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 2v58_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.302 176.300 0.003 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 L N 2.754 123.980 121.223 0.006 0.000 2.410 2 L HA 0.212 4.552 4.340 0.001 0.000 0.273 2 L C 0.802 177.682 176.870 0.016 0.000 1.152 2 L CA -0.025 54.823 54.840 0.013 0.000 0.855 2 L CB 0.318 42.386 42.059 0.015 0.000 1.129 2 L HN 0.847 nan 8.230 nan 0.000 0.463 3 D N 2.153 122.565 120.400 0.020 0.000 2.097 3 D HA -0.085 4.555 4.640 0.001 0.000 0.197 3 D C 0.487 176.802 176.300 0.026 0.000 0.984 3 D CA 1.386 55.398 54.000 0.020 0.000 0.826 3 D CB 0.418 41.230 40.800 0.020 0.000 0.973 3 D HN 0.462 nan 8.370 nan 0.000 0.460 4 K N -0.329 120.093 120.400 0.037 0.000 2.550 4 K HA 0.385 4.705 4.320 0.001 0.000 0.252 4 K C -1.554 175.077 176.600 0.052 0.000 0.943 4 K CA -0.817 55.495 56.287 0.042 0.000 0.806 4 K CB 1.386 33.914 32.500 0.046 0.000 1.289 4 K HN 0.204 nan 8.250 nan 0.000 0.435 5 I N 0.326 120.921 120.570 0.040 0.000 2.785 5 I HA 0.550 4.721 4.170 0.001 0.000 0.302 5 I C -1.118 175.014 176.117 0.025 0.000 1.069 5 I CA -1.044 60.278 61.300 0.037 0.000 1.045 5 I CB 2.170 40.190 38.000 0.034 0.000 1.236 5 I HN 0.176 nan 8.210 nan 0.000 0.429 6 V N 5.996 125.913 119.914 0.006 0.000 2.432 6 V HA 0.339 4.460 4.120 0.001 0.000 0.275 6 V C 0.307 176.410 176.094 0.016 0.000 1.043 6 V CA -0.311 61.989 62.300 -0.001 0.000 0.925 6 V CB 1.221 33.017 31.823 -0.044 0.000 0.985 6 V HN 0.517 nan 8.190 nan 0.000 0.466 7 I N 4.755 125.336 120.570 0.019 0.000 2.269 7 I HA 0.306 4.477 4.170 0.001 0.000 0.293 7 I C 0.957 177.066 176.117 -0.014 0.000 1.106 7 I CA -0.042 61.248 61.300 -0.016 0.000 1.248 7 I CB 0.952 38.917 38.000 -0.058 0.000 1.444 7 I HN 0.677 nan 8.210 nan 0.000 0.497 8 A N 6.235 129.052 122.820 -0.005 0.000 3.118 8 A HA 0.329 4.649 4.320 0.001 0.000 0.256 8 A C 0.170 177.680 177.584 -0.122 0.000 1.667 8 A CA 0.048 52.076 52.037 -0.014 0.000 1.338 8 A CB -0.579 18.459 19.000 0.062 0.000 1.127 8 A HN 0.785 nan 8.150 nan 0.000 0.634 9 N N 0.023 118.595 118.700 -0.213 0.000 3.387 9 N HA 0.396 5.136 4.740 0.001 0.000 0.294 9 N C -0.953 174.228 175.510 -0.549 0.000 1.519 9 N CA -0.387 52.386 53.050 -0.462 0.000 0.875 9 N CB 1.252 39.522 38.487 -0.362 0.000 1.657 9 N HN 0.655 nan 8.380 nan 0.000 0.527 10 R N -0.873 119.233 120.500 -0.656 0.000 2.906 10 R HA 0.745 5.085 4.340 0.001 0.000 0.258 10 R C 0.583 176.551 176.300 -0.552 0.000 1.156 10 R CA -0.034 55.715 56.100 -0.584 0.000 0.996 10 R CB 0.106 29.908 30.300 -0.831 0.000 1.259 10 R HN 0.679 nan 8.270 nan 0.000 0.462 11 G N 0.925 109.372 108.800 -0.588 0.000 2.566 11 G HA2 -0.460 3.500 3.960 0.001 0.000 0.280 11 G HA3 -0.460 3.500 3.960 0.001 0.000 0.280 11 G C 0.653 175.159 174.900 -0.656 0.000 1.225 11 G CA 1.019 45.532 45.100 -0.979 0.000 0.966 11 G HN 0.995 nan 8.290 nan 0.000 0.560 12 E N -0.315 119.704 120.200 -0.302 0.000 2.106 12 E HA 0.068 4.418 4.350 0.001 0.000 0.192 12 E C 2.470 178.969 176.600 -0.168 0.000 0.984 12 E CA 1.989 58.346 56.400 -0.071 0.000 0.806 12 E CB -0.146 29.568 29.700 0.025 0.000 0.750 12 E HN 0.767 nan 8.360 nan 0.000 0.458 13 I N 0.828 121.251 120.570 -0.245 0.000 2.439 13 I HA -0.007 4.163 4.170 0.001 0.000 0.251 13 I C 2.202 178.074 176.117 -0.408 0.000 1.139 13 I CA 1.205 62.316 61.300 -0.315 0.000 1.438 13 I CB -0.587 37.026 38.000 -0.645 0.000 1.085 13 I HN 0.232 nan 8.210 nan 0.000 0.427 14 A N 0.016 122.514 122.820 -0.537 0.000 1.933 14 A HA -0.179 4.141 4.320 0.001 0.000 0.218 14 A C 2.218 179.471 177.584 -0.553 0.000 1.175 14 A CA 1.827 53.433 52.037 -0.719 0.000 0.628 14 A CB -1.037 17.174 19.000 -1.314 0.000 0.814 14 A HN 0.475 nan 8.150 nan 0.000 0.444 15 L N -0.294 120.700 121.223 -0.381 0.000 2.056 15 L HA -0.080 4.261 4.340 0.001 0.000 0.207 15 L C 2.393 179.197 176.870 -0.111 0.000 1.078 15 L CA 2.360 57.119 54.840 -0.134 0.000 0.749 15 L CB -0.615 41.414 42.059 -0.050 0.000 0.901 15 L HN 0.411 nan 8.230 nan 0.000 0.433 16 R N 0.139 120.560 120.500 -0.131 0.000 2.083 16 R HA -0.164 4.177 4.340 0.001 0.000 0.237 16 R C 2.128 178.360 176.300 -0.113 0.000 1.137 16 R CA 2.336 58.388 56.100 -0.080 0.000 0.951 16 R CB -0.829 29.455 30.300 -0.026 0.000 0.851 16 R HN 0.517 nan 8.270 nan 0.000 0.434 17 I N 0.195 120.637 120.570 -0.213 0.000 2.252 17 I HA -0.231 3.940 4.170 0.001 0.000 0.245 17 I C 2.344 178.379 176.117 -0.137 0.000 1.102 17 I CA 1.102 62.252 61.300 -0.251 0.000 1.385 17 I CB -0.335 37.393 38.000 -0.453 0.000 1.064 17 I HN 0.226 nan 8.210 nan 0.000 0.414 18 L N 0.902 122.060 121.223 -0.109 0.000 2.013 18 L HA -0.268 4.072 4.340 0.001 0.000 0.212 18 L C 2.805 179.663 176.870 -0.021 0.000 1.073 18 L CA 1.749 56.569 54.840 -0.034 0.000 0.753 18 L CB -0.291 41.779 42.059 0.019 0.000 0.890 18 L HN 0.098 nan 8.230 nan 0.000 0.432 19 R N -0.456 120.030 120.500 -0.024 0.000 2.081 19 R HA -0.155 4.185 4.340 0.001 0.000 0.235 19 R C 2.345 178.640 176.300 -0.008 0.000 1.131 19 R CA 1.370 57.465 56.100 -0.008 0.000 0.960 19 R CB -0.633 29.665 30.300 -0.002 0.000 0.856 19 R HN 0.568 nan 8.270 nan 0.000 0.436 20 A N 0.518 123.328 122.820 -0.018 0.000 1.902 20 A HA -0.190 4.131 4.320 0.001 0.000 0.217 20 A C 2.389 179.969 177.584 -0.006 0.000 1.181 20 A CA 1.494 53.524 52.037 -0.011 0.000 0.623 20 A CB -0.836 18.152 19.000 -0.021 0.000 0.818 20 A HN 0.462 nan 8.150 nan 0.000 0.443 21 C N -0.584 118.709 119.300 -0.011 0.000 2.432 21 C HA -0.089 4.372 4.460 0.001 0.000 0.277 21 C C 2.716 177.707 174.990 0.003 0.000 1.249 21 C CA 1.307 60.324 59.018 -0.001 0.000 1.725 21 C CB -1.043 26.696 27.740 -0.001 0.000 2.028 21 C HN 0.610 nan 8.230 nan 0.000 0.477 22 K N 0.628 121.029 120.400 0.002 0.000 2.103 22 K HA -0.178 4.142 4.320 0.001 0.000 0.207 22 K C 1.868 178.471 176.600 0.005 0.000 1.048 22 K CA 1.440 57.730 56.287 0.005 0.000 0.930 22 K CB -0.274 32.230 32.500 0.006 0.000 0.716 22 K HN 0.613 nan 8.250 nan 0.000 0.444 23 E N 0.546 120.749 120.200 0.005 0.000 2.153 23 E HA -0.138 4.213 4.350 0.001 0.000 0.194 23 E C 1.577 178.180 176.600 0.006 0.000 0.988 23 E CA 0.820 57.224 56.400 0.006 0.000 0.811 23 E CB 0.057 29.761 29.700 0.007 0.000 0.746 23 E HN 0.254 nan 8.360 nan 0.000 0.466 24 L N -0.730 120.496 121.223 0.005 0.000 2.607 24 L HA 0.209 4.549 4.340 0.001 0.000 0.228 24 L C 1.159 178.032 176.870 0.005 0.000 1.123 24 L CA 0.165 55.008 54.840 0.005 0.000 0.890 24 L CB 0.419 42.481 42.059 0.005 0.000 1.103 24 L HN 0.229 nan 8.230 nan 0.000 0.468 25 G N 1.223 110.027 108.800 0.006 0.000 2.147 25 G HA2 -0.284 3.676 3.960 0.001 0.000 0.244 25 G HA3 -0.284 3.676 3.960 0.001 0.000 0.244 25 G C 0.152 175.057 174.900 0.008 0.000 1.005 25 G CA -0.130 44.974 45.100 0.007 0.000 0.713 25 G HN 0.309 nan 8.290 nan 0.000 0.515 26 I N 0.698 121.273 120.570 0.009 0.000 2.371 26 I HA 0.249 4.420 4.170 0.001 0.000 0.290 26 I C 0.878 177.004 176.117 0.014 0.000 1.028 26 I CA -0.534 60.774 61.300 0.012 0.000 1.345 26 I CB 0.944 38.952 38.000 0.013 0.000 1.407 26 I HN -0.013 nan 8.210 nan 0.000 0.501 27 K N 4.425 124.835 120.400 0.016 0.000 2.382 27 K HA 0.218 4.539 4.320 0.001 0.000 0.275 27 K C 0.142 176.754 176.600 0.021 0.000 1.009 27 K CA -0.175 56.123 56.287 0.017 0.000 0.970 27 K CB 0.543 33.054 32.500 0.019 0.000 0.934 27 K HN 0.671 nan 8.250 nan 0.000 0.479 28 T N -1.583 112.983 114.554 0.020 0.000 2.824 28 T HA 0.446 4.796 4.350 0.001 0.000 0.280 28 T C -0.289 174.428 174.700 0.028 0.000 0.995 28 T CA -0.960 61.155 62.100 0.026 0.000 1.009 28 T CB 1.180 70.066 68.868 0.030 0.000 0.955 28 T HN 0.139 nan 8.240 nan 0.000 0.452 29 V N 2.471 122.405 119.914 0.033 0.000 2.378 29 V HA 0.679 4.800 4.120 0.001 0.000 0.288 29 V C 0.370 176.494 176.094 0.050 0.000 1.016 29 V CA -1.023 61.296 62.300 0.032 0.000 0.840 29 V CB 1.015 32.852 31.823 0.022 0.000 0.994 29 V HN 1.232 nan 8.190 nan 0.000 0.431 30 A N 5.539 128.394 122.820 0.058 0.000 2.294 30 A HA 0.677 4.997 4.320 0.001 0.000 0.316 30 A C -0.035 177.623 177.584 0.122 0.000 1.359 30 A CA -0.461 51.636 52.037 0.100 0.000 0.956 30 A CB 0.529 19.510 19.000 -0.032 0.000 1.155 30 A HN 1.161 nan 8.150 nan 0.000 0.544 31 V N 2.275 122.249 119.914 0.101 0.000 2.546 31 V HA 0.751 4.871 4.120 0.001 0.000 0.284 31 V C -0.298 175.854 176.094 0.098 0.000 1.050 31 V CA -0.217 62.091 62.300 0.013 0.000 0.981 31 V CB 0.108 31.897 31.823 -0.057 0.000 0.990 31 V HN 1.076 nan 8.190 nan 0.000 0.474 32 H N 1.438 120.457 119.070 -0.085 0.000 3.012 32 H HA 0.778 5.335 4.556 0.001 0.000 0.367 32 H C -0.159 175.007 175.328 -0.269 0.000 1.211 32 H CA -0.179 55.823 56.048 -0.078 0.000 1.139 32 H CB 1.105 30.877 29.762 0.016 0.000 1.838 32 H HN 0.911 nan 8.280 nan 0.000 0.550 33 S N 1.042 116.593 115.700 -0.249 0.000 2.600 33 S HA 0.093 4.564 4.470 0.001 0.000 0.265 33 S C 0.759 175.412 174.600 0.089 0.000 1.325 33 S CA -0.068 58.020 58.200 -0.186 0.000 1.002 33 S CB 1.119 64.281 63.200 -0.062 0.000 0.921 33 S HN 0.684 nan 8.310 nan 0.000 0.554 34 S N 1.111 116.818 115.700 0.013 0.000 2.400 34 S HA -0.084 4.387 4.470 0.001 0.000 0.232 34 S C 1.990 176.666 174.600 0.127 0.000 1.025 34 S CA 1.175 59.418 58.200 0.072 0.000 0.993 34 S CB -0.865 62.332 63.200 -0.004 0.000 0.808 34 S HN 0.915 nan 8.310 nan 0.000 0.478 35 A N 0.688 123.588 122.820 0.133 0.000 2.123 35 A HA 0.040 4.360 4.320 0.001 0.000 0.214 35 A C 1.145 178.902 177.584 0.288 0.000 1.152 35 A CA 0.745 52.906 52.037 0.206 0.000 0.728 35 A CB 0.007 19.134 19.000 0.211 0.000 0.814 35 A HN 0.238 nan 8.150 nan 0.000 0.464 36 D N -1.110 119.468 120.400 0.296 0.000 2.463 36 D HA 0.116 4.756 4.640 0.001 0.000 0.224 36 D C 1.485 177.830 176.300 0.074 0.000 1.174 36 D CA -0.067 54.093 54.000 0.266 0.000 0.829 36 D CB 0.053 41.040 40.800 0.311 0.000 0.993 36 D HN 0.418 nan 8.370 nan 0.000 0.497 37 R N 0.612 121.127 120.500 0.023 0.000 2.159 37 R HA -0.103 4.237 4.340 0.001 0.000 0.237 37 R C 0.258 176.482 176.300 -0.127 0.000 1.131 37 R CA 1.201 57.171 56.100 -0.217 0.000 0.982 37 R CB 0.304 30.588 30.300 -0.026 0.000 0.868 37 R HN -0.058 nan 8.270 nan 0.000 0.453 38 D N 0.050 120.494 120.400 0.073 0.000 2.368 38 D HA 0.074 4.715 4.640 0.001 0.000 0.218 38 D C -0.086 176.383 176.300 0.281 0.000 1.112 38 D CA -0.030 54.085 54.000 0.192 0.000 0.834 38 D CB 0.215 41.198 40.800 0.305 0.000 0.953 38 D HN 0.207 nan 8.370 nan 0.000 0.505 39 L N 1.257 122.574 121.223 0.157 0.000 2.514 39 L HA -0.017 4.324 4.340 0.001 0.000 0.280 39 L C 2.050 178.946 176.870 0.042 0.000 1.223 39 L CA 0.141 55.042 54.840 0.102 0.000 0.864 39 L CB 1.027 43.125 42.059 0.066 0.000 1.118 39 L HN -0.136 nan 8.230 nan 0.000 0.494 40 K N 2.167 122.627 120.400 0.100 0.000 2.044 40 K HA -0.239 4.081 4.320 0.001 0.000 0.210 40 K C 2.044 178.648 176.600 0.007 0.000 1.049 40 K CA 1.949 58.268 56.287 0.054 0.000 0.927 40 K CB -0.107 32.448 32.500 0.092 0.000 0.713 40 K HN 0.819 nan 8.250 nan 0.000 0.443 41 H N -0.357 118.687 119.070 -0.042 0.000 2.423 41 H HA -0.047 4.509 4.556 0.001 0.000 0.297 41 H C 1.903 177.201 175.328 -0.051 0.000 1.075 41 H CA 1.241 57.256 56.048 -0.055 0.000 1.342 41 H CB -0.572 29.141 29.762 -0.080 0.000 1.395 41 H HN 0.003 nan 8.280 nan 0.000 0.530 42 V N 1.958 121.390 119.914 -0.803 0.000 2.343 42 V HA -0.245 3.876 4.120 0.001 0.000 0.247 42 V C 3.096 179.029 176.094 -0.269 0.000 1.051 42 V CA 1.673 63.629 62.300 -0.574 0.000 1.036 42 V CB -0.626 30.872 31.823 -0.542 0.000 0.654 42 V HN 0.296 nan 8.190 nan 0.000 0.451 43 L N -0.912 120.195 121.223 -0.192 0.000 2.275 43 L HA -0.084 4.257 4.340 0.001 0.000 0.215 43 L C 2.098 178.914 176.870 -0.091 0.000 1.119 43 L CA 1.134 55.901 54.840 -0.121 0.000 0.790 43 L CB -0.358 41.635 42.059 -0.110 0.000 0.919 43 L HN 0.313 nan 8.230 nan 0.000 0.443 44 L N -0.680 120.494 121.223 -0.082 0.000 2.554 44 L HA 0.230 4.570 4.340 0.001 0.000 0.225 44 L C 1.364 178.216 176.870 -0.031 0.000 1.104 44 L CA -0.475 54.339 54.840 -0.043 0.000 0.866 44 L CB -0.131 41.918 42.059 -0.017 0.000 1.047 44 L HN 0.096 nan 8.230 nan 0.000 0.468 45 A N 0.056 122.847 122.820 -0.049 0.000 2.386 45 A HA 0.040 4.361 4.320 0.001 0.000 0.248 45 A C 0.712 178.286 177.584 -0.016 0.000 1.082 45 A CA -0.255 51.768 52.037 -0.023 0.000 0.789 45 A CB 0.255 19.234 19.000 -0.034 0.000 1.025 45 A HN 0.151 nan 8.150 nan 0.000 0.490 46 D N 0.310 120.710 120.400 -0.001 0.000 2.144 46 D HA -0.016 4.625 4.640 0.001 0.000 0.200 46 D C 0.285 176.587 176.300 0.003 0.000 0.978 46 D CA 1.422 55.423 54.000 0.002 0.000 0.833 46 D CB 0.274 41.079 40.800 0.008 0.000 0.961 46 D HN 0.730 nan 8.370 nan 0.000 0.470 47 E N -0.761 119.443 120.200 0.008 0.000 2.340 47 E HA 0.396 4.746 4.350 0.001 0.000 0.273 47 E C -0.788 175.823 176.600 0.019 0.000 0.891 47 E CA -0.558 55.849 56.400 0.013 0.000 0.757 47 E CB 2.603 32.313 29.700 0.017 0.000 1.231 47 E HN -0.035 nan 8.360 nan 0.000 0.439 48 T N -1.713 112.860 114.554 0.032 0.000 2.893 48 T HA 0.688 5.038 4.350 0.001 0.000 0.293 48 T C -0.833 173.907 174.700 0.067 0.000 1.027 48 T CA -0.703 61.443 62.100 0.078 0.000 0.988 48 T CB 1.256 70.186 68.868 0.103 0.000 1.043 48 T HN 0.137 nan 8.240 nan 0.000 0.461 49 V N 1.728 121.660 119.914 0.030 0.000 2.623 49 V HA 0.449 4.570 4.120 0.001 0.000 0.304 49 V C 0.171 176.038 176.094 -0.379 0.000 1.054 49 V CA -1.181 61.060 62.300 -0.098 0.000 0.882 49 V CB 1.533 33.305 31.823 -0.086 0.000 1.002 49 V HN 1.282 nan 8.190 nan 0.000 0.424 50 C N 6.738 125.773 119.300 -0.441 0.000 2.464 50 C HA 0.475 4.935 4.460 0.001 0.000 0.370 50 C C 1.573 176.339 174.990 -0.374 0.000 1.267 50 C CA -0.272 58.357 59.018 -0.648 0.000 1.781 50 C CB -1.236 26.287 27.740 -0.361 0.000 2.431 50 C HN 0.887 nan 8.230 nan 0.000 0.556 51 I N 4.285 124.614 120.570 -0.401 0.000 3.928 51 I HA 0.550 4.720 4.170 0.001 0.000 0.335 51 I C 0.802 176.768 176.117 -0.251 0.000 1.325 51 I CA 0.366 61.495 61.300 -0.286 0.000 1.107 51 I CB -0.512 37.312 38.000 -0.293 0.000 1.014 51 I HN 0.788 nan 8.210 nan 0.000 0.400 52 G N 1.409 110.061 108.800 -0.248 0.000 2.356 52 G HA2 0.167 4.127 3.960 0.001 0.000 0.300 52 G HA3 0.167 4.127 3.960 0.001 0.000 0.300 52 G C -3.322 171.477 174.900 -0.168 0.000 1.331 52 G CA -0.777 44.214 45.100 -0.183 0.000 0.905 52 G HN -0.094 nan 8.290 nan 0.000 0.587 53 P HA 0.399 nan 4.420 nan 0.000 0.282 53 P C 1.284 178.494 177.300 -0.149 0.000 1.286 53 P CA 0.783 63.809 63.100 -0.123 0.000 0.777 53 P CB 0.531 32.169 31.700 -0.104 0.000 1.184 54 A N 0.084 122.763 122.820 -0.235 0.000 1.873 54 A HA -0.057 4.263 4.320 0.001 0.000 0.218 54 A C -1.110 176.355 177.584 -0.199 0.000 1.193 54 A CA 1.558 53.365 52.037 -0.384 0.000 0.629 54 A CB -2.683 15.596 19.000 -1.201 0.000 0.826 54 A HN 0.537 nan 8.150 nan 0.000 0.447 55 P HA 0.143 nan 4.420 nan 0.000 0.265 55 P C 0.567 177.944 177.300 0.128 0.000 1.193 55 P CA 0.415 63.513 63.100 -0.004 0.000 0.765 55 P CB 0.834 32.530 31.700 -0.007 0.000 0.823 56 S N 1.830 117.707 115.700 0.296 0.000 2.383 56 S HA -0.139 4.331 4.470 0.001 0.000 0.229 56 S C 1.878 176.598 174.600 0.200 0.000 1.030 56 S CA 1.053 59.492 58.200 0.399 0.000 1.002 56 S CB -0.723 62.845 63.200 0.613 0.000 0.829 56 S HN 0.430 nan 8.310 nan 0.000 0.467 57 V N 1.684 121.680 119.914 0.136 0.000 2.568 57 V HA -0.145 3.976 4.120 0.001 0.000 0.253 57 V C 1.725 177.831 176.094 0.019 0.000 1.072 57 V CA 1.602 63.945 62.300 0.071 0.000 1.084 57 V CB -0.323 31.533 31.823 0.055 0.000 0.676 57 V HN 0.318 nan 8.190 nan 0.000 0.469 58 K N -0.037 120.362 120.400 -0.002 0.000 2.379 58 K HA 0.177 4.497 4.320 0.001 0.000 0.194 58 K C 1.717 178.252 176.600 -0.109 0.000 1.031 58 K CA 1.037 57.294 56.287 -0.050 0.000 1.037 58 K CB 0.546 33.012 32.500 -0.056 0.000 0.824 58 K HN 0.735 nan 8.250 nan 0.000 0.516 59 S N -1.050 114.565 115.700 -0.142 0.000 3.600 59 S HA 0.053 4.523 4.470 0.001 0.000 0.179 59 S C 1.671 176.051 174.600 -0.366 0.000 0.816 59 S CA -0.282 57.717 58.200 -0.334 0.000 0.916 59 S CB -0.616 62.261 63.200 -0.538 0.000 1.164 59 S HN 0.040 nan 8.310 nan 0.000 0.709 60 Y N 2.216 122.408 120.300 -0.179 0.000 2.497 60 Y HA 0.362 4.913 4.550 0.001 0.000 0.292 60 Y C 1.766 177.518 175.900 -0.246 0.000 1.137 60 Y CA 0.494 58.370 58.100 -0.373 0.000 1.285 60 Y CB -0.450 37.478 38.460 -0.886 0.000 0.991 60 Y HN 0.234 nan 8.280 nan 0.000 0.556 61 L N -0.515 120.723 121.223 0.025 0.000 2.693 61 L HA 0.146 4.486 4.340 0.001 0.000 0.235 61 L C 0.492 177.328 176.870 -0.056 0.000 1.127 61 L CA -0.138 54.709 54.840 0.012 0.000 0.914 61 L CB 0.027 42.155 42.059 0.115 0.000 1.193 61 L HN -0.027 nan 8.230 nan 0.000 0.502 62 N N 1.466 120.116 118.700 -0.084 0.000 2.555 62 N HA 0.161 4.902 4.740 0.001 0.000 0.244 62 N C 1.009 176.477 175.510 -0.070 0.000 1.114 62 N CA 0.138 53.146 53.050 -0.071 0.000 0.963 62 N CB 0.506 38.941 38.487 -0.087 0.000 1.276 62 N HN 0.175 nan 8.380 nan 0.000 0.510 63 I N 4.043 124.592 120.570 -0.034 0.000 2.127 63 I HA -0.203 3.968 4.170 0.001 0.000 0.241 63 I C -0.676 175.490 176.117 0.083 0.000 1.075 63 I CA 1.082 62.413 61.300 0.052 0.000 1.334 63 I CB -0.982 37.109 38.000 0.153 0.000 1.040 63 I HN 0.400 nan 8.210 nan 0.000 0.405 64 P HA -0.201 nan 4.420 nan 0.000 0.216 64 P C 1.459 178.767 177.300 0.014 0.000 1.153 64 P CA 1.961 65.084 63.100 0.038 0.000 0.858 64 P CB -0.062 31.651 31.700 0.022 0.000 0.789 65 A N -0.918 121.891 122.820 -0.019 0.000 1.902 65 A HA -0.170 4.150 4.320 0.001 0.000 0.217 65 A C 2.199 179.750 177.584 -0.055 0.000 1.181 65 A CA 1.478 53.484 52.037 -0.051 0.000 0.623 65 A CB -1.579 17.365 19.000 -0.092 0.000 0.818 65 A HN 0.123 nan 8.150 nan 0.000 0.443 66 I N -0.122 120.423 120.570 -0.041 0.000 2.252 66 I HA -0.194 3.976 4.170 0.001 0.000 0.245 66 I C 2.147 178.249 176.117 -0.024 0.000 1.102 66 I CA 0.702 61.985 61.300 -0.028 0.000 1.385 66 I CB -0.227 37.774 38.000 0.002 0.000 1.064 66 I HN 0.224 nan 8.210 nan 0.000 0.414 67 I N 0.226 120.809 120.570 0.022 0.000 2.179 67 I HA -0.298 3.873 4.170 0.001 0.000 0.242 67 I C 2.793 178.911 176.117 0.002 0.000 1.088 67 I CA 1.556 62.842 61.300 -0.023 0.000 1.357 67 I CB -1.371 36.675 38.000 0.076 0.000 1.051 67 I HN 0.243 nan 8.210 nan 0.000 0.409 68 S N 0.777 116.490 115.700 0.022 0.000 2.370 68 S HA -0.189 4.281 4.470 0.001 0.000 0.226 68 S C 2.236 176.844 174.600 0.014 0.000 1.033 68 S CA 1.706 59.923 58.200 0.029 0.000 1.011 68 S CB -0.191 63.014 63.200 0.009 0.000 0.852 68 S HN 0.483 nan 8.310 nan 0.000 0.457 69 A N 1.181 123.986 122.820 -0.024 0.000 1.933 69 A HA 0.225 4.546 4.320 0.001 0.000 0.218 69 A C 2.461 180.032 177.584 -0.021 0.000 1.175 69 A CA 1.823 53.840 52.037 -0.033 0.000 0.628 69 A CB -1.322 17.641 19.000 -0.062 0.000 0.814 69 A HN 0.798 nan 8.150 nan 0.000 0.444 70 A N -0.330 122.444 122.820 -0.077 0.000 1.969 70 A HA -0.132 4.189 4.320 0.001 0.000 0.218 70 A C 1.911 179.594 177.584 0.165 0.000 1.169 70 A CA 1.609 53.576 52.037 -0.118 0.000 0.635 70 A CB -0.398 18.211 19.000 -0.651 0.000 0.810 70 A HN 0.649 nan 8.150 nan 0.000 0.445 71 E N -0.078 120.261 120.200 0.233 0.000 2.028 71 E HA -0.130 4.220 4.350 0.001 0.000 0.190 71 E C 2.024 178.708 176.600 0.139 0.000 0.984 71 E CA 1.343 57.913 56.400 0.283 0.000 0.800 71 E CB -0.401 29.437 29.700 0.230 0.000 0.758 71 E HN 0.861 nan 8.360 nan 0.000 0.448 72 I N 0.058 120.679 120.570 0.084 0.000 2.286 72 I HA -0.184 3.986 4.170 0.001 0.000 0.248 72 I C 2.422 178.568 176.117 0.047 0.000 1.115 72 I CA 1.727 63.057 61.300 0.050 0.000 1.392 72 I CB -0.831 37.184 38.000 0.026 0.000 1.065 72 I HN 0.004 nan 8.210 nan 0.000 0.418 73 T N -1.657 112.929 114.554 0.054 0.000 3.113 73 T HA 0.334 4.685 4.350 0.001 0.000 0.256 73 T C 1.591 176.329 174.700 0.063 0.000 1.131 73 T CA 0.362 62.490 62.100 0.047 0.000 1.074 73 T CB -0.231 68.659 68.868 0.037 0.000 0.944 73 T HN 0.845 nan 8.240 nan 0.000 0.516 74 G N 1.368 110.223 108.800 0.092 0.000 2.198 74 G HA2 -0.001 3.959 3.960 0.001 0.000 0.257 74 G HA3 -0.001 3.959 3.960 0.001 0.000 0.257 74 G C 0.248 175.220 174.900 0.120 0.000 1.042 74 G CA -0.064 45.091 45.100 0.093 0.000 0.791 74 G HN 1.137 nan 8.290 nan 0.000 0.502 75 A N -0.967 121.961 122.820 0.181 0.000 2.346 75 A HA 0.763 5.083 4.320 0.001 0.000 0.252 75 A C 1.666 179.433 177.584 0.305 0.000 1.089 75 A CA 0.682 52.834 52.037 0.191 0.000 0.797 75 A CB 0.891 19.970 19.000 0.131 0.000 1.047 75 A HN 1.613 nan 8.150 nan 0.000 0.494 76 V N -3.086 116.965 119.914 0.229 0.000 3.604 76 V HA 0.637 4.757 4.120 0.001 0.000 0.277 76 V C 0.567 176.831 176.094 0.283 0.000 1.399 76 V CA 0.785 63.217 62.300 0.221 0.000 1.034 76 V CB -0.917 30.955 31.823 0.083 0.000 0.824 76 V HN 1.627 nan 8.190 nan 0.000 0.439 77 A N 0.138 123.085 122.820 0.212 0.000 2.587 77 A HA 0.892 5.212 4.320 0.001 0.000 0.293 77 A C -1.307 176.287 177.584 0.017 0.000 1.087 77 A CA -0.656 51.449 52.037 0.113 0.000 0.692 77 A CB 1.821 20.845 19.000 0.041 0.000 1.291 77 A HN 0.294 nan 8.150 nan 0.000 0.407 78 I N 1.659 122.206 120.570 -0.038 0.000 2.478 78 I HA 0.292 4.463 4.170 0.001 0.000 0.287 78 I C -0.917 175.136 176.117 -0.107 0.000 1.042 78 I CA -0.492 60.778 61.300 -0.050 0.000 1.067 78 I CB 1.940 39.919 38.000 -0.035 0.000 1.233 78 I HN 0.711 nan 8.210 nan 0.000 0.431 79 H N 8.517 127.510 119.070 -0.129 0.000 2.594 79 H HA 0.328 4.885 4.556 0.001 0.000 0.304 79 H C -2.017 173.238 175.328 -0.121 0.000 1.068 79 H CA -2.182 53.756 56.048 -0.183 0.000 1.308 79 H CB 1.976 31.646 29.762 -0.153 0.000 1.409 79 H HN 0.331 nan 8.280 nan 0.000 0.460 80 P HA 0.079 nan 4.420 nan 0.000 0.245 80 P C 0.860 178.244 177.300 0.140 0.000 1.206 80 P CA 1.016 64.220 63.100 0.174 0.000 0.781 80 P CB 0.839 32.695 31.700 0.260 0.000 0.994 81 G N 0.960 109.898 108.800 0.230 0.000 2.550 81 G HA2 -0.252 3.709 3.960 0.001 0.000 0.277 81 G HA3 -0.252 3.709 3.960 0.001 0.000 0.277 81 G C -0.563 174.378 174.900 0.067 0.000 1.190 81 G CA 0.473 45.557 45.100 -0.027 0.000 0.971 81 G HN 0.454 nan 8.290 nan 0.000 0.559 82 Y N -1.020 119.330 120.300 0.084 0.000 2.598 82 Y HA 0.712 5.262 4.550 0.001 0.000 0.340 82 Y C 0.987 176.929 175.900 0.069 0.000 1.038 82 Y CA -0.511 57.635 58.100 0.077 0.000 1.100 82 Y CB 0.854 39.342 38.460 0.048 0.000 1.281 82 Y HN 2.595 nan 8.280 nan 0.000 0.488 83 G N 1.292 110.280 108.800 0.313 0.000 2.601 83 G HA2 -0.245 3.715 3.960 0.001 0.000 0.252 83 G HA3 -0.245 3.715 3.960 0.001 0.000 0.252 83 G C 0.103 175.062 174.900 0.099 0.000 1.294 83 G CA 0.481 45.629 45.100 0.081 0.000 0.912 83 G HN 1.328 nan 8.290 nan 0.000 0.574 84 F N -2.005 117.982 119.950 0.061 0.000 2.784 84 F HA -0.323 4.204 4.527 0.001 0.000 0.231 84 F C 2.271 178.079 175.800 0.014 0.000 1.467 84 F CA 2.432 60.444 58.000 0.020 0.000 1.913 84 F CB -1.209 37.771 39.000 -0.033 0.000 0.488 84 F HN 0.452 nan 8.300 nan 0.000 0.282 85 L N 0.343 121.690 121.223 0.207 0.000 2.728 85 L HA 0.139 4.479 4.340 0.001 0.000 0.238 85 L C 1.851 178.890 176.870 0.280 0.000 1.143 85 L CA 0.605 55.490 54.840 0.076 0.000 0.937 85 L CB -0.158 41.653 42.059 -0.414 0.000 1.225 85 L HN 0.518 nan 8.230 nan 0.000 0.507 86 S N -0.553 115.321 115.700 0.291 0.000 2.399 86 S HA -0.148 4.322 4.470 0.001 0.000 0.231 86 S C 1.328 176.135 174.600 0.344 0.000 1.022 86 S CA 0.959 59.370 58.200 0.351 0.000 0.983 86 S CB -0.104 63.248 63.200 0.254 0.000 0.803 86 S HN 0.529 nan 8.310 nan 0.000 0.480 87 E N 1.014 121.358 120.200 0.240 0.000 2.558 87 E HA 0.214 4.565 4.350 0.001 0.000 0.205 87 E C -0.493 176.195 176.600 0.146 0.000 1.006 87 E CA -0.326 56.182 56.400 0.181 0.000 0.961 87 E CB 0.167 29.946 29.700 0.132 0.000 1.044 87 E HN 0.350 nan 8.360 nan 0.000 0.465 88 N N 1.282 120.088 118.700 0.177 0.000 2.439 88 N HA 0.098 4.838 4.740 0.001 0.000 0.243 88 N C 0.573 176.141 175.510 0.096 0.000 1.088 88 N CA 0.051 53.188 53.050 0.144 0.000 0.940 88 N CB 1.242 39.830 38.487 0.167 0.000 1.180 88 N HN 0.084 nan 8.380 nan 0.000 0.505 89 A N 4.442 127.284 122.820 0.036 0.000 1.933 89 A HA -0.157 4.163 4.320 0.001 0.000 0.218 89 A C 1.837 179.381 177.584 -0.067 0.000 1.175 89 A CA 1.097 53.108 52.037 -0.042 0.000 0.628 89 A CB -0.191 18.797 19.000 -0.019 0.000 0.814 89 A HN 0.656 nan 8.150 nan 0.000 0.444 90 N N -0.951 117.752 118.700 0.004 0.000 2.166 90 N HA -0.121 4.620 4.740 0.001 0.000 0.186 90 N C 1.371 176.899 175.510 0.030 0.000 1.019 90 N CA 1.369 54.427 53.050 0.013 0.000 0.856 90 N CB -0.600 37.916 38.487 0.048 0.000 0.993 90 N HN 0.633 nan 8.380 nan 0.000 0.426 91 F N 1.378 121.274 119.950 -0.090 0.000 2.084 91 F HA -0.118 4.409 4.527 0.001 0.000 0.296 91 F C 2.182 177.837 175.800 -0.242 0.000 1.111 91 F CA 1.343 59.286 58.000 -0.094 0.000 1.224 91 F CB -0.156 38.834 39.000 -0.015 0.000 0.991 91 F HN 0.038 nan 8.300 nan 0.000 0.471 92 A N 0.033 122.461 122.820 -0.653 0.000 1.908 92 A HA -0.294 4.026 4.320 0.001 0.000 0.218 92 A C 2.171 179.358 177.584 -0.661 0.000 1.181 92 A CA 2.043 53.313 52.037 -1.278 0.000 0.627 92 A CB -1.124 17.037 19.000 -1.399 0.000 0.818 92 A HN 0.619 nan 8.150 nan 0.000 0.445 93 E N -1.051 118.924 120.200 -0.374 0.000 2.051 93 E HA -0.296 4.054 4.350 0.001 0.000 0.192 93 E C 2.226 178.725 176.600 -0.168 0.000 0.991 93 E CA 1.548 57.821 56.400 -0.211 0.000 0.799 93 E CB -0.133 29.491 29.700 -0.127 0.000 0.748 93 E HN 0.596 nan 8.360 nan 0.000 0.449 94 Q N 0.364 120.067 119.800 -0.163 0.000 2.084 94 Q HA -0.122 4.219 4.340 0.001 0.000 0.202 94 Q C 2.073 178.013 176.000 -0.099 0.000 0.978 94 Q CA 1.588 57.335 55.803 -0.092 0.000 0.844 94 Q CB -0.322 28.401 28.738 -0.025 0.000 0.898 94 Q HN 0.216 nan 8.270 nan 0.000 0.426 95 V N 1.023 120.781 119.914 -0.260 0.000 2.282 95 V HA -0.289 3.831 4.120 0.001 0.000 0.249 95 V C 2.167 178.294 176.094 0.055 0.000 1.057 95 V CA 2.390 64.602 62.300 -0.146 0.000 1.032 95 V CB -0.575 31.057 31.823 -0.317 0.000 0.645 95 V HN 0.466 nan 8.190 nan 0.000 0.447 96 E N -0.412 119.762 120.200 -0.043 0.000 2.106 96 E HA -0.176 4.174 4.350 0.001 0.000 0.192 96 E C 2.465 179.055 176.600 -0.017 0.000 0.984 96 E CA 0.871 57.264 56.400 -0.012 0.000 0.806 96 E CB -0.166 29.503 29.700 -0.051 0.000 0.750 96 E HN 0.536 nan 8.360 nan 0.000 0.458 97 R N 0.453 120.936 120.500 -0.028 0.000 2.115 97 R HA -0.015 4.326 4.340 0.001 0.000 0.230 97 R C 2.178 178.471 176.300 -0.011 0.000 1.111 97 R CA 0.973 57.059 56.100 -0.023 0.000 0.976 97 R CB -0.028 30.258 30.300 -0.023 0.000 0.870 97 R HN -0.039 nan 8.270 nan 0.000 0.445 98 S N -0.640 115.082 115.700 0.036 0.000 2.607 98 S HA 0.072 4.542 4.470 0.001 0.000 0.224 98 S C 1.134 175.643 174.600 -0.152 0.000 0.969 98 S CA 0.758 58.989 58.200 0.051 0.000 0.927 98 S CB 0.691 64.055 63.200 0.273 0.000 0.772 98 S HN 0.682 nan 8.310 nan 0.000 0.533 99 G N 0.649 109.364 108.800 -0.142 0.000 2.141 99 G HA2 -0.234 3.727 3.960 0.001 0.000 0.231 99 G HA3 -0.234 3.727 3.960 0.001 0.000 0.231 99 G C -0.062 174.636 174.900 -0.337 0.000 0.984 99 G CA -0.402 44.544 45.100 -0.256 0.000 0.660 99 G HN 0.427 nan 8.290 nan 0.000 0.525 100 F N 0.193 120.126 119.950 -0.028 0.000 2.403 100 F HA 0.693 5.220 4.527 0.001 0.000 0.326 100 F C 1.206 176.997 175.800 -0.015 0.000 1.081 100 F CA -1.168 56.820 58.000 -0.020 0.000 1.041 100 F CB 0.871 39.861 39.000 -0.018 0.000 1.234 100 F HN -0.062 nan 8.300 nan 0.000 0.503 101 I N 2.300 122.987 120.570 0.196 0.000 2.416 101 I HA 0.065 4.235 4.170 0.001 0.000 0.288 101 I C -0.559 175.628 176.117 0.117 0.000 1.051 101 I CA -0.166 61.199 61.300 0.108 0.000 1.375 101 I CB 0.521 38.549 38.000 0.047 0.000 1.407 101 I HN 0.418 nan 8.210 nan 0.000 0.516 102 F N 7.625 127.537 119.950 -0.064 0.000 2.411 102 F HA 0.442 4.969 4.527 0.001 0.000 0.355 102 F C 0.249 175.971 175.800 -0.130 0.000 1.117 102 F CA -0.578 57.352 58.000 -0.117 0.000 1.139 102 F CB 0.614 39.522 39.000 -0.154 0.000 1.120 102 F HN 0.266 nan 8.300 nan 0.000 0.493 103 I N 7.309 127.456 120.570 -0.705 0.000 2.278 103 I HA 0.404 4.574 4.170 0.001 0.000 0.300 103 I C 0.604 176.224 176.117 -0.829 0.000 1.174 103 I CA 0.406 61.311 61.300 -0.659 0.000 1.347 103 I CB -0.882 36.703 38.000 -0.691 0.000 1.473 103 I HN 0.802 nan 8.210 nan 0.000 0.595 104 G N 6.317 114.849 108.800 -0.447 0.000 2.323 104 G HA2 0.268 4.228 3.960 0.001 0.000 0.291 104 G HA3 0.268 4.228 3.960 0.001 0.000 0.291 104 G C -3.319 171.575 174.900 -0.010 0.000 1.278 104 G CA -0.753 44.229 45.100 -0.197 0.000 0.860 104 G HN 0.144 nan 8.290 nan 0.000 0.504 105 P HA 0.338 nan 4.420 nan 0.000 0.277 105 P C -0.447 176.839 177.300 -0.023 0.000 1.271 105 P CA -0.519 62.473 63.100 -0.182 0.000 0.795 105 P CB 0.502 32.027 31.700 -0.291 0.000 1.101 106 K N 0.173 120.524 120.400 -0.083 0.000 2.414 106 K HA 0.139 4.459 4.320 0.001 0.000 0.272 106 K C 1.469 178.023 176.600 -0.076 0.000 0.993 106 K CA 0.180 56.429 56.287 -0.063 0.000 0.964 106 K CB 0.123 32.590 32.500 -0.055 0.000 0.925 106 K HN 0.460 nan 8.250 nan 0.000 0.487 107 A N 3.260 126.009 122.820 -0.118 0.000 1.940 107 A HA -0.189 4.131 4.320 0.001 0.000 0.219 107 A C 1.675 179.221 177.584 -0.064 0.000 1.176 107 A CA 1.481 53.438 52.037 -0.134 0.000 0.631 107 A CB -0.171 18.734 19.000 -0.158 0.000 0.814 107 A HN 0.740 nan 8.150 nan 0.000 0.446 108 E N -0.584 119.591 120.200 -0.043 0.000 2.208 108 E HA -0.089 4.261 4.350 0.001 0.000 0.193 108 E C 2.006 178.609 176.600 0.006 0.000 0.988 108 E CA 1.450 57.840 56.400 -0.017 0.000 0.828 108 E CB -0.500 29.191 29.700 -0.014 0.000 0.763 108 E HN 0.650 nan 8.360 nan 0.000 0.478 109 T N 1.587 116.148 114.554 0.011 0.000 2.812 109 T HA -0.031 4.320 4.350 0.001 0.000 0.264 109 T C 2.140 176.885 174.700 0.075 0.000 1.042 109 T CA 0.597 62.730 62.100 0.056 0.000 1.140 109 T CB -0.107 68.797 68.868 0.061 0.000 0.870 109 T HN 0.104 nan 8.240 nan 0.000 0.445 110 I N 1.863 122.462 120.570 0.049 0.000 2.163 110 I HA -0.248 3.922 4.170 0.001 0.000 0.243 110 I C 2.779 178.925 176.117 0.048 0.000 1.085 110 I CA 1.518 62.855 61.300 0.062 0.000 1.347 110 I CB -0.388 37.635 38.000 0.038 0.000 1.044 110 I HN 0.301 nan 8.210 nan 0.000 0.408 111 R N 0.809 121.324 120.500 0.026 0.000 2.148 111 R HA -0.098 4.243 4.340 0.001 0.000 0.223 111 R C 2.253 178.567 176.300 0.025 0.000 1.088 111 R CA 0.818 56.932 56.100 0.023 0.000 0.985 111 R CB -0.748 29.559 30.300 0.013 0.000 0.880 111 R HN 0.243 nan 8.270 nan 0.000 0.451 112 L N 0.865 122.105 121.223 0.029 0.000 2.017 112 L HA -0.043 4.297 4.340 0.001 0.000 0.208 112 L C 1.936 178.827 176.870 0.035 0.000 1.073 112 L CA 1.828 56.685 54.840 0.029 0.000 0.745 112 L CB -0.195 41.885 42.059 0.034 0.000 0.894 112 L HN 0.156 nan 8.230 nan 0.000 0.432 113 M N -0.905 118.727 119.600 0.052 0.000 2.514 113 M HA 0.180 4.661 4.480 0.001 0.000 0.258 113 M C 2.122 178.451 176.300 0.048 0.000 1.119 113 M CA 0.929 56.264 55.300 0.059 0.000 1.111 113 M CB -1.735 30.900 32.600 0.058 0.000 1.390 113 M HN 0.385 nan 8.290 nan 0.000 0.475 114 G N 0.228 109.052 108.800 0.040 0.000 2.403 114 G HA2 -0.152 3.808 3.960 0.001 0.000 0.216 114 G HA3 -0.152 3.808 3.960 0.001 0.000 0.216 114 G C 0.241 175.147 174.900 0.009 0.000 1.154 114 G CA 0.157 45.273 45.100 0.028 0.000 0.784 114 G HN 0.439 nan 8.290 nan 0.000 0.538 115 D N -0.366 120.040 120.400 0.010 0.000 2.325 115 D HA 0.255 4.895 4.640 0.001 0.000 0.251 115 D C 1.471 177.762 176.300 -0.016 0.000 1.196 115 D CA -0.135 53.863 54.000 -0.002 0.000 0.866 115 D CB 0.912 41.713 40.800 0.001 0.000 1.101 115 D HN 0.071 nan 8.370 nan 0.000 0.476 116 K N 2.162 122.545 120.400 -0.029 0.000 2.097 116 K HA -0.084 4.236 4.320 0.001 0.000 0.205 116 K C 1.741 178.201 176.600 -0.234 0.000 1.050 116 K CA 0.693 56.935 56.287 -0.076 0.000 0.938 116 K CB 0.123 32.629 32.500 0.010 0.000 0.718 116 K HN 0.322 nan 8.250 nan 0.000 0.442 117 V N 1.512 121.263 119.914 -0.272 0.000 2.261 117 V HA -0.271 3.850 4.120 0.001 0.000 0.246 117 V C 2.452 178.460 176.094 -0.142 0.000 1.047 117 V CA 2.274 64.393 62.300 -0.302 0.000 1.015 117 V CB -0.522 31.198 31.823 -0.172 0.000 0.642 117 V HN 0.443 nan 8.190 nan 0.000 0.446 118 S N 1.002 116.658 115.700 -0.073 0.000 2.382 118 S HA -0.141 4.330 4.470 0.001 0.000 0.228 118 S C 2.098 176.684 174.600 -0.023 0.000 1.027 118 S CA 1.325 59.504 58.200 -0.037 0.000 0.991 118 S CB -0.564 62.627 63.200 -0.016 0.000 0.823 118 S HN 0.566 nan 8.310 nan 0.000 0.469 119 A N 2.177 124.995 122.820 -0.002 0.000 1.877 119 A HA 0.060 4.380 4.320 0.001 0.000 0.216 119 A C 2.244 179.852 177.584 0.040 0.000 1.186 119 A CA 1.558 53.626 52.037 0.051 0.000 0.620 119 A CB -0.904 18.181 19.000 0.142 0.000 0.822 119 A HN 0.568 nan 8.150 nan 0.000 0.443 120 I N -0.222 120.394 120.570 0.076 0.000 2.226 120 I HA -0.284 3.886 4.170 0.001 0.000 0.245 120 I C 2.971 179.072 176.117 -0.027 0.000 1.100 120 I CA 1.041 62.387 61.300 0.077 0.000 1.374 120 I CB -0.324 37.695 38.000 0.032 0.000 1.057 120 I HN 0.362 nan 8.210 nan 0.000 0.413 121 A N 0.720 123.515 122.820 -0.042 0.000 1.908 121 A HA -0.205 4.116 4.320 0.001 0.000 0.218 121 A C 2.534 180.088 177.584 -0.050 0.000 1.181 121 A CA 2.002 54.015 52.037 -0.039 0.000 0.627 121 A CB -0.887 18.092 19.000 -0.035 0.000 0.818 121 A HN 0.441 nan 8.150 nan 0.000 0.445 122 A N -1.129 121.655 122.820 -0.059 0.000 1.930 122 A HA -0.081 4.239 4.320 0.001 0.000 0.217 122 A C 2.166 179.682 177.584 -0.114 0.000 1.175 122 A CA 1.903 53.901 52.037 -0.066 0.000 0.627 122 A CB -0.422 18.551 19.000 -0.045 0.000 0.815 122 A HN 0.436 nan 8.150 nan 0.000 0.443 123 M N -0.554 118.926 119.600 -0.200 0.000 2.156 123 M HA -0.039 4.442 4.480 0.001 0.000 0.264 123 M C 2.072 178.262 176.300 -0.183 0.000 1.067 123 M CA 1.578 56.691 55.300 -0.312 0.000 1.131 123 M CB -1.117 31.034 32.600 -0.749 0.000 1.368 123 M HN 0.502 nan 8.290 nan 0.000 0.416 124 K N 0.661 120.997 120.400 -0.107 0.000 2.057 124 K HA -0.201 4.119 4.320 0.001 0.000 0.207 124 K C 2.138 178.710 176.600 -0.046 0.000 1.049 124 K CA 1.467 57.729 56.287 -0.043 0.000 0.931 124 K CB -0.028 32.468 32.500 -0.006 0.000 0.714 124 K HN 0.159 nan 8.250 nan 0.000 0.440 125 K N 0.003 120.372 120.400 -0.051 0.000 2.063 125 K HA -0.139 4.181 4.320 0.001 0.000 0.208 125 K C 1.799 178.366 176.600 -0.055 0.000 1.048 125 K CA 1.412 57.673 56.287 -0.043 0.000 0.928 125 K CB -0.147 32.330 32.500 -0.038 0.000 0.713 125 K HN 0.219 nan 8.250 nan 0.000 0.442 126 A N -0.243 122.530 122.820 -0.078 0.000 2.119 126 A HA 0.110 4.430 4.320 0.001 0.000 0.217 126 A C 1.402 178.922 177.584 -0.106 0.000 1.153 126 A CA 1.255 53.237 52.037 -0.091 0.000 0.692 126 A CB -0.287 18.647 19.000 -0.111 0.000 0.799 126 A HN 0.598 nan 8.150 nan 0.000 0.458 127 G N -2.163 106.578 108.800 -0.099 0.000 2.148 127 G HA2 -0.137 3.823 3.960 0.001 0.000 0.203 127 G HA3 -0.137 3.823 3.960 0.001 0.000 0.203 127 G C 0.026 174.858 174.900 -0.115 0.000 0.993 127 G CA -0.059 44.982 45.100 -0.098 0.000 0.661 127 G HN 0.735 nan 8.290 nan 0.000 0.518 128 V N 3.101 122.943 119.914 -0.120 0.000 2.461 128 V HA 0.421 4.541 4.120 0.001 0.000 0.275 128 V C -1.246 174.875 176.094 0.046 0.000 1.047 128 V CA -1.337 60.915 62.300 -0.079 0.000 0.955 128 V CB 1.261 32.977 31.823 -0.179 0.000 0.988 128 V HN 0.250 nan 8.190 nan 0.000 0.471 129 P HA 0.190 nan 4.420 nan 0.000 0.271 129 P C -0.596 176.905 177.300 0.335 0.000 1.220 129 P CA -0.042 63.179 63.100 0.201 0.000 0.768 129 P CB 0.610 32.414 31.700 0.174 0.000 0.848 130 C N 2.465 121.948 119.300 0.306 0.000 2.630 130 C HA 0.419 4.879 4.460 0.001 0.000 0.346 130 C C 0.462 175.706 174.990 0.424 0.000 1.245 130 C CA -0.691 58.556 59.018 0.381 0.000 1.804 130 C CB 1.866 29.775 27.740 0.281 0.000 2.279 130 C HN 0.364 nan 8.230 nan 0.000 0.498 131 V N 2.972 123.107 119.914 0.370 0.000 2.585 131 V HA 0.130 4.251 4.120 0.001 0.000 0.296 131 V C -2.034 174.160 176.094 0.168 0.000 1.035 131 V CA -0.591 61.848 62.300 0.233 0.000 1.084 131 V CB -0.188 31.698 31.823 0.106 0.000 0.953 131 V HN 0.761 nan 8.190 nan 0.000 0.483 132 P HA 0.279 nan 4.420 nan 0.000 0.261 132 P C 0.363 177.702 177.300 0.065 0.000 1.183 132 P CA 0.844 63.995 63.100 0.086 0.000 0.761 132 P CB 0.393 32.124 31.700 0.051 0.000 0.785 133 G N 0.832 109.676 108.800 0.074 0.000 2.650 133 G HA2 0.323 4.283 3.960 0.001 0.000 0.310 133 G HA3 0.323 4.283 3.960 0.001 0.000 0.310 133 G C 0.755 175.696 174.900 0.070 0.000 1.270 133 G CA 0.023 45.172 45.100 0.080 0.000 0.810 133 G HN 0.294 nan 8.290 nan 0.000 0.493 134 S N -0.521 115.233 115.700 0.090 0.000 2.423 134 S HA 0.032 4.502 4.470 0.001 0.000 0.231 134 S C 0.570 175.205 174.600 0.058 0.000 1.014 134 S CA 1.477 59.721 58.200 0.072 0.000 0.965 134 S CB -0.202 63.056 63.200 0.096 0.000 0.785 134 S HN 0.709 nan 8.310 nan 0.000 0.495 135 D N 1.684 122.119 120.400 0.058 0.000 2.699 135 D HA -0.028 4.612 4.640 0.001 0.000 0.239 135 D C 0.366 176.675 176.300 0.016 0.000 1.136 135 D CA 1.379 55.396 54.000 0.028 0.000 0.668 135 D CB -1.686 39.131 40.800 0.028 0.000 1.060 135 D HN 0.940 nan 8.370 nan 0.000 0.429 136 G N -0.719 108.090 108.800 0.016 0.000 2.361 136 G HA2 0.284 4.245 3.960 0.001 0.000 0.305 136 G HA3 0.284 4.245 3.960 0.001 0.000 0.305 136 G C -3.175 171.760 174.900 0.059 0.000 1.367 136 G CA -0.835 44.275 45.100 0.018 0.000 0.951 136 G HN -0.006 nan 8.290 nan 0.000 0.615 137 P HA 0.401 nan 4.420 nan 0.000 0.272 137 P C -0.068 177.278 177.300 0.077 0.000 1.223 137 P CA -0.180 62.973 63.100 0.089 0.000 0.784 137 P CB 0.832 32.570 31.700 0.064 0.000 0.923 138 L N 1.581 122.854 121.223 0.082 0.000 2.305 138 L HA 0.432 4.773 4.340 0.001 0.000 0.281 138 L C 1.536 178.432 176.870 0.043 0.000 1.085 138 L CA -0.247 54.628 54.840 0.057 0.000 0.813 138 L CB 0.647 42.736 42.059 0.050 0.000 1.157 138 L HN 0.486 nan 8.230 nan 0.000 0.436 139 G N 0.833 109.654 108.800 0.034 0.000 2.509 139 G HA2 0.129 4.089 3.960 0.001 0.000 0.269 139 G HA3 0.129 4.089 3.960 0.001 0.000 0.269 139 G C 0.067 174.982 174.900 0.025 0.000 1.416 139 G CA -0.309 44.809 45.100 0.028 0.000 1.052 139 G HN 0.652 nan 8.290 nan 0.000 0.542 140 D N -1.011 119.402 120.400 0.021 0.000 2.349 140 D HA 0.073 4.714 4.640 0.001 0.000 0.214 140 D C -0.057 176.254 176.300 0.018 0.000 1.063 140 D CA 0.052 54.063 54.000 0.019 0.000 0.847 140 D CB 0.384 41.194 40.800 0.017 0.000 0.933 140 D HN 0.300 nan 8.370 nan 0.000 0.513 141 D N 0.588 120.999 120.400 0.018 0.000 2.371 141 D HA 0.006 4.646 4.640 0.001 0.000 0.256 141 D C 1.512 177.823 176.300 0.019 0.000 1.193 141 D CA -0.019 53.991 54.000 0.017 0.000 0.881 141 D CB 0.714 41.523 40.800 0.017 0.000 1.143 141 D HN -0.278 nan 8.370 nan 0.000 0.473 142 M N 2.298 121.909 119.600 0.018 0.000 2.132 142 M HA -0.087 4.394 4.480 0.001 0.000 0.263 142 M C 1.083 177.397 176.300 0.023 0.000 1.065 142 M CA 1.302 56.615 55.300 0.021 0.000 1.122 142 M CB -0.602 32.010 32.600 0.019 0.000 1.365 142 M HN 0.441 nan 8.290 nan 0.000 0.411 143 D N 0.338 120.750 120.400 0.020 0.000 2.117 143 D HA -0.097 4.544 4.640 0.001 0.000 0.198 143 D C 2.062 178.374 176.300 0.020 0.000 0.982 143 D CA 1.108 55.121 54.000 0.021 0.000 0.828 143 D CB -0.095 40.715 40.800 0.017 0.000 0.967 143 D HN 0.310 nan 8.370 nan 0.000 0.464 144 K N 0.193 120.604 120.400 0.018 0.000 2.026 144 K HA -0.059 4.261 4.320 0.001 0.000 0.208 144 K C 1.700 178.309 176.600 0.016 0.000 1.048 144 K CA 0.856 57.153 56.287 0.016 0.000 0.929 144 K CB -0.023 32.487 32.500 0.017 0.000 0.713 144 K HN 0.048 nan 8.250 nan 0.000 0.439 145 N N 0.775 119.487 118.700 0.019 0.000 2.223 145 N HA -0.149 4.591 4.740 0.001 0.000 0.185 145 N C 1.664 177.183 175.510 0.016 0.000 1.016 145 N CA 0.993 54.054 53.050 0.019 0.000 0.863 145 N CB -0.097 38.404 38.487 0.024 0.000 0.983 145 N HN 0.174 nan 8.380 nan 0.000 0.429 146 R N 0.414 120.931 120.500 0.027 0.000 2.119 146 R HA 0.123 4.463 4.340 0.001 0.000 0.222 146 R C 1.867 178.179 176.300 0.019 0.000 1.088 146 R CA 0.893 57.018 56.100 0.041 0.000 0.984 146 R CB -0.007 30.326 30.300 0.054 0.000 0.884 146 R HN 0.153 nan 8.270 nan 0.000 0.447 147 A N 0.728 123.554 122.820 0.011 0.000 1.968 147 A HA -0.071 4.250 4.320 0.001 0.000 0.217 147 A C 1.999 179.573 177.584 -0.018 0.000 1.169 147 A CA 0.888 52.927 52.037 0.002 0.000 0.638 147 A CB -0.300 18.704 19.000 0.008 0.000 0.812 147 A HN 0.266 nan 8.150 nan 0.000 0.446 148 I N -0.106 120.451 120.570 -0.022 0.000 2.226 148 I HA -0.269 3.901 4.170 0.001 0.000 0.245 148 I C 2.927 178.990 176.117 -0.090 0.000 1.100 148 I CA 1.114 62.393 61.300 -0.035 0.000 1.374 148 I CB -0.314 37.677 38.000 -0.015 0.000 1.057 148 I HN 0.331 nan 8.210 nan 0.000 0.413 149 A N 0.652 123.386 122.820 -0.143 0.000 1.972 149 A HA -0.202 4.119 4.320 0.001 0.000 0.219 149 A C 2.309 179.670 177.584 -0.372 0.000 1.169 149 A CA 1.562 53.387 52.037 -0.353 0.000 0.635 149 A CB -0.385 18.340 19.000 -0.459 0.000 0.810 149 A HN 0.338 nan 8.150 nan 0.000 0.446 150 K N -0.945 119.358 120.400 -0.161 0.000 2.103 150 K HA -0.060 4.261 4.320 0.001 0.000 0.204 150 K C 2.368 178.935 176.600 -0.054 0.000 1.052 150 K CA 1.117 57.363 56.287 -0.067 0.000 0.945 150 K CB -0.129 32.375 32.500 0.005 0.000 0.722 150 K HN 0.446 nan 8.250 nan 0.000 0.443 151 R N 1.236 121.705 120.500 -0.050 0.000 2.075 151 R HA -0.077 4.264 4.340 0.001 0.000 0.232 151 R C 2.146 178.423 176.300 -0.038 0.000 1.126 151 R CA 1.218 57.300 56.100 -0.029 0.000 0.963 151 R CB -0.167 30.122 30.300 -0.017 0.000 0.858 151 R HN 0.117 nan 8.270 nan 0.000 0.435 152 I N 0.030 120.558 120.570 -0.070 0.000 2.202 152 I HA -0.053 4.117 4.170 0.001 0.000 0.242 152 I C 0.849 176.919 176.117 -0.078 0.000 1.091 152 I CA 1.186 62.442 61.300 -0.072 0.000 1.368 152 I CB -0.287 37.653 38.000 -0.100 0.000 1.058 152 I HN 0.513 nan 8.210 nan 0.000 0.410 153 G N -0.084 108.638 108.800 -0.130 0.000 3.190 153 G HA2 -0.209 3.751 3.960 0.001 0.000 0.686 153 G HA3 -0.209 3.751 3.960 0.001 0.000 0.686 153 G C -0.685 174.161 174.900 -0.090 0.000 1.033 153 G CA -0.964 44.090 45.100 -0.077 0.000 0.797 153 G HN 0.049 nan 8.290 nan 0.000 0.567 154 Y N 2.534 122.844 120.300 0.017 0.000 2.457 154 Y HA 0.420 4.970 4.550 0.001 0.000 0.341 154 Y C -0.438 175.480 175.900 0.031 0.000 1.240 154 Y CA -0.272 57.841 58.100 0.021 0.000 1.437 154 Y CB 0.414 38.880 38.460 0.010 0.000 1.328 154 Y HN 0.581 nan 8.280 nan 0.000 0.588 155 P HA 0.323 nan 4.420 nan 0.000 0.281 155 P C -1.073 176.348 177.300 0.201 0.000 1.249 155 P CA -0.391 62.888 63.100 0.299 0.000 0.810 155 P CB 1.437 33.275 31.700 0.230 0.000 1.008 156 V N -0.317 119.696 119.914 0.166 0.000 3.103 156 V HA 0.701 4.821 4.120 0.001 0.000 0.318 156 V C -0.346 175.780 176.094 0.052 0.000 1.114 156 V CA -1.133 61.203 62.300 0.060 0.000 1.020 156 V CB 1.949 33.720 31.823 -0.086 0.000 1.085 156 V HN 0.561 nan 8.190 nan 0.000 0.446 157 I N 1.573 122.167 120.570 0.040 0.000 2.582 157 I HA 0.551 4.721 4.170 0.001 0.000 0.292 157 I C -1.266 174.805 176.117 -0.078 0.000 1.066 157 I CA -0.906 60.384 61.300 -0.017 0.000 1.053 157 I CB 1.766 39.819 38.000 0.089 0.000 1.241 157 I HN 0.573 nan 8.210 nan 0.000 0.421 158 I N 7.112 127.616 120.570 -0.110 0.000 2.315 158 I HA 0.402 4.573 4.170 0.001 0.000 0.291 158 I C -0.202 175.769 176.117 -0.243 0.000 1.006 158 I CA -0.450 60.752 61.300 -0.162 0.000 1.265 158 I CB 0.856 38.799 38.000 -0.096 0.000 1.387 158 I HN 0.524 nan 8.210 nan 0.000 0.475 159 K N 3.977 124.092 120.400 -0.475 0.000 2.316 159 K HA 0.729 5.050 4.320 0.001 0.000 0.251 159 K C -0.483 175.846 176.600 -0.453 0.000 0.934 159 K CA -0.735 55.224 56.287 -0.547 0.000 0.802 159 K CB 2.728 34.720 32.500 -0.845 0.000 1.171 159 K HN 0.707 nan 8.250 nan 0.000 0.426 160 A N 1.298 123.992 122.820 -0.210 0.000 2.409 160 A HA 0.098 4.419 4.320 0.001 0.000 0.262 160 A C 1.153 178.737 177.584 0.000 0.000 1.113 160 A CA -0.060 51.924 52.037 -0.088 0.000 0.790 160 A CB 0.929 19.875 19.000 -0.090 0.000 1.046 160 A HN 0.789 nan 8.150 nan 0.000 0.496 161 S N 2.275 118.048 115.700 0.122 0.000 2.371 161 S HA -0.036 4.434 4.470 0.001 0.000 0.224 161 S C 1.619 176.219 174.600 -0.000 0.000 1.029 161 S CA 1.749 60.054 58.200 0.176 0.000 0.978 161 S CB -0.268 63.020 63.200 0.147 0.000 0.833 161 S HN 1.090 nan 8.310 nan 0.000 0.466 162 G N 0.198 108.951 108.800 -0.078 0.000 3.314 162 G HA2 0.505 4.465 3.960 0.001 0.000 0.238 162 G HA3 0.505 4.465 3.960 0.001 0.000 0.238 162 G C 0.336 174.919 174.900 -0.529 0.000 1.184 162 G CA 0.177 45.187 45.100 -0.149 0.000 0.806 162 G HN 0.603 nan 8.290 nan 0.000 0.536 163 G N -1.375 106.966 108.800 -0.765 0.000 2.601 163 G HA2 0.700 4.660 3.960 0.001 0.000 0.317 163 G HA3 0.700 4.660 3.960 0.001 0.000 0.317 163 G C -0.367 174.114 174.900 -0.699 0.000 1.246 163 G CA -0.285 43.881 45.100 -1.556 0.000 1.012 163 G HN 0.626 nan 8.290 nan 0.000 0.494 164 G N -2.711 105.779 108.800 -0.518 0.000 2.623 164 G HA2 0.719 4.680 3.960 0.001 0.000 0.290 164 G HA3 0.719 4.680 3.960 0.001 0.000 0.290 164 G C 0.215 175.071 174.900 -0.073 0.000 1.437 164 G CA 0.625 45.620 45.100 -0.176 0.000 0.798 164 G HN 2.092 nan 8.290 nan 0.000 0.488 165 G N -0.424 108.326 108.800 -0.084 0.000 2.547 165 G HA2 0.218 4.178 3.960 0.001 0.000 0.271 165 G HA3 0.218 4.178 3.960 0.001 0.000 0.271 165 G C 1.330 175.926 174.900 -0.507 0.000 1.209 165 G CA 1.006 46.007 45.100 -0.164 0.000 0.959 165 G HN 2.082 nan 8.290 nan 0.000 0.563 166 G N -0.057 108.352 108.800 -0.652 0.000 2.777 166 G HA2 0.303 4.263 3.960 0.001 0.000 0.211 166 G HA3 0.303 4.263 3.960 0.001 0.000 0.211 166 G C 0.884 175.639 174.900 -0.241 0.000 1.149 166 G CA 0.788 45.425 45.100 -0.771 0.000 0.785 166 G HN 0.691 nan 8.290 nan 0.000 0.536 167 R N 0.052 120.507 120.500 -0.075 0.000 2.389 167 R HA 0.431 4.771 4.340 0.001 0.000 0.295 167 R C 0.964 177.342 176.300 0.131 0.000 1.075 167 R CA 0.519 56.670 56.100 0.085 0.000 1.005 167 R CB 0.791 31.224 30.300 0.222 0.000 0.987 167 R HN 0.188 nan 8.270 nan 0.000 0.452 168 G N 2.768 111.632 108.800 0.106 0.000 2.256 168 G HA2 -0.278 3.682 3.960 0.001 0.000 0.272 168 G HA3 -0.278 3.682 3.960 0.001 0.000 0.272 168 G C -0.176 174.702 174.900 -0.037 0.000 1.076 168 G CA -0.147 44.993 45.100 0.066 0.000 0.882 168 G HN 0.505 nan 8.290 nan 0.000 0.497 169 M N -0.513 119.061 119.600 -0.043 0.000 2.224 169 M HA 0.512 4.993 4.480 0.001 0.000 0.281 169 M C -0.075 176.194 176.300 -0.052 0.000 1.025 169 M CA -0.507 54.757 55.300 -0.060 0.000 0.954 169 M CB 2.203 34.781 32.600 -0.037 0.000 1.639 169 M HN 0.185 nan 8.290 nan 0.000 0.461 170 R N 1.942 122.396 120.500 -0.076 0.000 2.538 170 R HA 0.629 4.970 4.340 0.001 0.000 0.292 170 R C -1.385 174.833 176.300 -0.138 0.000 1.008 170 R CA -0.746 55.300 56.100 -0.089 0.000 0.896 170 R CB 2.712 32.973 30.300 -0.065 0.000 1.187 170 R HN 0.439 nan 8.270 nan 0.000 0.440 171 V N 4.158 123.944 119.914 -0.213 0.000 2.461 171 V HA 0.254 4.375 4.120 0.001 0.000 0.275 171 V C 0.079 176.068 176.094 -0.174 0.000 1.047 171 V CA -0.511 61.589 62.300 -0.334 0.000 0.955 171 V CB 1.434 32.878 31.823 -0.632 0.000 0.988 171 V HN 0.409 nan 8.190 nan 0.000 0.471 172 V N 6.355 126.220 119.914 -0.081 0.000 2.417 172 V HA 0.481 4.602 4.120 0.001 0.000 0.291 172 V C 0.639 176.792 176.094 0.097 0.000 1.024 172 V CA -0.603 61.711 62.300 0.023 0.000 0.861 172 V CB 1.484 33.381 31.823 0.123 0.000 0.985 172 V HN 0.853 nan 8.190 nan 0.000 0.436 173 R N 2.392 122.861 120.500 -0.051 0.000 2.446 173 R HA 0.454 4.794 4.340 0.001 0.000 0.254 173 R C 0.656 176.652 176.300 -0.507 0.000 0.918 173 R CA 0.282 56.306 56.100 -0.127 0.000 1.069 173 R CB 1.437 31.681 30.300 -0.092 0.000 1.194 173 R HN 0.814 nan 8.270 nan 0.000 0.534 174 G N -0.662 107.765 108.800 -0.621 0.000 2.692 174 G HA2 0.124 4.084 3.960 0.001 0.000 0.291 174 G HA3 0.124 4.084 3.960 0.001 0.000 0.291 174 G C -0.692 173.894 174.900 -0.524 0.000 1.423 174 G CA -0.509 44.153 45.100 -0.728 0.000 0.843 174 G HN -0.192 nan 8.290 nan 0.000 0.486 175 D N 0.288 120.485 120.400 -0.338 0.000 2.219 175 D HA -0.067 4.573 4.640 0.001 0.000 0.205 175 D C 2.540 178.820 176.300 -0.033 0.000 0.970 175 D CA 1.311 55.283 54.000 -0.047 0.000 0.851 175 D CB 0.186 40.998 40.800 0.019 0.000 0.943 175 D HN 0.417 nan 8.370 nan 0.000 0.488 176 A N 0.833 123.609 122.820 -0.073 0.000 1.969 176 A HA -0.143 4.178 4.320 0.001 0.000 0.218 176 A C 1.868 179.427 177.584 -0.041 0.000 1.169 176 A CA 1.179 53.187 52.037 -0.048 0.000 0.635 176 A CB -0.156 18.811 19.000 -0.056 0.000 0.810 176 A HN 0.033 nan 8.150 nan 0.000 0.445 177 E N -0.946 119.219 120.200 -0.058 0.000 2.474 177 E HA 0.110 4.460 4.350 0.001 0.000 0.194 177 E C 1.530 178.122 176.600 -0.013 0.000 1.041 177 E CA -0.064 56.310 56.400 -0.043 0.000 0.874 177 E CB -0.011 29.650 29.700 -0.064 0.000 0.914 177 E HN 0.479 nan 8.360 nan 0.000 0.498 178 L N 0.453 121.684 121.223 0.013 0.000 2.056 178 L HA -0.032 4.309 4.340 0.001 0.000 0.207 178 L C 2.012 178.900 176.870 0.030 0.000 1.078 178 L CA 1.691 56.563 54.840 0.053 0.000 0.749 178 L CB -0.552 41.575 42.059 0.114 0.000 0.901 178 L HN 0.137 nan 8.230 nan 0.000 0.433 179 A N -1.086 121.745 122.820 0.019 0.000 1.877 179 A HA -0.255 4.065 4.320 0.001 0.000 0.216 179 A C 2.193 179.781 177.584 0.005 0.000 1.186 179 A CA 1.872 53.916 52.037 0.013 0.000 0.620 179 A CB -0.571 18.434 19.000 0.009 0.000 0.822 179 A HN 0.626 nan 8.150 nan 0.000 0.443 180 Q N -0.396 119.404 119.800 -0.001 0.000 2.172 180 Q HA -0.072 4.269 4.340 0.001 0.000 0.200 180 Q C 2.393 178.389 176.000 -0.008 0.000 0.964 180 Q CA 1.525 57.325 55.803 -0.006 0.000 0.855 180 Q CB -0.115 28.615 28.738 -0.012 0.000 0.918 180 Q HN 0.646 nan 8.270 nan 0.000 0.444 181 S N 0.759 116.454 115.700 -0.008 0.000 2.371 181 S HA -0.060 4.410 4.470 0.001 0.000 0.224 181 S C 1.946 176.539 174.600 -0.011 0.000 1.029 181 S CA 0.809 59.001 58.200 -0.014 0.000 0.978 181 S CB -0.106 63.084 63.200 -0.016 0.000 0.833 181 S HN 0.280 nan 8.310 nan 0.000 0.466 182 I N 2.192 122.760 120.570 -0.003 0.000 2.286 182 I HA -0.179 3.991 4.170 0.001 0.000 0.248 182 I C 2.648 178.767 176.117 0.002 0.000 1.115 182 I CA 1.328 62.627 61.300 -0.002 0.000 1.392 182 I CB -0.499 37.506 38.000 0.008 0.000 1.065 182 I HN 0.356 nan 8.210 nan 0.000 0.418 183 S N 0.789 116.491 115.700 0.003 0.000 2.387 183 S HA -0.115 4.356 4.470 0.001 0.000 0.226 183 S C 2.018 176.620 174.600 0.003 0.000 1.026 183 S CA 0.862 59.065 58.200 0.005 0.000 0.972 183 S CB -0.447 62.755 63.200 0.004 0.000 0.814 183 S HN 0.350 nan 8.310 nan 0.000 0.477 184 M N 1.361 120.960 119.600 -0.002 0.000 2.200 184 M HA -0.024 4.457 4.480 0.001 0.000 0.265 184 M C 2.278 178.578 176.300 0.000 0.000 1.066 184 M CA 1.506 56.804 55.300 -0.003 0.000 1.127 184 M CB -0.753 31.841 32.600 -0.009 0.000 1.379 184 M HN 0.375 nan 8.290 nan 0.000 0.420 185 T N -0.261 114.291 114.554 -0.003 0.000 2.857 185 T HA -0.118 4.233 4.350 0.001 0.000 0.266 185 T C 1.765 176.477 174.700 0.021 0.000 1.048 185 T CA 1.103 63.203 62.100 0.001 0.000 1.139 185 T CB -0.276 68.577 68.868 -0.024 0.000 0.874 185 T HN 0.377 nan 8.240 nan 0.000 0.455 186 R N 1.071 121.581 120.500 0.018 0.000 2.081 186 R HA 0.005 4.346 4.340 0.001 0.000 0.235 186 R C 2.566 178.888 176.300 0.037 0.000 1.131 186 R CA 1.348 57.467 56.100 0.031 0.000 0.960 186 R CB -0.414 29.901 30.300 0.025 0.000 0.856 186 R HN 0.363 nan 8.270 nan 0.000 0.436 187 A N 0.842 123.676 122.820 0.023 0.000 1.898 187 A HA -0.143 4.178 4.320 0.001 0.000 0.216 187 A C 1.877 179.470 177.584 0.016 0.000 1.181 187 A CA 1.463 53.510 52.037 0.017 0.000 0.620 187 A CB -0.355 18.649 19.000 0.006 0.000 0.819 187 A HN 0.485 nan 8.150 nan 0.000 0.442 188 E N -0.399 119.813 120.200 0.020 0.000 2.152 188 E HA -0.037 4.314 4.350 0.001 0.000 0.192 188 E C 2.226 178.855 176.600 0.048 0.000 0.983 188 E CA 0.726 57.134 56.400 0.013 0.000 0.818 188 E CB -0.197 29.513 29.700 0.017 0.000 0.758 188 E HN 0.618 nan 8.360 nan 0.000 0.467 189 A N 1.520 124.416 122.820 0.127 0.000 1.929 189 A HA -0.164 4.156 4.320 0.001 0.000 0.216 189 A C 2.031 179.743 177.584 0.213 0.000 1.176 189 A CA 1.165 53.373 52.037 0.286 0.000 0.628 189 A CB -0.201 18.928 19.000 0.215 0.000 0.816 189 A HN 0.010 nan 8.150 nan 0.000 0.444 190 K N -0.388 120.072 120.400 0.100 0.000 2.155 190 K HA 0.024 4.344 4.320 0.001 0.000 0.203 190 K C 2.071 178.680 176.600 0.015 0.000 1.052 190 K CA 0.955 57.281 56.287 0.064 0.000 0.948 190 K CB -0.216 32.310 32.500 0.043 0.000 0.728 190 K HN 0.374 nan 8.250 nan 0.000 0.448 191 A N 0.598 123.405 122.820 -0.023 0.000 1.929 191 A HA 0.021 4.341 4.320 0.001 0.000 0.216 191 A C 2.124 179.618 177.584 -0.150 0.000 1.176 191 A CA 1.567 53.564 52.037 -0.068 0.000 0.628 191 A CB -0.333 18.628 19.000 -0.065 0.000 0.816 191 A HN 0.409 nan 8.150 nan 0.000 0.444 192 A N -1.886 120.764 122.820 -0.283 0.000 1.956 192 A HA 0.417 4.738 4.320 0.001 0.000 0.212 192 A C 1.367 178.528 177.584 -0.705 0.000 1.188 192 A CA 0.804 52.465 52.037 -0.628 0.000 0.675 192 A CB -0.157 18.207 19.000 -1.060 0.000 0.845 192 A HN 0.468 nan 8.150 nan 0.000 0.455 193 F N -0.864 119.089 119.950 0.005 0.000 2.746 193 F HA 0.244 4.771 4.527 0.001 0.000 0.320 193 F C 1.125 176.935 175.800 0.016 0.000 1.097 193 F CA 0.431 58.438 58.000 0.012 0.000 1.195 193 F CB 0.382 39.391 39.000 0.014 0.000 1.056 193 F HN 0.037 nan 8.300 nan 0.000 0.562 194 S N 1.083 116.855 115.700 0.119 0.000 3.445 194 S HA -0.273 4.198 4.470 0.001 0.000 0.319 194 S C -0.231 174.430 174.600 0.101 0.000 1.209 194 S CA 0.969 59.219 58.200 0.084 0.000 0.934 194 S CB -1.636 61.602 63.200 0.064 0.000 0.999 194 S HN 0.557 nan 8.310 nan 0.000 0.582 195 N N 1.231 120.015 118.700 0.141 0.000 2.533 195 N HA 0.301 5.041 4.740 0.001 0.000 0.289 195 N C -0.314 175.265 175.510 0.116 0.000 1.103 195 N CA -0.463 52.656 53.050 0.115 0.000 0.877 195 N CB 1.292 39.846 38.487 0.111 0.000 1.419 195 N HN 0.167 nan 8.380 nan 0.000 0.517 196 D N 2.861 123.311 120.400 0.082 0.000 2.340 196 D HA -0.005 4.635 4.640 0.001 0.000 0.220 196 D C 0.378 176.717 176.300 0.066 0.000 1.039 196 D CA -0.134 53.910 54.000 0.072 0.000 0.866 196 D CB 0.038 40.870 40.800 0.053 0.000 0.913 196 D HN 0.463 nan 8.370 nan 0.000 0.523 197 M N 2.015 121.658 119.600 0.072 0.000 2.217 197 M HA 0.157 4.637 4.480 0.001 0.000 0.352 197 M C -0.656 175.701 176.300 0.095 0.000 1.376 197 M CA -0.205 55.142 55.300 0.078 0.000 1.107 197 M CB 0.831 33.477 32.600 0.078 0.000 1.723 197 M HN -0.047 nan 8.290 nan 0.000 0.461 198 V N 3.854 123.823 119.914 0.092 0.000 2.914 198 V HA 0.787 4.907 4.120 0.001 0.000 0.314 198 V C -1.297 174.884 176.094 0.146 0.000 1.084 198 V CA -0.832 61.509 62.300 0.069 0.000 0.963 198 V CB 1.498 33.318 31.823 -0.005 0.000 1.025 198 V HN 0.901 nan 8.190 nan 0.000 0.432 199 Y N 1.190 121.494 120.300 0.007 0.000 2.665 199 Y HA 0.874 5.425 4.550 0.001 0.000 0.336 199 Y C -0.653 175.253 175.900 0.011 0.000 1.085 199 Y CA -1.749 56.358 58.100 0.011 0.000 1.096 199 Y CB 2.192 40.660 38.460 0.014 0.000 1.301 199 Y HN 0.861 nan 8.280 nan 0.000 0.493 200 M N 2.055 121.740 119.600 0.142 0.000 2.465 200 M HA 0.489 4.969 4.480 0.001 0.000 0.316 200 M C -1.758 174.619 176.300 0.128 0.000 1.121 200 M CA -0.341 54.984 55.300 0.041 0.000 0.934 200 M CB 2.430 35.042 32.600 0.019 0.000 1.692 200 M HN 1.002 nan 8.290 nan 0.000 0.444 201 E N 2.312 122.555 120.200 0.072 0.000 2.429 201 E HA 0.390 4.741 4.350 0.001 0.000 0.276 201 E C -1.636 174.989 176.600 0.041 0.000 0.953 201 E CA -1.241 55.212 56.400 0.088 0.000 0.787 201 E CB 1.903 31.694 29.700 0.152 0.000 1.307 201 E HN 0.552 nan 8.360 nan 0.000 0.458 202 K N 1.286 121.692 120.400 0.011 0.000 2.416 202 K HA 0.002 4.322 4.320 0.001 0.000 0.283 202 K C -1.186 175.426 176.600 0.020 0.000 1.037 202 K CA -0.231 56.049 56.287 -0.011 0.000 0.995 202 K CB 0.253 32.712 32.500 -0.069 0.000 0.938 202 K HN 0.528 nan 8.250 nan 0.000 0.475 203 Y N 6.124 126.392 120.300 -0.053 0.000 2.486 203 Y HA 0.140 4.690 4.550 0.001 0.000 0.348 203 Y C -0.612 175.260 175.900 -0.046 0.000 1.000 203 Y CA -0.383 57.696 58.100 -0.035 0.000 1.253 203 Y CB 0.319 38.778 38.460 -0.002 0.000 1.140 203 Y HN 0.430 nan 8.280 nan 0.000 0.526 204 L N 7.155 128.065 121.223 -0.521 0.000 2.313 204 L HA 0.155 4.495 4.340 0.001 0.000 0.282 204 L C 1.255 177.746 176.870 -0.633 0.000 1.092 204 L CA -0.338 54.228 54.840 -0.457 0.000 0.831 204 L CB 0.979 42.829 42.059 -0.349 0.000 1.159 204 L HN 0.684 nan 8.230 nan 0.000 0.442 205 E N 2.434 122.434 120.200 -0.334 0.000 2.047 205 E HA -0.118 4.232 4.350 0.001 0.000 0.191 205 E C 0.143 176.735 176.600 -0.014 0.000 0.987 205 E CA 1.397 57.699 56.400 -0.163 0.000 0.799 205 E CB 0.125 29.822 29.700 -0.005 0.000 0.752 205 E HN 0.647 nan 8.360 nan 0.000 0.449 206 N N 0.851 119.542 118.700 -0.015 0.000 2.723 206 N HA 0.154 4.894 4.740 0.001 0.000 0.290 206 N C -2.670 172.832 175.510 -0.012 0.000 1.882 206 N CA -0.740 52.351 53.050 0.068 0.000 0.851 206 N CB 1.643 40.179 38.487 0.081 0.000 1.234 206 N HN 0.053 nan 8.380 nan 0.000 0.491 207 P HA 0.324 nan 4.420 nan 0.000 0.280 207 P C -0.584 176.723 177.300 0.010 0.000 1.272 207 P CA -0.464 62.612 63.100 -0.040 0.000 0.819 207 P CB 1.522 33.187 31.700 -0.058 0.000 1.122 208 R N -0.669 119.894 120.500 0.106 0.000 2.540 208 R HA 0.350 4.690 4.340 0.001 0.000 0.287 208 R C 0.302 176.754 176.300 0.253 0.000 0.980 208 R CA -0.577 55.625 56.100 0.170 0.000 0.966 208 R CB 0.765 31.205 30.300 0.233 0.000 1.106 208 R HN 0.611 nan 8.270 nan 0.000 0.480 209 H N 2.412 121.541 119.070 0.098 0.000 2.741 209 H HA 0.281 4.837 4.556 0.001 0.000 0.282 209 H C -1.090 174.328 175.328 0.149 0.000 1.122 209 H CA -0.571 55.546 56.048 0.114 0.000 1.293 209 H CB 0.572 30.367 29.762 0.055 0.000 1.415 209 H HN 0.128 nan 8.280 nan 0.000 0.472 210 V N 6.304 126.354 119.914 0.227 0.000 2.540 210 V HA 0.190 4.311 4.120 0.001 0.000 0.302 210 V C -0.403 175.829 176.094 0.230 0.000 1.035 210 V CA -0.723 61.680 62.300 0.172 0.000 0.873 210 V CB 1.749 33.698 31.823 0.211 0.000 0.992 210 V HN 0.822 nan 8.190 nan 0.000 0.428 211 E N 5.144 125.412 120.200 0.113 0.000 2.288 211 E HA 0.648 4.999 4.350 0.001 0.000 0.268 211 E C -1.571 175.138 176.600 0.181 0.000 0.885 211 E CA -0.971 55.535 56.400 0.177 0.000 0.767 211 E CB 2.591 32.293 29.700 0.003 0.000 1.220 211 E HN 0.358 nan 8.360 nan 0.000 0.427 212 I N 2.358 123.101 120.570 0.288 0.000 2.321 212 I HA 0.160 4.330 4.170 0.001 0.000 0.291 212 I C -0.056 176.206 176.117 0.241 0.000 0.998 212 I CA -0.667 60.765 61.300 0.219 0.000 1.227 212 I CB 1.081 39.196 38.000 0.192 0.000 1.368 212 I HN 0.713 nan 8.210 nan 0.000 0.466 213 Q N 6.245 126.147 119.800 0.170 0.000 2.286 213 Q HA 0.471 4.812 4.340 0.001 0.000 0.257 213 Q C -0.854 175.258 176.000 0.187 0.000 0.941 213 Q CA -0.226 55.669 55.803 0.153 0.000 0.912 213 Q CB 1.196 30.001 28.738 0.112 0.000 1.192 213 Q HN 0.537 nan 8.270 nan 0.000 0.410 214 V N 1.932 121.956 119.914 0.183 0.000 2.960 214 V HA 0.748 4.868 4.120 0.001 0.000 0.315 214 V C -0.963 175.224 176.094 0.155 0.000 1.087 214 V CA -1.038 61.378 62.300 0.193 0.000 0.982 214 V CB 1.958 33.947 31.823 0.278 0.000 1.039 214 V HN 0.755 nan 8.190 nan 0.000 0.437 215 L N 2.613 123.921 121.223 0.143 0.000 2.410 215 L HA 0.938 5.278 4.340 0.001 0.000 0.270 215 L C -0.191 176.766 176.870 0.144 0.000 0.983 215 L CA -0.608 54.311 54.840 0.132 0.000 0.822 215 L CB 2.038 44.140 42.059 0.070 0.000 1.285 215 L HN 1.098 nan 8.230 nan 0.000 0.409 216 A N 1.074 123.998 122.820 0.173 0.000 2.455 216 A HA 0.547 4.867 4.320 0.001 0.000 0.300 216 A C -0.372 177.254 177.584 0.070 0.000 1.040 216 A CA -0.594 51.531 52.037 0.147 0.000 0.697 216 A CB 1.300 20.451 19.000 0.253 0.000 1.265 216 A HN 0.789 nan 8.150 nan 0.000 0.407 217 D N 0.841 121.265 120.400 0.039 0.000 2.349 217 D HA 0.248 4.888 4.640 0.001 0.000 0.215 217 D C 1.177 177.472 176.300 -0.009 0.000 1.016 217 D CA 0.945 54.949 54.000 0.006 0.000 0.870 217 D CB -0.025 40.777 40.800 0.004 0.000 0.917 217 D HN 1.682 nan 8.370 nan 0.000 0.524 218 G N 0.364 109.166 108.800 0.002 0.000 2.155 218 G HA2 -0.355 3.606 3.960 0.001 0.000 0.257 218 G HA3 -0.355 3.606 3.960 0.001 0.000 0.257 218 G C 0.631 175.530 174.900 -0.002 0.000 0.983 218 G CA 0.443 45.537 45.100 -0.009 0.000 0.676 218 G HN 0.481 nan 8.290 nan 0.000 0.528 219 Q N -1.212 118.591 119.800 0.005 0.000 2.159 219 Q HA 0.453 4.794 4.340 0.001 0.000 0.217 219 Q C 1.707 177.713 176.000 0.009 0.000 0.818 219 Q CA 0.467 56.272 55.803 0.003 0.000 1.008 219 Q CB 1.068 29.806 28.738 -0.001 0.000 1.148 219 Q HN 1.364 nan 8.270 nan 0.000 0.491 220 G N 0.997 109.807 108.800 0.018 0.000 2.218 220 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 220 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 220 G C -0.076 174.838 174.900 0.023 0.000 0.994 220 G CA -0.563 44.549 45.100 0.019 0.000 0.637 220 G HN 0.253 nan 8.290 nan 0.000 0.505 221 N N 1.219 119.933 118.700 0.024 0.000 2.456 221 N HA 0.687 5.427 4.740 0.001 0.000 0.288 221 N C -0.165 175.372 175.510 0.044 0.000 1.059 221 N CA 0.683 53.748 53.050 0.024 0.000 0.946 221 N CB 1.854 40.348 38.487 0.012 0.000 1.150 221 N HN 0.967 nan 8.380 nan 0.000 0.479 222 A N 1.854 124.702 122.820 0.047 0.000 2.488 222 A HA 0.682 5.003 4.320 0.001 0.000 0.298 222 A C -0.663 176.954 177.584 0.055 0.000 1.044 222 A CA -0.766 51.315 52.037 0.074 0.000 0.693 222 A CB 0.962 20.025 19.000 0.104 0.000 1.272 222 A HN 0.681 nan 8.150 nan 0.000 0.402 223 I N -0.576 120.026 120.570 0.053 0.000 2.689 223 I HA 0.835 5.005 4.170 0.001 0.000 0.299 223 I C -0.794 175.360 176.117 0.061 0.000 1.059 223 I CA -1.172 60.126 61.300 -0.003 0.000 1.055 223 I CB 1.998 39.944 38.000 -0.091 0.000 1.243 223 I HN 0.728 nan 8.210 nan 0.000 0.425 224 Y N 3.319 123.609 120.300 -0.016 0.000 2.361 224 Y HA 0.787 5.338 4.550 0.001 0.000 0.332 224 Y C -1.015 174.874 175.900 -0.017 0.000 1.101 224 Y CA -1.485 56.608 58.100 -0.012 0.000 1.137 224 Y CB 1.238 39.668 38.460 -0.051 0.000 1.207 224 Y HN 0.504 nan 8.280 nan 0.000 0.463 225 L N 5.148 126.432 121.223 0.100 0.000 2.825 225 L HA 0.660 5.000 4.340 0.001 0.000 0.236 225 L C 0.571 177.492 176.870 0.086 0.000 1.301 225 L CA 0.113 54.968 54.840 0.026 0.000 0.977 225 L CB -0.244 41.829 42.059 0.023 0.000 1.300 225 L HN 1.159 nan 8.230 nan 0.000 0.486 226 A N 0.749 123.666 122.820 0.162 0.000 6.082 226 A HA -0.143 4.178 4.320 0.001 0.000 0.269 226 A C 0.283 177.915 177.584 0.080 0.000 2.078 226 A CA 1.185 53.298 52.037 0.128 0.000 0.711 226 A CB -0.574 18.464 19.000 0.063 0.000 1.114 226 A HN 0.622 nan 8.150 nan 0.000 0.371 227 E N 0.465 120.684 120.200 0.032 0.000 2.378 227 E HA 0.802 5.152 4.350 0.001 0.000 0.265 227 E C -0.649 175.954 176.600 0.006 0.000 0.932 227 E CA -0.897 55.514 56.400 0.019 0.000 0.795 227 E CB 1.373 31.067 29.700 -0.010 0.000 1.296 227 E HN 0.765 nan 8.360 nan 0.000 0.438 228 R N 0.514 121.020 120.500 0.011 0.000 2.628 228 R HA 0.322 4.662 4.340 0.001 0.000 0.288 228 R C -1.092 175.206 176.300 -0.004 0.000 0.980 228 R CA -0.854 55.242 56.100 -0.006 0.000 0.891 228 R CB 1.596 31.893 30.300 -0.006 0.000 1.188 228 R HN 0.511 nan 8.270 nan 0.000 0.450 229 D N 1.920 122.326 120.400 0.009 0.000 2.317 229 D HA 0.162 4.802 4.640 0.001 0.000 0.234 229 D C -0.282 176.048 176.300 0.050 0.000 1.112 229 D CA -0.338 53.684 54.000 0.037 0.000 0.840 229 D CB 1.111 41.947 40.800 0.059 0.000 1.078 229 D HN 0.547 nan 8.370 nan 0.000 0.486 230 C N 2.801 122.122 119.300 0.034 0.000 2.742 230 C HA 0.189 4.649 4.460 0.001 0.000 0.283 230 C C 2.031 177.106 174.990 0.142 0.000 1.451 230 C CA -0.440 58.613 59.018 0.058 0.000 1.785 230 C CB -1.164 26.562 27.740 -0.022 0.000 2.664 230 C HN 0.547 nan 8.230 nan 0.000 0.544 231 S N 1.150 116.937 115.700 0.146 0.000 2.402 231 S HA -0.079 4.392 4.470 0.001 0.000 0.229 231 S C 0.962 175.628 174.600 0.110 0.000 1.021 231 S CA 0.824 59.106 58.200 0.137 0.000 0.974 231 S CB -0.215 63.061 63.200 0.127 0.000 0.800 231 S HN 0.669 nan 8.310 nan 0.000 0.484 232 M N 3.172 122.849 119.600 0.128 0.000 2.685 232 M HA 0.120 4.600 4.480 0.001 0.000 0.316 232 M C -0.425 175.915 176.300 0.066 0.000 1.523 232 M CA 0.082 55.452 55.300 0.116 0.000 1.472 232 M CB -0.586 32.082 32.600 0.114 0.000 1.525 232 M HN 0.239 nan 8.290 nan 0.000 0.471 233 Q N 2.626 122.451 119.800 0.041 0.000 2.565 233 Q HA 0.713 5.054 4.340 0.001 0.000 0.294 233 Q C -1.328 174.646 176.000 -0.043 0.000 1.005 233 Q CA -1.058 54.744 55.803 -0.003 0.000 0.771 233 Q CB 1.373 30.107 28.738 -0.006 0.000 1.486 233 Q HN 0.575 nan 8.270 nan 0.000 0.422 234 R N 0.566 121.014 120.500 -0.086 0.000 2.522 234 R HA 0.488 4.828 4.340 0.001 0.000 0.283 234 R C -0.976 175.244 176.300 -0.134 0.000 1.074 234 R CA -0.466 55.553 56.100 -0.134 0.000 0.925 234 R CB 1.019 31.184 30.300 -0.225 0.000 1.205 234 R HN 0.826 nan 8.270 nan 0.000 0.436 235 R N 4.551 124.983 120.500 -0.113 0.000 3.251 235 R HA -0.198 4.143 4.340 0.001 0.000 0.249 235 R C -0.547 175.806 176.300 0.088 0.000 0.949 235 R CA 1.199 57.286 56.100 -0.021 0.000 0.645 235 R CB -1.935 28.351 30.300 -0.022 0.000 1.065 235 R HN 0.970 nan 8.270 nan 0.000 0.452 236 H N -2.894 116.156 119.070 -0.034 0.000 3.047 236 H HA -0.166 4.390 4.556 0.001 0.000 0.263 236 H C -0.292 175.021 175.328 -0.026 0.000 1.168 236 H CA 1.363 57.393 56.048 -0.030 0.000 1.152 236 H CB -0.580 29.170 29.762 -0.020 0.000 1.278 236 H HN 0.458 nan 8.280 nan 0.000 0.339 237 Q N 1.262 121.079 119.800 0.029 0.000 2.341 237 Q HA 0.350 4.690 4.340 0.001 0.000 0.268 237 Q C 0.245 176.242 176.000 -0.006 0.000 1.013 237 Q CA -0.503 55.304 55.803 0.007 0.000 0.798 237 Q CB 2.005 30.731 28.738 -0.020 0.000 1.253 237 Q HN 0.278 nan 8.270 nan 0.000 0.457 238 K N 0.888 121.296 120.400 0.013 0.000 2.382 238 K HA 0.165 4.486 4.320 0.001 0.000 0.275 238 K C 0.645 177.252 176.600 0.012 0.000 1.009 238 K CA -0.083 56.217 56.287 0.022 0.000 0.970 238 K CB 0.989 33.507 32.500 0.029 0.000 0.934 238 K HN 0.272 nan 8.250 nan 0.000 0.479 239 V N 1.635 121.561 119.914 0.020 0.000 3.058 239 V HA 0.048 4.168 4.120 0.001 0.000 0.233 239 V C -0.059 176.049 176.094 0.023 0.000 1.255 239 V CA 0.115 62.429 62.300 0.024 0.000 1.267 239 V CB 1.124 32.962 31.823 0.025 0.000 1.049 239 V HN 0.439 nan 8.190 nan 0.000 0.486 240 V N 1.302 121.230 119.914 0.024 0.000 2.656 240 V HA 0.614 4.734 4.120 0.001 0.000 0.307 240 V C -1.087 175.050 176.094 0.072 0.000 1.051 240 V CA -0.533 61.787 62.300 0.033 0.000 0.893 240 V CB 1.906 33.715 31.823 -0.023 0.000 0.999 240 V HN 0.481 nan 8.190 nan 0.000 0.426 241 E N 2.637 122.881 120.200 0.074 0.000 2.312 241 E HA 0.744 5.094 4.350 0.001 0.000 0.267 241 E C -1.001 175.655 176.600 0.093 0.000 0.894 241 E CA -0.842 55.602 56.400 0.072 0.000 0.773 241 E CB 2.439 32.154 29.700 0.027 0.000 1.241 241 E HN 0.868 nan 8.360 nan 0.000 0.432 242 E N 0.128 120.377 120.200 0.080 0.000 2.390 242 E HA 0.835 5.185 4.350 0.001 0.000 0.277 242 E C -1.581 174.980 176.600 -0.064 0.000 0.939 242 E CA -1.483 54.950 56.400 0.054 0.000 0.769 242 E CB 1.888 31.705 29.700 0.195 0.000 1.251 242 E HN 0.440 nan 8.360 nan 0.000 0.450 243 A N 2.375 125.058 122.820 -0.228 0.000 2.422 243 A HA 0.694 5.014 4.320 0.001 0.000 0.302 243 A C -2.737 174.497 177.584 -0.583 0.000 1.041 243 A CA -1.604 50.274 52.037 -0.265 0.000 0.708 243 A CB 1.551 20.483 19.000 -0.115 0.000 1.257 243 A HN 0.539 nan 8.150 nan 0.000 0.414 244 P HA 0.412 nan 4.420 nan 0.000 0.279 244 P C -0.077 177.174 177.300 -0.081 0.000 1.282 244 P CA -0.154 62.857 63.100 -0.148 0.000 0.788 244 P CB 0.762 32.435 31.700 -0.045 0.000 1.139 245 A N 0.789 123.592 122.820 -0.029 0.000 2.409 245 A HA 0.439 4.759 4.320 0.001 0.000 0.267 245 A C -2.138 175.450 177.584 0.007 0.000 1.127 245 A CA -1.437 50.595 52.037 -0.008 0.000 0.795 245 A CB -1.355 17.607 19.000 -0.063 0.000 1.061 245 A HN 0.352 nan 8.150 nan 0.000 0.502 246 P HA 0.243 nan 4.420 nan 0.000 0.264 246 P C 1.145 178.424 177.300 -0.034 0.000 1.193 246 P CA 1.837 64.929 63.100 -0.014 0.000 0.763 246 P CB 0.733 32.392 31.700 -0.067 0.000 0.810 247 G N 2.990 111.769 108.800 -0.036 0.000 2.268 247 G HA2 -0.211 3.750 3.960 0.001 0.000 0.240 247 G HA3 -0.211 3.750 3.960 0.001 0.000 0.240 247 G C 0.193 175.081 174.900 -0.019 0.000 1.010 247 G CA -0.480 44.611 45.100 -0.015 0.000 0.618 247 G HN 0.485 nan 8.290 nan 0.000 0.516 248 I N 3.609 124.139 120.570 -0.066 0.000 2.505 248 I HA 0.249 4.419 4.170 0.001 0.000 0.287 248 I C 1.502 177.609 176.117 -0.017 0.000 1.104 248 I CA 0.655 61.908 61.300 -0.079 0.000 1.387 248 I CB -0.186 37.742 38.000 -0.120 0.000 1.404 248 I HN 0.402 nan 8.210 nan 0.000 0.528 249 T N 4.822 119.379 114.554 0.005 0.000 2.849 249 T HA 0.292 4.643 4.350 0.001 0.000 0.284 249 T C -1.713 173.001 174.700 0.024 0.000 1.004 249 T CA -1.597 60.513 62.100 0.016 0.000 1.021 249 T CB 1.141 70.020 68.868 0.019 0.000 1.013 249 T HN 0.302 nan 8.240 nan 0.000 0.527 250 P HA -0.143 nan 4.420 nan 0.000 0.218 250 P C 1.655 178.984 177.300 0.048 0.000 1.148 250 P CA 0.995 64.123 63.100 0.045 0.000 0.822 250 P CB 0.062 31.790 31.700 0.047 0.000 0.784 251 E N -0.448 119.777 120.200 0.040 0.000 2.107 251 E HA -0.122 4.228 4.350 0.001 0.000 0.191 251 E C 1.961 178.594 176.600 0.054 0.000 0.982 251 E CA 0.904 57.331 56.400 0.045 0.000 0.809 251 E CB -1.340 28.380 29.700 0.033 0.000 0.756 251 E HN 0.206 nan 8.360 nan 0.000 0.459 252 L N 1.456 122.706 121.223 0.046 0.000 2.156 252 L HA -0.011 4.330 4.340 0.001 0.000 0.208 252 L C 2.768 179.661 176.870 0.038 0.000 1.095 252 L CA 1.408 56.293 54.840 0.075 0.000 0.770 252 L CB -0.444 41.681 42.059 0.111 0.000 0.914 252 L HN 0.018 nan 8.230 nan 0.000 0.439 253 R N -0.117 120.379 120.500 -0.006 0.000 2.066 253 R HA -0.184 4.157 4.340 0.001 0.000 0.232 253 R C 2.454 178.644 176.300 -0.183 0.000 1.131 253 R CA 1.738 57.789 56.100 -0.083 0.000 0.955 253 R CB -0.200 30.105 30.300 0.009 0.000 0.851 253 R HN 0.492 nan 8.270 nan 0.000 0.432 254 R N -1.191 119.268 120.500 -0.068 0.000 2.148 254 R HA -0.157 4.184 4.340 0.001 0.000 0.223 254 R C 2.079 178.245 176.300 -0.223 0.000 1.088 254 R CA 1.366 57.396 56.100 -0.116 0.000 0.985 254 R CB -0.953 29.391 30.300 0.074 0.000 0.880 254 R HN 0.296 nan 8.270 nan 0.000 0.451 255 Y N 1.589 121.747 120.300 -0.237 0.000 2.049 255 Y HA -0.235 4.316 4.550 0.001 0.000 0.277 255 Y C 2.075 177.748 175.900 -0.379 0.000 1.143 255 Y CA 1.898 59.857 58.100 -0.234 0.000 1.115 255 Y CB -0.229 38.146 38.460 -0.143 0.000 0.975 255 Y HN 0.077 nan 8.280 nan 0.000 0.487 256 I N 0.673 121.036 120.570 -0.345 0.000 2.617 256 I HA 0.003 4.173 4.170 0.001 0.000 0.256 256 I C 2.349 178.014 176.117 -0.753 0.000 1.167 256 I CA 1.460 62.355 61.300 -0.675 0.000 1.469 256 I CB -0.861 36.385 38.000 -1.257 0.000 1.098 256 I HN 0.364 nan 8.210 nan 0.000 0.436 257 G N -0.353 107.918 108.800 -0.880 0.000 2.404 257 G HA2 -0.215 3.746 3.960 0.001 0.000 0.215 257 G HA3 -0.215 3.746 3.960 0.001 0.000 0.215 257 G C 1.558 175.793 174.900 -1.109 0.000 1.174 257 G CA 0.622 44.904 45.100 -1.364 0.000 0.780 257 G HN 0.440 nan 8.290 nan 0.000 0.537 258 E N 0.028 119.721 120.200 -0.846 0.000 2.118 258 E HA -0.097 4.253 4.350 0.001 0.000 0.195 258 E C 2.727 179.129 176.600 -0.329 0.000 0.992 258 E CA 0.585 56.770 56.400 -0.357 0.000 0.804 258 E CB -0.060 29.497 29.700 -0.238 0.000 0.741 258 E HN 0.308 nan 8.360 nan 0.000 0.458 259 R N -0.249 119.984 120.500 -0.445 0.000 2.115 259 R HA -0.049 4.291 4.340 0.001 0.000 0.226 259 R C 2.368 178.419 176.300 -0.415 0.000 1.100 259 R CA 0.988 56.848 56.100 -0.399 0.000 0.980 259 R CB -0.186 29.845 30.300 -0.449 0.000 0.875 259 R HN 0.223 nan 8.270 nan 0.000 0.445 260 C N -0.284 118.709 119.300 -0.512 0.000 2.446 260 C HA 0.005 4.465 4.460 0.001 0.000 0.277 260 C C 2.840 177.577 174.990 -0.421 0.000 1.275 260 C CA 0.777 59.344 59.018 -0.750 0.000 1.727 260 C CB -0.760 26.552 27.740 -0.714 0.000 2.010 260 C HN 0.592 nan 8.230 nan 0.000 0.486 261 A N 0.283 122.994 122.820 -0.183 0.000 1.930 261 A HA -0.209 4.111 4.320 0.001 0.000 0.217 261 A C 2.243 179.805 177.584 -0.037 0.000 1.175 261 A CA 1.860 53.890 52.037 -0.012 0.000 0.627 261 A CB -0.555 18.506 19.000 0.101 0.000 0.815 261 A HN 0.677 nan 8.150 nan 0.000 0.443 262 K N -0.244 120.095 120.400 -0.102 0.000 2.057 262 K HA -0.061 4.260 4.320 0.001 0.000 0.206 262 K C 2.142 178.695 176.600 -0.079 0.000 1.050 262 K CA 1.116 57.351 56.287 -0.087 0.000 0.935 262 K CB -0.311 32.117 32.500 -0.120 0.000 0.715 262 K HN 0.355 nan 8.250 nan 0.000 0.439 263 A N 0.875 123.610 122.820 -0.141 0.000 1.933 263 A HA -0.179 4.142 4.320 0.001 0.000 0.218 263 A C 2.409 180.017 177.584 0.039 0.000 1.175 263 A CA 1.645 53.622 52.037 -0.101 0.000 0.628 263 A CB -0.965 17.891 19.000 -0.241 0.000 0.814 263 A HN 0.550 nan 8.150 nan 0.000 0.444 264 C N -1.344 118.009 119.300 0.089 0.000 2.429 264 C HA -0.065 4.396 4.460 0.001 0.000 0.277 264 C C 2.746 177.826 174.990 0.149 0.000 1.262 264 C CA 1.098 60.230 59.018 0.189 0.000 1.733 264 C CB -1.212 26.656 27.740 0.213 0.000 2.010 264 C HN 0.476 nan 8.230 nan 0.000 0.483 265 V N 1.202 121.164 119.914 0.081 0.000 2.343 265 V HA -0.193 3.928 4.120 0.001 0.000 0.247 265 V C 2.062 178.182 176.094 0.044 0.000 1.051 265 V CA 2.248 64.582 62.300 0.056 0.000 1.036 265 V CB -0.736 31.103 31.823 0.026 0.000 0.654 265 V HN 0.459 nan 8.190 nan 0.000 0.451 266 D N 0.494 120.910 120.400 0.028 0.000 2.144 266 D HA -0.115 4.526 4.640 0.001 0.000 0.199 266 D C 1.823 178.142 176.300 0.033 0.000 0.984 266 D CA 1.772 55.781 54.000 0.015 0.000 0.834 266 D CB -0.200 40.593 40.800 -0.010 0.000 0.955 266 D HN 0.671 nan 8.370 nan 0.000 0.465 267 I N -3.755 116.854 120.570 0.064 0.000 3.883 267 I HA 0.343 4.513 4.170 0.001 0.000 0.326 267 I C 1.034 177.212 176.117 0.101 0.000 1.283 267 I CA 0.268 61.617 61.300 0.082 0.000 1.161 267 I CB -0.037 38.026 38.000 0.105 0.000 1.012 267 I HN -0.032 nan 8.210 nan 0.000 0.421 268 G N 1.675 110.533 108.800 0.096 0.000 2.295 268 G HA2 -0.363 3.598 3.960 0.001 0.000 0.287 268 G HA3 -0.363 3.598 3.960 0.001 0.000 0.287 268 G C -0.008 174.952 174.900 0.100 0.000 1.055 268 G CA 0.301 45.448 45.100 0.078 0.000 0.922 268 G HN 0.681 nan 8.290 nan 0.000 0.503 269 Y N 0.245 120.568 120.300 0.038 0.000 2.597 269 Y HA 0.415 4.965 4.550 0.001 0.000 0.336 269 Y C 0.986 176.906 175.900 0.034 0.000 1.216 269 Y CA 0.228 58.352 58.100 0.040 0.000 1.463 269 Y CB 0.528 39.026 38.460 0.065 0.000 1.303 269 Y HN 0.376 nan 8.280 nan 0.000 0.576 270 R N 4.115 124.234 120.500 -0.635 0.000 2.502 270 R HA 0.543 4.883 4.340 0.001 0.000 0.300 270 R C -0.284 175.737 176.300 -0.464 0.000 0.984 270 R CA 0.282 56.162 56.100 -0.367 0.000 0.882 270 R CB 0.988 31.152 30.300 -0.226 0.000 1.180 270 R HN 1.021 nan 8.270 nan 0.000 0.444 271 G N 2.113 110.818 108.800 -0.159 0.000 2.512 271 G HA2 -0.028 3.932 3.960 0.001 0.000 0.210 271 G HA3 -0.028 3.932 3.960 0.001 0.000 0.210 271 G C -1.038 173.939 174.900 0.128 0.000 1.295 271 G CA -0.419 44.641 45.100 -0.066 0.000 0.934 271 G HN 0.840 nan 8.290 nan 0.000 0.554 272 A N -0.318 122.570 122.820 0.114 0.000 2.354 272 A HA 0.912 5.232 4.320 0.001 0.000 0.269 272 A C 0.811 178.567 177.584 0.287 0.000 1.109 272 A CA 1.170 53.310 52.037 0.172 0.000 0.800 272 A CB 0.901 19.946 19.000 0.075 0.000 1.045 272 A HN 2.528 nan 8.150 nan 0.000 0.489 273 G N -0.234 108.679 108.800 0.188 0.000 2.692 273 G HA2 0.605 4.566 3.960 0.001 0.000 0.291 273 G HA3 0.605 4.566 3.960 0.001 0.000 0.291 273 G C -1.123 173.709 174.900 -0.113 0.000 1.423 273 G CA -0.388 44.698 45.100 -0.024 0.000 0.843 273 G HN 0.768 nan 8.290 nan 0.000 0.486 274 T N 0.721 115.150 114.554 -0.209 0.000 2.879 274 T HA 0.484 4.834 4.350 0.001 0.000 0.290 274 T C -1.204 173.361 174.700 -0.226 0.000 0.993 274 T CA -0.191 61.846 62.100 -0.104 0.000 0.975 274 T CB 0.990 69.849 68.868 -0.015 0.000 0.981 274 T HN 0.289 nan 8.240 nan 0.000 0.439 275 F N 2.326 122.308 119.950 0.053 0.000 2.404 275 F HA 0.326 4.854 4.527 0.001 0.000 0.358 275 F C 1.138 176.933 175.800 -0.009 0.000 1.120 275 F CA -0.782 57.260 58.000 0.070 0.000 1.144 275 F CB 0.744 39.853 39.000 0.182 0.000 1.133 275 F HN 0.431 nan 8.300 nan 0.000 0.495 276 E N 3.817 123.976 120.200 -0.069 0.000 2.259 276 E HA 0.380 4.730 4.350 0.001 0.000 0.281 276 E C -1.154 175.301 176.600 -0.243 0.000 1.027 276 E CA -0.321 56.040 56.400 -0.065 0.000 0.838 276 E CB 1.146 30.842 29.700 -0.007 0.000 1.066 276 E HN 0.359 nan 8.360 nan 0.000 0.401 277 F N 1.639 121.735 119.950 0.243 0.000 2.563 277 F HA 0.368 4.895 4.527 0.001 0.000 0.316 277 F C -0.132 175.898 175.800 0.384 0.000 1.076 277 F CA -0.954 57.254 58.000 0.347 0.000 0.921 277 F CB 1.130 40.435 39.000 0.509 0.000 1.209 277 F HN 0.175 nan 8.300 nan 0.000 0.462 278 L N 2.861 124.409 121.223 0.543 0.000 2.305 278 L HA 0.333 4.674 4.340 0.001 0.000 0.281 278 L C -0.970 176.200 176.870 0.500 0.000 1.085 278 L CA -0.343 54.748 54.840 0.420 0.000 0.813 278 L CB 0.856 43.064 42.059 0.248 0.000 1.157 278 L HN 0.524 nan 8.230 nan 0.000 0.436 279 F N 3.751 123.794 119.950 0.155 0.000 2.427 279 F HA 0.467 4.994 4.527 0.001 0.000 0.348 279 F C -0.148 175.631 175.800 -0.034 0.000 1.125 279 F CA -0.214 57.741 58.000 -0.075 0.000 0.989 279 F CB 1.014 39.854 39.000 -0.267 0.000 1.165 279 F HN 0.472 nan 8.300 nan 0.000 0.442 280 E N 4.888 124.774 120.200 -0.523 0.000 2.321 280 E HA 0.219 4.569 4.350 0.001 0.000 0.278 280 E C -0.744 175.574 176.600 -0.470 0.000 0.902 280 E CA -0.639 55.525 56.400 -0.393 0.000 0.758 280 E CB 1.132 30.754 29.700 -0.130 0.000 1.213 280 E HN 0.725 nan 8.360 nan 0.000 0.426 281 N N 2.409 120.863 118.700 -0.411 0.000 2.721 281 N HA -0.240 4.500 4.740 0.001 0.000 0.249 281 N C 0.498 175.779 175.510 -0.381 0.000 1.072 281 N CA 1.459 54.331 53.050 -0.296 0.000 0.710 281 N CB -1.190 37.207 38.487 -0.150 0.000 0.993 281 N HN 0.974 nan 8.380 nan 0.000 0.547 282 G N -1.160 107.226 108.800 -0.690 0.000 2.148 282 G HA2 -0.307 3.653 3.960 0.001 0.000 0.254 282 G HA3 -0.307 3.653 3.960 0.001 0.000 0.254 282 G C -0.283 174.341 174.900 -0.460 0.000 0.981 282 G CA 0.739 45.541 45.100 -0.498 0.000 0.670 282 G HN 0.486 nan 8.290 nan 0.000 0.528 283 E N -0.757 119.033 120.200 -0.684 0.000 2.238 283 E HA 0.658 5.008 4.350 0.001 0.000 0.267 283 E C -0.652 175.615 176.600 -0.555 0.000 0.887 283 E CA -0.813 55.298 56.400 -0.483 0.000 0.769 283 E CB 1.369 30.818 29.700 -0.419 0.000 1.187 283 E HN 0.115 nan 8.360 nan 0.000 0.416 284 F N 1.346 121.142 119.950 -0.256 0.000 2.399 284 F HA 0.370 4.898 4.527 0.001 0.000 0.334 284 F C -0.285 175.378 175.800 -0.228 0.000 1.097 284 F CA -0.512 57.448 58.000 -0.066 0.000 1.076 284 F CB 0.893 39.780 39.000 -0.187 0.000 1.162 284 F HN 0.287 nan 8.300 nan 0.000 0.495 285 Y N 2.942 123.630 120.300 0.646 0.000 2.331 285 Y HA 0.268 4.818 4.550 0.001 0.000 0.326 285 Y C -0.489 175.738 175.900 0.545 0.000 1.020 285 Y CA -1.361 57.049 58.100 0.516 0.000 1.136 285 Y CB 1.115 39.735 38.460 0.268 0.000 1.157 285 Y HN 0.484 nan 8.280 nan 0.000 0.444 286 F N 5.494 125.678 119.950 0.391 0.000 2.529 286 F HA 0.253 4.780 4.527 0.001 0.000 0.365 286 F C 0.813 176.623 175.800 0.017 0.000 1.102 286 F CA 0.070 57.992 58.000 -0.131 0.000 1.271 286 F CB 0.641 39.531 39.000 -0.184 0.000 1.120 286 F HN 0.570 nan 8.300 nan 0.000 0.579 287 I N 0.780 120.847 120.570 -0.837 0.000 3.812 287 I HA 0.365 4.535 4.170 0.001 0.000 0.292 287 I C -0.659 174.947 176.117 -0.852 0.000 1.206 287 I CA -0.102 60.863 61.300 -0.559 0.000 1.370 287 I CB 0.155 38.033 38.000 -0.203 0.000 1.328 287 I HN 0.571 nan 8.210 nan 0.000 0.453 288 E N 1.389 120.863 120.200 -1.210 0.000 2.401 288 E HA 0.452 4.802 4.350 0.001 0.000 0.280 288 E C -1.464 174.862 176.600 -0.457 0.000 1.039 288 E CA -0.911 55.079 56.400 -0.684 0.000 0.814 288 E CB 2.089 31.638 29.700 -0.251 0.000 1.275 288 E HN 0.158 nan 8.360 nan 0.000 0.448 289 M N 2.159 121.721 119.600 -0.062 0.000 2.311 289 M HA 0.402 4.882 4.480 0.001 0.000 0.325 289 M C -1.571 174.669 176.300 -0.099 0.000 1.061 289 M CA -0.766 54.482 55.300 -0.087 0.000 0.957 289 M CB 1.541 34.064 32.600 -0.130 0.000 1.646 289 M HN 0.475 nan 8.290 nan 0.000 0.434 290 N N 3.219 121.846 118.700 -0.121 0.000 2.426 290 N HA 0.206 4.946 4.740 0.001 0.000 0.257 290 N C -0.380 175.115 175.510 -0.025 0.000 1.002 290 N CA -0.070 52.954 53.050 -0.043 0.000 0.942 290 N CB 1.361 39.838 38.487 -0.016 0.000 1.112 290 N HN 0.600 nan 8.380 nan 0.000 0.499 291 T N 0.165 114.760 114.554 0.068 0.000 3.389 291 T HA 0.395 4.746 4.350 0.001 0.000 0.238 291 T C 0.402 175.227 174.700 0.209 0.000 1.178 291 T CA -0.647 61.574 62.100 0.203 0.000 1.117 291 T CB -0.502 68.511 68.868 0.242 0.000 1.177 291 T HN 0.691 nan 8.240 nan 0.000 0.653 292 R N -1.159 119.439 120.500 0.164 0.000 2.780 292 R HA 0.596 4.937 4.340 0.001 0.000 0.280 292 R C -1.512 174.860 176.300 0.120 0.000 1.016 292 R CA -1.225 54.958 56.100 0.138 0.000 0.854 292 R CB 0.194 30.590 30.300 0.160 0.000 1.293 292 R HN 0.109 nan 8.270 nan 0.000 0.483 293 I N 1.057 121.698 120.570 0.119 0.000 2.836 293 I HA 0.082 4.252 4.170 0.001 0.000 0.285 293 I C -0.309 175.919 176.117 0.185 0.000 1.174 293 I CA 0.561 61.924 61.300 0.106 0.000 1.405 293 I CB 0.816 38.833 38.000 0.029 0.000 1.385 293 I HN 0.496 nan 8.210 nan 0.000 0.594 294 Q N 3.783 123.688 119.800 0.174 0.000 2.351 294 Q HA 0.334 4.674 4.340 0.001 0.000 0.273 294 Q C 0.911 176.999 176.000 0.145 0.000 1.077 294 Q CA -0.919 54.948 55.803 0.107 0.000 0.843 294 Q CB 1.976 30.737 28.738 0.038 0.000 1.367 294 Q HN 0.531 nan 8.270 nan 0.000 0.449 295 V N 1.232 120.990 119.914 -0.259 0.000 2.278 295 V HA -0.303 3.818 4.120 0.001 0.000 0.251 295 V C 1.809 177.871 176.094 -0.053 0.000 1.062 295 V CA 2.449 64.592 62.300 -0.263 0.000 1.038 295 V CB -0.550 31.020 31.823 -0.422 0.000 0.646 295 V HN 0.855 nan 8.190 nan 0.000 0.447 296 E N 0.823 120.994 120.200 -0.049 0.000 2.445 296 E HA -0.144 4.207 4.350 0.001 0.000 0.189 296 E C 1.715 178.289 176.600 -0.043 0.000 1.069 296 E CA 0.446 56.811 56.400 -0.057 0.000 0.871 296 E CB -0.787 28.892 29.700 -0.036 0.000 0.991 296 E HN 0.923 nan 8.360 nan 0.000 0.481 297 H N 1.005 120.081 119.070 0.010 0.000 2.422 297 H HA 0.020 4.577 4.556 0.001 0.000 0.298 297 H C -0.961 174.379 175.328 0.019 0.000 1.098 297 H CA 0.996 57.059 56.048 0.024 0.000 1.315 297 H CB -1.630 28.159 29.762 0.045 0.000 1.382 297 H HN 0.155 nan 8.280 nan 0.000 0.523 298 P HA -0.147 nan 4.420 nan 0.000 0.218 298 P C 2.278 179.528 177.300 -0.084 0.000 1.148 298 P CA 1.945 64.885 63.100 -0.266 0.000 0.822 298 P CB -0.264 31.255 31.700 -0.302 0.000 0.784 299 V N -3.745 116.134 119.914 -0.059 0.000 2.490 299 V HA -0.211 3.909 4.120 0.001 0.000 0.250 299 V C 1.927 178.018 176.094 -0.004 0.000 1.061 299 V CA 2.484 64.775 62.300 -0.014 0.000 1.064 299 V CB -2.249 29.566 31.823 -0.014 0.000 0.670 299 V HN 0.059 nan 8.190 nan 0.000 0.461 300 T N 0.470 115.029 114.554 0.007 0.000 2.777 300 T HA -0.124 4.227 4.350 0.001 0.000 0.266 300 T C 1.818 176.531 174.700 0.022 0.000 1.040 300 T CA 1.951 64.065 62.100 0.023 0.000 1.141 300 T CB -0.320 68.579 68.868 0.052 0.000 0.868 300 T HN 0.695 nan 8.240 nan 0.000 0.444 301 E N 0.788 121.006 120.200 0.029 0.000 2.085 301 E HA -0.114 4.236 4.350 0.001 0.000 0.194 301 E C 2.248 178.826 176.600 -0.036 0.000 0.994 301 E CA 0.987 57.397 56.400 0.017 0.000 0.801 301 E CB -0.166 29.561 29.700 0.045 0.000 0.743 301 E HN 0.356 nan 8.360 nan 0.000 0.453 302 M N 0.411 119.979 119.600 -0.052 0.000 2.117 302 M HA -0.112 4.368 4.480 0.001 0.000 0.262 302 M C 2.588 178.779 176.300 -0.182 0.000 1.065 302 M CA 1.322 56.533 55.300 -0.149 0.000 1.114 302 M CB -0.917 31.658 32.600 -0.042 0.000 1.361 302 M HN 0.230 nan 8.290 nan 0.000 0.408 303 I N -2.469 118.097 120.570 -0.007 0.000 3.226 303 I HA 0.001 4.171 4.170 0.001 0.000 0.277 303 I C 1.811 177.949 176.117 0.035 0.000 1.243 303 I CA 1.215 62.560 61.300 0.075 0.000 1.459 303 I CB -0.495 37.556 38.000 0.085 0.000 1.093 303 I HN 0.233 nan 8.210 nan 0.000 0.453 304 T N -3.398 111.156 114.554 -0.001 0.000 2.969 304 T HA 0.431 4.781 4.350 0.001 0.000 0.250 304 T C 1.683 176.376 174.700 -0.013 0.000 1.021 304 T CA 0.501 62.601 62.100 0.001 0.000 1.003 304 T CB 0.392 69.255 68.868 -0.008 0.000 1.040 304 T HN 0.593 nan 8.240 nan 0.000 0.492 305 G N 1.145 109.922 108.800 -0.038 0.000 2.179 305 G HA2 -0.228 3.732 3.960 0.001 0.000 0.260 305 G HA3 -0.228 3.732 3.960 0.001 0.000 0.260 305 G C 0.062 174.951 174.900 -0.019 0.000 0.977 305 G CA 0.068 45.144 45.100 -0.040 0.000 0.641 305 G HN 0.746 nan 8.290 nan 0.000 0.533 306 V N 1.581 121.489 119.914 -0.010 0.000 2.461 306 V HA 0.382 4.502 4.120 0.001 0.000 0.275 306 V C 0.291 176.395 176.094 0.017 0.000 1.047 306 V CA -0.586 61.715 62.300 0.000 0.000 0.955 306 V CB 1.761 33.582 31.823 -0.003 0.000 0.988 306 V HN 0.328 nan 8.190 nan 0.000 0.471 307 D N 4.531 124.941 120.400 0.017 0.000 2.393 307 D HA 0.186 4.826 4.640 0.001 0.000 0.232 307 D C 0.926 177.243 176.300 0.028 0.000 1.192 307 D CA 0.001 54.019 54.000 0.030 0.000 0.882 307 D CB 1.183 41.996 40.800 0.021 0.000 1.038 307 D HN 0.458 nan 8.370 nan 0.000 0.499 308 L N 3.969 125.218 121.223 0.044 0.000 2.141 308 L HA -0.145 4.195 4.340 0.001 0.000 0.209 308 L C 2.137 178.993 176.870 -0.024 0.000 1.094 308 L CA 0.444 55.293 54.840 0.015 0.000 0.763 308 L CB -0.116 41.960 42.059 0.028 0.000 0.908 308 L HN 0.510 nan 8.230 nan 0.000 0.437 309 I N 0.029 120.572 120.570 -0.046 0.000 2.252 309 I HA -0.243 3.928 4.170 0.001 0.000 0.245 309 I C 2.421 178.543 176.117 0.007 0.000 1.102 309 I CA 1.473 62.754 61.300 -0.032 0.000 1.385 309 I CB -0.986 36.971 38.000 -0.072 0.000 1.064 309 I HN 0.260 nan 8.210 nan 0.000 0.414 310 K N 0.599 121.001 120.400 0.004 0.000 2.063 310 K HA -0.187 4.133 4.320 0.001 0.000 0.208 310 K C 2.014 178.615 176.600 0.002 0.000 1.048 310 K CA 1.206 57.496 56.287 0.006 0.000 0.928 310 K CB 0.010 32.513 32.500 0.006 0.000 0.713 310 K HN 0.249 nan 8.250 nan 0.000 0.442 311 E N 0.859 121.060 120.200 0.001 0.000 2.106 311 E HA -0.189 4.161 4.350 0.001 0.000 0.192 311 E C 2.026 178.620 176.600 -0.010 0.000 0.984 311 E CA 1.100 57.499 56.400 -0.002 0.000 0.806 311 E CB -0.085 29.618 29.700 0.004 0.000 0.750 311 E HN 0.390 nan 8.360 nan 0.000 0.458 312 Q N 0.171 119.964 119.800 -0.013 0.000 2.096 312 Q HA -0.124 4.217 4.340 0.001 0.000 0.204 312 Q C 2.437 178.402 176.000 -0.059 0.000 0.982 312 Q CA 1.100 56.876 55.803 -0.044 0.000 0.850 312 Q CB -0.139 28.576 28.738 -0.038 0.000 0.901 312 Q HN 0.277 nan 8.270 nan 0.000 0.422 313 L N -0.256 120.954 121.223 -0.022 0.000 2.072 313 L HA -0.147 4.194 4.340 0.001 0.000 0.205 313 L C 2.492 179.349 176.870 -0.022 0.000 1.079 313 L CA 0.976 55.805 54.840 -0.018 0.000 0.752 313 L CB -0.307 41.758 42.059 0.011 0.000 0.906 313 L HN 0.123 nan 8.230 nan 0.000 0.436 314 R N 0.202 120.693 120.500 -0.016 0.000 2.073 314 R HA -0.116 4.224 4.340 0.001 0.000 0.234 314 R C 2.317 178.605 176.300 -0.020 0.000 1.134 314 R CA 1.398 57.490 56.100 -0.014 0.000 0.952 314 R CB -0.428 29.866 30.300 -0.009 0.000 0.850 314 R HN 0.278 nan 8.270 nan 0.000 0.433 315 I N 0.686 121.240 120.570 -0.026 0.000 2.163 315 I HA -0.299 3.872 4.170 0.001 0.000 0.243 315 I C 2.583 178.674 176.117 -0.043 0.000 1.085 315 I CA 1.428 62.708 61.300 -0.032 0.000 1.347 315 I CB -0.406 37.572 38.000 -0.036 0.000 1.044 315 I HN 0.215 nan 8.210 nan 0.000 0.408 316 A N 0.540 123.325 122.820 -0.059 0.000 1.972 316 A HA -0.106 4.215 4.320 0.001 0.000 0.219 316 A C 2.342 179.905 177.584 -0.036 0.000 1.169 316 A CA 1.672 53.671 52.037 -0.063 0.000 0.635 316 A CB -0.704 18.238 19.000 -0.095 0.000 0.810 316 A HN 0.449 nan 8.150 nan 0.000 0.446 317 A N -1.772 121.032 122.820 -0.027 0.000 2.235 317 A HA 0.399 4.720 4.320 0.001 0.000 0.208 317 A C 1.763 179.337 177.584 -0.015 0.000 1.172 317 A CA 1.198 53.225 52.037 -0.016 0.000 0.786 317 A CB -1.005 17.988 19.000 -0.011 0.000 0.804 317 A HN 1.879 nan 8.150 nan 0.000 0.479 318 G N -1.383 107.405 108.800 -0.019 0.000 2.157 318 G HA2 -0.243 3.718 3.960 0.001 0.000 0.248 318 G HA3 -0.243 3.718 3.960 0.001 0.000 0.248 318 G C 0.022 174.914 174.900 -0.014 0.000 0.979 318 G CA 0.215 45.305 45.100 -0.017 0.000 0.650 318 G HN 0.620 nan 8.290 nan 0.000 0.529 319 Q N 1.383 121.175 119.800 -0.014 0.000 2.304 319 Q HA 0.378 4.718 4.340 0.001 0.000 0.260 319 Q C -1.949 174.045 176.000 -0.010 0.000 0.965 319 Q CA -1.516 54.281 55.803 -0.011 0.000 0.898 319 Q CB 1.401 30.133 28.738 -0.010 0.000 1.196 319 Q HN 0.318 nan 8.270 nan 0.000 0.402 320 P HA 0.002 nan 4.420 nan 0.000 0.272 320 P C -0.487 176.810 177.300 -0.006 0.000 1.240 320 P CA -0.153 62.943 63.100 -0.006 0.000 0.791 320 P CB 0.708 32.405 31.700 -0.005 0.000 0.978 321 L N 1.407 122.628 121.223 -0.004 0.000 2.513 321 L HA -0.017 4.323 4.340 0.001 0.000 0.272 321 L C 1.826 178.690 176.870 -0.010 0.000 1.187 321 L CA 0.242 55.079 54.840 -0.006 0.000 0.895 321 L CB -0.019 42.038 42.059 -0.004 0.000 1.147 321 L HN 0.502 nan 8.230 nan 0.000 0.483 322 S N 2.751 118.443 115.700 -0.012 0.000 2.486 322 S HA 0.183 4.653 4.470 0.001 0.000 0.220 322 S C 0.604 175.192 174.600 -0.021 0.000 1.011 322 S CA -0.268 57.924 58.200 -0.014 0.000 0.921 322 S CB -0.052 63.142 63.200 -0.011 0.000 0.785 322 S HN 0.460 nan 8.310 nan 0.000 0.517 323 I N 2.629 123.183 120.570 -0.027 0.000 2.396 323 I HA 0.302 4.472 4.170 0.001 0.000 0.289 323 I C -0.067 176.016 176.117 -0.056 0.000 1.056 323 I CA -0.479 60.795 61.300 -0.043 0.000 1.365 323 I CB 0.676 38.647 38.000 -0.048 0.000 1.407 323 I HN -0.066 nan 8.210 nan 0.000 0.509 324 K N 3.930 124.290 120.400 -0.066 0.000 2.087 324 K HA 0.183 4.504 4.320 0.001 0.000 0.255 324 K C 0.675 177.197 176.600 -0.130 0.000 0.988 324 K CA -0.497 55.744 56.287 -0.077 0.000 0.915 324 K CB 0.826 33.292 32.500 -0.058 0.000 1.043 324 K HN 0.333 nan 8.250 nan 0.000 0.457 325 Q N 1.906 121.619 119.800 -0.146 0.000 2.135 325 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 325 Q C 1.294 177.139 176.000 -0.259 0.000 0.981 325 Q CA 2.017 57.676 55.803 -0.239 0.000 0.856 325 Q CB -0.027 28.585 28.738 -0.209 0.000 0.902 325 Q HN 0.729 nan 8.270 nan 0.000 0.425 326 E N -0.392 119.706 120.200 -0.170 0.000 2.209 326 E HA -0.237 4.114 4.350 0.001 0.000 0.196 326 E C 1.125 177.575 176.600 -0.250 0.000 0.993 326 E CA 1.504 57.816 56.400 -0.148 0.000 0.819 326 E CB -0.234 29.432 29.700 -0.056 0.000 0.745 326 E HN 0.545 nan 8.360 nan 0.000 0.477 327 E N 0.745 120.800 120.200 -0.241 0.000 2.478 327 E HA 0.074 4.425 4.350 0.001 0.000 0.194 327 E C -0.229 176.127 176.600 -0.406 0.000 1.045 327 E CA -0.065 56.197 56.400 -0.230 0.000 0.868 327 E CB 0.847 30.491 29.700 -0.094 0.000 0.885 327 E HN 0.028 nan 8.360 nan 0.000 0.505 328 V N 1.877 121.493 119.914 -0.496 0.000 2.408 328 V HA 0.157 4.278 4.120 0.001 0.000 0.267 328 V C -0.601 175.154 176.094 -0.564 0.000 1.047 328 V CA -0.221 61.830 62.300 -0.415 0.000 0.937 328 V CB 0.374 31.993 31.823 -0.340 0.000 0.999 328 V HN 0.186 nan 8.190 nan 0.000 0.472 329 H N 1.902 120.943 119.070 -0.047 0.000 2.667 329 H HA 0.506 5.062 4.556 0.001 0.000 0.353 329 H C -0.623 174.703 175.328 -0.003 0.000 1.072 329 H CA -0.863 55.172 56.048 -0.021 0.000 1.214 329 H CB 1.936 31.693 29.762 -0.008 0.000 1.600 329 H HN 0.441 nan 8.280 nan 0.000 0.527 330 V N 3.837 123.827 119.914 0.128 0.000 2.470 330 V HA 0.178 4.299 4.120 0.001 0.000 0.276 330 V C 0.327 176.486 176.094 0.109 0.000 1.040 330 V CA 0.118 62.474 62.300 0.094 0.000 1.008 330 V CB 0.315 32.181 31.823 0.072 0.000 0.990 330 V HN 0.680 nan 8.190 nan 0.000 0.477 331 R N 3.766 124.340 120.500 0.123 0.000 2.532 331 R HA 0.601 4.942 4.340 0.001 0.000 0.297 331 R C 0.375 176.819 176.300 0.240 0.000 0.984 331 R CA 0.517 56.705 56.100 0.147 0.000 0.884 331 R CB 1.672 32.055 30.300 0.138 0.000 1.182 331 R HN 1.009 nan 8.270 nan 0.000 0.442 332 G N 2.351 111.244 108.800 0.155 0.000 2.598 332 G HA2 -0.311 3.650 3.960 0.001 0.000 0.244 332 G HA3 -0.311 3.650 3.960 0.001 0.000 0.244 332 G C -1.166 173.773 174.900 0.065 0.000 1.302 332 G CA 0.257 45.379 45.100 0.037 0.000 0.903 332 G HN 0.843 nan 8.290 nan 0.000 0.575 333 H N -0.835 118.104 119.070 -0.219 0.000 3.038 333 H HA 0.686 5.242 4.556 0.001 0.000 0.362 333 H C -0.142 175.144 175.328 -0.069 0.000 1.167 333 H CA 0.406 56.394 56.048 -0.100 0.000 1.197 333 H CB 1.573 31.255 29.762 -0.133 0.000 1.840 333 H HN 1.444 nan 8.280 nan 0.000 0.540 334 A N 3.488 126.280 122.820 -0.047 0.000 2.414 334 A HA 0.683 5.003 4.320 0.001 0.000 0.306 334 A C -1.447 176.194 177.584 0.095 0.000 1.054 334 A CA -0.580 51.519 52.037 0.103 0.000 0.724 334 A CB 1.414 20.497 19.000 0.139 0.000 1.267 334 A HN 0.416 nan 8.150 nan 0.000 0.418 335 V N 1.495 121.501 119.914 0.154 0.000 2.604 335 V HA 0.558 4.678 4.120 0.001 0.000 0.305 335 V C -0.179 175.988 176.094 0.122 0.000 1.043 335 V CA -0.522 61.881 62.300 0.171 0.000 0.888 335 V CB 1.757 33.727 31.823 0.244 0.000 0.995 335 V HN 0.981 nan 8.190 nan 0.000 0.429 336 E N 2.709 122.968 120.200 0.098 0.000 2.187 336 E HA 0.488 4.838 4.350 0.001 0.000 0.268 336 E C -1.585 175.056 176.600 0.068 0.000 0.896 336 E CA -0.462 55.979 56.400 0.068 0.000 0.766 336 E CB 1.651 31.365 29.700 0.023 0.000 1.142 336 E HN 0.741 nan 8.360 nan 0.000 0.408 337 C N 4.902 124.248 119.300 0.077 0.000 2.264 337 C HA 0.438 4.899 4.460 0.001 0.000 0.324 337 C C 0.204 175.240 174.990 0.077 0.000 1.267 337 C CA -0.707 58.352 59.018 0.070 0.000 1.618 337 C CB -0.024 27.765 27.740 0.081 0.000 2.278 337 C HN 0.720 nan 8.230 nan 0.000 0.499 338 R N 3.141 123.674 120.500 0.056 0.000 2.442 338 R HA 0.339 4.679 4.340 0.001 0.000 0.291 338 R C -0.378 175.977 176.300 0.091 0.000 1.069 338 R CA 0.012 56.144 56.100 0.054 0.000 1.022 338 R CB 0.395 30.717 30.300 0.036 0.000 0.976 338 R HN 0.554 nan 8.270 nan 0.000 0.443 339 I N 3.550 124.183 120.570 0.106 0.000 2.307 339 I HA 0.219 4.389 4.170 0.001 0.000 0.289 339 I C -0.402 175.788 176.117 0.122 0.000 1.021 339 I CA -0.708 60.680 61.300 0.147 0.000 1.224 339 I CB 0.926 39.075 38.000 0.249 0.000 1.376 339 I HN 0.513 nan 8.210 nan 0.000 0.470 340 N N 3.899 122.672 118.700 0.121 0.000 2.361 340 N HA 0.556 5.296 4.740 0.001 0.000 0.302 340 N C -0.020 175.553 175.510 0.106 0.000 1.074 340 N CA -0.543 52.577 53.050 0.116 0.000 0.850 340 N CB 1.994 40.557 38.487 0.126 0.000 1.228 340 N HN 0.658 nan 8.380 nan 0.000 0.491 341 A N 1.926 124.805 122.820 0.098 0.000 2.915 341 A HA 0.287 4.607 4.320 0.001 0.000 0.292 341 A C -0.203 177.420 177.584 0.065 0.000 1.632 341 A CA -0.011 52.072 52.037 0.075 0.000 1.337 341 A CB -0.884 18.158 19.000 0.070 0.000 1.111 341 A HN 0.746 nan 8.150 nan 0.000 0.569 342 E N 0.806 121.042 120.200 0.060 0.000 2.423 342 E HA 0.253 4.604 4.350 0.001 0.000 0.280 342 E C -1.622 174.969 176.600 -0.016 0.000 1.030 342 E CA -1.010 55.422 56.400 0.053 0.000 0.812 342 E CB 0.744 30.524 29.700 0.134 0.000 1.313 342 E HN 0.231 nan 8.360 nan 0.000 0.456 343 D N 1.965 122.325 120.400 -0.067 0.000 2.425 343 D HA 0.044 4.684 4.640 0.001 0.000 0.247 343 D C -1.270 174.810 176.300 -0.366 0.000 1.147 343 D CA -1.608 52.297 54.000 -0.158 0.000 0.879 343 D CB 1.263 41.981 40.800 -0.137 0.000 1.179 343 D HN 0.218 nan 8.370 nan 0.000 0.456 344 P HA -0.065 nan 4.420 nan 0.000 0.234 344 P C 0.358 177.289 177.300 -0.615 0.000 1.167 344 P CA 0.752 63.610 63.100 -0.402 0.000 0.763 344 P CB 0.586 32.178 31.700 -0.180 0.000 0.835 345 N N -1.037 117.334 118.700 -0.548 0.000 2.606 345 N HA -0.008 4.732 4.740 0.001 0.000 0.208 345 N C 1.682 176.966 175.510 -0.377 0.000 1.046 345 N CA 1.566 54.375 53.050 -0.402 0.000 0.891 345 N CB -0.351 38.028 38.487 -0.180 0.000 1.344 345 N HN 0.207 nan 8.380 nan 0.000 0.437 346 T N -2.264 112.111 114.554 -0.298 0.000 3.037 346 T HA 0.173 4.523 4.350 0.001 0.000 0.251 346 T C 0.422 175.192 174.700 0.118 0.000 1.079 346 T CA -0.075 61.999 62.100 -0.044 0.000 1.067 346 T CB -0.238 68.619 68.868 -0.019 0.000 0.948 346 T HN 0.113 nan 8.240 nan 0.000 0.496 347 F N -0.512 119.442 119.950 0.007 0.000 3.034 347 F HA -0.137 4.390 4.527 0.001 0.000 0.286 347 F C 0.245 176.050 175.800 0.008 0.000 0.804 347 F CA -0.302 57.704 58.000 0.010 0.000 1.161 347 F CB -2.417 36.591 39.000 0.013 0.000 1.317 347 F HN 0.320 nan 8.300 nan 0.000 0.453 348 L N 3.180 124.458 121.223 0.093 0.000 2.462 348 L HA 0.395 4.735 4.340 0.001 0.000 0.272 348 L C -1.797 175.101 176.870 0.046 0.000 1.166 348 L CA -1.276 53.599 54.840 0.058 0.000 0.880 348 L CB 0.166 42.237 42.059 0.021 0.000 1.142 348 L HN -0.279 nan 8.230 nan 0.000 0.473 349 P HA 0.007 nan 4.420 nan 0.000 0.265 349 P C -1.004 176.301 177.300 0.009 0.000 1.187 349 P CA 0.135 63.255 63.100 0.034 0.000 0.766 349 P CB 0.643 32.355 31.700 0.019 0.000 0.820 350 S N 3.197 118.903 115.700 0.011 0.000 2.060 350 S HA 0.358 4.828 4.470 0.001 0.000 0.156 350 S C -2.431 172.161 174.600 -0.013 0.000 1.690 350 S CA -1.722 56.475 58.200 -0.005 0.000 1.238 350 S CB -0.294 62.906 63.200 0.000 0.000 1.150 350 S HN 0.224 nan 8.310 nan 0.000 0.437 351 P HA 0.638 nan 4.420 nan 0.000 0.274 351 P C 0.383 177.639 177.300 -0.072 0.000 1.246 351 P CA 0.272 63.336 63.100 -0.061 0.000 0.795 351 P CB 0.947 32.581 31.700 -0.110 0.000 1.006 352 G N -0.428 108.315 108.800 -0.096 0.000 2.369 352 G HA2 0.046 4.007 3.960 0.001 0.000 0.307 352 G HA3 0.046 4.007 3.960 0.001 0.000 0.307 352 G C -1.539 173.290 174.900 -0.119 0.000 1.327 352 G CA -0.879 44.163 45.100 -0.096 0.000 0.963 352 G HN 0.655 nan 8.290 nan 0.000 0.590 353 K N 0.175 120.517 120.400 -0.096 0.000 2.339 353 K HA 0.490 4.810 4.320 0.001 0.000 0.286 353 K C 0.296 176.863 176.600 -0.054 0.000 1.050 353 K CA -0.483 55.746 56.287 -0.098 0.000 0.956 353 K CB 0.226 32.690 32.500 -0.060 0.000 0.990 353 K HN 0.349 nan 8.250 nan 0.000 0.475 354 I N 5.145 125.682 120.570 -0.055 0.000 2.363 354 I HA -0.035 4.135 4.170 0.001 0.000 0.292 354 I C 1.517 177.661 176.117 0.045 0.000 1.075 354 I CA -0.105 61.201 61.300 0.010 0.000 1.333 354 I CB 1.129 39.139 38.000 0.016 0.000 1.415 354 I HN 0.818 nan 8.210 nan 0.000 0.502 355 T N 2.810 117.398 114.554 0.057 0.000 3.044 355 T HA 0.102 4.453 4.350 0.001 0.000 0.255 355 T C 0.841 175.596 174.700 0.092 0.000 1.073 355 T CA 0.081 62.219 62.100 0.063 0.000 1.125 355 T CB 0.231 69.124 68.868 0.041 0.000 0.908 355 T HN 0.537 nan 8.240 nan 0.000 0.480 356 R N -0.296 120.273 120.500 0.115 0.000 2.564 356 R HA 0.606 4.947 4.340 0.001 0.000 0.284 356 R C -2.330 174.107 176.300 0.228 0.000 1.031 356 R CA -1.021 55.162 56.100 0.138 0.000 0.904 356 R CB 1.650 31.997 30.300 0.078 0.000 1.199 356 R HN 0.302 nan 8.270 nan 0.000 0.443 357 F N 3.330 123.325 119.950 0.076 0.000 2.561 357 F HA 0.450 4.977 4.527 0.001 0.000 0.313 357 F C -1.571 174.291 175.800 0.104 0.000 1.126 357 F CA -0.622 57.422 58.000 0.074 0.000 0.918 357 F CB 1.742 40.794 39.000 0.087 0.000 1.199 357 F HN 0.710 nan 8.300 nan 0.000 0.444 358 H N 4.113 122.599 119.070 -0.974 0.000 2.877 358 H HA 0.706 5.263 4.556 0.001 0.000 0.347 358 H C -1.261 173.331 175.328 -1.227 0.000 1.042 358 H CA -0.327 55.155 56.048 -0.944 0.000 1.276 358 H CB 1.752 31.256 29.762 -0.431 0.000 1.681 358 H HN 0.897 nan 8.280 nan 0.000 0.521 359 A N 5.947 127.857 122.820 -1.516 0.000 2.327 359 A HA 0.475 4.796 4.320 0.001 0.000 0.283 359 A C -2.322 174.794 177.584 -0.780 0.000 1.127 359 A CA -1.409 49.910 52.037 -1.197 0.000 0.810 359 A CB -0.050 18.403 19.000 -0.912 0.000 1.066 359 A HN 0.614 nan 8.150 nan 0.000 0.492 360 P HA 0.435 nan 4.420 nan 0.000 0.274 360 P C 0.189 177.388 177.300 -0.168 0.000 1.237 360 P CA 0.148 63.087 63.100 -0.268 0.000 0.793 360 P CB 1.376 32.969 31.700 -0.178 0.000 0.977 361 G N -1.148 107.610 108.800 -0.070 0.000 3.176 361 G HA2 0.759 4.719 3.960 0.001 0.000 0.272 361 G HA3 0.759 4.719 3.960 0.001 0.000 0.272 361 G C -0.481 174.446 174.900 0.046 0.000 1.349 361 G CA -0.633 44.465 45.100 -0.004 0.000 0.953 361 G HN 0.820 nan 8.290 nan 0.000 0.559 362 G N -2.091 106.759 108.800 0.083 0.000 2.440 362 G HA2 0.385 4.345 3.960 0.001 0.000 0.684 362 G HA3 0.385 4.345 3.960 0.001 0.000 0.684 362 G C -0.854 174.175 174.900 0.214 0.000 1.309 362 G CA -0.476 44.701 45.100 0.128 0.000 0.931 362 G HN 1.316 nan 8.290 nan 0.000 0.612 363 F N 2.062 122.044 119.950 0.052 0.000 2.543 363 F HA 0.465 4.993 4.527 0.001 0.000 0.375 363 F C 1.604 177.462 175.800 0.097 0.000 1.075 363 F CA 0.809 58.851 58.000 0.069 0.000 1.225 363 F CB 0.634 39.671 39.000 0.062 0.000 1.099 363 F HN 2.187 nan 8.300 nan 0.000 0.561 364 G N 3.873 112.653 108.800 -0.034 0.000 2.148 364 G HA2 -0.189 3.771 3.960 0.001 0.000 0.254 364 G HA3 -0.189 3.771 3.960 0.001 0.000 0.254 364 G C -0.464 174.473 174.900 0.062 0.000 0.981 364 G CA 0.162 45.216 45.100 -0.077 0.000 0.670 364 G HN 0.772 nan 8.290 nan 0.000 0.528 365 V N 1.039 121.013 119.914 0.100 0.000 2.350 365 V HA 0.620 4.741 4.120 0.001 0.000 0.276 365 V C 0.600 176.778 176.094 0.139 0.000 1.028 365 V CA -0.555 61.815 62.300 0.116 0.000 0.860 365 V CB 1.495 33.381 31.823 0.104 0.000 0.990 365 V HN 0.455 nan 8.190 nan 0.000 0.453 366 R N 5.237 125.829 120.500 0.154 0.000 2.393 366 R HA 0.342 4.682 4.340 0.001 0.000 0.315 366 R C -1.356 175.096 176.300 0.252 0.000 0.952 366 R CA -0.593 55.604 56.100 0.162 0.000 0.842 366 R CB 1.365 31.720 30.300 0.092 0.000 1.163 366 R HN 0.827 nan 8.270 nan 0.000 0.450 367 W N 6.366 127.693 121.300 0.045 0.000 2.417 367 W HA 0.320 4.980 4.660 0.001 0.000 0.315 367 W C -1.246 175.308 176.519 0.059 0.000 1.045 367 W CA -0.606 56.775 57.345 0.059 0.000 1.221 367 W CB 1.698 31.202 29.460 0.074 0.000 1.309 367 W HN 0.528 nan 8.180 nan 0.000 0.453 368 E N 4.850 124.715 120.200 -0.558 0.000 2.256 368 E HA 0.253 4.603 4.350 0.001 0.000 0.243 368 E C -1.058 175.086 176.600 -0.760 0.000 0.925 368 E CA -0.138 55.966 56.400 -0.494 0.000 0.748 368 E CB 1.723 31.267 29.700 -0.260 0.000 1.206 368 E HN 0.313 nan 8.360 nan 0.000 0.428 369 S N 1.342 116.612 115.700 -0.716 0.000 2.543 369 S HA 0.161 4.631 4.470 0.001 0.000 0.274 369 S C 0.287 174.764 174.600 -0.206 0.000 1.149 369 S CA -0.652 57.229 58.200 -0.531 0.000 0.866 369 S CB 0.571 63.253 63.200 -0.863 0.000 1.111 369 S HN 0.593 nan 8.310 nan 0.000 0.457 370 H N 3.365 122.309 119.070 -0.211 0.000 2.548 370 H HA 0.264 4.820 4.556 0.001 0.000 0.265 370 H C 0.973 176.155 175.328 -0.244 0.000 0.969 370 H CA 0.200 56.144 56.048 -0.173 0.000 1.155 370 H CB -0.700 28.950 29.762 -0.187 0.000 1.394 370 H HN 0.662 nan 8.280 nan 0.000 0.570 371 I N -0.081 120.068 120.570 -0.701 0.000 2.696 371 I HA 0.337 4.507 4.170 0.001 0.000 0.284 371 I C -0.677 175.131 176.117 -0.514 0.000 1.129 371 I CA -0.902 59.960 61.300 -0.731 0.000 1.410 371 I CB 0.577 38.191 38.000 -0.642 0.000 1.399 371 I HN 0.030 nan 8.210 nan 0.000 0.579 372 Y N 3.265 123.336 120.300 -0.381 0.000 2.625 372 Y HA 0.785 5.335 4.550 0.001 0.000 0.338 372 Y C -0.439 175.497 175.900 0.060 0.000 1.123 372 Y CA -1.627 56.393 58.100 -0.134 0.000 1.046 372 Y CB 0.540 39.004 38.460 0.007 0.000 1.299 372 Y HN 0.812 nan 8.280 nan 0.000 0.464 373 A N 1.091 124.146 122.820 0.393 0.000 2.524 373 A HA 0.467 4.787 4.320 0.001 0.000 0.250 373 A C 1.341 179.092 177.584 0.278 0.000 1.078 373 A CA 0.903 53.118 52.037 0.298 0.000 0.761 373 A CB -1.277 17.902 19.000 0.298 0.000 1.012 373 A HN 2.198 nan 8.150 nan 0.000 0.500 374 G N 0.812 109.699 108.800 0.145 0.000 2.232 374 G HA2 -0.252 3.708 3.960 0.001 0.000 0.226 374 G HA3 -0.252 3.708 3.960 0.001 0.000 0.226 374 G C 0.172 175.089 174.900 0.027 0.000 0.996 374 G CA 0.335 45.512 45.100 0.127 0.000 0.626 374 G HN 1.532 nan 8.290 nan 0.000 0.509 375 Y N 2.880 122.967 120.300 -0.354 0.000 2.359 375 Y HA 0.561 5.111 4.550 0.001 0.000 0.330 375 Y C 0.402 176.152 175.900 -0.251 0.000 1.143 375 Y CA 0.616 58.381 58.100 -0.558 0.000 1.318 375 Y CB 1.028 38.753 38.460 -1.226 0.000 1.234 375 Y HN 0.055 nan 8.280 nan 0.000 0.522 376 T N 6.766 120.786 114.554 -0.890 0.000 2.744 376 T HA 0.299 4.650 4.350 0.001 0.000 0.291 376 T C -0.681 173.419 174.700 -1.000 0.000 0.957 376 T CA -0.586 61.103 62.100 -0.684 0.000 1.002 376 T CB 0.399 69.065 68.868 -0.336 0.000 0.919 376 T HN 0.479 nan 8.240 nan 0.000 0.468 377 V N 8.082 127.675 119.914 -0.535 0.000 2.446 377 V HA 0.176 4.296 4.120 0.001 0.000 0.276 377 V C -1.912 174.111 176.094 -0.118 0.000 1.030 377 V CA -1.500 60.676 62.300 -0.206 0.000 1.033 377 V CB 0.043 31.854 31.823 -0.020 0.000 0.993 377 V HN 0.694 nan 8.190 nan 0.000 0.477 378 P HA 0.256 nan 4.420 nan 0.000 0.277 378 P C -2.061 175.133 177.300 -0.176 0.000 1.240 378 P CA -1.831 61.251 63.100 -0.029 0.000 0.798 378 P CB 0.301 32.186 31.700 0.308 0.000 0.979 379 P HA -0.027 nan 4.420 nan 0.000 0.245 379 P C 0.405 177.409 177.300 -0.494 0.000 1.212 379 P CA 0.994 63.814 63.100 -0.466 0.000 0.774 379 P CB -0.111 31.282 31.700 -0.510 0.000 0.999 380 Y N -1.649 118.452 120.300 -0.331 0.000 2.519 380 Y HA 0.067 4.617 4.550 0.001 0.000 0.287 380 Y C 1.162 176.687 175.900 -0.625 0.000 1.128 380 Y CA 0.173 57.904 58.100 -0.615 0.000 1.282 380 Y CB -0.402 37.452 38.460 -1.010 0.000 1.027 380 Y HN -0.069 nan 8.280 nan 0.000 0.551 381 Y N -1.023 119.404 120.300 0.212 0.000 2.876 381 Y HA 0.323 4.874 4.550 0.001 0.000 0.318 381 Y C -0.032 175.931 175.900 0.104 0.000 1.275 381 Y CA -2.057 56.153 58.100 0.184 0.000 1.144 381 Y CB 0.123 38.720 38.460 0.228 0.000 1.376 381 Y HN -0.334 nan 8.280 nan 0.000 0.589 382 D N -0.272 120.290 120.400 0.270 0.000 2.362 382 D HA 0.050 4.690 4.640 0.001 0.000 0.238 382 D C 0.990 177.382 176.300 0.152 0.000 1.212 382 D CA 0.721 54.810 54.000 0.148 0.000 0.902 382 D CB 0.924 41.783 40.800 0.098 0.000 1.180 382 D HN 0.536 nan 8.370 nan 0.000 0.445 383 S N 1.900 117.668 115.700 0.113 0.000 2.461 383 S HA -0.070 4.400 4.470 0.001 0.000 0.228 383 S C 1.159 175.833 174.600 0.124 0.000 1.005 383 S CA -0.065 58.202 58.200 0.112 0.000 0.942 383 S CB -0.181 63.079 63.200 0.099 0.000 0.776 383 S HN 0.564 nan 8.310 nan 0.000 0.514 384 M N 2.740 122.412 119.600 0.120 0.000 2.307 384 M HA 0.248 4.729 4.480 0.001 0.000 0.346 384 M C 0.551 176.944 176.300 0.157 0.000 1.552 384 M CA 0.001 55.371 55.300 0.116 0.000 1.116 384 M CB 0.396 33.049 32.600 0.089 0.000 1.889 384 M HN 0.520 nan 8.290 nan 0.000 0.460 385 I N 1.390 122.039 120.570 0.132 0.000 4.181 385 I HA 0.571 4.742 4.170 0.001 0.000 0.331 385 I C 0.539 176.646 176.117 -0.016 0.000 1.312 385 I CA -0.263 61.112 61.300 0.124 0.000 1.146 385 I CB 0.435 38.474 38.000 0.065 0.000 1.074 385 I HN 0.625 nan 8.210 nan 0.000 0.402 386 G N 1.109 109.887 108.800 -0.036 0.000 2.523 386 G HA2 0.540 4.501 3.960 0.001 0.000 0.291 386 G HA3 0.540 4.501 3.960 0.001 0.000 0.291 386 G C -1.949 172.827 174.900 -0.208 0.000 1.450 386 G CA -0.887 44.049 45.100 -0.272 0.000 0.790 386 G HN 0.065 nan 8.290 nan 0.000 0.496 387 K N -0.015 120.154 120.400 -0.385 0.000 2.507 387 K HA 0.519 4.839 4.320 0.001 0.000 0.251 387 K C -1.612 174.937 176.600 -0.086 0.000 0.943 387 K CA -0.833 55.361 56.287 -0.156 0.000 0.794 387 K CB 2.887 35.311 32.500 -0.126 0.000 1.188 387 K HN 0.315 nan 8.250 nan 0.000 0.428 388 L N 4.544 125.866 121.223 0.166 0.000 2.280 388 L HA 0.500 4.841 4.340 0.001 0.000 0.287 388 L C -1.437 175.537 176.870 0.173 0.000 1.023 388 L CA -0.515 54.515 54.840 0.317 0.000 0.819 388 L CB 0.750 43.055 42.059 0.410 0.000 1.212 388 L HN 0.525 nan 8.230 nan 0.000 0.420 389 I N 5.051 125.712 120.570 0.152 0.000 2.389 389 I HA 0.408 4.579 4.170 0.001 0.000 0.288 389 I C -0.681 175.511 176.117 0.125 0.000 0.999 389 I CA -0.032 61.332 61.300 0.106 0.000 1.129 389 I CB 1.544 39.575 38.000 0.052 0.000 1.288 389 I HN 0.494 nan 8.210 nan 0.000 0.444 390 C N 5.454 124.829 119.300 0.125 0.000 2.379 390 C HA 0.529 4.989 4.460 0.001 0.000 0.323 390 C C -0.489 174.584 174.990 0.139 0.000 1.262 390 C CA -0.836 58.254 59.018 0.120 0.000 1.581 390 C CB 0.747 28.545 27.740 0.096 0.000 2.221 390 C HN 0.686 nan 8.230 nan 0.000 0.497 391 Y N 1.650 121.937 120.300 -0.021 0.000 2.409 391 Y HA 0.758 5.308 4.550 0.001 0.000 0.339 391 Y C 0.190 176.033 175.900 -0.096 0.000 1.033 391 Y CA 0.098 58.171 58.100 -0.044 0.000 1.094 391 Y CB 1.494 39.912 38.460 -0.070 0.000 1.210 391 Y HN 0.817 nan 8.280 nan 0.000 0.456 392 G N 3.384 111.655 108.800 -0.882 0.000 2.695 392 G HA2 0.222 4.182 3.960 0.001 0.000 0.290 392 G HA3 0.222 4.182 3.960 0.001 0.000 0.290 392 G C -0.400 173.963 174.900 -0.894 0.000 1.410 392 G CA -0.638 44.026 45.100 -0.728 0.000 0.844 392 G HN 0.658 nan 8.290 nan 0.000 0.478 393 E N -0.604 119.324 120.200 -0.455 0.000 2.333 393 E HA -0.099 4.252 4.350 0.001 0.000 0.198 393 E C 0.404 176.895 176.600 -0.181 0.000 1.007 393 E CA 1.159 57.412 56.400 -0.245 0.000 0.845 393 E CB -0.246 29.401 29.700 -0.088 0.000 0.766 393 E HN 0.532 nan 8.360 nan 0.000 0.507 394 N N -1.123 117.457 118.700 -0.200 0.000 2.853 394 N HA 0.170 4.910 4.740 0.001 0.000 0.258 394 N C 0.182 175.565 175.510 -0.212 0.000 1.444 394 N CA -0.843 52.113 53.050 -0.157 0.000 0.837 394 N CB 1.085 39.494 38.487 -0.130 0.000 1.489 394 N HN -0.182 nan 8.380 nan 0.000 0.529 395 R N -0.584 119.708 120.500 -0.347 0.000 2.091 395 R HA -0.130 4.210 4.340 0.001 0.000 0.238 395 R C 0.149 176.258 176.300 -0.317 0.000 1.136 395 R CA 1.907 57.651 56.100 -0.592 0.000 0.959 395 R CB -0.394 29.349 30.300 -0.929 0.000 0.856 395 R HN 0.630 nan 8.270 nan 0.000 0.437 396 D N -0.247 120.011 120.400 -0.237 0.000 2.117 396 D HA -0.134 4.507 4.640 0.001 0.000 0.197 396 D C 1.918 178.156 176.300 -0.104 0.000 0.987 396 D CA 1.224 55.133 54.000 -0.152 0.000 0.829 396 D CB -0.157 40.569 40.800 -0.122 0.000 0.961 396 D HN 0.099 nan 8.370 nan 0.000 0.460 397 V N 1.382 121.226 119.914 -0.116 0.000 2.358 397 V HA -0.214 3.907 4.120 0.001 0.000 0.246 397 V C 2.535 178.576 176.094 -0.088 0.000 1.047 397 V CA 1.699 63.941 62.300 -0.098 0.000 1.035 397 V CB -0.815 30.932 31.823 -0.126 0.000 0.658 397 V HN 0.175 nan 8.190 nan 0.000 0.452 398 A N -0.018 122.738 122.820 -0.108 0.000 1.908 398 A HA -0.193 4.128 4.320 0.001 0.000 0.218 398 A C 2.192 179.792 177.584 0.026 0.000 1.181 398 A CA 2.041 54.052 52.037 -0.043 0.000 0.627 398 A CB -0.540 18.465 19.000 0.009 0.000 0.818 398 A HN 0.510 nan 8.150 nan 0.000 0.445 399 I N -0.443 120.140 120.570 0.020 0.000 2.202 399 I HA -0.241 3.930 4.170 0.001 0.000 0.242 399 I C 2.987 179.145 176.117 0.069 0.000 1.091 399 I CA 0.958 62.311 61.300 0.089 0.000 1.368 399 I CB -0.341 37.706 38.000 0.078 0.000 1.058 399 I HN 0.352 nan 8.210 nan 0.000 0.410 400 A N 0.886 123.721 122.820 0.026 0.000 1.908 400 A HA -0.234 4.086 4.320 0.001 0.000 0.218 400 A C 2.383 179.985 177.584 0.031 0.000 1.181 400 A CA 1.688 53.740 52.037 0.024 0.000 0.627 400 A CB -0.614 18.389 19.000 0.004 0.000 0.818 400 A HN 0.320 nan 8.150 nan 0.000 0.445 401 R N -1.939 118.576 120.500 0.024 0.000 2.092 401 R HA -0.097 4.244 4.340 0.001 0.000 0.231 401 R C 2.193 178.523 176.300 0.051 0.000 1.119 401 R CA 1.589 57.709 56.100 0.033 0.000 0.970 401 R CB -0.345 29.966 30.300 0.018 0.000 0.864 401 R HN 0.568 nan 8.270 nan 0.000 0.440 402 M N 1.367 121.007 119.600 0.066 0.000 2.086 402 M HA -0.146 4.335 4.480 0.001 0.000 0.261 402 M C 1.596 177.935 176.300 0.065 0.000 1.067 402 M CA 1.798 57.146 55.300 0.080 0.000 1.116 402 M CB 0.010 32.674 32.600 0.107 0.000 1.348 402 M HN -0.123 nan 8.290 nan 0.000 0.407 403 K N -0.158 120.279 120.400 0.063 0.000 2.044 403 K HA -0.184 4.136 4.320 0.001 0.000 0.210 403 K C 1.837 178.458 176.600 0.035 0.000 1.049 403 K CA 2.138 58.455 56.287 0.049 0.000 0.927 403 K CB -0.551 31.979 32.500 0.050 0.000 0.713 403 K HN 0.592 nan 8.250 nan 0.000 0.443 404 N N 0.351 119.071 118.700 0.034 0.000 2.084 404 N HA -0.159 4.581 4.740 0.001 0.000 0.190 404 N C 1.946 177.466 175.510 0.017 0.000 1.030 404 N CA 0.837 53.902 53.050 0.025 0.000 0.849 404 N CB -0.154 38.350 38.487 0.029 0.000 1.012 404 N HN 0.188 nan 8.380 nan 0.000 0.423 405 A N 1.474 124.309 122.820 0.025 0.000 1.902 405 A HA -0.095 4.225 4.320 0.001 0.000 0.217 405 A C 2.176 179.756 177.584 -0.007 0.000 1.181 405 A CA 1.073 53.117 52.037 0.012 0.000 0.623 405 A CB -0.741 18.284 19.000 0.043 0.000 0.818 405 A HN 0.173 nan 8.150 nan 0.000 0.443 406 L N -0.741 120.493 121.223 0.018 0.000 2.083 406 L HA -0.209 4.131 4.340 0.001 0.000 0.209 406 L C 2.826 179.694 176.870 -0.002 0.000 1.083 406 L CA 1.054 55.904 54.840 0.017 0.000 0.752 406 L CB -0.424 41.656 42.059 0.035 0.000 0.899 406 L HN 0.389 nan 8.230 nan 0.000 0.433 407 Q N -0.037 119.762 119.800 -0.002 0.000 2.167 407 Q HA -0.198 4.142 4.340 0.001 0.000 0.202 407 Q C 1.991 177.977 176.000 -0.024 0.000 0.970 407 Q CA 1.342 57.141 55.803 -0.008 0.000 0.855 407 Q CB -0.068 28.669 28.738 -0.002 0.000 0.911 407 Q HN 0.602 nan 8.270 nan 0.000 0.438 408 E N 0.200 120.381 120.200 -0.032 0.000 2.216 408 E HA -0.067 4.284 4.350 0.001 0.000 0.192 408 E C 0.270 176.824 176.600 -0.077 0.000 0.988 408 E CA -0.244 56.132 56.400 -0.041 0.000 0.834 408 E CB 0.117 29.797 29.700 -0.033 0.000 0.772 408 E HN 0.036 nan 8.360 nan 0.000 0.479 409 L N 1.971 123.124 121.223 -0.117 0.000 2.477 409 L HA 0.116 4.457 4.340 0.001 0.000 0.272 409 L C -0.625 176.184 176.870 -0.100 0.000 1.157 409 L CA 0.723 55.451 54.840 -0.187 0.000 0.889 409 L CB 0.214 42.167 42.059 -0.177 0.000 1.158 409 L HN -0.074 nan 8.230 nan 0.000 0.473 410 I N 7.045 127.541 120.570 -0.123 0.000 2.389 410 I HA 0.378 4.549 4.170 0.001 0.000 0.288 410 I C -0.588 175.582 176.117 0.088 0.000 0.999 410 I CA -0.255 61.028 61.300 -0.028 0.000 1.129 410 I CB 1.228 39.204 38.000 -0.039 0.000 1.288 410 I HN 0.498 nan 8.210 nan 0.000 0.444 411 I N 5.564 126.213 120.570 0.132 0.000 2.517 411 I HA 0.301 4.471 4.170 0.001 0.000 0.280 411 I C -1.242 174.943 176.117 0.114 0.000 1.061 411 I CA -0.515 60.906 61.300 0.200 0.000 1.091 411 I CB 1.277 39.408 38.000 0.218 0.000 1.205 411 I HN 0.407 nan 8.210 nan 0.000 0.459 412 D N 3.719 124.183 120.400 0.105 0.000 2.228 412 D HA 0.660 5.301 4.640 0.001 0.000 0.247 412 D C 0.978 177.310 176.300 0.052 0.000 0.995 412 D CA 0.272 54.309 54.000 0.063 0.000 0.903 412 D CB 2.205 43.036 40.800 0.051 0.000 1.205 412 D HN 0.750 nan 8.370 nan 0.000 0.459 413 G N 0.263 109.081 108.800 0.030 0.000 2.284 413 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 413 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 413 G C 0.271 175.173 174.900 0.005 0.000 1.009 413 G CA 0.321 45.430 45.100 0.015 0.000 0.625 413 G HN 0.624 nan 8.290 nan 0.000 0.501 414 I N -2.713 117.865 120.570 0.013 0.000 3.074 414 I HA 0.812 4.983 4.170 0.001 0.000 0.310 414 I C -0.528 175.597 176.117 0.013 0.000 1.153 414 I CA -1.669 59.635 61.300 0.007 0.000 0.993 414 I CB 1.753 39.757 38.000 0.006 0.000 1.237 414 I HN -0.227 nan 8.210 nan 0.000 0.443 415 K N 2.525 122.928 120.400 0.004 0.000 2.218 415 K HA 0.481 4.802 4.320 0.001 0.000 0.276 415 K C -0.096 176.514 176.600 0.016 0.000 1.022 415 K CA -0.177 56.110 56.287 -0.001 0.000 0.946 415 K CB 1.409 33.896 32.500 -0.022 0.000 1.000 415 K HN 0.949 nan 8.250 nan 0.000 0.468 416 T N -1.914 112.651 114.554 0.018 0.000 2.887 416 T HA 0.259 4.610 4.350 0.001 0.000 0.292 416 T C 0.579 175.290 174.700 0.020 0.000 1.087 416 T CA -0.941 61.184 62.100 0.042 0.000 1.009 416 T CB 1.019 69.933 68.868 0.077 0.000 1.203 416 T HN 0.472 nan 8.240 nan 0.000 0.518 417 N N 0.589 119.318 118.700 0.048 0.000 2.362 417 N HA 0.022 4.763 4.740 0.001 0.000 0.204 417 N C 1.321 176.859 175.510 0.048 0.000 1.166 417 N CA -0.153 52.921 53.050 0.040 0.000 0.831 417 N CB -0.588 37.966 38.487 0.112 0.000 1.008 417 N HN 0.387 nan 8.380 nan 0.000 0.472 418 V N 0.983 120.928 119.914 0.052 0.000 2.332 418 V HA -0.254 3.867 4.120 0.001 0.000 0.248 418 V C 1.686 177.797 176.094 0.028 0.000 1.055 418 V CA 2.087 64.420 62.300 0.054 0.000 1.038 418 V CB -0.447 31.411 31.823 0.058 0.000 0.651 418 V HN 0.259 nan 8.190 nan 0.000 0.450 419 D N -0.361 120.045 120.400 0.010 0.000 2.144 419 D HA -0.144 4.496 4.640 0.001 0.000 0.199 419 D C 1.926 178.225 176.300 -0.002 0.000 0.984 419 D CA 1.063 55.061 54.000 -0.002 0.000 0.834 419 D CB -0.274 40.515 40.800 -0.018 0.000 0.955 419 D HN 0.373 nan 8.370 nan 0.000 0.465 420 L N 0.894 122.116 121.223 -0.001 0.000 2.046 420 L HA -0.164 4.176 4.340 0.001 0.000 0.208 420 L C 2.030 178.910 176.870 0.017 0.000 1.077 420 L CA 1.625 56.475 54.840 0.017 0.000 0.747 420 L CB -0.421 41.670 42.059 0.053 0.000 0.896 420 L HN -0.098 nan 8.230 nan 0.000 0.432 421 Q N -0.238 119.573 119.800 0.019 0.000 2.124 421 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 421 Q C 2.364 178.353 176.000 -0.018 0.000 0.977 421 Q CA 2.099 57.901 55.803 -0.003 0.000 0.850 421 Q CB -0.346 28.408 28.738 0.026 0.000 0.901 421 Q HN 0.618 nan 8.270 nan 0.000 0.429 422 I N 0.371 120.944 120.570 0.004 0.000 2.226 422 I HA -0.293 3.877 4.170 0.001 0.000 0.245 422 I C 2.543 178.665 176.117 0.008 0.000 1.100 422 I CA 1.157 62.463 61.300 0.009 0.000 1.374 422 I CB -0.258 37.751 38.000 0.014 0.000 1.057 422 I HN 0.130 nan 8.210 nan 0.000 0.413 423 R N 0.665 121.169 120.500 0.007 0.000 2.091 423 R HA -0.148 4.192 4.340 0.001 0.000 0.238 423 R C 2.339 178.647 176.300 0.013 0.000 1.136 423 R CA 1.556 57.666 56.100 0.017 0.000 0.959 423 R CB -0.399 29.912 30.300 0.018 0.000 0.856 423 R HN 0.357 nan 8.270 nan 0.000 0.437 424 I N 0.255 120.802 120.570 -0.038 0.000 2.252 424 I HA -0.277 3.894 4.170 0.001 0.000 0.245 424 I C 2.250 178.240 176.117 -0.212 0.000 1.102 424 I CA 0.970 62.191 61.300 -0.132 0.000 1.385 424 I CB -0.194 37.660 38.000 -0.244 0.000 1.064 424 I HN 0.153 nan 8.210 nan 0.000 0.414 425 M N 0.229 119.739 119.600 -0.151 0.000 2.159 425 M HA -0.163 4.317 4.480 0.001 0.000 0.263 425 M C 1.663 178.061 176.300 0.164 0.000 1.063 425 M CA 1.566 56.878 55.300 0.021 0.000 1.110 425 M CB -1.412 31.219 32.600 0.050 0.000 1.374 425 M HN 0.254 nan 8.290 nan 0.000 0.411 426 N N 0.678 119.437 118.700 0.099 0.000 2.467 426 N HA -0.047 4.694 4.740 0.001 0.000 0.184 426 N C 0.236 175.826 175.510 0.132 0.000 1.106 426 N CA 0.252 53.365 53.050 0.105 0.000 0.892 426 N CB -0.145 38.383 38.487 0.067 0.000 0.969 426 N HN 0.400 nan 8.380 nan 0.000 0.454 427 D N 1.292 121.796 120.400 0.174 0.000 2.383 427 D HA -0.017 4.623 4.640 0.001 0.000 0.252 427 D C 0.622 177.050 176.300 0.214 0.000 1.166 427 D CA 0.163 54.288 54.000 0.208 0.000 0.879 427 D CB 1.156 42.116 40.800 0.267 0.000 1.164 427 D HN 0.164 nan 8.370 nan 0.000 0.462 428 E N 2.835 123.126 120.200 0.153 0.000 2.110 428 E HA -0.160 4.190 4.350 0.001 0.000 0.193 428 E C 1.314 177.964 176.600 0.083 0.000 0.988 428 E CA 0.669 57.132 56.400 0.105 0.000 0.804 428 E CB 0.229 29.974 29.700 0.075 0.000 0.745 428 E HN 0.512 nan 8.360 nan 0.000 0.458 429 N N 0.376 119.116 118.700 0.065 0.000 2.216 429 N HA -0.131 4.609 4.740 0.001 0.000 0.183 429 N C 1.678 177.152 175.510 -0.060 0.000 1.017 429 N CA 0.691 53.699 53.050 -0.071 0.000 0.861 429 N CB -0.276 38.042 38.487 -0.281 0.000 0.986 429 N HN 0.154 nan 8.380 nan 0.000 0.428 430 F N 2.252 122.135 119.950 -0.111 0.000 2.146 430 F HA -0.127 4.401 4.527 0.001 0.000 0.298 430 F C 2.387 178.176 175.800 -0.017 0.000 1.096 430 F CA 1.267 59.233 58.000 -0.058 0.000 1.275 430 F CB -0.046 38.962 39.000 0.014 0.000 1.008 430 F HN -0.032 nan 8.300 nan 0.000 0.480 431 Q N -0.782 118.969 119.800 -0.080 0.000 2.170 431 Q HA -0.258 4.082 4.340 0.001 0.000 0.203 431 Q C 2.245 178.133 176.000 -0.187 0.000 0.976 431 Q CA 1.569 57.267 55.803 -0.175 0.000 0.858 431 Q CB -0.557 28.184 28.738 0.004 0.000 0.907 431 Q HN 0.590 nan 8.270 nan 0.000 0.433 432 H N -0.121 118.843 119.070 -0.177 0.000 2.326 432 H HA -0.019 4.537 4.556 0.001 0.000 0.301 432 H C 0.632 175.839 175.328 -0.202 0.000 1.081 432 H CA 1.617 57.572 56.048 -0.156 0.000 1.334 432 H CB 0.150 29.848 29.762 -0.108 0.000 1.385 432 H HN 0.275 nan 8.280 nan 0.000 0.504 433 G N -1.960 106.736 108.800 -0.174 0.000 2.663 433 G HA2 0.111 4.071 3.960 0.001 0.000 0.686 433 G HA3 0.111 4.071 3.960 0.001 0.000 0.686 433 G C 0.583 175.449 174.900 -0.056 0.000 1.246 433 G CA 0.204 45.167 45.100 -0.229 0.000 0.795 433 G HN 1.070 nan 8.290 nan 0.000 0.627 434 G N -1.077 107.699 108.800 -0.039 0.000 2.149 434 G HA2 0.196 4.157 3.960 0.001 0.000 0.235 434 G HA3 0.196 4.157 3.960 0.001 0.000 0.235 434 G C 0.895 175.817 174.900 0.037 0.000 1.018 434 G CA 1.332 46.448 45.100 0.027 0.000 0.728 434 G HN 2.786 nan 8.290 nan 0.000 0.508 435 T N -0.774 113.779 114.554 -0.002 0.000 2.898 435 T HA 0.495 4.846 4.350 0.001 0.000 0.301 435 T C 0.827 175.561 174.700 0.057 0.000 1.049 435 T CA 0.164 62.240 62.100 -0.039 0.000 1.095 435 T CB 1.361 70.082 68.868 -0.244 0.000 0.976 435 T HN 0.910 nan 8.240 nan 0.000 0.539 436 N N 1.403 120.153 118.700 0.084 0.000 2.366 436 N HA 0.213 4.953 4.740 0.001 0.000 0.277 436 N C 1.332 176.873 175.510 0.052 0.000 1.275 436 N CA -0.686 52.408 53.050 0.073 0.000 0.964 436 N CB -0.007 38.520 38.487 0.067 0.000 1.167 436 N HN 0.798 nan 8.380 nan 0.000 0.568 437 I N -4.325 116.188 120.570 -0.094 0.000 2.756 437 I HA -0.077 4.094 4.170 0.001 0.000 0.262 437 I C 0.625 176.594 176.117 -0.247 0.000 1.225 437 I CA 1.146 62.320 61.300 -0.210 0.000 1.472 437 I CB -0.470 37.304 38.000 -0.377 0.000 1.094 437 I HN 0.424 nan 8.210 nan 0.000 0.454 438 H N -0.910 118.199 119.070 0.066 0.000 2.586 438 H HA 0.075 4.631 4.556 0.001 0.000 0.273 438 H C 1.487 176.859 175.328 0.073 0.000 0.997 438 H CA 0.241 56.316 56.048 0.044 0.000 1.177 438 H CB -0.100 29.683 29.762 0.035 0.000 1.471 438 H HN 0.435 nan 8.280 nan 0.000 0.538 439 Y N 1.552 121.911 120.300 0.097 0.000 2.145 439 Y HA -0.222 4.329 4.550 0.001 0.000 0.286 439 Y C 2.304 178.245 175.900 0.068 0.000 1.145 439 Y CA 1.056 59.207 58.100 0.085 0.000 1.148 439 Y CB -0.300 38.211 38.460 0.086 0.000 0.981 439 Y HN 0.097 nan 8.280 nan 0.000 0.507 440 L N 0.717 121.961 121.223 0.035 0.000 2.083 440 L HA -0.169 4.171 4.340 0.001 0.000 0.209 440 L C 2.199 179.012 176.870 -0.095 0.000 1.083 440 L CA 2.065 56.876 54.840 -0.049 0.000 0.752 440 L CB -0.840 41.242 42.059 0.039 0.000 0.899 440 L HN 0.298 nan 8.230 nan 0.000 0.433 441 E N -0.521 119.649 120.200 -0.050 0.000 2.110 441 E HA -0.241 4.109 4.350 0.001 0.000 0.193 441 E C 2.058 178.621 176.600 -0.062 0.000 0.988 441 E CA 1.556 57.933 56.400 -0.038 0.000 0.804 441 E CB 0.028 29.730 29.700 0.004 0.000 0.745 441 E HN 0.647 nan 8.360 nan 0.000 0.458 442 K N 0.204 120.541 120.400 -0.104 0.000 2.262 442 K HA -0.018 4.303 4.320 0.001 0.000 0.200 442 K C 2.052 178.547 176.600 -0.176 0.000 1.049 442 K CA 0.631 56.848 56.287 -0.117 0.000 0.979 442 K CB 0.023 32.471 32.500 -0.087 0.000 0.773 442 K HN -0.116 nan 8.250 nan 0.000 0.474 443 K N 0.988 121.198 120.400 -0.316 0.000 2.026 443 K HA -0.108 4.212 4.320 0.001 0.000 0.208 443 K C 1.777 178.306 176.600 -0.119 0.000 1.048 443 K CA 1.015 57.130 56.287 -0.287 0.000 0.929 443 K CB 0.014 32.255 32.500 -0.431 0.000 0.713 443 K HN 0.069 nan 8.250 nan 0.000 0.439 444 L N 0.352 121.528 121.223 -0.078 0.000 2.313 444 L HA 0.031 4.371 4.340 0.001 0.000 0.214 444 L C 2.199 179.068 176.870 -0.001 0.000 1.119 444 L CA 1.582 56.419 54.840 -0.004 0.000 0.809 444 L CB -0.739 41.353 42.059 0.055 0.000 0.933 444 L HN 0.314 nan 8.230 nan 0.000 0.449 445 G N -1.549 107.236 108.800 -0.025 0.000 2.920 445 G HA2 0.409 4.370 3.960 0.001 0.000 0.208 445 G HA3 0.409 4.370 3.960 0.001 0.000 0.208 445 G C 0.197 175.086 174.900 -0.018 0.000 1.159 445 G CA 1.058 46.148 45.100 -0.016 0.000 0.784 445 G HN 0.331 nan 8.290 nan 0.000 0.535 446 L N 0.000 121.209 121.223 -0.023 0.000 2.949 446 L HA 0.000 4.340 4.340 0.001 0.000 0.249 446 L CA 0.000 nan 54.840 nan 0.000 0.813 446 L CB 0.000 nan 42.059 nan 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502