0.900 448 E CB -0.244 29.393 29.700 -0.105 0.000 1.054 448 E HN 0.663 nan 8.360 nan 0.000 0.462 449 L N 0.241 121.406 121.223 -0.097 0.000 2.095 449 L HA 0.026 4.366 4.340 -0.000 0.000 0.204 449 L C 1.115 177.997 176.870 0.022 0.000 1.080 449 L CA 0.909 55.733 54.840 -0.026 0.000 0.759 449 L CB 0.211 42.260 42.059 -0.017 0.000 0.914 449 L HN 0.073 nan 8.230 nan 0.000 0.439 450 N N -1.689 117.039 118.700 0.047 0.000 2.453 450 N HA 0.082 4.822 4.740 -0.000 0.000 0.267 450 N C -1.946 173.577 175.510 0.023 0.000 1.482 450 N CA -0.391 52.677 53.050 0.030 0.000 0.841 450 N CB 0.819 39.323 38.487 0.028 0.000 1.408 450 N HN -0.023 nan 8.380 nan 0.000 0.490 451 P HA -0.223 nan 4.420 nan 0.000 0.221 451 P C 0.953 178.280 177.300 0.046 0.000 1.153 451 P CA 1.560 64.690 63.100 0.050 0.000 0.858 451 P CB 0.377 32.118 31.700 0.069 0.000 0.783 452 E N -1.095 119.118 120.200 0.022 0.000 2.208 452 E HA -0.108 4.242 4.350 -0.000 0.000 0.193 452 E C 2.145 178.737 176.600 -0.013 0.000 0.988 452 E CA 0.700 57.107 56.400 0.011 0.000 0.828 452 E CB -0.374 29.327 29.700 0.001 0.000 0.763 452 E HN 0.397 nan 8.360 nan 0.000 0.478 453 R N -0.471 120.009 120.500 -0.033 0.000 2.225 453 R HA 0.135 4.475 4.340 -0.000 0.000 0.194 453 R C -0.110 176.128 176.300 -0.104 0.000 0.957 453 R CA 0.365 56.420 56.100 -0.074 0.000 1.042 453 R CB 0.579 30.826 30.300 -0.088 0.000 1.004 453 R HN -0.008 nan 8.270 nan 0.000 0.509 454 C N 1.339 120.582 119.300 -0.095 0.000 2.362 454 C HA 0.414 4.874 4.460 -0.000 0.000 0.309 454 C C 0.074 174.978 174.990 -0.144 0.000 1.110 454 C CA -0.618 58.267 59.018 -0.221 0.000 1.485 454 C CB 1.062 28.643 27.740 -0.266 0.000 1.949 454 C HN 0.505 nan 8.230 nan 0.000 0.419 455 Q N 0.416 120.150 119.800 -0.111 0.000 2.149 455 Q HA 0.246 4.586 4.340 -0.000 0.000 0.221 455 Q C -0.874 175.166 176.000 0.067 0.000 0.807 455 Q CA 0.176 56.001 55.803 0.037 0.000 1.000 455 Q CB 0.903 29.700 28.738 0.098 0.000 1.157 455 Q HN 0.806 nan 8.270 nan 0.000 0.487 456 Y N 0.258 120.409 120.300 -0.248 0.000 2.359 456 Y HA 0.318 4.868 4.550 -0.000 0.000 0.336 456 Y C -1.663 174.075 175.900 -0.270 0.000 1.098 456 Y CA -1.000 57.002 58.100 -0.163 0.000 1.272 456 Y CB 0.666 39.046 38.460 -0.133 0.000 1.112 456 Y HN -0.065 nan 8.280 nan 0.000 0.481 457 Y N 1.993 122.218 120.300 -0.124 0.000 2.528 457 Y HA 0.730 5.280 4.550 0.000 0.000 0.335 457 Y C 0.276 176.118 175.900 -0.095 0.000 1.093 457 Y CA -0.527 57.517 58.100 -0.094 0.000 1.134 457 Y CB 2.275 40.653 38.460 -0.137 0.000 1.253 457 Y HN 0.441 nan 8.280 nan 0.000 0.478 458 S N 0.526 116.310 115.700 0.141 0.000 2.565 458 S HA 0.793 5.263 4.470 -0.000 0.000 0.269 458 S C -2.078 172.586 174.600 0.106 0.000 1.153 458 S CA -0.688 57.575 58.200 0.105 0.000 0.835 458 S CB 1.547 64.817 63.200 0.118 0.000 1.122 458 S HN 0.827 nan 8.310 nan 0.000 0.462 459 V N 0.902 120.882 119.914 0.109 0.000 3.049 459 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 459 V C -1.114 175.066 176.094 0.144 0.000 1.148 459 V CA 0.097 62.439 62.300 0.070 0.000 0.990 459 V CB 2.134 33.921 31.823 -0.060 0.000 1.039 459 V HN 1.409 nan 8.190 nan 0.000 0.430 460 S N 5.033 120.822 115.700 0.148 0.000 2.605 460 S HA 0.745 5.215 4.470 -0.000 0.000 0.308 460 S C -1.301 173.479 174.600 0.299 0.000 1.113 460 S CA -0.377 58.008 58.200 0.309 0.000 1.049 460 S CB 0.793 64.218 63.200 0.374 0.000 1.001 460 S HN 0.549 nan 8.310 nan 0.000 0.480 461 F N 3.046 123.072 119.950 0.128 0.000 2.397 461 F HA 0.487 5.014 4.527 -0.000 0.000 0.331 461 F C 1.289 176.664 175.800 -0.709 0.000 1.090 461 F CA -0.362 57.539 58.000 -0.165 0.000 1.065 461 F CB 1.806 40.686 39.000 -0.199 0.000 1.184 461 F HN 0.705 nan 8.300 nan 0.000 0.499 462 S N 1.480 116.529 115.700 -1.085 0.000 2.596 462 S HA 0.145 4.615 4.470 -0.000 0.000 0.260 462 S C 1.199 175.547 174.600 -0.420 0.000 1.336 462 S CA -0.740 56.632 58.200 -1.381 0.000 0.993 462 S CB 0.928 63.332 63.200 -1.327 0.000 0.923 462 S HN 0.633 nan 8.310 nan 0.000 0.567 463 K N 0.747 121.025 120.400 -0.204 0.000 2.077 463 K HA -0.143 4.177 4.320 -0.000 0.000 0.213 463 K C 1.346 177.925 176.600 -0.035 0.000 1.051 463 K CA 2.037 58.300 56.287 -0.041 0.000 0.929 463 K CB -0.145 32.368 32.500 0.022 0.000 0.715 463 K HN 0.663 nan 8.250 nan 0.000 0.451 464 E N -1.652 118.518 120.200 -0.050 0.000 2.558 464 E HA 0.266 4.616 4.350 -0.000 0.000 0.205 464 E C -0.341 176.220 176.600 -0.066 0.000 1.006 464 E CA 0.446 56.826 56.400 -0.034 0.000 0.961 464 E CB 0.956 30.654 29.700 -0.004 0.000 1.044 464 E HN 0.277 nan 8.360 nan 0.000 0.465 465 A N 1.347 124.109 122.820 -0.097 0.000 2.996 465 A HA -0.281 4.039 4.320 -0.000 0.000 0.257 465 A C 1.372 178.914 177.584 -0.070 0.000 1.394 465 A CA 1.472 53.476 52.037 -0.056 0.000 0.820 465 A CB -2.189 16.697 19.000 -0.190 0.000 1.054 465 A HN 0.238 nan 8.150 nan 0.000 0.619 466 K N -1.469 118.812 120.400 -0.199 0.000 2.167 466 K HA 0.180 4.500 4.320 -0.000 0.000 0.203 466 K C 0.318 176.503 176.600 -0.691 0.000 1.052 466 K CA 1.652 57.668 56.287 -0.451 0.000 0.956 466 K CB -0.016 32.135 32.500 -0.583 0.000 0.735 466 K HN 0.731 nan 8.250 nan 0.000 0.451 467 Y N -1.315 118.929 120.300 -0.094 0.000 2.634 467 Y HA 0.366 4.916 4.550 -0.000 0.000 0.340 467 Y C -1.185 174.634 175.900 -0.134 0.000 1.058 467 Y CA -1.474 56.561 58.100 -0.108 0.000 1.081 467 Y CB 1.505 39.984 38.460 0.033 0.000 1.295 467 Y HN -0.054 nan 8.280 nan 0.000 0.487 468 Y N -1.182 119.120 120.300 0.003 0.000 2.358 468 Y HA 0.384 4.934 4.550 -0.000 0.000 0.324 468 Y C -0.982 174.913 175.900 -0.009 0.000 1.123 468 Y CA -1.452 56.467 58.100 -0.302 0.000 1.067 468 Y CB 1.040 38.749 38.460 -1.252 0.000 1.230 468 Y HN 0.629 nan 8.280 nan 0.000 0.429 469 Q N 4.484 124.439 119.800 0.259 0.000 2.297 469 Q HA 0.382 4.722 4.340 -0.000 0.000 0.267 469 Q C -1.312 174.760 176.000 0.120 0.000 1.006 469 Q CA -0.293 55.605 55.803 0.159 0.000 0.896 469 Q CB 0.795 29.599 28.738 0.111 0.000 1.186 469 Q HN 0.945 nan 8.270 nan 0.000 0.392 470 L N 4.797 126.077 121.223 0.096 0.000 2.334 470 L HA 0.453 4.793 4.340 -0.000 0.000 0.277 470 L C -0.009 176.923 176.870 0.103 0.000 1.075 470 L CA -0.499 54.393 54.840 0.085 0.000 0.804 470 L CB 1.003 43.087 42.059 0.042 0.000 1.174 470 L HN 0.596 nan 8.230 nan 0.000 0.438 471 R N 2.409 122.951 120.500 0.070 0.000 2.388 471 R HA 0.362 4.702 4.340 -0.000 0.000 0.314 471 R C -1.128 175.059 176.300 -0.188 0.000 0.959 471 R CA -0.559 55.460 56.100 -0.136 0.000 0.851 471 R CB 1.289 31.589 30.300 -0.001 0.000 1.168 471 R HN 0.569 nan 8.270 nan 0.000 0.472 472 C N 2.652 121.736 119.300 -0.359 0.000 2.405 472 C HA 0.499 4.959 4.460 -0.000 0.000 0.365 472 C C 1.273 176.045 174.990 -0.362 0.000 1.233 472 C CA -0.084 58.655 59.018 -0.464 0.000 2.230 472 C CB 0.620 27.980 27.740 -0.633 0.000 2.443 472 C HN 0.981 nan 8.230 nan 0.000 0.556 473 S N 2.763 118.332 115.700 -0.217 0.000 3.031 473 S HA 0.606 5.076 4.470 -0.000 0.000 0.253 473 S C 0.010 174.550 174.600 -0.101 0.000 0.996 473 S CA 0.177 58.296 58.200 -0.136 0.000 1.098 473 S CB -0.002 63.159 63.200 -0.065 0.000 1.042 473 S HN 1.891 nan 8.310 nan 0.000 0.593 474 G N 1.593 110.322 108.800 -0.118 0.000 2.325 474 G HA2 0.473 4.433 3.960 -0.000 0.000 0.297 474 G HA3 0.473 4.433 3.960 -0.000 0.000 0.297 474 G C -3.266 171.589 174.900 -0.075 0.000 1.448 474 G CA -0.773 44.290 45.100 -0.062 0.000 0.838 474 G HN -0.101 nan 8.290 nan 0.000 0.579 475 P HA 0.163 nan 4.420 nan 0.000 0.231 475 P C 1.433 178.718 177.300 -0.024 0.000 1.168 475 P CA 1.173 64.277 63.100 0.007 0.000 0.779 475 P CB 0.346 32.054 31.700 0.012 0.000 0.844 476 G N 0.143 108.869 108.800 -0.123 0.000 2.553 476 G HA2 0.304 4.264 3.960 -0.000 0.000 0.278 476 G HA3 0.304 4.264 3.960 -0.000 0.000 0.278 476 G C -0.353 174.283 174.900 -0.439 0.000 1.349 476 G CA -0.637 44.316 45.100 -0.245 0.000 1.037 476 G HN 0.009 nan 8.290 nan 0.000 0.508 477 L N 1.179 122.080 121.223 -0.537 0.000 2.455 477 L HA 0.137 4.477 4.340 -0.000 0.000 0.272 477 L C -1.848 174.842 176.870 -0.301 0.000 1.174 477 L CA -1.239 53.259 54.840 -0.570 0.000 0.869 477 L CB 0.445 42.256 42.059 -0.412 0.000 1.130 477 L HN 0.239 nan 8.230 nan 0.000 0.474 478 P HA -0.117 nan 4.420 nan 0.000 0.262 478 P C -0.728 176.445 177.300 -0.213 0.000 1.151 478 P CA 0.449 63.432 63.100 -0.195 0.000 0.757 478 P CB 0.306 31.974 31.700 -0.053 0.000 0.754 479 L N 5.978 126.994 121.223 -0.345 0.000 2.365 479 L HA 0.533 4.873 4.340 -0.000 0.000 0.273 479 L C -1.546 175.078 176.870 -0.410 0.000 1.000 479 L CA -0.774 53.916 54.840 -0.249 0.000 0.819 479 L CB 1.196 43.157 42.059 -0.163 0.000 1.284 479 L HN 0.234 nan 8.230 nan 0.000 0.418 480 Y N 2.425 122.682 120.300 -0.072 0.000 2.326 480 Y HA 0.671 5.221 4.550 -0.000 0.000 0.329 480 Y C 0.052 175.862 175.900 -0.149 0.000 0.973 480 Y CA -0.618 57.425 58.100 -0.095 0.000 1.162 480 Y CB 2.187 40.567 38.460 -0.134 0.000 1.147 480 Y HN 0.651 nan 8.280 nan 0.000 0.456 481 T N 1.032 115.624 114.554 0.064 0.000 2.893 481 T HA 0.658 5.008 4.350 -0.000 0.000 0.293 481 T C -1.401 173.365 174.700 0.110 0.000 1.027 481 T CA -0.833 61.294 62.100 0.044 0.000 0.988 481 T CB 1.809 70.762 68.868 0.142 0.000 1.043 481 T HN 0.398 nan 8.240 nan 0.000 0.461 482 L N 2.270 123.494 121.223 0.001 0.000 2.325 482 L HA 0.727 5.067 4.340 -0.000 0.000 0.279 482 L C -0.870 175.970 176.870 -0.050 0.000 1.054 482 L CA 0.036 54.896 54.840 0.034 0.000 0.804 482 L CB 0.844 42.885 42.059 -0.031 0.000 1.200 482 L HN 0.879 nan 8.230 nan 0.000 0.436 483 H N 0.364 119.253 119.070 -0.301 0.000 2.894 483 H HA 0.678 5.234 4.556 -0.000 0.000 0.368 483 H C -0.820 174.328 175.328 -0.300 0.000 1.181 483 H CA -0.662 55.096 56.048 -0.484 0.000 1.146 483 H CB 1.872 30.964 29.762 -1.117 0.000 1.839 483 H HN 0.521 nan 8.280 nan 0.000 0.557 484 S N -0.132 115.516 115.700 -0.087 0.000 2.498 484 S HA 0.274 4.744 4.470 -0.000 0.000 0.317 484 S C 0.472 175.048 174.600 -0.041 0.000 1.090 484 S CA -0.623 57.577 58.200 -0.002 0.000 1.089 484 S CB 1.582 64.818 63.200 0.061 0.000 0.997 484 S HN 0.538 nan 8.310 nan 0.000 0.470 485 S N 2.706 118.397 115.700 -0.015 0.000 2.374 485 S HA -0.139 4.331 4.470 -0.000 0.000 0.227 485 S C 1.910 176.566 174.600 0.093 0.000 1.037 485 S CA 1.394 59.705 58.200 0.185 0.000 1.024 485 S CB -0.544 62.730 63.200 0.124 0.000 0.861 485 S HN 0.685 nan 8.310 nan 0.000 0.456 486 V N 1.711 121.622 119.914 -0.004 0.000 2.250 486 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 486 V C 1.412 177.519 176.094 0.021 0.000 1.060 486 V CA 2.266 64.570 62.300 0.006 0.000 1.030 486 V CB -0.412 31.394 31.823 -0.029 0.000 0.643 486 V HN 0.531 nan 8.190 nan 0.000 0.445 487 N N -1.910 116.800 118.700 0.016 0.000 2.159 487 N HA 0.113 4.853 4.740 -0.000 0.000 0.217 487 N C -0.340 175.184 175.510 0.024 0.000 1.223 487 N CA 0.402 53.461 53.050 0.015 0.000 0.896 487 N CB 0.683 39.173 38.487 0.006 0.000 1.064 487 N HN 0.393 nan 8.380 nan 0.000 0.518 488 D N 0.383 120.820 120.400 0.061 0.000 2.945 488 D HA -0.185 4.455 4.640 -0.000 0.000 0.225 488 D C -0.341 175.998 176.300 0.067 0.000 1.158 488 D CA 0.928 54.998 54.000 0.116 0.000 0.805 488 D CB -0.768 40.089 40.800 0.094 0.000 1.098 488 D HN 0.341 nan 8.370 nan 0.000 0.426 489 K N 0.868 121.268 120.400 0.000 0.000 2.401 489 K HA 0.303 4.623 4.320 -0.000 0.000 0.278 489 K C 0.890 177.376 176.600 -0.190 0.000 1.018 489 K CA 0.289 56.538 56.287 -0.064 0.000 0.981 489 K CB 0.765 33.230 32.500 -0.057 0.000 0.933 489 K HN 0.149 nan 8.250 nan 0.000 0.477 490 G N 3.324 111.939 108.800 -0.307 0.000 2.390 490 G HA2 0.275 4.235 3.960 -0.000 0.000 0.270 490 G HA3 0.275 4.235 3.960 -0.000 0.000 0.270 490 G C 0.795 175.480 174.900 -0.359 0.000 1.211 490 G CA -0.458 44.256 45.100 -0.644 0.000 0.842 490 G HN 0.589 nan 8.290 nan 0.000 0.519 491 L N 1.500 122.516 121.223 -0.345 0.000 2.194 491 L HA 0.397 4.737 4.340 -0.000 0.000 0.197 491 L C 1.551 178.327 176.870 -0.156 0.000 1.106 491 L CA 0.542 55.268 54.840 -0.189 0.000 0.785 491 L CB -0.124 41.846 42.059 -0.148 0.000 0.960 491 L HN 0.678 nan 8.230 nan 0.000 0.465 492 R N -1.128 119.274 120.500 -0.163 0.000 2.739 492 R HA 0.545 4.885 4.340 -0.000 0.000 0.271 492 R C -1.535 174.678 176.300 -0.144 0.000 1.010 492 R CA -0.803 55.221 56.100 -0.126 0.000 0.897 492 R CB 1.705 31.952 30.300 -0.089 0.000 1.236 492 R HN -0.218 nan 8.270 nan 0.000 0.466 493 V N 2.812 122.652 119.914 -0.124 0.000 2.583 493 V HA 0.155 4.275 4.120 -0.000 0.000 0.287 493 V C 1.152 177.125 176.094 -0.202 0.000 1.051 493 V CA -0.251 61.972 62.300 -0.127 0.000 1.010 493 V CB 1.325 33.097 31.823 -0.086 0.000 0.988 493 V HN 0.678 nan 8.190 nan 0.000 0.478 494 L N 2.423 123.460 121.223 -0.311 0.000 2.357 494 L HA 0.358 4.698 4.340 -0.000 0.000 0.211 494 L C 0.485 177.000 176.870 -0.592 0.000 1.075 494 L CA 0.482 54.915 54.840 -0.678 0.000 0.830 494 L CB 0.367 41.681 42.059 -1.242 0.000 0.996 494 L HN 0.668 nan 8.230 nan 0.000 0.467 495 E N -0.178 119.869 120.200 -0.255 0.000 2.397 495 E HA 0.110 4.460 4.350 -0.000 0.000 0.293 495 E C -1.281 175.360 176.600 0.068 0.000 0.930 495 E CA -0.310 56.067 56.400 -0.039 0.000 0.793 495 E CB 1.133 30.857 29.700 0.039 0.000 1.259 495 E HN 0.132 nan 8.360 nan 0.000 0.406 496 D N 2.693 123.114 120.400 0.034 0.000 2.469 496 D HA 0.144 4.784 4.640 -0.000 0.000 0.213 496 D C -0.406 175.900 176.300 0.009 0.000 1.135 496 D CA -0.229 53.778 54.000 0.012 0.000 0.834 496 D CB -0.002 40.785 40.800 -0.021 0.000 1.009 496 D HN 0.441 nan 8.370 nan 0.000 0.507 497 N N 0.652 119.377 118.700 0.043 0.000 2.738 497 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 497 N C 0.589 176.102 175.510 0.004 0.000 1.047 497 N CA 0.894 53.965 53.050 0.034 0.000 0.707 497 N CB -1.452 37.045 38.487 0.017 0.000 0.937 497 N HN 0.411 nan 8.380 nan 0.000 0.545 498 S N -1.050 114.657 115.700 0.011 0.000 2.414 498 S HA 0.083 4.553 4.470 -0.000 0.000 0.227 498 S C 2.100 176.710 174.600 0.017 0.000 1.022 498 S CA 0.598 58.799 58.200 0.002 0.000 0.958 498 S CB 0.043 63.245 63.200 0.002 0.000 0.797 498 S HN 0.559 nan 8.310 nan 0.000 0.493 499 A N 1.993 124.834 122.820 0.036 0.000 1.902 499 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 499 A C 2.159 179.781 177.584 0.064 0.000 1.181 499 A CA 1.456 53.524 52.037 0.052 0.000 0.623 499 A CB -0.777 18.261 19.000 0.064 0.000 0.818 499 A HN 0.441 nan 8.150 nan 0.000 0.443 500 L N -0.171 121.091 121.223 0.066 0.000 2.141 500 L HA -0.084 4.256 4.340 -0.000 0.000 0.209 500 L C 1.739 178.623 176.870 0.023 0.000 1.094 500 L CA 2.364 57.251 54.840 0.078 0.000 0.763 500 L CB -0.551 41.562 42.059 0.089 0.000 0.908 500 L HN 0.385 nan 8.230 nan 0.000 0.437 501 D N -0.642 119.753 120.400 -0.008 0.000 2.123 501 D HA -0.185 4.455 4.640 -0.000 0.000 0.200 501 D C 2.135 178.421 176.300 -0.023 0.000 0.976 501 D CA 0.857 54.832 54.000 -0.042 0.000 0.831 501 D CB 0.244 41.010 40.800 -0.056 0.000 0.974 501 D HN 0.112 nan 8.370 nan 0.000 0.469 502 K N -0.159 120.242 120.400 0.001 0.000 2.001 502 K HA -0.085 4.235 4.320 -0.000 0.000 0.214 502 K C 2.285 178.894 176.600 0.015 0.000 1.050 502 K CA 1.258 57.551 56.287 0.011 0.000 0.934 502 K CB -0.321 32.194 32.500 0.026 0.000 0.718 502 K HN 0.138 nan 8.250 nan 0.000 0.443 503 M N -0.042 119.581 119.600 0.037 0.000 2.089 503 M HA -0.250 4.230 4.480 -0.000 0.000 0.257 503 M C 2.086 178.359 176.300 -0.045 0.000 1.071 503 M CA 1.696 57.027 55.300 0.052 0.000 1.096 503 M CB -0.428 32.259 32.600 0.145 0.000 1.330 503 M HN 0.161 nan 8.290 nan 0.000 0.403 504 L N -0.565 120.603 121.223 -0.092 0.000 2.191 504 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 504 L C 2.407 179.228 176.870 -0.082 0.000 1.103 504 L CA 1.122 55.872 54.840 -0.150 0.000 0.769 504 L CB -0.483 41.505 42.059 -0.118 0.000 0.908 504 L HN 0.380 nan 8.230 nan 0.000 0.438 505 Q N -0.223 119.550 119.800 -0.044 0.000 2.181 505 Q HA -0.202 4.138 4.340 -0.000 0.000 0.205 505 Q C 1.636 177.634 176.000 -0.003 0.000 0.980 505 Q CA 1.276 57.066 55.803 -0.021 0.000 0.862 505 Q CB -0.029 28.703 28.738 -0.010 0.000 0.905 505 Q HN 0.428 nan 8.270 nan 0.000 0.429 506 N N -0.602 118.100 118.700 0.002 0.000 2.609 506 N HA -0.030 4.710 4.740 -0.000 0.000 0.190 506 N C -0.788 174.741 175.510 0.032 0.000 1.157 506 N CA 0.400 53.467 53.050 0.028 0.000 0.918 506 N CB 0.446 38.964 38.487 0.051 0.000 0.978 506 N HN -0.033 nan 8.380 nan 0.000 0.448 507 V N 0.749 120.663 119.914 0.001 0.000 2.656 507 V HA 0.205 4.325 4.120 -0.000 0.000 0.307 507 V C 0.265 176.372 176.094 0.021 0.000 1.051 507 V CA -0.862 61.448 62.300 0.017 0.000 0.893 507 V CB 2.323 34.121 31.823 -0.041 0.000 0.999 507 V HN -0.027 nan 8.190 nan 0.000 0.426 508 Q N 3.837 123.670 119.800 0.056 0.000 3.151 508 Q HA 0.182 4.522 4.340 -0.000 0.000 0.277 508 Q C -0.223 175.780 176.000 0.004 0.000 1.343 508 Q CA -0.225 55.598 55.803 0.035 0.000 0.925 508 Q CB -0.007 28.784 28.738 0.089 0.000 1.771 508 Q HN 0.537 nan 8.270 nan 0.000 0.514 509 M N 2.532 122.116 119.600 -0.027 0.000 2.249 509 M HA 0.133 4.613 4.480 -0.000 0.000 0.340 509 M C -1.872 174.380 176.300 -0.080 0.000 1.166 509 M CA -1.996 53.272 55.300 -0.053 0.000 1.115 509 M CB -0.685 31.886 32.600 -0.049 0.000 1.606 509 M HN 0.181 nan 8.290 nan 0.000 0.448 510 P HA 0.361 nan 4.420 nan 0.000 0.278 510 P C -0.936 176.298 177.300 -0.111 0.000 1.266 510 P CA -0.476 62.555 63.100 -0.115 0.000 0.807 510 P CB 0.721 32.343 31.700 -0.131 0.000 1.094 511 S N -0.636 114.984 115.700 -0.133 0.000 2.704 511 S HA 0.668 5.138 4.470 -0.000 0.000 0.305 511 S C -0.478 174.038 174.600 -0.138 0.000 1.107 511 S CA -0.822 57.308 58.200 -0.116 0.000 0.993 511 S CB 1.563 64.689 63.200 -0.122 0.000 1.110 511 S HN 0.535 nan 8.310 nan 0.000 0.534 512 K N 0.473 120.812 120.400 -0.102 0.000 2.376 512 K HA 0.442 4.761 4.320 -0.000 0.000 0.257 512 K C -1.247 175.298 176.600 -0.091 0.000 0.939 512 K CA -0.524 55.705 56.287 -0.097 0.000 0.809 512 K CB 1.327 33.790 32.500 -0.062 0.000 1.121 512 K HN 0.620 nan 8.250 nan 0.000 0.425 513 K N 4.665 124.999 120.400 -0.111 0.000 2.240 513 K HA 0.296 4.616 4.320 -0.000 0.000 0.271 513 K C -1.362 175.188 176.600 -0.084 0.000 1.018 513 K CA -0.881 55.347 56.287 -0.100 0.000 0.874 513 K CB 0.851 33.274 32.500 -0.128 0.000 1.098 513 K HN 0.517 nan 8.250 nan 0.000 0.458 514 L N 4.074 125.269 121.223 -0.047 0.000 2.296 514 L HA 0.502 4.842 4.340 -0.000 0.000 0.286 514 L C -0.998 175.864 176.870 -0.012 0.000 1.023 514 L CA 0.238 55.074 54.840 -0.005 0.000 0.812 514 L CB 1.308 43.427 42.059 0.100 0.000 1.223 514 L HN 0.757 nan 8.230 nan 0.000 0.421 515 D N 2.787 123.066 120.400 -0.202 0.000 2.692 515 D HA 0.492 5.132 4.640 -0.000 0.000 0.303 515 D C -1.589 174.450 176.300 -0.434 0.000 1.278 515 D CA -0.184 53.608 54.000 -0.347 0.000 0.852 515 D CB 1.322 41.849 40.800 -0.455 0.000 1.375 515 D HN 0.234 nan 8.370 nan 0.000 0.453 516 F N -0.306 119.382 119.950 -0.435 0.000 2.603 516 F HA 0.804 5.331 4.527 -0.000 0.000 0.317 516 F C -0.827 175.027 175.800 0.091 0.000 1.066 516 F CA -1.203 56.576 58.000 -0.368 0.000 0.941 516 F CB 1.034 39.315 39.000 -1.199 0.000 1.291 516 F HN 0.272 nan 8.300 nan 0.000 0.472 517 I N 0.173 121.039 120.570 0.492 0.000 2.608 517 I HA 0.626 4.796 4.170 -0.000 0.000 0.295 517 I C -1.396 174.953 176.117 0.387 0.000 1.049 517 I CA -1.104 60.417 61.300 0.368 0.000 1.063 517 I CB 2.213 40.352 38.000 0.233 0.000 1.248 517 I HN 0.656 nan 8.210 nan 0.000 0.424 518 I N 6.097 126.838 120.570 0.286 0.000 2.304 518 I HA 0.401 4.571 4.170 -0.000 0.000 0.291 518 I C -0.662 175.576 176.117 0.203 0.000 1.018 518 I CA -0.307 61.128 61.300 0.225 0.000 1.260 518 I CB 0.856 38.953 38.000 0.161 0.000 1.390 518 I HN 0.437 nan 8.210 nan 0.000 0.475 519 L N 6.104 127.502 121.223 0.292 0.000 2.342 519 L HA 0.488 4.828 4.340 -0.000 0.000 0.271 519 L C 0.596 177.594 176.870 0.214 0.000 1.008 519 L CA -0.988 53.993 54.840 0.235 0.000 0.818 519 L CB 1.039 43.248 42.059 0.250 0.000 1.296 519 L HN 0.482 nan 8.230 nan 0.000 0.427 520 N N 1.930 120.702 118.700 0.120 0.000 2.701 520 N HA -0.261 4.479 4.740 -0.000 0.000 0.252 520 N C 0.562 176.107 175.510 0.059 0.000 1.002 520 N CA 1.465 54.562 53.050 0.078 0.000 0.758 520 N CB -0.703 37.828 38.487 0.074 0.000 0.937 520 N HN 0.857 nan 8.380 nan 0.000 0.538 521 E N -3.510 116.719 120.200 0.049 0.000 3.799 521 E HA -0.243 4.107 4.350 -0.000 0.000 0.320 521 E C -0.735 175.852 176.600 -0.022 0.000 0.760 521 E CA 1.769 58.179 56.400 0.015 0.000 1.153 521 E CB -0.859 28.843 29.700 0.003 0.000 1.589 521 E HN 0.610 nan 8.360 nan 0.000 0.448 522 T N -0.210 114.325 114.554 -0.032 0.000 2.925 522 T HA 0.451 4.801 4.350 -0.000 0.000 0.285 522 T C -0.092 174.453 174.700 -0.258 0.000 1.021 522 T CA -0.856 61.127 62.100 -0.195 0.000 1.042 522 T CB 1.915 70.577 68.868 -0.343 0.000 1.037 522 T HN -0.023 nan 8.240 nan 0.000 0.481 523 K N 1.617 121.795 120.400 -0.369 0.000 2.262 523 K HA 0.429 4.749 4.320 -0.000 0.000 0.282 523 K C -1.284 175.072 176.600 -0.407 0.000 1.066 523 K CA -0.286 55.796 56.287 -0.341 0.000 0.901 523 K CB 0.385 32.613 32.500 -0.452 0.000 1.089 523 K HN 0.468 nan 8.250 nan 0.000 0.476 524 F N 2.305 122.303 119.950 0.079 0.000 2.495 524 F HA 0.364 4.891 4.527 0.000 0.000 0.327 524 F C -0.256 175.662 175.800 0.198 0.000 1.103 524 F CA -0.872 57.218 58.000 0.150 0.000 0.949 524 F CB 1.000 40.096 39.000 0.160 0.000 1.142 524 F HN 0.408 nan 8.300 nan 0.000 0.457 525 W N 3.143 124.633 121.300 0.317 0.000 2.449 525 W HA 0.546 5.206 4.660 -0.000 0.000 0.331 525 W C -0.694 176.068 176.519 0.405 0.000 1.119 525 W CA -0.737 56.812 57.345 0.340 0.000 1.240 525 W CB 0.816 30.398 29.460 0.204 0.000 1.251 525 W HN 0.450 nan 8.180 nan 0.000 0.576 526 Y N -0.284 120.373 120.300 0.595 0.000 2.638 526 Y HA 0.726 5.276 4.550 -0.000 0.000 0.339 526 Y C -1.048 175.094 175.900 0.402 0.000 1.084 526 Y CA -1.858 56.580 58.100 0.563 0.000 1.068 526 Y CB 1.235 40.165 38.460 0.783 0.000 1.294 526 Y HN 0.559 nan 8.280 nan 0.000 0.480 527 Q N 1.812 121.861 119.800 0.414 0.000 2.397 527 Q HA 0.707 5.047 4.340 -0.000 0.000 0.275 527 Q C -1.741 174.396 176.000 0.227 0.000 1.090 527 Q CA -1.116 54.800 55.803 0.189 0.000 0.809 527 Q CB 3.244 32.060 28.738 0.130 0.000 1.362 527 Q HN 0.848 nan 8.270 nan 0.000 0.431 528 M N 2.710 122.367 119.600 0.096 0.000 2.253 528 M HA 0.433 4.913 4.480 -0.000 0.000 0.314 528 M C -1.242 175.006 176.300 -0.087 0.000 1.019 528 M CA -0.940 54.359 55.300 -0.003 0.000 0.932 528 M CB 1.888 34.466 32.600 -0.036 0.000 1.606 528 M HN 0.629 nan 8.290 nan 0.000 0.430 529 I N 5.572 126.087 120.570 -0.092 0.000 2.308 529 I HA 0.277 4.447 4.170 -0.000 0.000 0.293 529 I C -0.405 175.593 176.117 -0.199 0.000 1.078 529 I CA -0.169 61.049 61.300 -0.138 0.000 1.292 529 I CB -0.405 37.525 38.000 -0.117 0.000 1.423 529 I HN 0.629 nan 8.210 nan 0.000 0.493 530 L N 8.446 129.498 121.223 -0.286 0.000 2.325 530 L HA 0.466 4.806 4.340 -0.000 0.000 0.279 530 L C -2.145 174.569 176.870 -0.261 0.000 1.054 530 L CA -1.706 52.882 54.840 -0.420 0.000 0.804 530 L CB 0.979 42.559 42.059 -0.798 0.000 1.200 530 L HN 0.300 nan 8.230 nan 0.000 0.436 531 P HA 0.126 nan 4.420 nan 0.000 0.272 531 P C -2.526 174.766 177.300 -0.014 0.000 1.230 531 P CA -1.086 61.983 63.100 -0.052 0.000 0.788 531 P CB -0.181 31.543 31.700 0.040 0.000 0.949 532 P HA -0.004 nan 4.420 nan 0.000 0.272 532 P C -0.248 177.042 177.300 -0.018 0.000 1.223 532 P CA 0.420 63.454 63.100 -0.111 0.000 0.784 532 P CB 0.115 31.723 31.700 -0.154 0.000 0.923 533 H N -1.540 117.577 119.070 0.078 0.000 2.770 533 H HA -0.190 4.366 4.556 -0.000 0.000 0.309 533 H C -0.110 175.289 175.328 0.118 0.000 1.206 533 H CA 0.113 56.209 56.048 0.081 0.000 1.147 533 H CB -2.397 27.400 29.762 0.059 0.000 1.422 533 H HN 0.404 nan 8.280 nan 0.000 0.420 534 F N 2.333 122.285 119.950 0.004 0.000 2.590 534 F HA 0.067 4.594 4.527 -0.000 0.000 0.389 534 F C 0.783 176.603 175.800 0.033 0.000 1.049 534 F CA 0.091 58.061 58.000 -0.049 0.000 1.199 534 F CB 0.404 39.273 39.000 -0.218 0.000 1.058 534 F HN 0.166 nan 8.300 nan 0.000 0.556 535 D N 7.157 127.325 120.400 -0.387 0.000 2.427 535 D HA 0.039 4.679 4.640 -0.000 0.000 0.226 535 D C 0.691 176.640 176.300 -0.584 0.000 1.076 535 D CA -0.325 53.479 54.000 -0.326 0.000 0.849 535 D CB 1.011 41.735 40.800 -0.127 0.000 1.052 535 D HN 0.668 nan 8.370 nan 0.000 0.515 536 K N 1.880 121.972 120.400 -0.512 0.000 2.589 536 K HA -0.040 4.280 4.320 -0.000 0.000 0.192 536 K C 0.583 177.150 176.600 -0.056 0.000 1.029 536 K CA 0.374 56.431 56.287 -0.383 0.000 1.031 536 K CB 0.030 32.464 32.500 -0.110 0.000 0.821 536 K HN 0.204 nan 8.250 nan 0.000 0.502 537 S N -0.741 114.912 115.700 -0.079 0.000 2.603 537 S HA 0.239 4.709 4.470 -0.000 0.000 0.232 537 S C 0.037 174.608 174.600 -0.048 0.000 1.016 537 S CA -0.636 57.553 58.200 -0.019 0.000 0.976 537 S CB 0.319 63.504 63.200 -0.026 0.000 0.921 537 S HN 0.148 nan 8.310 nan 0.000 0.516 538 K N 1.664 122.003 120.400 -0.101 0.000 2.118 538 K HA 0.412 4.732 4.320 -0.000 0.000 0.267 538 K C -0.724 175.786 176.600 -0.150 0.000 0.991 538 K CA -0.417 55.746 56.287 -0.207 0.000 0.916 538 K CB 1.029 33.281 32.500 -0.413 0.000 1.041 538 K HN 0.120 nan 8.250 nan 0.000 0.455 539 K N 2.772 123.067 120.400 -0.176 0.000 2.253 539 K HA 0.209 4.529 4.320 -0.000 0.000 0.277 539 K C -1.085 175.430 176.600 -0.141 0.000 1.053 539 K CA -0.387 55.868 56.287 -0.053 0.000 0.892 539 K CB 0.612 33.079 32.500 -0.056 0.000 1.102 539 K HN 0.354 nan 8.250 nan 0.000 0.469 540 Y N 3.317 123.638 120.300 0.035 0.000 2.387 540 Y HA 0.262 4.812 4.550 -0.000 0.000 0.330 540 Y C -1.918 173.938 175.900 -0.073 0.000 1.133 540 Y CA -2.718 55.389 58.100 0.012 0.000 1.152 540 Y CB 0.749 39.288 38.460 0.131 0.000 1.215 540 Y HN 0.497 nan 8.280 nan 0.000 0.466 541 P HA 0.166 nan 4.420 nan 0.000 0.271 541 P C -1.137 176.097 177.300 -0.109 0.000 1.218 541 P CA -0.174 62.734 63.100 -0.319 0.000 0.780 541 P CB 1.500 32.726 31.700 -0.789 0.000 0.901 542 L N 3.534 124.719 121.223 -0.064 0.000 2.385 542 L HA 0.547 4.887 4.340 -0.000 0.000 0.273 542 L C -1.420 175.613 176.870 0.271 0.000 0.990 542 L CA -1.035 53.867 54.840 0.103 0.000 0.821 542 L CB 1.820 43.915 42.059 0.060 0.000 1.279 542 L HN 0.122 nan 8.230 nan 0.000 0.412 543 L N 5.471 126.859 121.223 0.276 0.000 2.280 543 L HA 0.520 4.860 4.340 -0.000 0.000 0.287 543 L C -1.141 175.934 176.870 0.341 0.000 1.023 543 L CA -0.317 54.732 54.840 0.348 0.000 0.819 543 L CB 1.437 43.654 42.059 0.263 0.000 1.212 543 L HN 0.729 nan 8.230 nan 0.000 0.420 544 L N 5.360 126.836 121.223 0.422 0.000 2.282 544 L HA 0.382 4.722 4.340 -0.000 0.000 0.287 544 L C -0.326 176.785 176.870 0.401 0.000 1.075 544 L CA 0.129 55.214 54.840 0.408 0.000 0.839 544 L CB 0.255 42.601 42.059 0.478 0.000 1.219 544 L HN 0.620 nan 8.230 nan 0.000 0.434 545 D N 3.575 124.196 120.400 0.369 0.000 2.350 545 D HA 0.327 4.967 4.640 -0.000 0.000 0.249 545 D C -0.981 175.423 176.300 0.172 0.000 1.119 545 D CA 0.196 54.352 54.000 0.260 0.000 0.886 545 D CB 1.581 42.579 40.800 0.329 0.000 1.195 545 D HN 0.352 nan 8.370 nan 0.000 0.437 546 V N 4.881 124.811 119.914 0.027 0.000 2.971 546 V HA 0.410 4.530 4.120 -0.000 0.000 0.309 546 V C -1.294 174.906 176.094 0.177 0.000 1.130 546 V CA -0.476 61.906 62.300 0.136 0.000 0.964 546 V CB 1.821 33.730 31.823 0.142 0.000 1.029 546 V HN 0.705 nan 8.190 nan 0.000 0.427 547 Y N 4.689 125.065 120.300 0.127 0.000 3.208 547 Y HA 0.590 5.140 4.550 -0.000 0.000 0.205 547 Y C 1.507 177.545 175.900 0.229 0.000 0.923 547 Y CA 1.444 59.648 58.100 0.173 0.000 1.596 547 Y CB 0.322 38.863 38.460 0.136 0.000 1.478 547 Y HN 1.316 nan 8.280 nan 0.000 0.409 548 A N 0.993 124.011 122.820 0.330 0.000 2.847 548 A HA -0.167 4.153 4.320 -0.000 0.000 0.263 548 A C 0.945 178.422 177.584 -0.177 0.000 1.391 548 A CA 0.939 53.076 52.037 0.167 0.000 0.866 548 A CB -2.478 16.654 19.000 0.220 0.000 1.057 548 A HN 0.997 nan 8.150 nan 0.000 0.673 549 G N -0.269 108.201 108.800 -0.548 0.000 2.594 549 G HA2 0.448 4.408 3.960 -0.000 0.000 0.243 549 G HA3 0.448 4.408 3.960 -0.000 0.000 0.243 549 G C -1.741 172.911 174.900 -0.413 0.000 1.229 549 G CA -0.415 43.969 45.100 -1.193 0.000 0.843 549 G HN 0.426 nan 8.290 nan 0.000 0.578 550 P HA 0.010 nan 4.420 nan 0.000 0.261 550 P C 0.637 177.847 177.300 -0.151 0.000 1.183 550 P CA 0.294 63.186 63.100 -0.346 0.000 0.761 550 P CB 0.624 31.799 31.700 -0.875 0.000 0.785 551 C N 2.626 121.895 119.300 -0.052 0.000 4.549 551 C HA -0.127 4.332 4.460 -0.000 0.000 0.290 551 C C 0.812 175.832 174.990 0.050 0.000 1.328 551 C CA 0.969 59.919 59.018 -0.112 0.000 2.002 551 C CB -2.624 24.917 27.740 -0.331 0.000 1.238 551 C HN 0.791 nan 8.230 nan 0.000 0.780 552 S N -0.186 115.609 115.700 0.158 0.000 2.745 552 S HA 0.718 5.188 4.470 -0.000 0.000 0.292 552 S C -0.688 174.061 174.600 0.247 0.000 1.133 552 S CA -0.070 58.283 58.200 0.254 0.000 0.998 552 S CB 1.754 65.147 63.200 0.322 0.000 1.087 552 S HN 0.866 nan 8.310 nan 0.000 0.551 553 Q N -0.278 119.671 119.800 0.250 0.000 2.374 553 Q HA 0.369 4.709 4.340 -0.000 0.000 0.250 553 Q C -0.630 175.472 176.000 0.170 0.000 0.918 553 Q CA -0.529 55.419 55.803 0.241 0.000 0.778 553 Q CB 1.005 29.933 28.738 0.318 0.000 1.328 553 Q HN 0.627 nan 8.270 nan 0.000 0.445 554 K N 1.106 121.612 120.400 0.176 0.000 2.354 554 K HA 0.305 4.625 4.320 -0.000 0.000 0.194 554 K C -0.246 176.452 176.600 0.163 0.000 1.038 554 K CA 0.369 56.752 56.287 0.160 0.000 1.052 554 K CB 1.277 33.897 32.500 0.199 0.000 0.861 554 K HN 0.492 nan 8.250 nan 0.000 0.535 555 A N 2.889 125.818 122.820 0.183 0.000 2.540 555 A HA 0.336 4.656 4.320 -0.000 0.000 0.340 555 A C -0.808 176.851 177.584 0.125 0.000 1.424 555 A CA -0.601 51.551 52.037 0.191 0.000 0.940 555 A CB -0.129 19.048 19.000 0.295 0.000 1.149 555 A HN 0.227 nan 8.150 nan 0.000 0.505 556 D N -0.379 120.064 120.400 0.071 0.000 2.636 556 D HA 0.459 5.099 4.640 -0.000 0.000 0.275 556 D C 0.625 176.922 176.300 -0.005 0.000 1.130 556 D CA 0.189 54.213 54.000 0.039 0.000 1.031 556 D CB 0.572 41.382 40.800 0.015 0.000 1.451 556 D HN 0.103 nan 8.370 nan 0.000 0.505 557 T N -2.320 112.239 114.554 0.008 0.000 3.144 557 T HA 0.248 4.598 4.350 -0.000 0.000 0.249 557 T C 0.476 175.108 174.700 -0.115 0.000 1.089 557 T CA -0.366 61.734 62.100 -0.001 0.000 0.989 557 T CB -0.701 68.225 68.868 0.097 0.000 0.992 557 T HN 0.254 nan 8.240 nan 0.000 0.540 558 V N 2.297 122.022 119.914 -0.315 0.000 2.715 558 V HA 0.335 4.455 4.120 -0.000 0.000 0.299 558 V C 0.025 176.044 176.094 -0.125 0.000 1.054 558 V CA -0.939 61.148 62.300 -0.354 0.000 1.077 558 V CB 0.235 31.740 31.823 -0.531 0.000 0.972 558 V HN 0.550 nan 8.190 nan 0.000 0.484 559 F N 5.788 125.624 119.950 -0.191 0.000 2.391 559 F HA 0.585 5.112 4.527 -0.000 0.000 0.359 559 F C 0.387 176.116 175.800 -0.118 0.000 1.122 559 F CA -0.322 57.596 58.000 -0.138 0.000 1.120 559 F CB 0.319 39.247 39.000 -0.120 0.000 1.142 559 F HN 0.411 nan 8.300 nan 0.000 0.483 560 R N 5.992 126.066 120.500 -0.709 0.000 2.711 560 R HA 0.617 4.957 4.340 -0.000 0.000 0.284 560 R C -1.446 174.387 176.300 -0.779 0.000 0.968 560 R CA -1.058 54.718 56.100 -0.539 0.000 0.924 560 R CB 2.066 32.190 30.300 -0.294 0.000 1.162 560 R HN 0.683 nan 8.270 nan 0.000 0.465 561 L N 4.123 125.065 121.223 -0.468 0.000 2.353 561 L HA 0.405 4.745 4.340 -0.000 0.000 0.270 561 L C -0.940 175.774 176.870 -0.260 0.000 1.003 561 L CA -0.639 53.964 54.840 -0.395 0.000 0.862 561 L CB 0.742 42.718 42.059 -0.137 0.000 1.221 561 L HN 0.802 nan 8.230 nan 0.000 0.430 562 N N 0.233 118.678 118.700 -0.425 0.000 3.344 562 N HA 0.144 4.884 4.740 -0.000 0.000 0.296 562 N C 0.204 175.261 175.510 -0.754 0.000 1.571 562 N CA -0.883 51.699 53.050 -0.780 0.000 0.844 562 N CB 0.210 38.482 38.487 -0.358 0.000 1.718 562 N HN 0.246 nan 8.380 nan 0.000 0.589 563 W N 0.710 121.385 121.300 -1.042 0.000 2.292 563 W HA -0.083 4.577 4.660 -0.000 0.000 0.304 563 W C 2.066 178.605 176.519 0.032 0.000 1.228 563 W CA 3.238 60.445 57.345 -0.230 0.000 1.241 563 W CB -1.062 28.478 29.460 0.132 0.000 1.142 563 W HN 0.739 nan 8.180 nan 0.000 0.520 564 A N -0.606 122.216 122.820 0.003 0.000 1.877 564 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 564 A C 1.986 179.474 177.584 -0.159 0.000 1.186 564 A CA 2.900 54.873 52.037 -0.107 0.000 0.620 564 A CB -1.397 17.600 19.000 -0.005 0.000 0.822 564 A HN 0.324 nan 8.150 nan 0.000 0.443 565 T N -0.833 113.623 114.554 -0.164 0.000 2.624 565 T HA -0.304 4.046 4.350 -0.000 0.000 0.268 565 T C 1.822 176.524 174.700 0.004 0.000 1.041 565 T CA 1.918 63.903 62.100 -0.191 0.000 1.159 565 T CB -0.703 67.882 68.868 -0.473 0.000 0.863 565 T HN 0.659 nan 8.240 nan 0.000 0.434 566 Y N 2.374 122.734 120.300 0.099 0.000 2.128 566 Y HA -0.063 4.487 4.550 -0.000 0.000 0.284 566 Y C 1.944 177.850 175.900 0.011 0.000 1.154 566 Y CA 0.970 59.187 58.100 0.195 0.000 1.149 566 Y CB -0.815 37.791 38.460 0.243 0.000 0.976 566 Y HN 0.155 nan 8.280 nan 0.000 0.505 567 L N 0.002 120.820 121.223 -0.676 0.000 2.362 567 L HA -0.101 4.239 4.340 -0.000 0.000 0.219 567 L C 2.556 179.225 176.870 -0.335 0.000 1.134 567 L CA 0.852 55.276 54.840 -0.694 0.000 0.807 567 L CB -0.694 40.978 42.059 -0.645 0.000 0.927 567 L HN 0.432 nan 8.230 nan 0.000 0.447 568 A N -1.197 121.490 122.820 -0.222 0.000 1.881 568 A HA -0.085 4.235 4.320 -0.000 0.000 0.210 568 A C 2.413 179.957 177.584 -0.066 0.000 1.239 568 A CA 1.046 53.007 52.037 -0.126 0.000 0.629 568 A CB -0.552 18.372 19.000 -0.128 0.000 0.906 568 A HN 0.226 nan 8.150 nan 0.000 0.460 569 S N -0.381 115.304 115.700 -0.025 0.000 2.365 569 S HA -0.175 4.295 4.470 -0.000 0.000 0.221 569 S C 2.045 176.684 174.600 0.066 0.000 1.037 569 S CA 2.698 60.934 58.200 0.059 0.000 1.060 569 S CB -0.649 62.658 63.200 0.177 0.000 0.974 569 S HN 0.581 nan 8.310 nan 0.000 0.427 570 T N 1.628 116.211 114.554 0.048 0.000 2.852 570 T HA 0.115 4.465 4.350 -0.000 0.000 0.256 570 T C 1.571 176.259 174.700 -0.020 0.000 1.038 570 T CA 0.937 63.074 62.100 0.061 0.000 1.141 570 T CB -0.243 68.751 68.868 0.211 0.000 0.869 570 T HN 0.413 nan 8.240 nan 0.000 0.439 571 E N 1.235 121.333 120.200 -0.169 0.000 2.474 571 E HA 0.116 4.465 4.350 -0.000 0.000 0.194 571 E C -0.222 176.379 176.600 0.001 0.000 1.041 571 E CA -0.057 56.286 56.400 -0.094 0.000 0.874 571 E CB -0.367 29.229 29.700 -0.174 0.000 0.914 571 E HN 0.570 nan 8.360 nan 0.000 0.498 572 N N 0.907 119.619 118.700 0.020 0.000 2.671 572 N HA -0.188 4.552 4.740 -0.000 0.000 0.261 572 N C -1.011 174.597 175.510 0.162 0.000 1.053 572 N CA 0.369 53.496 53.050 0.129 0.000 0.732 572 N CB -1.369 37.252 38.487 0.223 0.000 0.887 572 N HN 0.218 nan 8.380 nan 0.000 0.546 573 I N 0.682 121.290 120.570 0.064 0.000 2.433 573 I HA 0.379 4.549 4.170 -0.000 0.000 0.292 573 I C 0.469 176.600 176.117 0.023 0.000 1.001 573 I CA -1.007 60.342 61.300 0.082 0.000 1.119 573 I CB 1.526 39.581 38.000 0.093 0.000 1.289 573 I HN 0.089 nan 8.210 nan 0.000 0.438 574 I N 6.434 127.029 120.570 0.042 0.000 2.436 574 I HA 0.078 4.248 4.170 -0.000 0.000 0.289 574 I C -0.276 175.847 176.117 0.009 0.000 1.083 574 I CA -0.169 61.118 61.300 -0.021 0.000 1.372 574 I CB 0.621 38.619 38.000 -0.003 0.000 1.408 574 I HN 0.214 nan 8.210 nan 0.000 0.516 575 V N 7.136 127.041 119.914 -0.014 0.000 2.311 575 V HA 0.565 4.685 4.120 -0.000 0.000 0.275 575 V C 0.430 176.555 176.094 0.052 0.000 1.022 575 V CA -0.471 61.860 62.300 0.051 0.000 0.830 575 V CB 0.894 32.743 31.823 0.045 0.000 1.012 575 V HN 0.809 nan 8.190 nan 0.000 0.452 576 A N 3.878 126.742 122.820 0.073 0.000 2.337 576 A HA 0.869 5.189 4.320 -0.000 0.000 0.329 576 A C -0.034 177.695 177.584 0.243 0.000 1.146 576 A CA -0.405 51.677 52.037 0.075 0.000 0.800 576 A CB 1.590 20.458 19.000 -0.221 0.000 1.220 576 A HN 0.626 nan 8.150 nan 0.000 0.472 577 S N 0.090 115.977 115.700 0.313 0.000 2.607 577 S HA 0.830 5.300 4.470 -0.000 0.000 0.303 577 S C -1.351 173.593 174.600 0.573 0.000 1.086 577 S CA -0.265 58.169 58.200 0.390 0.000 0.995 577 S CB 1.129 64.504 63.200 0.291 0.000 1.084 577 S HN 0.784 nan 8.310 nan 0.000 0.507 578 F N 1.680 121.851 119.950 0.369 0.000 2.588 578 F HA 0.397 4.924 4.527 -0.000 0.000 0.318 578 F C -1.738 174.259 175.800 0.329 0.000 1.155 578 F CA -0.729 57.514 58.000 0.405 0.000 0.967 578 F CB 1.388 40.619 39.000 0.384 0.000 1.236 578 F HN 0.361 nan 8.300 nan 0.000 0.455 579 D N 4.802 125.017 120.400 -0.308 0.000 2.428 579 D HA 0.407 5.047 4.640 -0.000 0.000 0.221 579 D C 0.378 176.375 176.300 -0.505 0.000 1.123 579 D CA 0.181 54.056 54.000 -0.208 0.000 0.869 579 D CB 1.551 42.390 40.800 0.065 0.000 1.032 579 D HN 0.774 nan 8.370 nan 0.000 0.506 580 G N 1.563 110.149 108.800 -0.357 0.000 2.782 580 G HA2 0.314 4.274 3.960 -0.000 0.000 0.201 580 G HA3 0.314 4.274 3.960 -0.000 0.000 0.201 580 G C 0.252 175.190 174.900 0.063 0.000 1.374 580 G CA -0.677 44.256 45.100 -0.279 0.000 1.039 580 G HN 0.291 nan 8.290 nan 0.000 0.576 581 R N -1.005 119.527 120.500 0.054 0.000 2.784 581 R HA 0.354 4.694 4.340 -0.000 0.000 0.266 581 R C 1.424 177.836 176.300 0.186 0.000 1.044 581 R CA 1.069 57.295 56.100 0.211 0.000 1.151 581 R CB 0.090 30.496 30.300 0.175 0.000 1.037 581 R HN 1.062 nan 8.270 nan 0.000 0.478 582 G N 0.223 109.134 108.800 0.185 0.000 2.257 582 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 582 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 582 G C 0.227 175.186 174.900 0.098 0.000 0.984 582 G CA 0.654 45.846 45.100 0.153 0.000 0.626 582 G HN 0.759 nan 8.290 nan 0.000 0.540 583 S N 0.067 115.831 115.700 0.105 0.000 2.632 583 S HA 0.686 5.156 4.470 -0.000 0.000 0.267 583 S C 0.779 175.391 174.600 0.019 0.000 1.276 583 S CA 0.370 58.620 58.200 0.083 0.000 0.998 583 S CB 1.789 65.058 63.200 0.116 0.000 0.953 583 S HN 1.633 nan 8.310 nan 0.000 0.547 584 G N -0.673 108.116 108.800 -0.018 0.000 2.477 584 G HA2 0.494 4.454 3.960 -0.000 0.000 0.304 584 G HA3 0.494 4.454 3.960 -0.000 0.000 0.304 584 G C -0.912 173.907 174.900 -0.135 0.000 1.175 584 G CA -0.841 44.089 45.100 -0.284 0.000 0.907 584 G HN 1.012 nan 8.290 nan 0.000 0.509 585 Y N -2.159 118.155 120.300 0.024 0.000 4.879 585 Y HA -0.206 4.344 4.550 -0.000 0.000 0.247 585 Y C 1.291 177.216 175.900 0.042 0.000 0.985 585 Y CA 0.944 59.061 58.100 0.028 0.000 2.000 585 Y CB -2.113 36.371 38.460 0.040 0.000 1.519 585 Y HN 0.584 nan 8.280 nan 0.000 0.613 586 Q N 0.332 120.184 119.800 0.087 0.000 2.158 586 Q HA 0.541 4.881 4.340 -0.000 0.000 0.306 586 Q C 0.858 176.841 176.000 -0.028 0.000 0.878 586 Q CA 0.221 56.097 55.803 0.121 0.000 1.136 586 Q CB 1.427 30.227 28.738 0.104 0.000 1.253 586 Q HN 0.573 nan 8.270 nan 0.000 0.441 587 G N 0.635 109.320 108.800 -0.192 0.000 2.746 587 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.685 587 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.685 587 G C -0.432 174.144 174.900 -0.542 0.000 1.350 587 G CA -0.511 44.184 45.100 -0.676 0.000 0.837 587 G HN 0.208 nan 8.290 nan 0.000 0.564 588 D N -0.098 119.926 120.400 -0.626 0.000 2.269 588 D HA -0.014 4.626 4.640 -0.000 0.000 0.208 588 D C 2.224 178.246 176.300 -0.463 0.000 0.963 588 D CA 1.300 54.894 54.000 -0.678 0.000 0.864 588 D CB 0.038 40.357 40.800 -0.801 0.000 0.936 588 D HN 0.627 nan 8.370 nan 0.000 0.505 589 K N 0.453 120.629 120.400 -0.374 0.000 2.147 589 K HA -0.098 4.222 4.320 -0.000 0.000 0.205 589 K C 1.659 178.183 176.600 -0.126 0.000 1.049 589 K CA 0.991 57.148 56.287 -0.217 0.000 0.936 589 K CB -0.078 32.296 32.500 -0.211 0.000 0.722 589 K HN 0.045 nan 8.250 nan 0.000 0.446 590 I N 0.129 120.615 120.570 -0.141 0.000 2.385 590 I HA -0.053 4.117 4.170 -0.000 0.000 0.244 590 I C 2.482 178.609 176.117 0.016 0.000 1.089 590 I CA 0.763 62.052 61.300 -0.018 0.000 1.410 590 I CB -0.171 37.824 38.000 -0.009 0.000 1.117 590 I HN 0.205 nan 8.210 nan 0.000 0.429 591 M N -0.099 119.453 119.600 -0.080 0.000 2.108 591 M HA -0.268 4.212 4.480 -0.000 0.000 0.261 591 M C 1.879 178.245 176.300 0.110 0.000 1.066 591 M CA 2.031 57.314 55.300 -0.028 0.000 1.107 591 M CB -0.334 32.152 32.600 -0.191 0.000 1.356 591 M HN 0.317 nan 8.290 nan 0.000 0.406 592 H N -0.903 118.061 119.070 -0.176 0.000 2.547 592 H HA 0.159 4.715 4.556 -0.000 0.000 0.266 592 H C 1.826 177.176 175.328 0.037 0.000 0.988 592 H CA 0.124 56.071 56.048 -0.168 0.000 1.147 592 H CB 0.221 29.797 29.762 -0.311 0.000 1.365 592 H HN 0.527 nan 8.280 nan 0.000 0.589 593 A N 1.457 124.394 122.820 0.195 0.000 2.019 593 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 593 A C 2.163 179.961 177.584 0.358 0.000 1.164 593 A CA 1.069 53.246 52.037 0.234 0.000 0.644 593 A CB -0.662 18.447 19.000 0.182 0.000 0.805 593 A HN 0.567 nan 8.150 nan 0.000 0.449 594 I N -3.078 117.680 120.570 0.312 0.000 3.684 594 I HA 0.093 4.263 4.170 -0.000 0.000 0.304 594 I C 0.565 176.792 176.117 0.182 0.000 1.278 594 I CA -0.293 61.153 61.300 0.244 0.000 1.272 594 I CB -0.727 37.386 38.000 0.187 0.000 1.029 594 I HN 0.214 nan 8.210 nan 0.000 0.458 595 N N 3.085 121.931 118.700 0.244 0.000 2.217 595 N HA -0.136 4.604 4.740 -0.000 0.000 0.268 595 N C 0.283 175.846 175.510 0.088 0.000 1.290 595 N CA 0.389 53.568 53.050 0.215 0.000 0.831 595 N CB 0.310 38.881 38.487 0.139 0.000 1.057 595 N HN 0.396 nan 8.380 nan 0.000 0.481 596 R N 0.873 121.410 120.500 0.062 0.000 3.973 596 R HA -0.213 4.127 4.340 -0.000 0.000 0.322 596 R C -0.133 176.163 176.300 -0.007 0.000 1.238 596 R CA 0.992 57.100 56.100 0.014 0.000 0.937 596 R CB -1.055 29.261 30.300 0.027 0.000 1.340 596 R HN 0.628 nan 8.270 nan 0.000 0.552 597 R N 0.722 121.193 120.500 -0.048 0.000 2.700 597 R HA 0.274 4.614 4.340 -0.000 0.000 0.399 597 R C 0.094 176.414 176.300 0.032 0.000 1.115 597 R CA -0.339 55.642 56.100 -0.197 0.000 1.058 597 R CB 0.408 30.489 30.300 -0.365 0.000 1.389 597 R HN 0.173 nan 8.270 nan 0.000 0.582 598 L N 0.356 121.634 121.223 0.092 0.000 2.529 598 L HA -0.027 4.313 4.340 -0.000 0.000 0.287 598 L C 1.241 178.319 176.870 0.347 0.000 1.241 598 L CA 1.166 56.071 54.840 0.107 0.000 0.857 598 L CB 0.215 42.131 42.059 -0.239 0.000 1.113 598 L HN 0.612 nan 8.230 nan 0.000 0.504 599 G N 1.396 110.461 108.800 0.442 0.000 2.246 599 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.273 599 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.273 599 G C 0.488 175.504 174.900 0.193 0.000 1.055 599 G CA 0.632 45.969 45.100 0.396 0.000 0.851 599 G HN 0.914 nan 8.290 nan 0.000 0.500 600 T N -4.475 110.134 114.554 0.091 0.000 3.431 600 T HA 0.399 4.749 4.350 -0.000 0.000 0.207 600 T C 1.664 176.352 174.700 -0.021 0.000 0.979 600 T CA 0.953 63.001 62.100 -0.087 0.000 1.141 600 T CB 0.068 68.692 68.868 -0.408 0.000 1.278 600 T HN 0.128 nan 8.240 nan 0.000 0.334 601 F N 3.440 123.437 119.950 0.078 0.000 2.146 601 F HA 0.151 4.678 4.527 -0.000 0.000 0.298 601 F C 2.832 178.676 175.800 0.074 0.000 1.096 601 F CA 1.112 59.148 58.000 0.061 0.000 1.275 601 F CB -0.651 38.384 39.000 0.057 0.000 1.008 601 F HN 0.483 nan 8.300 nan 0.000 0.480 602 E N 0.882 121.250 120.200 0.280 0.000 2.160 602 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 602 E C 2.082 178.801 176.600 0.199 0.000 0.991 602 E CA 1.647 58.185 56.400 0.230 0.000 0.810 602 E CB -1.019 28.820 29.700 0.231 0.000 0.742 602 E HN 0.285 nan 8.360 nan 0.000 0.466 603 V N 1.700 121.708 119.914 0.158 0.000 2.239 603 V HA -0.215 3.904 4.120 -0.000 0.000 0.242 603 V C 2.512 178.658 176.094 0.086 0.000 1.038 603 V CA 2.026 64.375 62.300 0.082 0.000 1.002 603 V CB -0.769 31.062 31.823 0.012 0.000 0.641 603 V HN 0.218 nan 8.190 nan 0.000 0.449 604 E N -0.064 120.199 120.200 0.104 0.000 2.164 604 E HA -0.330 4.020 4.350 -0.000 0.000 0.206 604 E C 1.897 178.542 176.600 0.075 0.000 1.032 604 E CA 1.990 58.451 56.400 0.103 0.000 0.832 604 E CB -0.155 29.651 29.700 0.176 0.000 0.742 604 E HN 0.593 nan 8.360 nan 0.000 0.460 605 D N -0.352 120.109 120.400 0.103 0.000 2.103 605 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 605 D C 2.027 178.346 176.300 0.032 0.000 0.978 605 D CA 0.714 54.755 54.000 0.068 0.000 0.829 605 D CB -0.165 40.718 40.800 0.139 0.000 0.981 605 D HN 0.101 nan 8.370 nan 0.000 0.464 606 Q N 0.174 120.051 119.800 0.129 0.000 2.152 606 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 606 Q C 2.503 178.543 176.000 0.066 0.000 0.985 606 Q CA 0.706 56.577 55.803 0.114 0.000 0.863 606 Q CB -0.197 28.636 28.738 0.160 0.000 0.904 606 Q HN 0.453 nan 8.270 nan 0.000 0.422 607 I N 0.462 121.083 120.570 0.085 0.000 2.142 607 I HA -0.269 3.901 4.170 -0.000 0.000 0.240 607 I C 2.413 178.499 176.117 -0.053 0.000 1.078 607 I CA 1.386 62.764 61.300 0.129 0.000 1.343 607 I CB -0.277 37.791 38.000 0.113 0.000 1.046 607 I HN 0.181 nan 8.210 nan 0.000 0.405 608 E N 1.455 121.575 120.200 -0.134 0.000 2.150 608 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 608 E C 2.050 178.376 176.600 -0.457 0.000 0.985 608 E CA 1.397 57.657 56.400 -0.235 0.000 0.814 608 E CB -0.073 29.515 29.700 -0.186 0.000 0.752 608 E HN 0.416 nan 8.360 nan 0.000 0.466 609 A N 0.923 123.344 122.820 -0.664 0.000 1.877 609 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 609 A C 2.478 179.412 177.584 -1.083 0.000 1.186 609 A CA 2.088 53.415 52.037 -1.185 0.000 0.620 609 A CB -1.135 16.958 19.000 -1.512 0.000 0.822 609 A HN 0.412 nan 8.150 nan 0.000 0.443 610 A N -0.420 122.139 122.820 -0.435 0.000 1.933 610 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 610 A C 2.257 179.667 177.584 -0.290 0.000 1.175 610 A CA 1.457 53.378 52.037 -0.194 0.000 0.628 610 A CB -0.490 18.441 19.000 -0.115 0.000 0.814 610 A HN 0.527 nan 8.150 nan 0.000 0.444 611 R N -0.462 119.849 120.500 -0.315 0.000 2.080 611 R HA -0.150 4.190 4.340 -0.000 0.000 0.236 611 R C 2.249 178.378 176.300 -0.285 0.000 1.137 611 R CA 1.631 57.575 56.100 -0.260 0.000 0.943 611 R CB -0.503 29.671 30.300 -0.211 0.000 0.846 611 R HN 0.645 nan 8.270 nan 0.000 0.431 612 Q N -0.318 119.231 119.800 -0.418 0.000 2.364 612 Q HA -0.113 4.227 4.340 -0.000 0.000 0.209 612 Q C 1.886 177.708 176.000 -0.296 0.000 0.977 612 Q CA 0.997 56.574 55.803 -0.377 0.000 0.885 612 Q CB -0.072 28.387 28.738 -0.464 0.000 0.941 612 Q HN 0.291 nan 8.270 nan 0.000 0.464 613 F N 1.081 120.858 119.950 -0.287 0.000 2.206 613 F HA -0.083 4.444 4.527 -0.000 0.000 0.298 613 F C 2.580 178.182 175.800 -0.330 0.000 1.090 613 F CA 1.031 58.840 58.000 -0.317 0.000 1.323 613 F CB -0.816 38.028 39.000 -0.260 0.000 1.028 613 F HN 0.019 nan 8.300 nan 0.000 0.492 614 S N -0.621 115.024 115.700 -0.092 0.000 2.428 614 S HA -0.130 4.340 4.470 -0.000 0.000 0.230 614 S C 1.870 176.380 174.600 -0.150 0.000 1.014 614 S CA 0.638 58.755 58.200 -0.139 0.000 0.957 614 S CB -0.338 62.787 63.200 -0.126 0.000 0.784 614 S HN 0.185 nan 8.310 nan 0.000 0.499 615 K N 1.275 121.590 120.400 -0.143 0.000 2.209 615 K HA 0.184 4.504 4.320 -0.000 0.000 0.204 615 K C 1.943 178.470 176.600 -0.121 0.000 1.048 615 K CA 0.976 57.192 56.287 -0.118 0.000 0.940 615 K CB -0.371 32.062 32.500 -0.110 0.000 0.729 615 K HN 0.337 nan 8.250 nan 0.000 0.451 616 M N -1.494 117.994 119.600 -0.188 0.000 2.460 616 M HA -0.030 4.450 4.480 -0.000 0.000 0.263 616 M C 1.218 177.380 176.300 -0.230 0.000 1.071 616 M CA 1.324 56.488 55.300 -0.226 0.000 1.096 616 M CB 0.288 32.654 32.600 -0.390 0.000 1.408 616 M HN 0.474 nan 8.290 nan 0.000 0.463 617 G N 0.153 108.810 108.800 -0.238 0.000 2.234 617 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.235 617 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.235 617 G C 0.487 175.399 174.900 0.020 0.000 0.997 617 G CA 0.311 45.368 45.100 -0.072 0.000 0.623 617 G HN 0.606 nan 8.290 nan 0.000 0.514 618 F N 0.529 120.542 119.950 0.106 0.000 2.639 618 F HA 0.772 5.299 4.527 -0.000 0.000 0.300 618 F C 0.175 176.088 175.800 0.189 0.000 1.109 618 F CA -1.090 57.008 58.000 0.162 0.000 1.335 618 F CB 0.249 39.407 39.000 0.263 0.000 1.014 618 F HN 0.065 nan 8.300 nan 0.000 0.537 619 V N 1.363 121.238 119.914 -0.065 0.000 2.448 619 V HA 0.182 4.302 4.120 -0.000 0.000 0.295 619 V C -0.627 175.443 176.094 -0.040 0.000 1.025 619 V CA -0.818 61.464 62.300 -0.029 0.000 0.859 619 V CB 1.560 33.304 31.823 -0.132 0.000 0.988 619 V HN 0.082 nan 8.190 nan 0.000 0.431 620 D N 4.364 124.743 120.400 -0.035 0.000 2.348 620 D HA 0.014 4.654 4.640 -0.000 0.000 0.259 620 D C 1.162 177.401 176.300 -0.102 0.000 1.296 620 D CA -0.113 53.837 54.000 -0.084 0.000 0.931 620 D CB 0.497 41.222 40.800 -0.125 0.000 1.067 620 D HN 0.672 nan 8.370 nan 0.000 0.503 621 N N 3.148 121.792 118.700 -0.093 0.000 2.485 621 N HA -0.078 4.662 4.740 -0.000 0.000 0.199 621 N C 0.450 175.907 175.510 -0.089 0.000 1.236 621 N CA -0.082 52.907 53.050 -0.101 0.000 0.852 621 N CB 0.380 38.807 38.487 -0.100 0.000 1.018 621 N HN 0.242 nan 8.380 nan 0.000 0.457 622 K N 0.490 120.840 120.400 -0.084 0.000 2.360 622 K HA 0.187 4.507 4.320 -0.000 0.000 0.196 622 K C 0.399 176.969 176.600 -0.050 0.000 1.049 622 K CA 0.066 56.318 56.287 -0.058 0.000 1.049 622 K CB 0.876 33.345 32.500 -0.051 0.000 0.881 622 K HN 0.205 nan 8.250 nan 0.000 0.542 623 R N 0.948 121.380 120.500 -0.114 0.000 2.881 623 R HA 0.375 4.715 4.340 -0.000 0.000 0.331 623 R C -0.663 175.549 176.300 -0.147 0.000 1.207 623 R CA -0.156 55.828 56.100 -0.194 0.000 1.265 623 R CB 0.352 30.325 30.300 -0.546 0.000 1.351 623 R HN -0.055 nan 8.270 nan 0.000 0.613 624 I N 1.109 121.691 120.570 0.020 0.000 2.315 624 I HA 0.391 4.561 4.170 -0.000 0.000 0.291 624 I C 0.508 176.848 176.117 0.372 0.000 1.006 624 I CA -0.374 60.992 61.300 0.110 0.000 1.265 624 I CB 1.553 39.481 38.000 -0.121 0.000 1.387 624 I HN 0.180 nan 8.210 nan 0.000 0.475 625 A N 7.328 130.484 122.820 0.560 0.000 2.352 625 A HA 0.930 5.250 4.320 -0.000 0.000 0.299 625 A C -0.679 177.275 177.584 0.617 0.000 1.160 625 A CA -0.688 51.703 52.037 0.590 0.000 0.933 625 A CB 1.658 20.929 19.000 0.453 0.000 1.387 625 A HN 0.720 nan 8.150 nan 0.000 0.487 626 I N -0.236 120.617 120.570 0.472 0.000 2.743 626 I HA 0.552 4.722 4.170 -0.000 0.000 0.292 626 I C -2.230 174.153 176.117 0.443 0.000 1.343 626 I CA -0.512 61.004 61.300 0.360 0.000 1.038 626 I CB 1.665 39.625 38.000 -0.066 0.000 1.311 626 I HN 0.964 nan 8.210 nan 0.000 0.426 627 W N 7.206 128.636 121.300 0.216 0.000 3.213 627 W HA 0.838 5.498 4.660 -0.000 0.000 0.318 627 W C -1.445 175.228 176.519 0.256 0.000 1.248 627 W CA -0.979 56.504 57.345 0.230 0.000 1.187 627 W CB 1.050 30.694 29.460 0.306 0.000 1.403 627 W HN 0.800 nan 8.180 nan 0.000 0.556 628 G N 0.936 109.632 108.800 -0.173 0.000 2.660 628 G HA2 0.482 4.442 3.960 -0.000 0.000 0.290 628 G HA3 0.482 4.442 3.960 -0.000 0.000 0.290 628 G C -2.484 172.324 174.900 -0.154 0.000 1.432 628 G CA -0.797 44.033 45.100 -0.450 0.000 0.807 628 G HN 0.611 nan 8.290 nan 0.000 0.485 629 W N 0.638 121.780 121.300 -0.264 0.000 2.516 629 W HA 0.555 5.215 4.660 -0.000 0.000 0.343 629 W C 1.002 177.531 176.519 0.016 0.000 1.094 629 W CA 0.729 58.030 57.345 -0.073 0.000 1.250 629 W CB 1.840 31.279 29.460 -0.034 0.000 1.308 629 W HN 1.131 nan 8.180 nan 0.000 0.588 630 S N 1.931 117.816 115.700 0.308 0.000 3.949 630 S HA -0.435 4.035 4.470 -0.000 0.000 0.626 630 S C 1.178 175.850 174.600 0.119 0.000 2.168 630 S CA 1.658 60.081 58.200 0.373 0.000 4.124 630 S CB -1.824 61.787 63.200 0.684 0.000 0.220 630 S HN 0.700 nan 8.310 nan 0.000 0.750 631 Y N 2.136 122.372 120.300 -0.107 0.000 2.132 631 Y HA -0.130 4.420 4.550 -0.000 0.000 0.280 631 Y C 2.492 178.296 175.900 -0.159 0.000 1.193 631 Y CA 3.041 60.994 58.100 -0.244 0.000 1.157 631 Y CB -1.166 36.936 38.460 -0.596 0.000 0.966 631 Y HN 0.619 nan 8.280 nan 0.000 0.511 632 G N -1.219 107.582 108.800 0.003 0.000 2.450 632 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 632 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 632 G C 1.887 176.812 174.900 0.043 0.000 1.130 632 G CA 0.778 45.923 45.100 0.076 0.000 0.760 632 G HN 0.606 nan 8.290 nan 0.000 0.557 633 G N -0.541 108.278 108.800 0.032 0.000 2.484 633 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 633 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 633 G C 1.525 176.430 174.900 0.007 0.000 1.130 633 G CA 0.994 46.100 45.100 0.011 0.000 0.784 633 G HN 0.492 nan 8.290 nan 0.000 0.543 634 Y N 0.681 120.868 120.300 -0.189 0.000 2.269 634 Y HA 0.096 4.646 4.550 -0.000 0.000 0.294 634 Y C 2.555 178.347 175.900 -0.179 0.000 1.120 634 Y CA 0.981 58.914 58.100 -0.278 0.000 1.159 634 Y CB -0.147 37.974 38.460 -0.565 0.000 1.024 634 Y HN 0.001 nan 8.280 nan 0.000 0.532 635 V N 0.042 119.841 119.914 -0.192 0.000 2.358 635 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 635 V C 2.276 178.262 176.094 -0.179 0.000 1.047 635 V CA 2.426 64.614 62.300 -0.187 0.000 1.035 635 V CB -0.998 30.878 31.823 0.089 0.000 0.658 635 V HN 0.511 nan 8.190 nan 0.000 0.452 636 T N 0.284 114.786 114.554 -0.086 0.000 2.597 636 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 636 T C 2.076 176.724 174.700 -0.086 0.000 1.053 636 T CA 2.263 64.329 62.100 -0.056 0.000 1.165 636 T CB -0.372 68.534 68.868 0.063 0.000 0.863 636 T HN 0.574 nan 8.240 nan 0.000 0.427 637 S N 1.233 116.908 115.700 -0.042 0.000 2.368 637 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 637 S C 2.147 176.630 174.600 -0.196 0.000 1.030 637 S CA 1.015 59.201 58.200 -0.023 0.000 0.999 637 S CB -0.353 62.892 63.200 0.075 0.000 0.844 637 S HN 0.295 nan 8.310 nan 0.000 0.459 638 M N 1.100 120.504 119.600 -0.326 0.000 2.149 638 M HA -0.042 4.438 4.480 -0.000 0.000 0.261 638 M C 2.197 178.323 176.300 -0.289 0.000 1.064 638 M CA 1.060 56.156 55.300 -0.340 0.000 1.102 638 M CB -1.486 30.833 32.600 -0.468 0.000 1.369 638 M HN 0.189 nan 8.290 nan 0.000 0.408 639 V N 0.444 120.182 119.914 -0.293 0.000 2.323 639 V HA -0.218 3.901 4.120 -0.000 0.000 0.244 639 V C 2.503 178.387 176.094 -0.351 0.000 1.041 639 V CA 1.255 63.378 62.300 -0.294 0.000 1.025 639 V CB -0.583 31.012 31.823 -0.380 0.000 0.656 639 V HN 0.383 nan 8.190 nan 0.000 0.451 640 L N 0.623 121.578 121.223 -0.447 0.000 2.083 640 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 640 L C 2.363 178.704 176.870 -0.882 0.000 1.083 640 L CA 1.667 56.162 54.840 -0.576 0.000 0.752 640 L CB -0.966 40.737 42.059 -0.593 0.000 0.899 640 L HN 0.473 nan 8.230 nan 0.000 0.433 641 G N -1.006 107.204 108.800 -0.983 0.000 2.956 641 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.207 641 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.207 641 G C 1.562 176.268 174.900 -0.322 0.000 1.162 641 G CA 0.685 45.326 45.100 -0.764 0.000 0.796 641 G HN 0.470 nan 8.290 nan 0.000 0.527 642 S N -0.563 114.981 115.700 -0.260 0.000 2.528 642 S HA 0.315 4.785 4.470 -0.000 0.000 0.219 642 S C 1.772 176.320 174.600 -0.086 0.000 0.985 642 S CA 0.879 59.001 58.200 -0.131 0.000 0.914 642 S CB -0.133 63.012 63.200 -0.091 0.000 0.776 642 S HN 1.334 nan 8.310 nan 0.000 0.526 643 G N 1.794 110.531 108.800 -0.105 0.000 2.323 643 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.292 643 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.292 643 G C 0.544 175.432 174.900 -0.020 0.000 1.040 643 G CA 0.605 45.672 45.100 -0.055 0.000 0.942 643 G HN 1.364 nan 8.290 nan 0.000 0.506 644 S N -0.936 114.765 115.700 0.002 0.000 2.577 644 S HA 0.413 4.883 4.470 -0.000 0.000 0.219 644 S C 2.204 176.815 174.600 0.019 0.000 0.962 644 S CA 1.001 59.215 58.200 0.023 0.000 0.921 644 S CB 0.312 63.549 63.200 0.062 0.000 0.789 644 S HN 2.236 nan 8.310 nan 0.000 0.497 645 G N 0.884 109.696 108.800 0.020 0.000 2.243 645 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.276 645 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.276 645 G C 0.762 175.652 174.900 -0.016 0.000 0.997 645 G CA 0.749 45.854 45.100 0.009 0.000 0.693 645 G HN 0.679 nan 8.290 nan 0.000 0.529 646 V N -1.222 118.678 119.914 -0.025 0.000 2.725 646 V HA 0.317 4.437 4.120 -0.000 0.000 0.247 646 V C 0.961 176.825 176.094 -0.382 0.000 1.058 646 V CA 1.104 63.270 62.300 -0.224 0.000 1.080 646 V CB -0.184 31.447 31.823 -0.320 0.000 0.713 646 V HN 0.280 nan 8.190 nan 0.000 0.465 647 F N -0.029 119.937 119.950 0.026 0.000 2.436 647 F HA 0.418 4.944 4.527 -0.000 0.000 0.340 647 F C 1.079 176.928 175.800 0.083 0.000 1.113 647 F CA -0.581 57.462 58.000 0.071 0.000 1.022 647 F CB 1.525 40.571 39.000 0.077 0.000 1.128 647 F HN -0.263 nan 8.300 nan 0.000 0.466 648 K N 1.738 122.298 120.400 0.267 0.000 2.076 648 K HA 0.068 4.388 4.320 -0.000 0.000 0.204 648 K C -0.041 176.708 176.600 0.249 0.000 1.051 648 K CA 0.982 57.398 56.287 0.216 0.000 0.949 648 K CB 0.231 32.855 32.500 0.207 0.000 0.726 648 K HN 0.776 nan 8.250 nan 0.000 0.443 649 C N -2.046 117.447 119.300 0.321 0.000 3.239 649 C HA 0.864 5.324 4.460 -0.000 0.000 0.317 649 C C -0.150 175.093 174.990 0.422 0.000 1.310 649 C CA -0.826 58.409 59.018 0.361 0.000 1.371 649 C CB 1.145 29.046 27.740 0.268 0.000 1.714 649 C HN 0.329 nan 8.230 nan 0.000 0.473 650 G N 0.664 109.755 108.800 0.485 0.000 2.660 650 G HA2 0.775 4.735 3.960 -0.000 0.000 0.294 650 G HA3 0.775 4.735 3.960 -0.000 0.000 0.294 650 G C -1.654 173.465 174.900 0.365 0.000 1.369 650 G CA -0.800 44.557 45.100 0.428 0.000 0.912 650 G HN 0.966 nan 8.290 nan 0.000 0.479 651 I N 0.690 121.446 120.570 0.309 0.000 2.433 651 I HA 0.611 4.781 4.170 -0.000 0.000 0.292 651 I C 0.079 176.321 176.117 0.209 0.000 1.001 651 I CA -0.992 60.379 61.300 0.118 0.000 1.119 651 I CB 2.290 40.370 38.000 0.133 0.000 1.289 651 I HN 0.582 nan 8.210 nan 0.000 0.438 652 A N 6.430 129.259 122.820 0.014 0.000 2.311 652 A HA 0.726 5.046 4.320 -0.000 0.000 0.306 652 A C -0.816 176.683 177.584 -0.142 0.000 1.189 652 A CA -0.489 51.559 52.037 0.018 0.000 0.791 652 A CB 1.075 20.137 19.000 0.103 0.000 1.172 652 A HN 0.427 nan 8.150 nan 0.000 0.481 653 V N 1.997 121.779 119.914 -0.219 0.000 2.394 653 V HA 0.574 4.694 4.120 -0.000 0.000 0.282 653 V C 1.065 176.781 176.094 -0.629 0.000 1.031 653 V CA 0.401 62.364 62.300 -0.562 0.000 0.881 653 V CB 0.790 31.984 31.823 -1.048 0.000 0.982 653 V HN 2.147 nan 8.190 nan 0.000 0.451 654 A N 5.302 127.709 122.820 -0.689 0.000 2.640 654 A HA -0.100 4.219 4.320 -0.000 0.000 0.300 654 A C -1.674 175.733 177.584 -0.294 0.000 1.499 654 A CA 0.352 51.909 52.037 -0.800 0.000 0.759 654 A CB -1.732 16.975 19.000 -0.489 0.000 1.048 654 A HN 0.644 nan 8.150 nan 0.000 0.450 655 P HA 0.354 nan 4.420 nan 0.000 0.275 655 P C 0.392 177.644 177.300 -0.081 0.000 1.227 655 P CA 0.042 63.100 63.100 -0.069 0.000 0.781 655 P CB 1.185 32.876 31.700 -0.015 0.000 0.906 656 V N 2.813 122.577 119.914 -0.249 0.000 2.763 656 V HA 0.001 4.121 4.120 -0.000 0.000 0.306 656 V C 1.817 177.703 176.094 -0.347 0.000 1.059 656 V CA 1.431 63.416 62.300 -0.526 0.000 1.138 656 V CB 0.722 31.788 31.823 -1.263 0.000 0.940 656 V HN 0.862 nan 8.190 nan 0.000 0.489 657 S N 4.868 120.369 115.700 -0.333 0.000 2.549 657 S HA 0.330 4.800 4.470 -0.000 0.000 0.225 657 S C 0.499 174.909 174.600 -0.317 0.000 1.039 657 S CA -0.254 57.837 58.200 -0.182 0.000 0.942 657 S CB 0.274 63.432 63.200 -0.070 0.000 0.881 657 S HN 0.745 nan 8.310 nan 0.000 0.503 658 R N -0.929 119.213 120.500 -0.598 0.000 2.647 658 R HA 0.258 4.598 4.340 -0.000 0.000 0.260 658 R C -1.090 174.842 176.300 -0.614 0.000 1.154 658 R CA -0.521 55.203 56.100 -0.627 0.000 1.029 658 R CB 0.022 29.793 30.300 -0.880 0.000 1.262 658 R HN 0.293 nan 8.270 nan 0.000 0.437 659 W N 1.907 123.078 121.300 -0.215 0.000 2.392 659 W HA -0.075 4.585 4.660 0.000 0.000 0.279 659 W C 1.196 177.815 176.519 0.167 0.000 1.225 659 W CA 0.806 58.107 57.345 -0.074 0.000 1.233 659 W CB 0.379 29.718 29.460 -0.201 0.000 1.122 659 W HN 0.670 nan 8.180 nan 0.000 0.561 660 E N -0.876 119.520 120.200 0.326 0.000 2.515 660 E HA -0.171 4.179 4.350 -0.000 0.000 0.201 660 E C 0.998 177.801 176.600 0.338 0.000 1.071 660 E CA 0.790 57.356 56.400 0.276 0.000 0.880 660 E CB -0.442 29.329 29.700 0.119 0.000 0.828 660 E HN 0.367 nan 8.360 nan 0.000 0.540 661 Y N -1.519 118.860 120.300 0.131 0.000 2.497 661 Y HA 0.161 4.711 4.550 -0.000 0.000 0.265 661 Y C 0.603 176.584 175.900 0.134 0.000 1.111 661 Y CA -0.720 57.424 58.100 0.072 0.000 1.288 661 Y CB -0.357 38.087 38.460 -0.026 0.000 1.082 661 Y HN 0.050 nan 8.280 nan 0.000 0.536 662 Y N 1.899 122.339 120.300 0.233 0.000 2.408 662 Y HA 0.316 4.866 4.550 -0.000 0.000 0.324 662 Y C 0.258 176.381 175.900 0.370 0.000 1.302 662 Y CA -1.930 56.313 58.100 0.240 0.000 1.384 662 Y CB 0.389 38.989 38.460 0.235 0.000 1.367 662 Y HN 0.152 nan 8.280 nan 0.000 0.525 663 D N -0.418 119.699 120.400 -0.472 0.000 2.382 663 D HA 0.068 4.708 4.640 -0.000 0.000 0.240 663 D C 0.905 177.196 176.300 -0.015 0.000 1.146 663 D CA 0.422 54.198 54.000 -0.373 0.000 0.897 663 D CB 0.988 41.285 40.800 -0.837 0.000 1.197 663 D HN 0.500 nan 8.370 nan 0.000 0.432 664 S N 1.279 116.978 115.700 -0.002 0.000 2.355 664 S HA -0.192 4.278 4.470 -0.000 0.000 0.222 664 S C 1.914 176.562 174.600 0.080 0.000 1.031 664 S CA 1.120 59.377 58.200 0.095 0.000 0.993 664 S CB -0.983 62.270 63.200 0.088 0.000 0.859 664 S HN 0.421 nan 8.310 nan 0.000 0.453 665 V N 0.988 120.887 119.914 -0.025 0.000 2.255 665 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 665 V C 2.348 178.377 176.094 -0.109 0.000 1.051 665 V CA 2.316 64.516 62.300 -0.167 0.000 1.018 665 V CB -1.208 30.337 31.823 -0.462 0.000 0.641 665 V HN 0.593 nan 8.190 nan 0.000 0.445 666 Y N 1.572 121.817 120.300 -0.092 0.000 2.133 666 Y HA -0.235 4.315 4.550 -0.000 0.000 0.287 666 Y C 2.755 178.659 175.900 0.006 0.000 1.134 666 Y CA 2.279 60.394 58.100 0.025 0.000 1.133 666 Y CB -0.821 37.850 38.460 0.352 0.000 0.987 666 Y HN 0.241 nan 8.280 nan 0.000 0.502 667 T N 0.322 115.178 114.554 0.504 0.000 2.684 667 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 667 T C 1.628 176.352 174.700 0.040 0.000 1.036 667 T CA 2.027 64.328 62.100 0.335 0.000 1.148 667 T CB -0.298 68.860 68.868 0.483 0.000 0.863 667 T HN 0.455 nan 8.240 nan 0.000 0.436 668 E N 0.457 120.682 120.200 0.043 0.000 2.107 668 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 668 E C 2.379 178.875 176.600 -0.173 0.000 0.982 668 E CA 0.323 56.732 56.400 0.015 0.000 0.809 668 E CB -0.135 29.611 29.700 0.078 0.000 0.756 668 E HN 0.300 nan 8.360 nan 0.000 0.459 669 R N -0.068 120.191 120.500 -0.401 0.000 2.198 669 R HA -0.252 4.088 4.340 -0.000 0.000 0.258 669 R C 1.136 176.904 176.300 -0.887 0.000 1.173 669 R CA 1.873 57.518 56.100 -0.758 0.000 0.991 669 R CB -0.054 29.442 30.300 -1.340 0.000 0.879 669 R HN 0.292 nan 8.270 nan 0.000 0.460 670 Y N -3.030 116.992 120.300 -0.464 0.000 2.535 670 Y HA 0.223 4.773 4.550 -0.000 0.000 0.264 670 Y C 1.806 177.532 175.900 -0.290 0.000 1.087 670 Y CA -0.115 57.682 58.100 -0.505 0.000 1.285 670 Y CB 0.341 38.356 38.460 -0.741 0.000 1.200 670 Y HN -0.081 nan 8.280 nan 0.000 0.514 671 M N -0.284 119.228 119.600 -0.147 0.000 2.367 671 M HA 0.367 4.847 4.480 -0.000 0.000 0.256 671 M C 1.011 177.327 176.300 0.028 0.000 1.091 671 M CA 0.911 56.108 55.300 -0.170 0.000 1.049 671 M CB -0.189 32.098 32.600 -0.521 0.000 1.406 671 M HN 0.379 nan 8.290 nan 0.000 0.498 672 G N 1.791 110.637 108.800 0.077 0.000 2.642 672 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.231 672 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.231 672 G C -0.646 174.414 174.900 0.267 0.000 1.338 672 G CA -0.786 44.403 45.100 0.147 0.000 0.883 672 G HN 0.334 nan 8.290 nan 0.000 0.570 673 L N 1.712 123.051 121.223 0.192 0.000 2.357 673 L HA 0.496 4.836 4.340 -0.000 0.000 0.273 673 L C -1.530 175.328 176.870 -0.020 0.000 1.080 673 L CA -1.794 53.103 54.840 0.095 0.000 0.803 673 L CB 1.913 43.990 42.059 0.030 0.000 1.174 673 L HN 0.434 nan 8.230 nan 0.000 0.443 674 P HA 0.097 nan 4.420 nan 0.000 0.212 674 P C -0.688 176.448 177.300 -0.274 0.000 1.816 674 P CA -0.204 62.437 63.100 -0.765 0.000 0.944 674 P CB -0.352 30.535 31.700 -1.354 0.000 1.896 675 T N -3.092 111.398 114.554 -0.106 0.000 2.908 675 T HA 0.470 4.820 4.350 -0.000 0.000 0.290 675 T C -2.262 172.434 174.700 -0.007 0.000 1.034 675 T CA -2.595 59.475 62.100 -0.050 0.000 1.010 675 T CB 1.738 70.588 68.868 -0.030 0.000 1.068 675 T HN -0.290 nan 8.240 nan 0.000 0.481 676 P HA -0.124 nan 4.420 nan 0.000 0.222 676 P C 1.323 178.638 177.300 0.025 0.000 1.142 676 P CA 0.885 63.994 63.100 0.016 0.000 0.788 676 P CB 0.153 31.860 31.700 0.010 0.000 0.767 677 E N -1.664 118.549 120.200 0.021 0.000 2.307 677 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 677 E C 1.024 177.645 176.600 0.035 0.000 0.975 677 E CA 0.474 56.888 56.400 0.024 0.000 0.878 677 E CB -0.426 29.283 29.700 0.015 0.000 0.845 677 E HN 0.153 nan 8.360 nan 0.000 0.488 678 D N 1.767 122.193 120.400 0.043 0.000 2.432 678 D HA 0.049 4.689 4.640 -0.000 0.000 0.270 678 D C 0.242 176.603 176.300 0.101 0.000 1.256 678 D CA 0.184 54.223 54.000 0.066 0.000 1.022 678 D CB -0.090 40.751 40.800 0.068 0.000 0.916 678 D HN 0.080 nan 8.370 nan 0.000 0.253 679 N N -0.028 118.768 118.700 0.161 0.000 2.497 679 N HA 0.091 4.831 4.740 -0.000 0.000 0.284 679 N C 0.903 176.622 175.510 0.349 0.000 1.459 679 N CA -0.121 53.074 53.050 0.241 0.000 0.899 679 N CB 0.462 39.112 38.487 0.271 0.000 1.316 679 N HN 0.009 nan 8.380 nan 0.000 0.500 680 L N 0.222 121.555 121.223 0.183 0.000 2.131 680 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 680 L C 1.334 178.312 176.870 0.180 0.000 1.092 680 L CA 1.862 56.781 54.840 0.131 0.000 0.759 680 L CB -0.075 42.001 42.059 0.029 0.000 0.903 680 L HN 0.181 nan 8.230 nan 0.000 0.435 681 D N -1.702 118.796 120.400 0.164 0.000 2.123 681 D HA -0.186 4.454 4.640 -0.000 0.000 0.200 681 D C 1.983 178.391 176.300 0.179 0.000 0.976 681 D CA 1.323 55.407 54.000 0.140 0.000 0.831 681 D CB 0.006 40.872 40.800 0.110 0.000 0.974 681 D HN 0.505 nan 8.370 nan 0.000 0.469 682 H N -0.999 118.133 119.070 0.105 0.000 2.436 682 H HA -0.026 4.530 4.556 -0.000 0.000 0.294 682 H C 1.477 176.861 175.328 0.095 0.000 1.048 682 H CA 1.116 57.203 56.048 0.065 0.000 1.353 682 H CB -0.342 29.424 29.762 0.007 0.000 1.414 682 H HN 0.124 nan 8.280 nan 0.000 0.536 683 Y N 0.555 120.827 120.300 -0.047 0.000 2.228 683 Y HA -0.238 4.312 4.550 -0.000 0.000 0.285 683 Y C 2.337 178.191 175.900 -0.076 0.000 1.178 683 Y CA 1.754 59.824 58.100 -0.050 0.000 1.202 683 Y CB 0.130 38.602 38.460 0.019 0.000 0.974 683 Y HN 0.205 nan 8.280 nan 0.000 0.527 684 R N -0.936 119.628 120.500 0.106 0.000 2.090 684 R HA -0.046 4.294 4.340 -0.000 0.000 0.219 684 R C 1.691 177.992 176.300 0.001 0.000 1.100 684 R CA 0.847 56.974 56.100 0.045 0.000 0.991 684 R CB -0.964 29.369 30.300 0.055 0.000 0.893 684 R HN 0.418 nan 8.270 nan 0.000 0.443 685 N N 1.519 120.224 118.700 0.007 0.000 2.635 685 N HA -0.096 4.644 4.740 -0.000 0.000 0.191 685 N C 0.305 175.798 175.510 -0.029 0.000 1.155 685 N CA 0.764 53.834 53.050 0.034 0.000 0.927 685 N CB 0.217 38.811 38.487 0.177 0.000 0.976 685 N HN 0.131 nan 8.380 nan 0.000 0.448 686 S N -1.203 114.421 115.700 -0.127 0.000 2.846 686 S HA 0.042 4.512 4.470 -0.000 0.000 0.249 686 S C 0.303 174.920 174.600 0.029 0.000 1.028 686 S CA -0.755 57.395 58.200 -0.082 0.000 1.043 686 S CB 0.081 63.109 63.200 -0.287 0.000 0.990 686 S HN 0.184 nan 8.310 nan 0.000 0.564 687 T N -0.675 113.865 114.554 -0.023 0.000 2.904 687 T HA 0.500 4.850 4.350 -0.000 0.000 0.290 687 T C 1.413 176.091 174.700 -0.037 0.000 1.018 687 T CA -0.442 61.630 62.100 -0.047 0.000 1.075 687 T CB 1.267 70.081 68.868 -0.090 0.000 0.986 687 T HN -0.014 nan 8.240 nan 0.000 0.523 688 V N 2.277 122.163 119.914 -0.047 0.000 2.407 688 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 688 V C 2.611 178.675 176.094 -0.050 0.000 1.055 688 V CA 1.742 64.011 62.300 -0.052 0.000 1.049 688 V CB -0.986 30.799 31.823 -0.064 0.000 0.662 688 V HN 0.825 nan 8.190 nan 0.000 0.455 689 M N 1.136 120.688 119.600 -0.080 0.000 2.117 689 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 689 M C 2.356 178.626 176.300 -0.050 0.000 1.065 689 M CA 2.143 57.391 55.300 -0.087 0.000 1.114 689 M CB -0.923 31.632 32.600 -0.074 0.000 1.361 689 M HN 0.511 nan 8.290 nan 0.000 0.408 690 S N -0.263 115.419 115.700 -0.031 0.000 2.537 690 S HA -0.073 4.397 4.470 -0.000 0.000 0.240 690 S C 1.576 176.179 174.600 0.005 0.000 0.981 690 S CA 0.695 58.888 58.200 -0.012 0.000 0.948 690 S CB -0.436 62.759 63.200 -0.009 0.000 0.759 690 S HN 0.512 nan 8.310 nan 0.000 0.531 691 R N 0.036 120.551 120.500 0.024 0.000 2.633 691 R HA 0.464 4.804 4.340 -0.000 0.000 0.348 691 R C 1.657 178.065 176.300 0.180 0.000 1.100 691 R CA 0.393 56.535 56.100 0.069 0.000 1.068 691 R CB 0.118 30.448 30.300 0.050 0.000 1.351 691 R HN 0.474 nan 8.270 nan 0.000 0.575 692 A N 1.030 123.902 122.820 0.085 0.000 1.897 692 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 692 A C 1.980 179.648 177.584 0.140 0.000 1.181 692 A CA 1.320 53.382 52.037 0.042 0.000 0.620 692 A CB -0.112 18.829 19.000 -0.098 0.000 0.821 692 A HN 0.290 nan 8.150 nan 0.000 0.443 693 E N 0.686 120.937 120.200 0.086 0.000 2.209 693 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 693 E C 1.588 178.245 176.600 0.096 0.000 0.993 693 E CA 1.634 58.080 56.400 0.076 0.000 0.819 693 E CB -0.438 29.288 29.700 0.044 0.000 0.745 693 E HN 0.745 nan 8.360 nan 0.000 0.477 694 N N -1.214 117.544 118.700 0.096 0.000 2.515 694 N HA -0.046 4.694 4.740 -0.000 0.000 0.185 694 N C 0.545 176.047 175.510 -0.014 0.000 1.109 694 N CA 0.021 53.079 53.050 0.014 0.000 0.903 694 N CB -0.000 38.449 38.487 -0.063 0.000 0.969 694 N HN 0.174 nan 8.380 nan 0.000 0.450 695 F N 1.595 121.502 119.950 -0.072 0.000 2.558 695 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 695 F C 1.989 177.790 175.800 0.002 0.000 1.119 695 F CA 0.631 58.585 58.000 -0.076 0.000 1.451 695 F CB 0.089 38.993 39.000 -0.160 0.000 1.091 695 F HN -0.126 nan 8.300 nan 0.000 0.563 696 K N 0.085 120.592 120.400 0.179 0.000 2.218 696 K HA -0.243 4.077 4.320 -0.000 0.000 0.205 696 K C 1.448 178.114 176.600 0.111 0.000 1.046 696 K CA 1.420 57.787 56.287 0.133 0.000 0.933 696 K CB -0.297 32.258 32.500 0.093 0.000 0.728 696 K HN 0.425 nan 8.250 nan 0.000 0.454 697 Q N 0.391 120.240 119.800 0.081 0.000 2.365 697 Q HA 0.034 4.374 4.340 -0.000 0.000 0.203 697 Q C -0.116 175.932 176.000 0.080 0.000 0.929 697 Q CA -0.035 55.805 55.803 0.062 0.000 0.948 697 Q CB 0.468 29.222 28.738 0.026 0.000 1.043 697 Q HN 0.138 nan 8.270 nan 0.000 0.505 698 V N -4.219 115.768 119.914 0.122 0.000 3.232 698 V HA 0.466 4.586 4.120 -0.000 0.000 0.303 698 V C -1.340 174.911 176.094 0.261 0.000 1.311 698 V CA -1.362 61.036 62.300 0.162 0.000 1.061 698 V CB 2.276 34.165 31.823 0.111 0.000 1.085 698 V HN -0.084 nan 8.190 nan 0.000 0.447 699 E N 0.810 121.199 120.200 0.315 0.000 2.175 699 E HA 0.610 4.960 4.350 -0.000 0.000 0.278 699 E C -2.011 174.997 176.600 0.680 0.000 0.969 699 E CA -0.529 56.141 56.400 0.450 0.000 0.796 699 E CB 1.983 31.887 29.700 0.339 0.000 1.104 699 E HN 0.698 nan 8.360 nan 0.000 0.395 700 Y N 3.357 123.945 120.300 0.480 0.000 2.386 700 Y HA 0.416 4.966 4.550 -0.000 0.000 0.334 700 Y C -1.913 174.035 175.900 0.079 0.000 1.002 700 Y CA -1.311 56.975 58.100 0.309 0.000 1.068 700 Y CB 1.075 39.753 38.460 0.363 0.000 1.203 700 Y HN 0.419 nan 8.280 nan 0.000 0.443 701 L N 7.743 128.578 121.223 -0.646 0.000 2.324 701 L HA 0.531 4.871 4.340 -0.000 0.000 0.274 701 L C -2.023 174.414 176.870 -0.723 0.000 1.012 701 L CA -0.671 53.712 54.840 -0.761 0.000 0.859 701 L CB 0.834 42.183 42.059 -1.183 0.000 1.224 701 L HN 0.638 nan 8.230 nan 0.000 0.429 702 L N 6.271 127.134 121.223 -0.601 0.000 2.290 702 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 702 L C -0.564 176.187 176.870 -0.199 0.000 1.078 702 L CA 0.293 54.877 54.840 -0.428 0.000 0.815 702 L CB 0.713 42.626 42.059 -0.243 0.000 1.162 702 L HN 0.537 nan 8.230 nan 0.000 0.435 703 I N 4.596 125.061 120.570 -0.177 0.000 2.608 703 I HA 0.443 4.613 4.170 -0.000 0.000 0.295 703 I C -0.932 175.171 176.117 -0.023 0.000 1.049 703 I CA -0.793 60.456 61.300 -0.085 0.000 1.063 703 I CB 1.907 39.834 38.000 -0.122 0.000 1.248 703 I HN 0.506 nan 8.210 nan 0.000 0.424 704 H N 2.554 121.685 119.070 0.102 0.000 3.086 704 H HA 0.353 4.909 4.556 -0.000 0.000 0.353 704 H C -0.715 174.850 175.328 0.394 0.000 1.134 704 H CA -0.550 55.617 56.048 0.200 0.000 1.248 704 H CB 2.438 32.279 29.762 0.131 0.000 1.878 704 H HN 0.761 nan 8.280 nan 0.000 0.527 705 G N 1.027 110.167 108.800 0.565 0.000 2.370 705 G HA2 0.216 4.176 3.960 -0.000 0.000 0.272 705 G HA3 0.216 4.176 3.960 -0.000 0.000 0.272 705 G C 1.124 176.272 174.900 0.413 0.000 1.208 705 G CA 0.217 45.596 45.100 0.464 0.000 0.856 705 G HN 0.645 nan 8.290 nan 0.000 0.500 706 T N -0.619 114.022 114.554 0.145 0.000 3.035 706 T HA 0.093 4.443 4.350 -0.000 0.000 0.268 706 T C 1.678 176.315 174.700 -0.106 0.000 1.109 706 T CA 1.222 63.207 62.100 -0.191 0.000 1.119 706 T CB 0.183 68.894 68.868 -0.260 0.000 0.900 706 T HN 0.670 nan 8.240 nan 0.000 0.503 707 A N 0.956 123.793 122.820 0.029 0.000 2.610 707 A HA 0.290 4.610 4.320 -0.000 0.000 0.286 707 A C 0.416 177.970 177.584 -0.049 0.000 1.306 707 A CA -0.516 51.541 52.037 0.033 0.000 0.942 707 A CB -0.255 18.991 19.000 0.411 0.000 1.112 707 A HN 0.408 nan 8.150 nan 0.000 0.527 708 D N 1.500 121.876 120.400 -0.039 0.000 2.344 708 D HA -0.015 4.625 4.640 -0.000 0.000 0.253 708 D C 0.316 176.600 176.300 -0.028 0.000 1.255 708 D CA 0.186 54.266 54.000 0.134 0.000 0.894 708 D CB 0.705 41.729 40.800 0.374 0.000 1.067 708 D HN 0.584 nan 8.370 nan 0.000 0.492 709 D N 2.788 123.242 120.400 0.091 0.000 2.194 709 D HA -0.180 4.460 4.640 -0.000 0.000 0.204 709 D C 1.201 177.500 176.300 -0.002 0.000 0.964 709 D CA 0.173 54.203 54.000 0.051 0.000 0.846 709 D CB 0.231 41.047 40.800 0.026 0.000 0.962 709 D HN 0.253 nan 8.370 nan 0.000 0.490 710 N N 0.964 119.747 118.700 0.138 0.000 2.131 710 N HA -0.104 4.636 4.740 -0.000 0.000 0.190 710 N C 0.023 175.473 175.510 -0.100 0.000 1.055 710 N CA 0.886 54.031 53.050 0.159 0.000 0.853 710 N CB -0.096 38.469 38.487 0.131 0.000 1.035 710 N HN -0.060 nan 8.380 nan 0.000 0.440 711 V N 2.269 122.126 119.914 -0.094 0.000 2.304 711 V HA 0.211 4.331 4.120 -0.000 0.000 0.269 711 V C -0.614 175.497 176.094 0.028 0.000 1.036 711 V CA -0.465 61.810 62.300 -0.041 0.000 0.840 711 V CB -0.118 31.735 31.823 0.051 0.000 1.036 711 V HN 0.338 nan 8.190 nan 0.000 0.466 712 H N 3.274 122.319 119.070 -0.041 0.000 2.790 712 H HA 0.070 4.626 4.556 -0.000 0.000 0.358 712 H C 0.746 175.918 175.328 -0.261 0.000 1.103 712 H CA -0.236 55.709 56.048 -0.172 0.000 1.426 712 H CB 0.800 30.378 29.762 -0.306 0.000 1.424 712 H HN 0.596 nan 8.280 nan 0.000 0.599 713 F N 1.733 121.468 119.950 -0.358 0.000 2.184 713 F HA -0.305 4.222 4.527 -0.000 0.000 0.301 713 F C 2.573 178.099 175.800 -0.457 0.000 1.076 713 F CA 1.823 59.425 58.000 -0.663 0.000 1.295 713 F CB -0.175 38.618 39.000 -0.346 0.000 1.026 713 F HN 0.664 nan 8.300 nan 0.000 0.494 714 Q N 0.176 119.846 119.800 -0.216 0.000 2.112 714 Q HA -0.293 4.047 4.340 -0.000 0.000 0.206 714 Q C 2.064 177.898 176.000 -0.277 0.000 0.987 714 Q CA 2.024 57.669 55.803 -0.263 0.000 0.858 714 Q CB -0.401 28.161 28.738 -0.294 0.000 0.905 714 Q HN 0.562 nan 8.270 nan 0.000 0.420 715 Q N 0.067 119.757 119.800 -0.183 0.000 2.029 715 Q HA -0.173 4.167 4.340 -0.000 0.000 0.209 715 Q C 2.306 178.256 176.000 -0.084 0.000 0.999 715 Q CA 2.141 57.949 55.803 0.008 0.000 0.857 715 Q CB -0.276 28.497 28.738 0.058 0.000 0.926 715 Q HN 0.408 nan 8.270 nan 0.000 0.415 716 S N 0.955 116.512 115.700 -0.238 0.000 2.371 716 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 716 S C 2.122 176.520 174.600 -0.336 0.000 1.029 716 S CA 0.820 58.873 58.200 -0.244 0.000 0.978 716 S CB -0.347 62.724 63.200 -0.216 0.000 0.833 716 S HN 0.515 nan 8.310 nan 0.000 0.466 717 A N 1.362 123.862 122.820 -0.534 0.000 2.054 717 A HA -0.220 4.100 4.320 -0.000 0.000 0.223 717 A C 2.074 179.566 177.584 -0.153 0.000 1.169 717 A CA 1.477 53.318 52.037 -0.326 0.000 0.655 717 A CB -0.429 18.422 19.000 -0.249 0.000 0.812 717 A HN 0.443 nan 8.150 nan 0.000 0.462 718 Q N -1.301 118.425 119.800 -0.124 0.000 2.391 718 Q HA 0.213 4.553 4.340 -0.000 0.000 0.211 718 Q C 1.987 177.938 176.000 -0.081 0.000 0.908 718 Q CA 0.396 56.172 55.803 -0.046 0.000 0.920 718 Q CB 0.016 28.804 28.738 0.083 0.000 1.056 718 Q HN 0.773 nan 8.270 nan 0.000 0.523 719 I N 1.234 121.730 120.570 -0.124 0.000 2.439 719 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 719 I C 2.398 178.341 176.117 -0.290 0.000 1.139 719 I CA 1.318 62.499 61.300 -0.198 0.000 1.438 719 I CB -0.100 37.802 38.000 -0.165 0.000 1.085 719 I HN 0.150 nan 8.210 nan 0.000 0.427 720 S N 0.643 116.217 115.700 -0.211 0.000 2.388 720 S HA -0.166 4.304 4.470 -0.000 0.000 0.223 720 S C 2.012 176.569 174.600 -0.071 0.000 1.034 720 S CA 0.653 58.744 58.200 -0.183 0.000 0.963 720 S CB -0.263 62.980 63.200 0.072 0.000 0.827 720 S HN 0.324 nan 8.310 nan 0.000 0.481 721 K N 1.992 122.363 120.400 -0.048 0.000 2.063 721 K HA 0.006 4.326 4.320 -0.000 0.000 0.208 721 K C 2.237 178.809 176.600 -0.047 0.000 1.048 721 K CA 1.293 57.568 56.287 -0.020 0.000 0.928 721 K CB -0.776 31.712 32.500 -0.020 0.000 0.713 721 K HN 0.410 nan 8.250 nan 0.000 0.442 722 A N 1.391 124.153 122.820 -0.098 0.000 1.883 722 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 722 A C 2.174 179.673 177.584 -0.143 0.000 1.186 722 A CA 1.564 53.532 52.037 -0.115 0.000 0.624 722 A CB -0.726 18.184 19.000 -0.151 0.000 0.822 722 A HN 0.354 nan 8.150 nan 0.000 0.444 723 L N -0.494 120.580 121.223 -0.249 0.000 2.046 723 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 723 L C 2.548 179.402 176.870 -0.027 0.000 1.077 723 L CA 1.217 55.896 54.840 -0.268 0.000 0.747 723 L CB -0.678 40.984 42.059 -0.661 0.000 0.896 723 L HN 0.260 nan 8.230 nan 0.000 0.432 724 V N -0.177 119.771 119.914 0.057 0.000 2.469 724 V HA -0.292 3.828 4.120 -0.000 0.000 0.251 724 V C 1.860 177.989 176.094 0.058 0.000 1.064 724 V CA 1.815 64.188 62.300 0.121 0.000 1.066 724 V CB -0.498 31.398 31.823 0.121 0.000 0.667 724 V HN 0.423 nan 8.190 nan 0.000 0.461 725 D N -0.256 120.156 120.400 0.019 0.000 2.347 725 D HA -0.031 4.609 4.640 -0.000 0.000 0.215 725 D C 1.485 177.793 176.300 0.014 0.000 0.976 725 D CA 1.238 55.245 54.000 0.012 0.000 0.884 725 D CB 0.330 41.128 40.800 -0.003 0.000 0.915 725 D HN 0.560 nan 8.370 nan 0.000 0.526 726 V N -4.233 115.689 119.914 0.014 0.000 3.159 726 V HA 0.551 4.671 4.120 -0.000 0.000 0.333 726 V C 0.986 177.103 176.094 0.039 0.000 1.424 726 V CA 0.113 62.425 62.300 0.020 0.000 1.125 726 V CB 0.179 32.009 31.823 0.011 0.000 1.075 726 V HN 0.071 nan 8.190 nan 0.000 0.482 727 G N 0.613 109.443 108.800 0.052 0.000 2.256 727 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.272 727 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.272 727 G C -0.161 174.796 174.900 0.094 0.000 1.076 727 G CA 0.257 45.398 45.100 0.068 0.000 0.882 727 G HN 0.969 nan 8.290 nan 0.000 0.497 728 V N 0.030 120.018 119.914 0.123 0.000 2.435 728 V HA 0.514 4.634 4.120 -0.000 0.000 0.290 728 V C 0.261 176.528 176.094 0.288 0.000 1.030 728 V CA -0.624 61.778 62.300 0.171 0.000 0.881 728 V CB 1.904 33.805 31.823 0.131 0.000 0.983 728 V HN 0.412 nan 8.190 nan 0.000 0.445 729 D N 3.610 124.162 120.400 0.253 0.000 2.210 729 D HA 0.666 5.306 4.640 -0.000 0.000 0.249 729 D C -0.752 175.775 176.300 0.377 0.000 1.078 729 D CA 0.116 54.260 54.000 0.240 0.000 0.875 729 D CB 0.848 41.722 40.800 0.124 0.000 1.175 729 D HN 0.400 nan 8.370 nan 0.000 0.440 730 F N -0.039 119.988 119.950 0.128 0.000 2.741 730 F HA 0.414 4.941 4.527 -0.000 0.000 0.311 730 F C -1.843 174.014 175.800 0.094 0.000 1.149 730 F CA -1.103 56.997 58.000 0.167 0.000 0.930 730 F CB 0.903 40.034 39.000 0.218 0.000 1.312 730 F HN 0.104 nan 8.300 nan 0.000 0.450 731 Q N 1.782 121.622 119.800 0.067 0.000 2.282 731 Q HA 0.796 5.136 4.340 -0.000 0.000 0.260 731 Q C -0.858 175.097 176.000 -0.075 0.000 0.964 731 Q CA -0.875 54.876 55.803 -0.087 0.000 0.880 731 Q CB 2.299 31.046 28.738 0.016 0.000 1.286 731 Q HN 1.019 nan 8.270 nan 0.000 0.445 732 A N 2.276 125.025 122.820 -0.120 0.000 2.430 732 A HA 0.874 5.194 4.320 -0.000 0.000 0.300 732 A C -1.112 176.396 177.584 -0.125 0.000 1.124 732 A CA -0.621 51.390 52.037 -0.043 0.000 0.766 732 A CB 1.867 20.900 19.000 0.055 0.000 1.328 732 A HN 0.645 nan 8.150 nan 0.000 0.424 733 M N 1.315 120.828 119.600 -0.146 0.000 2.274 733 M HA 0.533 5.013 4.480 -0.000 0.000 0.272 733 M C -1.852 174.300 176.300 -0.246 0.000 1.053 733 M CA -0.635 54.430 55.300 -0.392 0.000 0.978 733 M CB 1.069 33.344 32.600 -0.542 0.000 1.836 733 M HN 0.905 nan 8.290 nan 0.000 0.484 734 W N 4.469 125.617 121.300 -0.254 0.000 2.448 734 W HA 0.756 5.416 4.660 -0.000 0.000 0.339 734 W C -1.948 174.346 176.519 -0.374 0.000 1.124 734 W CA -0.709 56.570 57.345 -0.110 0.000 1.262 734 W CB 0.331 29.774 29.460 -0.029 0.000 1.251 734 W HN 0.621 nan 8.180 nan 0.000 0.597 735 Y N 2.544 123.004 120.300 0.267 0.000 2.526 735 Y HA 0.272 4.822 4.550 -0.000 0.000 0.328 735 Y C 0.641 176.646 175.900 0.176 0.000 0.995 735 Y CA -1.317 56.845 58.100 0.103 0.000 1.304 735 Y CB 1.187 39.665 38.460 0.030 0.000 1.096 735 Y HN 0.634 nan 8.280 nan 0.000 0.499 736 T N 0.672 115.422 114.554 0.327 0.000 2.888 736 T HA 0.170 4.520 4.350 -0.000 0.000 0.301 736 T C 0.490 175.242 174.700 0.087 0.000 1.001 736 T CA 0.258 62.476 62.100 0.196 0.000 1.147 736 T CB 0.352 69.297 68.868 0.129 0.000 0.931 736 T HN 0.761 nan 8.240 nan 0.000 0.541 737 D N 0.380 120.780 120.400 -0.001 0.000 2.837 737 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 737 D C 0.035 176.389 176.300 0.092 0.000 1.033 737 D CA 1.339 55.221 54.000 -0.196 0.000 1.021 737 D CB -0.777 39.695 40.800 -0.547 0.000 1.101 737 D HN 0.699 nan 8.370 nan 0.000 0.431 738 E N 1.207 121.504 120.200 0.161 0.000 2.383 738 E HA 0.304 4.654 4.350 -0.000 0.000 0.264 738 E C 0.753 177.512 176.600 0.266 0.000 1.050 738 E CA 0.126 56.654 56.400 0.212 0.000 0.896 738 E CB 0.758 30.578 29.700 0.201 0.000 0.982 738 E HN 0.477 nan 8.360 nan 0.000 0.424 739 D N -0.409 120.167 120.400 0.292 0.000 2.481 739 D HA 0.016 4.656 4.640 -0.000 0.000 0.283 739 D C 1.076 177.601 176.300 0.375 0.000 1.192 739 D CA -0.123 54.084 54.000 0.344 0.000 1.100 739 D CB -0.161 40.873 40.800 0.391 0.000 1.166 739 D HN 0.425 nan 8.370 nan 0.000 0.584 740 H N -1.827 117.428 119.070 0.309 0.000 2.457 740 H HA 0.162 4.718 4.556 -0.000 0.000 0.294 740 H C 1.804 177.412 175.328 0.466 0.000 1.064 740 H CA 1.954 58.209 56.048 0.346 0.000 1.330 740 H CB -0.261 29.695 29.762 0.323 0.000 1.395 740 H HN 0.458 nan 8.280 nan 0.000 0.541 741 G N -0.319 108.668 108.800 0.310 0.000 3.088 741 G HA2 0.118 4.078 3.960 -0.000 0.000 0.217 741 G HA3 0.118 4.078 3.960 -0.000 0.000 0.217 741 G C 0.293 175.357 174.900 0.273 0.000 1.159 741 G CA 0.075 45.283 45.100 0.181 0.000 0.760 741 G HN 0.465 nan 8.290 nan 0.000 0.550 742 I N 0.269 121.023 120.570 0.307 0.000 3.775 742 I HA -0.349 3.821 4.170 -0.000 0.000 0.126 742 I C 1.745 177.940 176.117 0.130 0.000 1.037 742 I CA 0.253 61.672 61.300 0.197 0.000 2.738 742 I CB -1.459 36.632 38.000 0.153 0.000 1.374 742 I HN 0.276 nan 8.210 nan 0.000 0.342 743 A N 1.780 124.658 122.820 0.096 0.000 2.021 743 A HA 0.084 4.404 4.320 -0.000 0.000 0.216 743 A C 1.350 178.953 177.584 0.032 0.000 1.163 743 A CA 0.567 52.616 52.037 0.019 0.000 0.676 743 A CB 0.049 19.064 19.000 0.024 0.000 0.818 743 A HN 0.556 nan 8.150 nan 0.000 0.453 744 S N 0.755 116.496 115.700 0.070 0.000 2.593 744 S HA 0.036 4.506 4.470 -0.000 0.000 0.300 744 S C 1.362 176.009 174.600 0.078 0.000 1.267 744 S CA 0.425 58.668 58.200 0.072 0.000 1.065 744 S CB 1.005 64.252 63.200 0.078 0.000 0.807 744 S HN 0.532 nan 8.310 nan 0.000 0.499 745 S N 3.031 118.773 115.700 0.070 0.000 2.372 745 S HA -0.200 4.270 4.470 -0.000 0.000 0.227 745 S C 2.285 176.937 174.600 0.087 0.000 1.044 745 S CA 2.148 60.398 58.200 0.082 0.000 1.050 745 S CB -0.775 62.456 63.200 0.051 0.000 0.901 745 S HN 0.971 nan 8.310 nan 0.000 0.447 746 T N 0.157 114.751 114.554 0.068 0.000 2.788 746 T HA 0.097 4.447 4.350 -0.000 0.000 0.268 746 T C 1.917 176.667 174.700 0.084 0.000 1.044 746 T CA 1.307 63.448 62.100 0.069 0.000 1.139 746 T CB -0.777 68.128 68.868 0.061 0.000 0.867 746 T HN 0.444 nan 8.240 nan 0.000 0.454 747 A N 1.635 124.486 122.820 0.052 0.000 1.854 747 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 747 A C 2.202 179.753 177.584 -0.055 0.000 1.192 747 A CA 1.831 53.834 52.037 -0.057 0.000 0.611 747 A CB -1.295 17.628 19.000 -0.127 0.000 0.832 747 A HN 0.623 nan 8.150 nan 0.000 0.442 748 H N 0.197 119.234 119.070 -0.055 0.000 2.255 748 H HA -0.239 4.317 4.556 -0.000 0.000 0.290 748 H C 2.124 177.496 175.328 0.073 0.000 1.087 748 H CA 2.616 58.688 56.048 0.040 0.000 1.213 748 H CB -0.514 29.267 29.762 0.031 0.000 1.349 748 H HN 0.605 nan 8.280 nan 0.000 0.487 749 Q N -1.224 118.527 119.800 -0.081 0.000 2.061 749 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 749 Q C 2.417 178.378 176.000 -0.065 0.000 0.984 749 Q CA 1.495 57.198 55.803 -0.166 0.000 0.846 749 Q CB -0.350 28.328 28.738 -0.099 0.000 0.902 749 Q HN 0.629 nan 8.270 nan 0.000 0.421 750 H N 0.705 119.744 119.070 -0.051 0.000 2.319 750 H HA -0.142 4.413 4.556 -0.000 0.000 0.297 750 H C 2.031 177.374 175.328 0.025 0.000 1.097 750 H CA 1.677 57.736 56.048 0.018 0.000 1.285 750 H CB -0.169 29.652 29.762 0.098 0.000 1.368 750 H HN 0.291 nan 8.280 nan 0.000 0.495 751 I N -0.093 120.512 120.570 0.058 0.000 2.252 751 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 751 I C 1.803 177.746 176.117 -0.290 0.000 1.102 751 I CA 1.156 62.415 61.300 -0.068 0.000 1.385 751 I CB -0.255 37.533 38.000 -0.353 0.000 1.064 751 I HN 0.127 nan 8.210 nan 0.000 0.414 752 Y N 0.832 120.962 120.300 -0.283 0.000 2.421 752 Y HA -0.183 4.367 4.550 -0.000 0.000 0.292 752 Y C 2.631 178.347 175.900 -0.308 0.000 1.136 752 Y CA 1.613 59.416 58.100 -0.494 0.000 1.255 752 Y CB -0.753 37.378 38.460 -0.549 0.000 0.991 752 Y HN 0.169 nan 8.280 nan 0.000 0.552 753 T N -1.609 112.875 114.554 -0.117 0.000 2.701 753 T HA -0.233 4.117 4.350 -0.000 0.000 0.263 753 T C 1.566 176.184 174.700 -0.137 0.000 1.040 753 T CA 1.901 63.901 62.100 -0.166 0.000 1.147 753 T CB -0.498 68.257 68.868 -0.187 0.000 0.865 753 T HN 0.382 nan 8.240 nan 0.000 0.426 754 H N 0.991 119.974 119.070 -0.145 0.000 2.319 754 H HA 0.071 4.627 4.556 -0.000 0.000 0.299 754 H C 2.244 177.574 175.328 0.002 0.000 1.092 754 H CA 1.604 57.636 56.048 -0.027 0.000 1.302 754 H CB -0.343 29.432 29.762 0.021 0.000 1.373 754 H HN 0.210 nan 8.280 nan 0.000 0.497 755 M N -0.610 118.945 119.600 -0.075 0.000 2.108 755 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 755 M C 2.410 178.809 176.300 0.166 0.000 1.066 755 M CA 1.766 57.004 55.300 -0.104 0.000 1.107 755 M CB -0.253 32.014 32.600 -0.556 0.000 1.356 755 M HN 0.259 nan 8.290 nan 0.000 0.406 756 S N -0.621 115.204 115.700 0.208 0.000 2.356 756 S HA -0.160 4.310 4.470 -0.000 0.000 0.223 756 S C 1.640 176.304 174.600 0.108 0.000 1.032 756 S CA 1.034 59.421 58.200 0.312 0.000 1.005 756 S CB -0.649 62.724 63.200 0.289 0.000 0.867 756 S HN 0.460 nan 8.310 nan 0.000 0.449 757 H N 0.409 119.528 119.070 0.083 0.000 2.265 757 H HA -0.094 4.462 4.556 -0.000 0.000 0.295 757 H C 1.998 177.321 175.328 -0.007 0.000 1.084 757 H CA 1.562 57.614 56.048 0.007 0.000 1.261 757 H CB -1.076 28.647 29.762 -0.066 0.000 1.360 757 H HN 0.415 nan 8.280 nan 0.000 0.487 758 F N 1.244 121.166 119.950 -0.048 0.000 2.085 758 F HA -0.273 4.254 4.527 -0.000 0.000 0.299 758 F C 2.465 178.211 175.800 -0.090 0.000 1.096 758 F CA 1.177 59.127 58.000 -0.083 0.000 1.227 758 F CB -0.384 38.549 39.000 -0.112 0.000 0.983 758 F HN 0.019 nan 8.300 nan 0.000 0.482 759 I N 0.394 120.971 120.570 0.012 0.000 2.142 759 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 759 I C 2.330 178.200 176.117 -0.411 0.000 1.078 759 I CA 1.666 62.812 61.300 -0.258 0.000 1.343 759 I CB -1.190 36.736 38.000 -0.124 0.000 1.046 759 I HN 0.193 nan 8.210 nan 0.000 0.405 760 K N 0.086 120.404 120.400 -0.137 0.000 2.057 760 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 760 K C 2.109 178.683 176.600 -0.043 0.000 1.049 760 K CA 1.368 57.637 56.287 -0.030 0.000 0.931 760 K CB -0.195 32.347 32.500 0.070 0.000 0.714 760 K HN 0.235 nan 8.250 nan 0.000 0.440 761 Q N 0.063 119.803 119.800 -0.100 0.000 2.077 761 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 761 Q C 2.016 177.931 176.000 -0.140 0.000 0.989 761 Q CA 1.925 57.659 55.803 -0.115 0.000 0.853 761 Q CB -0.084 28.561 28.738 -0.155 0.000 0.907 761 Q HN 0.381 nan 8.270 nan 0.000 0.418 762 C N -0.598 118.533 119.300 -0.281 0.000 2.448 762 C HA -0.026 4.434 4.460 -0.000 0.000 0.280 762 C C 1.670 176.769 174.990 0.182 0.000 1.398 762 C CA 0.057 58.978 59.018 -0.162 0.000 1.774 762 C CB -0.857 26.688 27.740 -0.324 0.000 1.888 762 C HN 0.455 nan 8.230 nan 0.000 0.519 763 F N 0.841 120.754 119.950 -0.063 0.000 2.721 763 F HA 0.152 4.679 4.527 -0.000 0.000 0.301 763 F C 1.440 177.226 175.800 -0.023 0.000 1.096 763 F CA -0.038 57.945 58.000 -0.029 0.000 1.308 763 F CB -1.054 37.936 39.000 -0.017 0.000 1.086 763 F HN 0.114 nan 8.300 nan 0.000 0.587 764 S N 1.193 116.983 115.700 0.150 0.000 3.884 764 S HA -0.167 4.303 4.470 -0.000 0.000 0.374 764 S C -0.370 174.273 174.600 0.073 0.000 0.971 764 S CA 0.092 58.338 58.200 0.076 0.000 1.152 764 S CB -2.371 60.858 63.200 0.048 0.000 0.877 764 S HN 0.240 nan 8.310 nan 0.000 0.491 765 L N 0.852 122.126 121.223 0.087 0.000 2.346 765 L HA 0.728 5.068 4.340 -0.000 0.000 0.274 765 L C -1.314 175.597 176.870 0.069 0.000 1.007 765 L CA -2.140 52.747 54.840 0.079 0.000 0.818 765 L CB 0.634 42.756 42.059 0.105 0.000 1.284 765 L HN 0.051 nan 8.230 nan 0.000 0.424 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.134 63.100 0.056 0.000 0.800 766 P CB 0.000 31.727 31.700 0.045 0.000 0.726