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 1dv1_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 RIGYPVIIKX XXXXXXXXMR VVRGDAELAQ SISMTRAXXX XXXXXXXXYM 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 EKKLGLQE 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 0.004 0.000 1.140 1 M CA 0.000 55.301 55.300 0.001 0.000 0.988 1 M CB 0.000 32.601 32.600 0.002 0.000 1.302 2 L N 3.198 124.423 121.223 0.004 0.000 2.513 2 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 2 L C 0.905 177.782 176.870 0.011 0.000 1.187 2 L CA -0.027 54.818 54.840 0.009 0.000 0.895 2 L CB 0.002 42.064 42.059 0.006 0.000 1.147 2 L HN 0.766 nan 8.230 nan 0.000 0.483 3 D N 1.844 122.254 120.400 0.016 0.000 2.097 3 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 3 D C 0.579 176.888 176.300 0.015 0.000 0.984 3 D CA 1.478 55.487 54.000 0.016 0.000 0.826 3 D CB 0.396 41.208 40.800 0.021 0.000 0.973 3 D HN 0.514 nan 8.370 nan 0.000 0.460 4 K N -0.588 119.822 120.400 0.017 0.000 2.546 4 K HA 0.433 4.753 4.320 -0.000 0.000 0.264 4 K C -1.655 174.949 176.600 0.007 0.000 0.937 4 K CA -0.834 55.461 56.287 0.012 0.000 0.833 4 K CB 1.502 34.010 32.500 0.014 0.000 1.378 4 K HN 0.129 nan 8.250 nan 0.000 0.432 5 I N -0.469 120.101 120.570 0.000 0.000 2.969 5 I HA 0.559 4.729 4.170 -0.000 0.000 0.307 5 I C -1.398 174.710 176.117 -0.016 0.000 1.149 5 I CA -1.023 60.271 61.300 -0.010 0.000 1.008 5 I CB 2.252 40.254 38.000 0.004 0.000 1.232 5 I HN 0.203 nan 8.210 nan 0.000 0.435 6 V N 4.834 124.727 119.914 -0.034 0.000 2.439 6 V HA 0.403 4.523 4.120 -0.000 0.000 0.282 6 V C 0.171 176.274 176.094 0.015 0.000 1.039 6 V CA -0.356 61.931 62.300 -0.023 0.000 0.913 6 V CB 1.383 33.168 31.823 -0.063 0.000 0.983 6 V HN 0.509 nan 8.190 nan 0.000 0.460 7 I N 4.486 125.068 120.570 0.020 0.000 2.276 7 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 7 I C 0.894 177.019 176.117 0.013 0.000 1.109 7 I CA -0.196 61.099 61.300 -0.008 0.000 1.229 7 I CB 0.990 38.956 38.000 -0.056 0.000 1.452 7 I HN 0.682 nan 8.210 nan 0.000 0.497 8 A N 5.946 128.791 122.820 0.043 0.000 3.063 8 A HA 0.328 4.647 4.320 -0.000 0.000 0.263 8 A C 0.148 177.724 177.584 -0.013 0.000 1.736 8 A CA 0.101 52.173 52.037 0.057 0.000 1.408 8 A CB -0.537 18.544 19.000 0.134 0.000 1.108 8 A HN 0.766 nan 8.150 nan 0.000 0.621 9 N N 0.091 118.736 118.700 -0.092 0.000 3.387 9 N HA 0.423 5.163 4.740 -0.000 0.000 0.294 9 N C -0.920 174.377 175.510 -0.355 0.000 1.519 9 N CA -0.398 52.507 53.050 -0.242 0.000 0.875 9 N CB 1.307 39.652 38.487 -0.237 0.000 1.657 9 N HN 0.663 nan 8.380 nan 0.000 0.527 10 R N -0.995 119.232 120.500 -0.456 0.000 2.870 10 R HA 0.740 5.080 4.340 -0.000 0.000 0.262 10 R C 0.627 176.649 176.300 -0.463 0.000 1.112 10 R CA -0.121 55.731 56.100 -0.414 0.000 0.976 10 R CB -0.074 29.876 30.300 -0.584 0.000 1.261 10 R HN 0.674 nan 8.270 nan 0.000 0.453 11 G N 0.881 109.395 108.800 -0.477 0.000 2.582 11 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.288 11 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.288 11 G C 0.754 175.203 174.900 -0.753 0.000 1.247 11 G CA 1.185 45.738 45.100 -0.912 0.000 0.972 11 G HN 1.027 nan 8.290 nan 0.000 0.557 12 E N -0.078 119.793 120.200 -0.549 0.000 2.051 12 E HA -0.022 4.328 4.350 -0.000 0.000 0.192 12 E C 2.500 178.966 176.600 -0.223 0.000 0.991 12 E CA 2.269 58.542 56.400 -0.211 0.000 0.799 12 E CB -0.314 29.360 29.700 -0.043 0.000 0.748 12 E HN 0.854 nan 8.360 nan 0.000 0.449 13 I N 0.743 121.147 120.570 -0.278 0.000 2.361 13 I HA -0.091 4.079 4.170 -0.000 0.000 0.251 13 I C 2.230 178.098 176.117 -0.415 0.000 1.133 13 I CA 1.379 62.480 61.300 -0.332 0.000 1.413 13 I CB -0.679 36.940 38.000 -0.635 0.000 1.073 13 I HN 0.274 nan 8.210 nan 0.000 0.424 14 A N -0.048 122.453 122.820 -0.531 0.000 1.902 14 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 14 A C 2.221 179.476 177.584 -0.548 0.000 1.181 14 A CA 1.856 53.463 52.037 -0.717 0.000 0.623 14 A CB -1.056 17.180 19.000 -1.272 0.000 0.818 14 A HN 0.475 nan 8.150 nan 0.000 0.443 15 L N -0.136 120.864 121.223 -0.370 0.000 2.093 15 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 15 L C 2.390 179.188 176.870 -0.120 0.000 1.085 15 L CA 2.415 57.169 54.840 -0.143 0.000 0.755 15 L CB -0.632 41.393 42.059 -0.056 0.000 0.904 15 L HN 0.436 nan 8.230 nan 0.000 0.435 16 R N -0.037 120.381 120.500 -0.138 0.000 2.105 16 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 16 R C 2.058 178.296 176.300 -0.103 0.000 1.135 16 R CA 2.171 58.222 56.100 -0.081 0.000 0.967 16 R CB -0.673 29.607 30.300 -0.034 0.000 0.861 16 R HN 0.530 nan 8.270 nan 0.000 0.442 17 I N 0.068 120.522 120.570 -0.193 0.000 2.286 17 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 17 I C 2.263 178.304 176.117 -0.126 0.000 1.104 17 I CA 0.800 61.969 61.300 -0.217 0.000 1.397 17 I CB -0.296 37.462 38.000 -0.403 0.000 1.072 17 I HN 0.197 nan 8.210 nan 0.000 0.417 18 L N 0.969 122.124 121.223 -0.114 0.000 2.013 18 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 18 L C 2.796 179.653 176.870 -0.023 0.000 1.073 18 L CA 1.783 56.598 54.840 -0.042 0.000 0.753 18 L CB -0.299 41.762 42.059 0.003 0.000 0.890 18 L HN 0.094 nan 8.230 nan 0.000 0.432 19 R N -0.451 120.035 120.500 -0.024 0.000 2.081 19 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 19 R C 2.342 178.638 176.300 -0.006 0.000 1.131 19 R CA 1.256 57.351 56.100 -0.007 0.000 0.960 19 R CB -0.652 29.646 30.300 -0.003 0.000 0.856 19 R HN 0.562 nan 8.270 nan 0.000 0.436 20 A N 0.762 123.572 122.820 -0.016 0.000 1.908 20 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 20 A C 2.418 180.000 177.584 -0.004 0.000 1.181 20 A CA 1.568 53.600 52.037 -0.008 0.000 0.627 20 A CB -0.887 18.105 19.000 -0.013 0.000 0.818 20 A HN 0.454 nan 8.150 nan 0.000 0.445 21 C N -0.611 118.684 119.300 -0.009 0.000 2.413 21 C HA -0.104 4.356 4.460 -0.000 0.000 0.277 21 C C 2.722 177.713 174.990 0.002 0.000 1.228 21 C CA 1.324 60.341 59.018 -0.002 0.000 1.731 21 C CB -1.072 26.667 27.740 -0.002 0.000 2.042 21 C HN 0.616 nan 8.230 nan 0.000 0.468 22 K N 0.622 121.023 120.400 0.002 0.000 2.074 22 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 22 K C 1.850 178.453 176.600 0.005 0.000 1.048 22 K CA 1.609 57.899 56.287 0.005 0.000 0.926 22 K CB -0.335 32.169 32.500 0.006 0.000 0.713 22 K HN 0.626 nan 8.250 nan 0.000 0.444 23 E N 0.536 120.739 120.200 0.005 0.000 2.160 23 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 23 E C 1.653 178.257 176.600 0.006 0.000 0.991 23 E CA 0.891 57.295 56.400 0.006 0.000 0.810 23 E CB -0.003 29.701 29.700 0.007 0.000 0.742 23 E HN 0.276 nan 8.360 nan 0.000 0.466 24 L N -0.768 120.457 121.223 0.005 0.000 2.607 24 L HA 0.209 4.549 4.340 -0.000 0.000 0.228 24 L C 1.135 178.008 176.870 0.004 0.000 1.123 24 L CA 0.169 55.012 54.840 0.004 0.000 0.890 24 L CB 0.394 42.455 42.059 0.004 0.000 1.103 24 L HN 0.196 nan 8.230 nan 0.000 0.468 25 G N 1.336 110.139 108.800 0.005 0.000 2.182 25 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 25 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 25 G C 0.048 174.951 174.900 0.006 0.000 1.042 25 G CA -0.166 44.937 45.100 0.005 0.000 0.775 25 G HN 0.292 nan 8.290 nan 0.000 0.501 26 I N 0.065 120.639 120.570 0.006 0.000 2.353 26 I HA 0.333 4.503 4.170 -0.000 0.000 0.293 26 I C 0.735 176.857 176.117 0.008 0.000 0.992 26 I CA -0.815 60.489 61.300 0.007 0.000 1.268 26 I CB 1.228 39.232 38.000 0.007 0.000 1.387 26 I HN -0.036 nan 8.210 nan 0.000 0.478 27 K N 3.663 124.068 120.400 0.009 0.000 2.295 27 K HA 0.303 4.623 4.320 -0.000 0.000 0.270 27 K C 0.021 176.627 176.600 0.010 0.000 1.011 27 K CA -0.183 56.110 56.287 0.009 0.000 0.953 27 K CB 0.744 33.250 32.500 0.010 0.000 0.956 27 K HN 0.704 nan 8.250 nan 0.000 0.477 28 T N -2.070 112.492 114.554 0.012 0.000 2.885 28 T HA 0.614 4.964 4.350 -0.000 0.000 0.285 28 T C -0.660 174.052 174.700 0.021 0.000 1.019 28 T CA -0.973 61.137 62.100 0.017 0.000 1.010 28 T CB 1.246 70.130 68.868 0.027 0.000 1.022 28 T HN 0.128 nan 8.240 nan 0.000 0.466 29 V N 1.605 121.533 119.914 0.024 0.000 2.443 29 V HA 0.720 4.840 4.120 -0.000 0.000 0.293 29 V C 0.107 176.234 176.094 0.055 0.000 1.021 29 V CA -1.061 61.254 62.300 0.026 0.000 0.848 29 V CB 1.219 33.043 31.823 0.002 0.000 0.998 29 V HN 1.289 nan 8.190 nan 0.000 0.424 30 A N 5.036 127.901 122.820 0.076 0.000 2.260 30 A HA 0.738 5.058 4.320 -0.000 0.000 0.312 30 A C -0.086 177.588 177.584 0.151 0.000 1.321 30 A CA -0.494 51.625 52.037 0.137 0.000 0.928 30 A CB 0.840 19.870 19.000 0.050 0.000 1.158 30 A HN 1.306 nan 8.150 nan 0.000 0.542 31 V N 2.311 122.307 119.914 0.138 0.000 2.498 31 V HA 0.772 4.892 4.120 -0.000 0.000 0.279 31 V C -0.331 175.849 176.094 0.144 0.000 1.048 31 V CA -0.201 62.136 62.300 0.061 0.000 0.967 31 V CB 0.133 31.950 31.823 -0.010 0.000 0.988 31 V HN 1.101 nan 8.190 nan 0.000 0.473 32 H N 1.546 120.591 119.070 -0.041 0.000 3.016 32 H HA 0.796 5.352 4.556 -0.000 0.000 0.362 32 H C -0.208 175.000 175.328 -0.201 0.000 1.233 32 H CA -0.200 55.824 56.048 -0.040 0.000 1.124 32 H CB 1.268 31.056 29.762 0.043 0.000 1.850 32 H HN 0.917 nan 8.280 nan 0.000 0.549 33 S N 0.540 116.137 115.700 -0.172 0.000 2.617 33 S HA 0.105 4.575 4.470 -0.000 0.000 0.269 33 S C 1.343 176.016 174.600 0.122 0.000 1.292 33 S CA -0.143 57.952 58.200 -0.175 0.000 1.010 33 S CB 1.082 64.234 63.200 -0.081 0.000 0.944 33 S HN 1.070 nan 8.310 nan 0.000 0.536 34 S N 1.558 117.281 115.700 0.039 0.000 2.419 34 S HA -0.110 4.360 4.470 -0.000 0.000 0.235 34 S C 1.678 176.390 174.600 0.186 0.000 1.019 34 S CA 0.744 59.009 58.200 0.108 0.000 0.982 34 S CB -0.995 62.221 63.200 0.027 0.000 0.789 34 S HN 1.189 nan 8.310 nan 0.000 0.490 35 A N 0.617 123.574 122.820 0.227 0.000 2.251 35 A HA 0.208 4.528 4.320 -0.000 0.000 0.209 35 A C 1.094 178.882 177.584 0.341 0.000 1.187 35 A CA 0.537 52.755 52.037 0.301 0.000 0.823 35 A CB -0.034 19.211 19.000 0.408 0.000 0.846 35 A HN 0.423 nan 8.150 nan 0.000 0.486 36 D N -0.987 119.617 120.400 0.340 0.000 2.559 36 D HA 0.158 4.798 4.640 -0.000 0.000 0.234 36 D C 1.421 177.766 176.300 0.075 0.000 1.226 36 D CA -0.093 54.076 54.000 0.283 0.000 0.830 36 D CB 0.082 41.075 40.800 0.322 0.000 1.028 36 D HN 0.318 nan 8.370 nan 0.000 0.492 37 R N 0.307 120.826 120.500 0.032 0.000 2.120 37 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 37 R C 0.517 176.744 176.300 -0.121 0.000 1.123 37 R CA 1.047 57.032 56.100 -0.192 0.000 0.975 37 R CB 0.312 30.620 30.300 0.014 0.000 0.866 37 R HN -0.027 nan 8.270 nan 0.000 0.446 38 D N 0.032 120.475 120.400 0.072 0.000 2.328 38 D HA 0.064 4.704 4.640 -0.000 0.000 0.221 38 D C 0.000 176.487 176.300 0.311 0.000 1.072 38 D CA 0.129 54.251 54.000 0.203 0.000 0.850 38 D CB 0.157 41.133 40.800 0.293 0.000 0.922 38 D HN 0.146 nan 8.370 nan 0.000 0.516 39 L N 0.863 122.198 121.223 0.187 0.000 2.485 39 L HA -0.030 4.309 4.340 -0.000 0.000 0.275 39 L C 1.907 178.833 176.870 0.094 0.000 1.207 39 L CA -0.136 54.807 54.840 0.172 0.000 0.855 39 L CB 0.774 42.888 42.059 0.092 0.000 1.114 39 L HN -0.194 nan 8.230 nan 0.000 0.485 40 K N 1.959 122.460 120.400 0.168 0.000 2.044 40 K HA -0.246 4.074 4.320 -0.000 0.000 0.210 40 K C 2.193 178.813 176.600 0.033 0.000 1.049 40 K CA 2.037 58.381 56.287 0.095 0.000 0.927 40 K CB -0.124 32.458 32.500 0.136 0.000 0.713 40 K HN 0.776 nan 8.250 nan 0.000 0.443 41 H N -0.765 118.296 119.070 -0.015 0.000 2.423 41 H HA -0.039 4.517 4.556 -0.000 0.000 0.297 41 H C 1.856 177.163 175.328 -0.035 0.000 1.075 41 H CA 1.424 57.450 56.048 -0.037 0.000 1.342 41 H CB -0.645 29.079 29.762 -0.063 0.000 1.395 41 H HN 0.069 nan 8.280 nan 0.000 0.530 42 V N 1.975 121.455 119.914 -0.723 0.000 2.343 42 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 42 V C 3.051 178.993 176.094 -0.253 0.000 1.051 42 V CA 1.717 63.676 62.300 -0.568 0.000 1.036 42 V CB -0.595 30.899 31.823 -0.549 0.000 0.654 42 V HN 0.295 nan 8.190 nan 0.000 0.451 43 L N -0.834 120.281 121.223 -0.179 0.000 2.265 43 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 43 L C 2.059 178.883 176.870 -0.077 0.000 1.117 43 L CA 1.214 55.989 54.840 -0.110 0.000 0.782 43 L CB -0.468 41.532 42.059 -0.099 0.000 0.914 43 L HN 0.303 nan 8.230 nan 0.000 0.441 44 L N -0.689 120.496 121.223 -0.062 0.000 2.554 44 L HA 0.265 4.605 4.340 -0.000 0.000 0.225 44 L C 1.401 178.264 176.870 -0.013 0.000 1.104 44 L CA -0.496 54.328 54.840 -0.027 0.000 0.866 44 L CB -0.225 41.834 42.059 -0.001 0.000 1.047 44 L HN 0.107 nan 8.230 nan 0.000 0.468 45 A N 0.246 123.053 122.820 -0.022 0.000 2.406 45 A HA 0.024 4.344 4.320 -0.000 0.000 0.243 45 A C 0.768 178.350 177.584 -0.003 0.000 1.082 45 A CA -0.179 51.858 52.037 0.001 0.000 0.786 45 A CB 0.251 19.253 19.000 0.003 0.000 1.029 45 A HN 0.155 nan 8.150 nan 0.000 0.495 46 D N 0.204 120.608 120.400 0.006 0.000 2.123 46 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 46 D C 0.298 176.600 176.300 0.005 0.000 0.976 46 D CA 1.414 55.417 54.000 0.005 0.000 0.831 46 D CB 0.247 41.051 40.800 0.008 0.000 0.974 46 D HN 0.738 nan 8.370 nan 0.000 0.469 47 E N -0.816 119.389 120.200 0.009 0.000 2.408 47 E HA 0.441 4.791 4.350 -0.000 0.000 0.275 47 E C -0.665 175.948 176.600 0.021 0.000 0.935 47 E CA -0.620 55.788 56.400 0.012 0.000 0.775 47 E CB 2.584 32.291 29.700 0.011 0.000 1.277 47 E HN -0.022 nan 8.360 nan 0.000 0.455 48 T N -2.140 112.434 114.554 0.032 0.000 2.903 48 T HA 0.696 5.046 4.350 -0.000 0.000 0.299 48 T C -0.979 173.758 174.700 0.062 0.000 1.093 48 T CA -0.702 61.442 62.100 0.072 0.000 1.002 48 T CB 1.395 70.321 68.868 0.095 0.000 1.127 48 T HN 0.173 nan 8.240 nan 0.000 0.488 49 V N 1.276 121.217 119.914 0.045 0.000 2.612 49 V HA 0.429 4.549 4.120 -0.000 0.000 0.301 49 V C 0.051 175.971 176.094 -0.290 0.000 1.059 49 V CA -1.209 61.049 62.300 -0.070 0.000 0.886 49 V CB 1.487 33.272 31.823 -0.063 0.000 1.007 49 V HN 1.313 nan 8.190 nan 0.000 0.426 50 C N 6.928 125.986 119.300 -0.403 0.000 2.442 50 C HA 0.465 4.925 4.460 -0.000 0.000 0.362 50 C C 1.613 176.382 174.990 -0.368 0.000 1.242 50 C CA -0.201 58.429 59.018 -0.646 0.000 1.741 50 C CB -1.367 26.122 27.740 -0.420 0.000 2.378 50 C HN 0.890 nan 8.230 nan 0.000 0.549 51 I N 4.433 124.769 120.570 -0.390 0.000 3.928 51 I HA 0.561 4.731 4.170 -0.000 0.000 0.335 51 I C 0.779 176.740 176.117 -0.260 0.000 1.325 51 I CA 0.471 61.602 61.300 -0.282 0.000 1.107 51 I CB -0.464 37.369 38.000 -0.278 0.000 1.014 51 I HN 0.785 nan 8.210 nan 0.000 0.400 52 G N 1.144 109.788 108.800 -0.259 0.000 2.359 52 G HA2 0.200 4.160 3.960 -0.000 0.000 0.293 52 G HA3 0.200 4.160 3.960 -0.000 0.000 0.293 52 G C -3.357 171.437 174.900 -0.176 0.000 1.300 52 G CA -0.775 44.205 45.100 -0.200 0.000 0.888 52 G HN -0.081 nan 8.290 nan 0.000 0.541 53 P HA 0.456 nan 4.420 nan 0.000 0.277 53 P C 1.238 178.461 177.300 -0.129 0.000 1.276 53 P CA 0.716 63.743 63.100 -0.122 0.000 0.788 53 P CB 0.647 32.277 31.700 -0.117 0.000 1.114 54 A N 0.693 123.414 122.820 -0.164 0.000 1.869 54 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 54 A C -1.094 176.422 177.584 -0.112 0.000 1.203 54 A CA 1.611 53.530 52.037 -0.197 0.000 0.638 54 A CB -2.824 15.780 19.000 -0.660 0.000 0.831 54 A HN 0.542 nan 8.150 nan 0.000 0.450 55 P HA 0.073 nan 4.420 nan 0.000 0.260 55 P C 0.574 177.925 177.300 0.084 0.000 1.172 55 P CA 0.749 63.807 63.100 -0.069 0.000 0.760 55 P CB 0.515 32.162 31.700 -0.088 0.000 0.773 56 S N 2.390 118.254 115.700 0.274 0.000 2.402 56 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 56 S C 1.755 176.425 174.600 0.116 0.000 1.030 56 S CA 1.778 60.167 58.200 0.316 0.000 1.003 56 S CB -0.974 62.547 63.200 0.535 0.000 0.813 56 S HN 0.469 nan 8.310 nan 0.000 0.477 57 V N 0.833 120.802 119.914 0.091 0.000 2.594 57 V HA -0.077 4.043 4.120 -0.000 0.000 0.253 57 V C 1.938 178.022 176.094 -0.018 0.000 1.069 57 V CA 1.327 63.650 62.300 0.038 0.000 1.082 57 V CB -0.615 31.231 31.823 0.038 0.000 0.680 57 V HN 0.386 nan 8.190 nan 0.000 0.469 58 K N 0.694 121.070 120.400 -0.039 0.000 2.356 58 K HA 0.132 4.452 4.320 -0.000 0.000 0.195 58 K C 1.984 178.499 176.600 -0.142 0.000 1.037 58 K CA 1.165 57.403 56.287 -0.081 0.000 1.014 58 K CB 0.454 32.904 32.500 -0.083 0.000 0.815 58 K HN 0.725 nan 8.250 nan 0.000 0.507 59 S N -0.443 115.140 115.700 -0.194 0.000 3.386 59 S HA 0.016 4.486 4.470 -0.000 0.000 0.181 59 S C 1.771 176.095 174.600 -0.460 0.000 0.763 59 S CA -0.274 57.691 58.200 -0.393 0.000 0.847 59 S CB -0.785 62.057 63.200 -0.597 0.000 0.980 59 S HN 0.070 nan 8.310 nan 0.000 0.676 60 Y N 2.483 122.611 120.300 -0.287 0.000 2.403 60 Y HA 0.249 4.799 4.550 -0.000 0.000 0.291 60 Y C 1.776 177.415 175.900 -0.436 0.000 1.143 60 Y CA 0.584 58.354 58.100 -0.550 0.000 1.257 60 Y CB -0.635 37.075 38.460 -1.250 0.000 0.984 60 Y HN 0.225 nan 8.280 nan 0.000 0.550 61 L N -0.344 120.800 121.223 -0.132 0.000 2.769 61 L HA 0.158 4.498 4.340 -0.000 0.000 0.240 61 L C 0.451 177.250 176.870 -0.119 0.000 1.163 61 L CA -0.159 54.626 54.840 -0.093 0.000 0.962 61 L CB -0.075 42.000 42.059 0.027 0.000 1.258 61 L HN -0.013 nan 8.230 nan 0.000 0.513 62 N N 1.500 120.115 118.700 -0.142 0.000 2.602 62 N HA 0.206 4.946 4.740 -0.000 0.000 0.238 62 N C 1.024 176.477 175.510 -0.095 0.000 1.084 62 N CA 0.021 53.006 53.050 -0.107 0.000 0.952 62 N CB 0.502 38.916 38.487 -0.120 0.000 1.244 62 N HN 0.165 nan 8.380 nan 0.000 0.512 63 I N 3.651 124.184 120.570 -0.062 0.000 2.091 63 I HA -0.221 3.949 4.170 -0.000 0.000 0.239 63 I C -0.628 175.551 176.117 0.102 0.000 1.061 63 I CA 1.153 62.477 61.300 0.041 0.000 1.317 63 I CB -1.225 36.853 38.000 0.129 0.000 1.031 63 I HN 0.392 nan 8.210 nan 0.000 0.401 64 P HA -0.211 nan 4.420 nan 0.000 0.216 64 P C 1.492 178.812 177.300 0.033 0.000 1.153 64 P CA 2.179 65.312 63.100 0.055 0.000 0.858 64 P CB -0.120 31.597 31.700 0.028 0.000 0.789 65 A N -0.740 122.076 122.820 -0.008 0.000 1.908 65 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 65 A C 2.258 179.823 177.584 -0.033 0.000 1.181 65 A CA 1.657 53.670 52.037 -0.041 0.000 0.627 65 A CB -1.608 17.338 19.000 -0.090 0.000 0.818 65 A HN 0.154 nan 8.150 nan 0.000 0.445 66 I N -0.549 120.018 120.570 -0.006 0.000 2.406 66 I HA -0.164 4.006 4.170 -0.000 0.000 0.249 66 I C 2.197 178.337 176.117 0.038 0.000 1.122 66 I CA 0.842 62.155 61.300 0.022 0.000 1.431 66 I CB -0.234 37.810 38.000 0.074 0.000 1.087 66 I HN 0.269 nan 8.210 nan 0.000 0.424 67 I N -0.055 120.577 120.570 0.103 0.000 2.208 67 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 67 I C 2.764 178.914 176.117 0.055 0.000 1.097 67 I CA 1.369 62.725 61.300 0.094 0.000 1.363 67 I CB -0.347 37.772 38.000 0.197 0.000 1.051 67 I HN 0.227 nan 8.210 nan 0.000 0.413 68 S N 0.612 116.343 115.700 0.052 0.000 2.359 68 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 68 S C 2.215 176.817 174.600 0.004 0.000 1.035 68 S CA 1.573 59.797 58.200 0.040 0.000 1.018 68 S CB -0.208 63.004 63.200 0.020 0.000 0.876 68 S HN 0.492 nan 8.310 nan 0.000 0.448 69 A N 1.194 123.993 122.820 -0.035 0.000 1.933 69 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 69 A C 2.424 179.954 177.584 -0.091 0.000 1.175 69 A CA 1.829 53.834 52.037 -0.054 0.000 0.628 69 A CB -1.297 17.665 19.000 -0.063 0.000 0.814 69 A HN 0.737 nan 8.150 nan 0.000 0.444 70 A N -0.311 122.394 122.820 -0.193 0.000 1.845 70 A HA -0.206 4.114 4.320 -0.000 0.000 0.215 70 A C 1.985 179.469 177.584 -0.167 0.000 1.195 70 A CA 1.794 53.582 52.037 -0.416 0.000 0.616 70 A CB -0.693 17.595 19.000 -1.186 0.000 0.832 70 A HN 0.600 nan 8.150 nan 0.000 0.443 71 E N -0.330 119.919 120.200 0.081 0.000 2.049 71 E HA -0.218 4.132 4.350 -0.000 0.000 0.198 71 E C 1.958 178.632 176.600 0.123 0.000 1.007 71 E CA 1.728 58.295 56.400 0.278 0.000 0.809 71 E CB -0.352 29.496 29.700 0.246 0.000 0.749 71 E HN 0.812 nan 8.360 nan 0.000 0.450 72 I N -0.908 119.698 120.570 0.061 0.000 2.756 72 I HA -0.113 4.057 4.170 -0.000 0.000 0.262 72 I C 1.971 178.104 176.117 0.028 0.000 1.225 72 I CA 1.600 62.922 61.300 0.037 0.000 1.472 72 I CB -0.283 37.728 38.000 0.018 0.000 1.094 72 I HN 0.021 nan 8.210 nan 0.000 0.454 73 T N -2.414 112.151 114.554 0.019 0.000 3.037 73 T HA 0.403 4.753 4.350 -0.000 0.000 0.251 73 T C 1.572 176.290 174.700 0.030 0.000 1.079 73 T CA 0.388 62.496 62.100 0.013 0.000 1.067 73 T CB 0.283 69.147 68.868 -0.007 0.000 0.948 73 T HN 0.690 nan 8.240 nan 0.000 0.496 74 G N 1.538 110.374 108.800 0.060 0.000 2.137 74 G HA2 0.013 3.973 3.960 -0.000 0.000 0.237 74 G HA3 0.013 3.973 3.960 -0.000 0.000 0.237 74 G C 0.235 175.187 174.900 0.087 0.000 1.002 74 G CA -0.158 44.994 45.100 0.086 0.000 0.702 74 G HN 1.104 nan 8.290 nan 0.000 0.515 75 A N -0.524 122.326 122.820 0.050 0.000 2.407 75 A HA 0.718 5.038 4.320 -0.000 0.000 0.248 75 A C 1.713 179.363 177.584 0.109 0.000 1.082 75 A CA 0.707 52.750 52.037 0.010 0.000 0.785 75 A CB 0.915 19.851 19.000 -0.107 0.000 1.020 75 A HN 1.630 nan 8.150 nan 0.000 0.489 76 V N -1.318 118.655 119.914 0.099 0.000 3.431 76 V HA 0.595 4.715 4.120 -0.000 0.000 0.253 76 V C 0.698 176.894 176.094 0.169 0.000 1.184 76 V CA 1.100 63.504 62.300 0.173 0.000 1.104 76 V CB -0.920 30.960 31.823 0.096 0.000 0.799 76 V HN 1.624 nan 8.190 nan 0.000 0.462 77 A N -0.206 122.644 122.820 0.050 0.000 2.593 77 A HA 0.857 5.177 4.320 -0.000 0.000 0.290 77 A C -1.204 176.349 177.584 -0.052 0.000 1.126 77 A CA -0.707 51.341 52.037 0.019 0.000 0.695 77 A CB 1.698 20.699 19.000 0.001 0.000 1.290 77 A HN 0.269 nan 8.150 nan 0.000 0.414 78 I N 1.393 121.931 120.570 -0.052 0.000 2.466 78 I HA 0.301 4.471 4.170 -0.000 0.000 0.289 78 I C -1.110 174.960 176.117 -0.079 0.000 1.026 78 I CA -0.495 60.783 61.300 -0.037 0.000 1.078 78 I CB 1.988 39.993 38.000 0.008 0.000 1.249 78 I HN 0.737 nan 8.210 nan 0.000 0.429 79 H N 8.718 127.723 119.070 -0.109 0.000 2.623 79 H HA 0.343 4.899 4.556 -0.000 0.000 0.299 79 H C -2.100 173.167 175.328 -0.100 0.000 1.052 79 H CA -2.429 53.523 56.048 -0.161 0.000 1.231 79 H CB 1.821 31.497 29.762 -0.142 0.000 1.389 79 H HN 0.293 nan 8.280 nan 0.000 0.469 80 P HA 0.042 nan 4.420 nan 0.000 0.233 80 P C 0.881 178.290 177.300 0.181 0.000 1.167 80 P CA 1.217 64.463 63.100 0.244 0.000 0.770 80 P CB 0.593 32.446 31.700 0.256 0.000 0.837 81 G N 0.635 109.575 108.800 0.233 0.000 2.550 81 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.277 81 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.277 81 G C -0.621 174.269 174.900 -0.018 0.000 1.190 81 G CA 0.380 45.398 45.100 -0.138 0.000 0.971 81 G HN 0.454 nan 8.290 nan 0.000 0.559 82 Y N -1.306 119.005 120.300 0.018 0.000 2.602 82 Y HA 0.723 5.273 4.550 -0.000 0.000 0.342 82 Y C 0.891 176.758 175.900 -0.056 0.000 1.029 82 Y CA -0.460 57.642 58.100 0.004 0.000 1.080 82 Y CB 1.000 39.453 38.460 -0.013 0.000 1.284 82 Y HN 2.617 nan 8.280 nan 0.000 0.485 83 G N 1.271 110.199 108.800 0.212 0.000 2.645 83 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.239 83 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.239 83 G C -0.001 174.876 174.900 -0.039 0.000 1.331 83 G CA 0.199 45.270 45.100 -0.049 0.000 0.890 83 G HN 1.337 nan 8.290 nan 0.000 0.572 84 F N -2.062 117.912 119.950 0.040 0.000 2.958 84 F HA -0.326 4.201 4.527 -0.000 0.000 0.240 84 F C 2.221 178.025 175.800 0.007 0.000 1.487 84 F CA 2.028 60.031 58.000 0.005 0.000 1.873 84 F CB -1.082 37.892 39.000 -0.044 0.000 0.531 84 F HN 0.473 nan 8.300 nan 0.000 0.277 85 L N 0.518 121.886 121.223 0.242 0.000 2.700 85 L HA 0.118 4.458 4.340 -0.000 0.000 0.234 85 L C 1.822 178.887 176.870 0.326 0.000 1.156 85 L CA 0.576 55.481 54.840 0.109 0.000 0.946 85 L CB -0.124 41.693 42.059 -0.404 0.000 1.216 85 L HN 0.514 nan 8.230 nan 0.000 0.493 86 S N -0.375 115.515 115.700 0.317 0.000 2.419 86 S HA -0.180 4.290 4.470 -0.000 0.000 0.235 86 S C 1.185 175.998 174.600 0.356 0.000 1.019 86 S CA 1.072 59.486 58.200 0.357 0.000 0.982 86 S CB -0.156 63.189 63.200 0.242 0.000 0.789 86 S HN 0.558 nan 8.310 nan 0.000 0.490 87 E N 1.310 121.662 120.200 0.253 0.000 2.989 87 E HA 0.250 4.600 4.350 -0.000 0.000 0.207 87 E C -0.724 175.972 176.600 0.160 0.000 0.989 87 E CA -0.308 56.210 56.400 0.198 0.000 1.186 87 E CB 0.241 30.023 29.700 0.137 0.000 1.141 87 E HN 0.360 nan 8.360 nan 0.000 0.454 88 N N 1.012 119.831 118.700 0.199 0.000 2.501 88 N HA 0.174 4.914 4.740 -0.000 0.000 0.245 88 N C 0.566 176.137 175.510 0.101 0.000 0.974 88 N CA 0.010 53.153 53.050 0.155 0.000 0.941 88 N CB 1.442 40.031 38.487 0.170 0.000 1.122 88 N HN 0.110 nan 8.380 nan 0.000 0.507 89 A N 4.522 127.363 122.820 0.035 0.000 1.908 89 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 89 A C 1.841 179.387 177.584 -0.063 0.000 1.181 89 A CA 1.246 53.259 52.037 -0.040 0.000 0.627 89 A CB -0.290 18.698 19.000 -0.020 0.000 0.818 89 A HN 0.746 nan 8.150 nan 0.000 0.445 90 N N -0.885 117.823 118.700 0.014 0.000 2.069 90 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 90 N C 1.583 177.125 175.510 0.054 0.000 1.031 90 N CA 1.610 54.678 53.050 0.031 0.000 0.852 90 N CB -0.679 37.846 38.487 0.063 0.000 1.018 90 N HN 0.627 nan 8.380 nan 0.000 0.423 91 F N 1.764 121.659 119.950 -0.092 0.000 2.046 91 F HA -0.257 4.270 4.527 -0.000 0.000 0.297 91 F C 2.376 178.022 175.800 -0.255 0.000 1.123 91 F CA 1.643 59.582 58.000 -0.102 0.000 1.199 91 F CB -0.157 38.825 39.000 -0.031 0.000 0.972 91 F HN 0.054 nan 8.300 nan 0.000 0.474 92 A N -0.070 122.331 122.820 -0.699 0.000 1.892 92 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 92 A C 2.077 179.294 177.584 -0.612 0.000 1.188 92 A CA 2.084 53.387 52.037 -1.223 0.000 0.631 92 A CB -1.153 17.101 19.000 -1.245 0.000 0.822 92 A HN 0.592 nan 8.150 nan 0.000 0.447 93 E N -0.675 119.314 120.200 -0.351 0.000 2.049 93 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 93 E C 2.380 178.881 176.600 -0.164 0.000 1.007 93 E CA 1.683 57.965 56.400 -0.198 0.000 0.809 93 E CB -0.186 29.443 29.700 -0.117 0.000 0.749 93 E HN 0.737 nan 8.360 nan 0.000 0.450 94 Q N -0.065 119.646 119.800 -0.148 0.000 2.096 94 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 94 Q C 2.384 178.329 176.000 -0.090 0.000 0.982 94 Q CA 1.412 57.166 55.803 -0.083 0.000 0.850 94 Q CB -0.096 28.639 28.738 -0.004 0.000 0.901 94 Q HN 0.201 nan 8.270 nan 0.000 0.422 95 V N 1.718 121.502 119.914 -0.218 0.000 2.252 95 V HA -0.306 3.814 4.120 -0.000 0.000 0.249 95 V C 2.055 178.156 176.094 0.013 0.000 1.056 95 V CA 2.217 64.454 62.300 -0.104 0.000 1.022 95 V CB -0.588 31.069 31.823 -0.276 0.000 0.641 95 V HN 0.414 nan 8.190 nan 0.000 0.445 96 E N -0.137 120.018 120.200 -0.075 0.000 2.015 96 E HA -0.249 4.101 4.350 -0.000 0.000 0.191 96 E C 2.415 178.965 176.600 -0.084 0.000 0.991 96 E CA 1.164 57.531 56.400 -0.056 0.000 0.802 96 E CB -0.360 29.300 29.700 -0.066 0.000 0.759 96 E HN 0.403 nan 8.360 nan 0.000 0.447 97 R N 0.843 121.293 120.500 -0.084 0.000 2.153 97 R HA -0.156 4.184 4.340 -0.000 0.000 0.252 97 R C 1.849 178.088 176.300 -0.102 0.000 1.158 97 R CA 1.651 57.703 56.100 -0.080 0.000 0.975 97 R CB -0.120 30.142 30.300 -0.062 0.000 0.871 97 R HN 0.046 nan 8.270 nan 0.000 0.450 98 S N -1.068 114.571 115.700 -0.102 0.000 2.650 98 S HA 0.127 4.597 4.470 -0.000 0.000 0.219 98 S C 0.926 175.237 174.600 -0.482 0.000 0.960 98 S CA 0.617 58.714 58.200 -0.172 0.000 0.925 98 S CB 0.867 64.070 63.200 0.004 0.000 0.775 98 S HN 0.693 nan 8.310 nan 0.000 0.525 99 G N 0.772 109.350 108.800 -0.371 0.000 2.132 99 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 99 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 99 G C -0.137 174.459 174.900 -0.506 0.000 0.989 99 G CA -0.245 44.590 45.100 -0.442 0.000 0.676 99 G HN 0.418 nan 8.290 nan 0.000 0.522 100 F N -0.589 119.343 119.950 -0.031 0.000 2.557 100 F HA 0.771 5.298 4.527 -0.000 0.000 0.336 100 F C 0.778 176.567 175.800 -0.018 0.000 1.058 100 F CA -1.677 56.310 58.000 -0.022 0.000 0.988 100 F CB 1.100 40.089 39.000 -0.018 0.000 1.275 100 F HN -0.068 nan 8.300 nan 0.000 0.488 101 I N 1.851 122.553 120.570 0.220 0.000 2.315 101 I HA 0.154 4.323 4.170 -0.000 0.000 0.291 101 I C -0.764 175.416 176.117 0.105 0.000 1.006 101 I CA -0.301 61.066 61.300 0.111 0.000 1.265 101 I CB 0.653 38.684 38.000 0.052 0.000 1.387 101 I HN 0.400 nan 8.210 nan 0.000 0.475 102 F N 7.613 127.519 119.950 -0.073 0.000 2.424 102 F HA 0.430 4.957 4.527 -0.000 0.000 0.356 102 F C 0.351 176.069 175.800 -0.137 0.000 1.110 102 F CA -0.502 57.423 58.000 -0.125 0.000 1.161 102 F CB 0.581 39.487 39.000 -0.156 0.000 1.115 102 F HN 0.297 nan 8.300 nan 0.000 0.507 103 I N 7.165 127.313 120.570 -0.704 0.000 2.270 103 I HA 0.363 4.533 4.170 -0.000 0.000 0.300 103 I C 0.568 176.174 176.117 -0.850 0.000 1.186 103 I CA 0.333 61.233 61.300 -0.667 0.000 1.431 103 I CB -0.863 36.728 38.000 -0.682 0.000 1.485 103 I HN 0.770 nan 8.210 nan 0.000 0.650 104 G N 6.027 114.505 108.800 -0.535 0.000 2.341 104 G HA2 0.336 4.296 3.960 -0.000 0.000 0.299 104 G HA3 0.336 4.296 3.960 -0.000 0.000 0.299 104 G C -3.256 171.610 174.900 -0.056 0.000 1.274 104 G CA -0.663 44.271 45.100 -0.277 0.000 0.853 104 G HN 0.089 nan 8.290 nan 0.000 0.493 105 P HA 0.340 nan 4.420 nan 0.000 0.286 105 P C -0.504 176.780 177.300 -0.026 0.000 1.293 105 P CA -0.292 62.672 63.100 -0.227 0.000 0.770 105 P CB 0.612 32.072 31.700 -0.400 0.000 1.206 106 K N -0.513 119.839 120.400 -0.081 0.000 2.168 106 K HA 0.347 4.667 4.320 -0.000 0.000 0.258 106 K C 1.515 178.078 176.600 -0.063 0.000 1.010 106 K CA -0.227 56.027 56.287 -0.054 0.000 0.929 106 K CB 0.057 32.526 32.500 -0.052 0.000 0.998 106 K HN 0.324 nan 8.250 nan 0.000 0.479 107 A N 2.372 125.125 122.820 -0.113 0.000 1.978 107 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 107 A C 1.746 179.300 177.584 -0.049 0.000 1.170 107 A CA 1.751 53.718 52.037 -0.117 0.000 0.636 107 A CB -0.529 18.384 19.000 -0.146 0.000 0.810 107 A HN 0.885 nan 8.150 nan 0.000 0.448 108 E N -0.468 119.711 120.200 -0.035 0.000 2.077 108 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 108 E C 2.026 178.634 176.600 0.014 0.000 0.989 108 E CA 1.792 58.186 56.400 -0.009 0.000 0.800 108 E CB -0.560 29.136 29.700 -0.006 0.000 0.746 108 E HN 0.624 nan 8.360 nan 0.000 0.452 109 T N 1.024 115.590 114.554 0.019 0.000 2.788 109 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 109 T C 1.961 176.712 174.700 0.085 0.000 1.044 109 T CA 1.001 63.139 62.100 0.063 0.000 1.139 109 T CB -0.209 68.694 68.868 0.058 0.000 0.867 109 T HN 0.109 nan 8.240 nan 0.000 0.454 110 I N 0.534 121.139 120.570 0.059 0.000 2.286 110 I HA -0.118 4.052 4.170 -0.000 0.000 0.245 110 I C 2.866 179.017 176.117 0.056 0.000 1.104 110 I CA 1.144 62.486 61.300 0.071 0.000 1.397 110 I CB -0.325 37.710 38.000 0.059 0.000 1.072 110 I HN 0.099 nan 8.210 nan 0.000 0.417 111 R N 0.420 120.941 120.500 0.035 0.000 2.080 111 R HA -0.220 4.120 4.340 -0.000 0.000 0.236 111 R C 2.306 178.631 176.300 0.042 0.000 1.137 111 R CA 1.554 57.673 56.100 0.032 0.000 0.943 111 R CB -0.668 29.643 30.300 0.019 0.000 0.846 111 R HN 0.184 nan 8.270 nan 0.000 0.431 112 L N 0.516 121.766 121.223 0.044 0.000 1.997 112 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 112 L C 1.924 178.831 176.870 0.060 0.000 1.074 112 L CA 1.986 56.856 54.840 0.050 0.000 0.763 112 L CB -0.283 41.808 42.059 0.053 0.000 0.890 112 L HN 0.214 nan 8.230 nan 0.000 0.434 113 M N -1.117 118.526 119.600 0.071 0.000 2.595 113 M HA 0.128 4.608 4.480 -0.000 0.000 0.248 113 M C 2.054 178.399 176.300 0.074 0.000 1.119 113 M CA 0.946 56.293 55.300 0.079 0.000 1.079 113 M CB -1.667 30.976 32.600 0.072 0.000 1.472 113 M HN 0.406 nan 8.290 nan 0.000 0.501 114 G N 0.087 108.925 108.800 0.063 0.000 2.430 114 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 114 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 114 G C 0.192 175.124 174.900 0.052 0.000 1.146 114 G CA 0.100 45.233 45.100 0.055 0.000 0.793 114 G HN 0.452 nan 8.290 nan 0.000 0.537 115 D N -0.550 119.883 120.400 0.054 0.000 2.274 115 D HA 0.343 4.983 4.640 -0.000 0.000 0.239 115 D C 1.359 177.700 176.300 0.069 0.000 1.104 115 D CA -0.536 53.495 54.000 0.053 0.000 0.840 115 D CB 1.222 42.048 40.800 0.044 0.000 1.100 115 D HN 0.008 nan 8.370 nan 0.000 0.477 116 K N 2.101 122.542 120.400 0.069 0.000 2.173 116 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 116 K C 1.699 178.360 176.600 0.102 0.000 1.046 116 K CA 1.331 57.673 56.287 0.091 0.000 0.929 116 K CB -0.351 32.193 32.500 0.073 0.000 0.720 116 K HN 0.291 nan 8.250 nan 0.000 0.453 117 V N 1.383 121.344 119.914 0.078 0.000 2.239 117 V HA -0.261 3.859 4.120 -0.000 0.000 0.242 117 V C 2.353 178.486 176.094 0.064 0.000 1.038 117 V CA 2.091 64.433 62.300 0.071 0.000 1.002 117 V CB -0.877 30.979 31.823 0.055 0.000 0.641 117 V HN 0.463 nan 8.190 nan 0.000 0.449 118 S N 1.446 117.178 115.700 0.054 0.000 2.400 118 S HA -0.207 4.263 4.470 -0.000 0.000 0.232 118 S C 2.061 176.688 174.600 0.044 0.000 1.025 118 S CA 1.447 59.673 58.200 0.043 0.000 0.993 118 S CB -0.743 62.481 63.200 0.040 0.000 0.808 118 S HN 0.617 nan 8.310 nan 0.000 0.478 119 A N 2.334 125.196 122.820 0.070 0.000 1.845 119 A HA 0.078 4.398 4.320 -0.000 0.000 0.215 119 A C 2.258 179.859 177.584 0.028 0.000 1.195 119 A CA 1.510 53.597 52.037 0.084 0.000 0.616 119 A CB -0.879 18.230 19.000 0.182 0.000 0.832 119 A HN 0.534 nan 8.150 nan 0.000 0.443 120 I N -0.212 120.411 120.570 0.089 0.000 2.286 120 I HA -0.266 3.904 4.170 -0.000 0.000 0.248 120 I C 2.977 179.087 176.117 -0.012 0.000 1.115 120 I CA 0.885 62.213 61.300 0.046 0.000 1.392 120 I CB -0.420 37.663 38.000 0.137 0.000 1.065 120 I HN 0.384 nan 8.210 nan 0.000 0.418 121 A N 1.082 123.911 122.820 0.014 0.000 1.873 121 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 121 A C 2.566 180.136 177.584 -0.023 0.000 1.193 121 A CA 2.294 54.334 52.037 0.005 0.000 0.629 121 A CB -1.014 17.997 19.000 0.019 0.000 0.826 121 A HN 0.438 nan 8.150 nan 0.000 0.447 122 A N -1.390 121.411 122.820 -0.031 0.000 1.933 122 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 122 A C 2.174 179.702 177.584 -0.094 0.000 1.175 122 A CA 1.980 53.991 52.037 -0.044 0.000 0.628 122 A CB -0.454 18.530 19.000 -0.027 0.000 0.814 122 A HN 0.457 nan 8.150 nan 0.000 0.444 123 M N -0.598 118.897 119.600 -0.176 0.000 2.200 123 M HA -0.062 4.417 4.480 -0.000 0.000 0.265 123 M C 1.931 178.132 176.300 -0.165 0.000 1.066 123 M CA 1.521 56.656 55.300 -0.274 0.000 1.127 123 M CB -1.039 31.178 32.600 -0.638 0.000 1.379 123 M HN 0.382 nan 8.290 nan 0.000 0.420 124 K N -0.001 120.339 120.400 -0.100 0.000 2.057 124 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 124 K C 2.136 178.708 176.600 -0.046 0.000 1.050 124 K CA 0.879 57.136 56.287 -0.050 0.000 0.935 124 K CB -0.084 32.408 32.500 -0.014 0.000 0.715 124 K HN 0.093 nan 8.250 nan 0.000 0.439 125 K N 0.536 120.910 120.400 -0.043 0.000 2.209 125 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 125 K C 1.749 178.321 176.600 -0.046 0.000 1.048 125 K CA 1.219 57.486 56.287 -0.033 0.000 0.940 125 K CB 0.037 32.522 32.500 -0.024 0.000 0.729 125 K HN 0.151 nan 8.250 nan 0.000 0.451 126 A N -0.500 122.279 122.820 -0.069 0.000 2.132 126 A HA 0.165 4.485 4.320 -0.000 0.000 0.213 126 A C 1.358 178.878 177.584 -0.107 0.000 1.154 126 A CA 1.222 53.208 52.037 -0.085 0.000 0.753 126 A CB 0.012 18.948 19.000 -0.105 0.000 0.826 126 A HN 0.423 nan 8.150 nan 0.000 0.469 127 G N -1.821 106.920 108.800 -0.099 0.000 2.176 127 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 127 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 127 G C 0.118 174.937 174.900 -0.134 0.000 0.986 127 G CA 0.030 45.068 45.100 -0.104 0.000 0.643 127 G HN 0.748 nan 8.290 nan 0.000 0.522 128 V N 2.739 122.565 119.914 -0.146 0.000 2.530 128 V HA 0.436 4.556 4.120 -0.000 0.000 0.282 128 V C -1.424 174.667 176.094 -0.005 0.000 1.048 128 V CA -1.350 60.876 62.300 -0.124 0.000 0.997 128 V CB 1.299 33.008 31.823 -0.190 0.000 0.987 128 V HN 0.199 nan 8.190 nan 0.000 0.477 129 P HA 0.179 nan 4.420 nan 0.000 0.265 129 P C -0.563 176.904 177.300 0.279 0.000 1.222 129 P CA -0.013 63.171 63.100 0.139 0.000 0.767 129 P CB 0.200 31.954 31.700 0.091 0.000 0.801 130 C N 2.764 122.215 119.300 0.252 0.000 2.531 130 C HA 0.438 4.898 4.460 -0.000 0.000 0.369 130 C C 0.607 175.834 174.990 0.394 0.000 1.258 130 C CA -0.794 58.427 59.018 0.339 0.000 1.876 130 C CB 1.603 29.490 27.740 0.244 0.000 2.256 130 C HN 0.322 nan 8.230 nan 0.000 0.510 131 V N 3.830 123.953 119.914 0.349 0.000 2.529 131 V HA 0.160 4.280 4.120 -0.000 0.000 0.292 131 V C -1.698 174.469 176.094 0.122 0.000 1.028 131 V CA -0.347 62.091 62.300 0.229 0.000 1.074 131 V CB 0.029 31.877 31.823 0.043 0.000 0.958 131 V HN 0.763 nan 8.190 nan 0.000 0.481 132 P HA 0.496 nan 4.420 nan 0.000 0.275 132 P C 0.041 177.309 177.300 -0.053 0.000 1.227 132 P CA 0.198 63.323 63.100 0.041 0.000 0.781 132 P CB 1.448 33.188 31.700 0.067 0.000 0.906 133 G N 0.002 108.764 108.800 -0.064 0.000 2.706 133 G HA2 0.347 4.307 3.960 -0.000 0.000 0.307 133 G HA3 0.347 4.307 3.960 -0.000 0.000 0.307 133 G C 0.711 175.566 174.900 -0.075 0.000 1.307 133 G CA 0.035 45.061 45.100 -0.124 0.000 0.790 133 G HN 0.362 nan 8.290 nan 0.000 0.503 134 S N -0.250 115.404 115.700 -0.077 0.000 2.442 134 S HA -0.008 4.462 4.470 -0.000 0.000 0.236 134 S C 0.394 175.000 174.600 0.011 0.000 1.007 134 S CA 1.530 59.719 58.200 -0.018 0.000 0.965 134 S CB -0.431 62.781 63.200 0.020 0.000 0.773 134 S HN 0.925 nan 8.310 nan 0.000 0.504 135 D N 1.334 121.743 120.400 0.016 0.000 2.990 135 D HA 0.039 4.679 4.640 -0.000 0.000 0.245 135 D C 0.519 176.854 176.300 0.058 0.000 1.120 135 D CA 1.156 55.179 54.000 0.037 0.000 0.838 135 D CB -1.980 38.837 40.800 0.028 0.000 1.000 135 D HN 1.278 nan 8.370 nan 0.000 0.420 136 G N -0.162 108.695 108.800 0.095 0.000 2.629 136 G HA2 0.048 4.008 3.960 -0.000 0.000 0.686 136 G HA3 0.048 4.008 3.960 -0.000 0.000 0.686 136 G C -2.713 172.256 174.900 0.114 0.000 1.232 136 G CA -0.660 44.499 45.100 0.099 0.000 0.803 136 G HN 0.269 nan 8.290 nan 0.000 0.638 137 P HA 0.454 nan 4.420 nan 0.000 0.269 137 P C 0.883 178.224 177.300 0.068 0.000 1.205 137 P CA 0.733 63.883 63.100 0.085 0.000 0.780 137 P CB 0.046 31.769 31.700 0.038 0.000 0.858 138 L N 0.717 121.978 121.223 0.063 0.000 2.331 138 L HA 0.870 5.210 4.340 -0.000 0.000 0.268 138 L C 1.131 178.020 176.870 0.032 0.000 1.015 138 L CA -0.111 54.757 54.840 0.046 0.000 0.807 138 L CB 0.568 42.656 42.059 0.048 0.000 1.293 138 L HN 0.624 nan 8.230 nan 0.000 0.451 139 G N -1.719 107.096 108.800 0.025 0.000 3.410 139 G HA2 0.492 4.452 3.960 -0.000 0.000 0.189 139 G HA3 0.492 4.452 3.960 -0.000 0.000 0.189 139 G C 0.515 175.426 174.900 0.018 0.000 1.404 139 G CA 1.534 46.646 45.100 0.020 0.000 0.898 139 G HN 1.249 nan 8.290 nan 0.000 0.650 140 D N -1.584 118.826 120.400 0.016 0.000 2.469 140 D HA 0.327 4.967 4.640 -0.000 0.000 0.240 140 D C 1.305 177.614 176.300 0.015 0.000 1.087 140 D CA 0.932 54.941 54.000 0.015 0.000 0.876 140 D CB -0.550 40.257 40.800 0.012 0.000 1.160 140 D HN 0.631 nan 8.370 nan 0.000 0.497 141 D N -0.062 120.347 120.400 0.015 0.000 2.738 141 D HA 0.450 5.090 4.640 -0.000 0.000 0.226 141 D C 1.723 178.034 176.300 0.018 0.000 1.070 141 D CA 0.584 54.594 54.000 0.016 0.000 1.153 141 D CB -1.306 39.503 40.800 0.014 0.000 1.141 141 D HN 0.741 nan 8.370 nan 0.000 0.459 142 M N -0.764 118.848 119.600 0.020 0.000 2.617 142 M HA 0.156 4.636 4.480 -0.000 0.000 0.258 142 M C 1.977 178.293 176.300 0.026 0.000 1.067 142 M CA 2.480 57.795 55.300 0.025 0.000 1.057 142 M CB -1.730 30.886 32.600 0.028 0.000 1.397 142 M HN 0.757 nan 8.290 nan 0.000 0.499 143 D N 0.123 120.536 120.400 0.021 0.000 2.194 143 D HA 0.168 4.808 4.640 -0.000 0.000 0.204 143 D C 2.273 178.585 176.300 0.020 0.000 0.964 143 D CA 2.450 56.463 54.000 0.021 0.000 0.846 143 D CB -0.532 40.278 40.800 0.017 0.000 0.962 143 D HN 0.825 nan 8.370 nan 0.000 0.490 144 K N 1.056 121.467 120.400 0.018 0.000 1.974 144 K HA -0.090 4.230 4.320 -0.000 0.000 0.211 144 K C 2.066 178.675 176.600 0.014 0.000 1.039 144 K CA 1.231 57.527 56.287 0.015 0.000 0.947 144 K CB -1.525 30.984 32.500 0.014 0.000 0.735 144 K HN 0.470 nan 8.250 nan 0.000 0.441 145 N N 0.098 118.808 118.700 0.016 0.000 2.073 145 N HA -0.286 4.454 4.740 -0.000 0.000 0.199 145 N C 2.333 177.849 175.510 0.010 0.000 1.023 145 N CA 2.819 55.877 53.050 0.014 0.000 0.880 145 N CB -0.308 38.191 38.487 0.021 0.000 1.052 145 N HN 0.555 nan 8.380 nan 0.000 0.449 146 R N 0.985 121.502 120.500 0.028 0.000 2.249 146 R HA 0.103 4.443 4.340 -0.000 0.000 0.230 146 R C 2.182 178.497 176.300 0.025 0.000 1.121 146 R CA 1.554 57.682 56.100 0.046 0.000 0.997 146 R CB -1.300 29.044 30.300 0.073 0.000 0.867 146 R HN 0.438 nan 8.270 nan 0.000 0.465 147 A N 0.612 123.440 122.820 0.013 0.000 1.968 147 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 147 A C 2.289 179.864 177.584 -0.014 0.000 1.169 147 A CA 1.274 53.316 52.037 0.007 0.000 0.638 147 A CB -0.099 18.907 19.000 0.010 0.000 0.812 147 A HN 0.514 nan 8.150 nan 0.000 0.446 148 I N -0.411 120.143 120.570 -0.027 0.000 2.480 148 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 148 I C 2.761 178.821 176.117 -0.095 0.000 1.124 148 I CA 0.879 62.152 61.300 -0.044 0.000 1.444 148 I CB -0.257 37.722 38.000 -0.035 0.000 1.098 148 I HN 0.243 nan 8.210 nan 0.000 0.428 149 A N 0.872 123.610 122.820 -0.137 0.000 1.972 149 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 149 A C 2.397 179.777 177.584 -0.339 0.000 1.169 149 A CA 1.651 53.500 52.037 -0.313 0.000 0.635 149 A CB -0.502 18.221 19.000 -0.462 0.000 0.810 149 A HN 0.334 nan 8.150 nan 0.000 0.446 150 K N -0.520 119.788 120.400 -0.153 0.000 2.026 150 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 150 K C 2.392 178.959 176.600 -0.054 0.000 1.048 150 K CA 1.353 57.607 56.287 -0.054 0.000 0.929 150 K CB -0.205 32.306 32.500 0.018 0.000 0.713 150 K HN 0.397 nan 8.250 nan 0.000 0.439 151 R N 1.024 121.492 120.500 -0.053 0.000 2.096 151 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 151 R C 2.136 178.411 176.300 -0.041 0.000 1.127 151 R CA 1.350 57.430 56.100 -0.033 0.000 0.968 151 R CB -0.272 30.013 30.300 -0.024 0.000 0.861 151 R HN 0.286 nan 8.270 nan 0.000 0.440 152 I N -0.290 120.230 120.570 -0.084 0.000 2.202 152 I HA -0.062 4.108 4.170 -0.000 0.000 0.242 152 I C 0.845 176.917 176.117 -0.076 0.000 1.091 152 I CA 1.217 62.465 61.300 -0.086 0.000 1.368 152 I CB -0.378 37.543 38.000 -0.133 0.000 1.058 152 I HN 0.446 nan 8.210 nan 0.000 0.410 153 G N 0.438 109.165 108.800 -0.121 0.000 3.434 153 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.686 153 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.686 153 G C -0.723 174.155 174.900 -0.036 0.000 1.099 153 G CA -0.932 44.143 45.100 -0.041 0.000 0.931 153 G HN 0.078 nan 8.290 nan 0.000 0.520 154 Y N 2.310 122.620 120.300 0.017 0.000 2.426 154 Y HA 0.439 4.989 4.550 -0.000 0.000 0.344 154 Y C -0.761 175.161 175.900 0.037 0.000 1.256 154 Y CA -0.726 57.389 58.100 0.026 0.000 1.451 154 Y CB 0.342 38.814 38.460 0.020 0.000 1.342 154 Y HN 0.487 nan 8.280 nan 0.000 0.600 155 P HA 0.262 nan 4.420 nan 0.000 0.277 155 P C -0.969 176.456 177.300 0.209 0.000 1.240 155 P CA -0.383 62.896 63.100 0.299 0.000 0.798 155 P CB 1.274 33.165 31.700 0.318 0.000 0.979 156 V N -0.018 119.987 119.914 0.153 0.000 3.103 156 V HA 0.684 4.804 4.120 -0.000 0.000 0.318 156 V C -0.471 175.632 176.094 0.015 0.000 1.114 156 V CA -1.104 61.215 62.300 0.032 0.000 1.020 156 V CB 2.107 33.854 31.823 -0.127 0.000 1.085 156 V HN 0.509 nan 8.190 nan 0.000 0.446 157 I N 1.782 122.352 120.570 -0.000 0.000 2.499 157 I HA 0.573 4.743 4.170 -0.000 0.000 0.288 157 I C -1.190 174.933 176.117 0.010 0.000 1.048 157 I CA -0.976 60.309 61.300 -0.025 0.000 1.062 157 I CB 1.687 39.685 38.000 -0.003 0.000 1.238 157 I HN 0.702 nan 8.210 nan 0.000 0.426 158 I N 8.289 128.874 120.570 0.025 0.000 2.315 158 I HA 0.359 4.529 4.170 -0.000 0.000 0.291 158 I C 0.009 176.194 176.117 0.113 0.000 1.006 158 I CA -0.031 61.312 61.300 0.072 0.000 1.265 158 I CB 0.868 38.897 38.000 0.048 0.000 1.387 158 I HN 0.486 nan 8.210 nan 0.000 0.475 170 R N 1.098 121.586 120.500 -0.019 0.000 2.486 170 R HA 0.980 5.320 4.340 -0.000 0.000 0.286 170 R C -0.487 175.760 176.300 -0.088 0.000 0.999 170 R CA -0.182 55.889 56.100 -0.048 0.000 0.993 170 R CB 1.187 31.473 30.300 -0.024 0.000 1.084 170 R HN 1.829 nan 8.270 nan 0.000 0.487 171 V N 2.360 122.187 119.914 -0.145 0.000 2.435 171 V HA 0.606 4.726 4.120 -0.000 0.000 0.290 171 V C -0.355 175.683 176.094 -0.092 0.000 1.030 171 V CA -0.674 61.496 62.300 -0.217 0.000 0.881 171 V CB 1.761 33.309 31.823 -0.458 0.000 0.983 171 V HN 0.697 nan 8.190 nan 0.000 0.445 172 V N 5.820 125.730 119.914 -0.006 0.000 2.769 172 V HA 0.550 4.670 4.120 -0.000 0.000 0.312 172 V C 0.463 176.660 176.094 0.172 0.000 1.061 172 V CA -0.729 61.622 62.300 0.085 0.000 0.931 172 V CB 1.984 33.918 31.823 0.185 0.000 1.010 172 V HN 0.890 nan 8.190 nan 0.000 0.433 173 R N 1.819 122.322 120.500 0.006 0.000 2.419 173 R HA 0.503 4.843 4.340 -0.000 0.000 0.235 173 R C 0.586 176.508 176.300 -0.630 0.000 0.899 173 R CA 0.392 56.431 56.100 -0.100 0.000 1.048 173 R CB 1.313 31.585 30.300 -0.046 0.000 1.182 173 R HN 0.794 nan 8.270 nan 0.000 0.544 174 G N 0.093 108.411 108.800 -0.803 0.000 2.703 174 G HA2 0.178 4.138 3.960 -0.000 0.000 0.294 174 G HA3 0.178 4.138 3.960 -0.000 0.000 0.294 174 G C -0.971 173.577 174.900 -0.588 0.000 1.451 174 G CA -0.624 43.921 45.100 -0.925 0.000 0.869 174 G HN -0.157 nan 8.290 nan 0.000 0.516 175 D N 0.487 120.644 120.400 -0.404 0.000 2.347 175 D HA -0.311 4.329 4.640 -0.000 0.000 0.189 175 D C 2.748 179.026 176.300 -0.035 0.000 1.020 175 D CA 3.188 57.155 54.000 -0.055 0.000 0.875 175 D CB 0.088 40.884 40.800 -0.008 0.000 0.928 175 D HN 0.652 nan 8.370 nan 0.000 0.454 176 A N 0.369 123.144 122.820 -0.075 0.000 1.882 176 A HA -0.302 4.018 4.320 -0.000 0.000 0.220 176 A C 2.215 179.783 177.584 -0.027 0.000 1.253 176 A CA 3.235 55.243 52.037 -0.047 0.000 0.664 176 A CB -1.469 17.495 19.000 -0.061 0.000 0.838 176 A HN 0.421 nan 8.150 nan 0.000 0.460 177 E N -0.983 119.194 120.200 -0.038 0.000 2.511 177 E HA 0.294 4.644 4.350 -0.000 0.000 0.196 177 E C 1.601 178.212 176.600 0.019 0.000 1.066 177 E CA 0.899 57.290 56.400 -0.014 0.000 0.871 177 E CB -0.689 28.997 29.700 -0.024 0.000 0.863 177 E HN 0.517 nan 8.360 nan 0.000 0.520 178 L N 0.372 121.621 121.223 0.042 0.000 1.961 178 L HA 0.064 4.404 4.340 -0.000 0.000 0.210 178 L C 2.890 179.787 176.870 0.046 0.000 1.072 178 L CA 2.153 57.038 54.840 0.075 0.000 0.749 178 L CB -0.849 41.279 42.059 0.116 0.000 0.889 178 L HN 0.365 nan 8.230 nan 0.000 0.432 179 A N -1.145 121.696 122.820 0.034 0.000 1.863 179 A HA -0.397 3.923 4.320 -0.000 0.000 0.218 179 A C 2.367 179.961 177.584 0.018 0.000 1.233 179 A CA 3.579 55.631 52.037 0.024 0.000 0.655 179 A CB -1.528 17.483 19.000 0.018 0.000 0.839 179 A HN 0.548 nan 8.150 nan 0.000 0.454 180 Q N -1.329 118.479 119.800 0.012 0.000 2.061 180 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 180 Q C 2.448 178.454 176.000 0.009 0.000 0.984 180 Q CA 2.549 58.356 55.803 0.007 0.000 0.846 180 Q CB -1.422 27.317 28.738 0.002 0.000 0.902 180 Q HN 0.693 nan 8.270 nan 0.000 0.421 181 S N -0.066 115.641 115.700 0.011 0.000 2.372 181 S HA -0.146 4.324 4.470 -0.000 0.000 0.227 181 S C 1.990 176.600 174.600 0.016 0.000 1.044 181 S CA 1.488 59.695 58.200 0.012 0.000 1.050 181 S CB -0.407 62.804 63.200 0.018 0.000 0.901 181 S HN 0.624 nan 8.310 nan 0.000 0.447 182 I N 0.869 121.453 120.570 0.023 0.000 2.202 182 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 182 I C 2.875 179.002 176.117 0.017 0.000 1.091 182 I CA 1.303 62.617 61.300 0.025 0.000 1.368 182 I CB -0.641 37.377 38.000 0.030 0.000 1.058 182 I HN 0.377 nan 8.210 nan 0.000 0.410 183 S N 0.710 116.418 115.700 0.014 0.000 2.359 183 S HA -0.312 4.158 4.470 -0.000 0.000 0.223 183 S C 2.289 176.893 174.600 0.007 0.000 1.039 183 S CA 3.004 61.209 58.200 0.010 0.000 1.042 183 S CB -0.901 62.304 63.200 0.008 0.000 0.915 183 S HN 0.342 nan 8.310 nan 0.000 0.439 184 M N 0.762 120.365 119.600 0.005 0.000 2.686 184 M HA 0.183 4.663 4.480 -0.000 0.000 0.246 184 M C 2.295 178.596 176.300 0.002 0.000 1.096 184 M CA 1.949 57.250 55.300 0.002 0.000 1.076 184 M CB -1.621 30.979 32.600 -0.000 0.000 1.504 184 M HN 0.513 nan 8.290 nan 0.000 0.524 185 T N 0.156 114.713 114.554 0.005 0.000 2.837 185 T HA 0.129 4.479 4.350 -0.000 0.000 0.248 185 T C 2.574 177.276 174.700 0.004 0.000 1.033 185 T CA 2.064 64.168 62.100 0.006 0.000 1.150 185 T CB -0.401 68.475 68.868 0.014 0.000 0.865 185 T HN 0.743 nan 8.240 nan 0.000 0.425 186 R N 1.569 122.073 120.500 0.005 0.000 2.154 186 R HA 0.199 4.539 4.340 -0.000 0.000 0.248 186 R C 1.589 177.887 176.300 -0.002 0.000 1.155 186 R CA 1.697 57.798 56.100 0.001 0.000 0.979 186 R CB -1.705 28.598 30.300 0.004 0.000 0.869 186 R HN 0.639 nan 8.270 nan 0.000 0.452 200 M N 1.925 121.589 119.600 0.106 0.000 2.528 200 M HA 0.694 5.174 4.480 -0.000 0.000 0.321 200 M C -1.503 174.645 176.300 -0.253 0.000 1.153 200 M CA -0.353 54.921 55.300 -0.044 0.000 0.951 200 M CB 2.503 35.086 32.600 -0.029 0.000 1.705 200 M HN 0.892 nan 8.290 nan 0.000 0.451 201 E N 1.961 122.040 120.200 -0.202 0.000 2.390 201 E HA 0.304 4.654 4.350 -0.000 0.000 0.277 201 E C -1.746 174.782 176.600 -0.120 0.000 0.939 201 E CA -0.813 55.447 56.400 -0.234 0.000 0.769 201 E CB 2.303 31.818 29.700 -0.308 0.000 1.251 201 E HN 0.643 nan 8.360 nan 0.000 0.450 202 K N 2.421 122.747 120.400 -0.124 0.000 2.350 202 K HA 0.068 4.388 4.320 -0.000 0.000 0.279 202 K C -1.359 175.207 176.600 -0.057 0.000 1.027 202 K CA -0.264 55.963 56.287 -0.101 0.000 0.969 202 K CB 0.468 32.878 32.500 -0.150 0.000 0.954 202 K HN 0.438 nan 8.250 nan 0.000 0.474 203 Y N 5.186 125.408 120.300 -0.131 0.000 2.330 203 Y HA 0.331 4.881 4.550 -0.000 0.000 0.336 203 Y C -1.183 174.653 175.900 -0.107 0.000 1.036 203 Y CA -0.887 57.156 58.100 -0.095 0.000 1.125 203 Y CB 0.828 39.267 38.460 -0.035 0.000 1.194 203 Y HN 0.481 nan 8.280 nan 0.000 0.469 204 L N 6.792 127.575 121.223 -0.733 0.000 2.335 204 L HA 0.398 4.738 4.340 -0.000 0.000 0.268 204 L C 0.963 177.374 176.870 -0.765 0.000 1.037 204 L CA -0.219 54.250 54.840 -0.618 0.000 0.895 204 L CB 1.158 42.986 42.059 -0.383 0.000 1.266 204 L HN 0.738 nan 8.230 nan 0.000 0.439 205 E N 1.623 121.392 120.200 -0.719 0.000 2.047 205 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 205 E C 0.162 176.740 176.600 -0.036 0.000 0.987 205 E CA 0.987 57.169 56.400 -0.364 0.000 0.799 205 E CB 0.388 30.058 29.700 -0.050 0.000 0.752 205 E HN 0.585 nan 8.360 nan 0.000 0.449 206 N N 0.902 119.570 118.700 -0.052 0.000 2.765 206 N HA 0.229 4.969 4.740 -0.000 0.000 0.277 206 N C -2.679 172.804 175.510 -0.045 0.000 1.750 206 N CA -0.992 52.066 53.050 0.014 0.000 0.827 206 N CB 1.540 40.048 38.487 0.035 0.000 1.200 206 N HN 0.097 nan 8.380 nan 0.000 0.494 207 P HA 0.447 nan 4.420 nan 0.000 0.283 207 P C -0.294 177.008 177.300 0.003 0.000 1.271 207 P CA -0.513 62.561 63.100 -0.044 0.000 0.841 207 P CB 1.900 33.581 31.700 -0.032 0.000 1.122 208 R N -0.189 120.369 120.500 0.097 0.000 2.668 208 R HA 0.385 4.725 4.340 -0.000 0.000 0.279 208 R C 0.214 176.638 176.300 0.208 0.000 0.976 208 R CA -0.670 55.526 56.100 0.160 0.000 0.978 208 R CB 0.867 31.297 30.300 0.216 0.000 1.133 208 R HN 0.592 nan 8.270 nan 0.000 0.484 209 H N 2.702 121.840 119.070 0.113 0.000 2.690 209 H HA 0.272 4.828 4.556 -0.000 0.000 0.289 209 H C -1.316 174.102 175.328 0.151 0.000 1.089 209 H CA -0.194 55.930 56.048 0.125 0.000 1.299 209 H CB 0.514 30.320 29.762 0.075 0.000 1.405 209 H HN 0.159 nan 8.280 nan 0.000 0.463 210 V N 6.835 126.752 119.914 0.004 0.000 2.487 210 V HA 0.239 4.359 4.120 -0.000 0.000 0.298 210 V C -0.260 175.912 176.094 0.131 0.000 1.028 210 V CA -0.751 61.617 62.300 0.114 0.000 0.860 210 V CB 1.817 33.722 31.823 0.136 0.000 0.991 210 V HN 0.829 nan 8.190 nan 0.000 0.427 211 E N 5.308 125.598 120.200 0.150 0.000 2.317 211 E HA 0.668 5.018 4.350 -0.000 0.000 0.270 211 E C -1.666 175.053 176.600 0.198 0.000 0.885 211 E CA -0.976 55.538 56.400 0.190 0.000 0.760 211 E CB 2.718 32.499 29.700 0.135 0.000 1.227 211 E HN 0.384 nan 8.360 nan 0.000 0.434 212 I N 1.978 122.705 120.570 0.262 0.000 2.354 212 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 212 I C -0.136 176.114 176.117 0.222 0.000 0.989 212 I CA -0.793 60.631 61.300 0.207 0.000 1.188 212 I CB 1.167 39.265 38.000 0.163 0.000 1.342 212 I HN 0.698 nan 8.210 nan 0.000 0.457 213 Q N 5.874 125.778 119.800 0.173 0.000 2.286 213 Q HA 0.534 4.874 4.340 -0.000 0.000 0.257 213 Q C -0.877 175.233 176.000 0.183 0.000 0.941 213 Q CA -0.255 55.642 55.803 0.156 0.000 0.912 213 Q CB 1.332 30.144 28.738 0.122 0.000 1.192 213 Q HN 0.563 nan 8.270 nan 0.000 0.410 214 V N 1.578 121.594 119.914 0.170 0.000 3.102 214 V HA 0.782 4.902 4.120 -0.000 0.000 0.312 214 V C -1.072 175.104 176.094 0.136 0.000 1.135 214 V CA -1.068 61.337 62.300 0.175 0.000 1.022 214 V CB 2.065 34.029 31.823 0.235 0.000 1.056 214 V HN 0.747 nan 8.190 nan 0.000 0.436 215 L N 1.679 122.982 121.223 0.134 0.000 2.493 215 L HA 0.914 5.254 4.340 -0.000 0.000 0.265 215 L C -0.347 176.609 176.870 0.142 0.000 0.954 215 L CA -0.573 54.346 54.840 0.132 0.000 0.844 215 L CB 2.085 44.187 42.059 0.072 0.000 1.302 215 L HN 1.121 nan 8.230 nan 0.000 0.405 216 A N 0.802 123.731 122.820 0.183 0.000 2.414 216 A HA 0.639 4.959 4.320 -0.000 0.000 0.306 216 A C -0.488 177.149 177.584 0.088 0.000 1.054 216 A CA -0.550 51.584 52.037 0.160 0.000 0.724 216 A CB 1.362 20.528 19.000 0.276 0.000 1.267 216 A HN 0.808 nan 8.150 nan 0.000 0.418 217 D N 0.320 120.752 120.400 0.052 0.000 2.349 217 D HA 0.314 4.954 4.640 -0.000 0.000 0.214 217 D C 1.190 177.491 176.300 0.002 0.000 1.063 217 D CA 0.958 54.968 54.000 0.018 0.000 0.847 217 D CB 0.242 41.048 40.800 0.009 0.000 0.933 217 D HN 1.520 nan 8.370 nan 0.000 0.513 218 G N 0.699 109.507 108.800 0.013 0.000 2.304 218 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.252 218 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.252 218 G C 0.820 175.725 174.900 0.007 0.000 1.014 218 G CA 0.296 45.395 45.100 -0.002 0.000 0.619 218 G HN 0.465 nan 8.290 nan 0.000 0.525 219 Q N 0.295 120.100 119.800 0.008 0.000 2.244 219 Q HA 0.446 4.786 4.340 -0.000 0.000 0.239 219 Q C 1.748 177.755 176.000 0.013 0.000 0.890 219 Q CA 0.551 56.358 55.803 0.007 0.000 0.964 219 Q CB 0.287 29.026 28.738 0.002 0.000 1.076 219 Q HN 1.496 nan 8.270 nan 0.000 0.447 220 G N 0.831 109.644 108.800 0.022 0.000 2.225 220 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 220 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 220 G C 0.009 174.926 174.900 0.028 0.000 0.988 220 G CA -0.280 44.834 45.100 0.024 0.000 0.625 220 G HN 0.407 nan 8.290 nan 0.000 0.527 221 N N 1.019 119.736 118.700 0.029 0.000 2.473 221 N HA 0.667 5.407 4.740 -0.000 0.000 0.291 221 N C -0.200 175.338 175.510 0.048 0.000 1.083 221 N CA 0.568 53.635 53.050 0.028 0.000 0.951 221 N CB 1.939 40.434 38.487 0.014 0.000 1.164 221 N HN 0.981 nan 8.380 nan 0.000 0.480 222 A N 1.746 124.594 122.820 0.047 0.000 2.488 222 A HA 0.640 4.960 4.320 -0.000 0.000 0.295 222 A C -0.652 176.964 177.584 0.054 0.000 1.045 222 A CA -0.784 51.295 52.037 0.072 0.000 0.703 222 A CB 1.047 20.106 19.000 0.097 0.000 1.271 222 A HN 0.701 nan 8.150 nan 0.000 0.400 223 I N -0.615 119.982 120.570 0.046 0.000 2.934 223 I HA 0.898 5.068 4.170 -0.000 0.000 0.306 223 I C -1.032 175.103 176.117 0.029 0.000 1.110 223 I CA -1.221 60.065 61.300 -0.024 0.000 1.019 223 I CB 2.189 40.115 38.000 -0.125 0.000 1.227 223 I HN 0.762 nan 8.210 nan 0.000 0.434 224 Y N 2.549 122.837 120.300 -0.020 0.000 2.487 224 Y HA 0.791 5.341 4.550 -0.000 0.000 0.337 224 Y C -1.056 174.835 175.900 -0.015 0.000 1.076 224 Y CA -1.702 56.390 58.100 -0.013 0.000 1.115 224 Y CB 1.265 39.698 38.460 -0.046 0.000 1.235 224 Y HN 0.456 nan 8.280 nan 0.000 0.468 225 L N 3.865 125.140 121.223 0.086 0.000 2.935 225 L HA 0.683 5.023 4.340 -0.000 0.000 0.243 225 L C 0.543 177.468 176.870 0.091 0.000 1.313 225 L CA 0.341 55.194 54.840 0.023 0.000 0.969 225 L CB -0.273 41.798 42.059 0.020 0.000 1.320 225 L HN 1.135 nan 8.230 nan 0.000 0.511 226 A N 0.382 123.303 122.820 0.168 0.000 6.219 226 A HA -0.086 4.234 4.320 -0.000 0.000 0.263 226 A C 0.313 177.962 177.584 0.109 0.000 2.100 226 A CA 1.117 53.240 52.037 0.145 0.000 0.709 226 A CB -0.631 18.416 19.000 0.078 0.000 1.081 226 A HN 0.588 nan 8.150 nan 0.000 0.372 227 E N 0.337 120.575 120.200 0.065 0.000 2.423 227 E HA 0.827 5.177 4.350 -0.000 0.000 0.269 227 E C -0.586 176.046 176.600 0.053 0.000 0.948 227 E CA -0.864 55.572 56.400 0.060 0.000 0.802 227 E CB 1.300 31.016 29.700 0.027 0.000 1.339 227 E HN 0.848 nan 8.360 nan 0.000 0.445 228 R N 0.160 120.706 120.500 0.076 0.000 2.725 228 R HA 0.392 4.732 4.340 -0.000 0.000 0.277 228 R C -1.090 175.278 176.300 0.114 0.000 0.987 228 R CA -0.878 55.267 56.100 0.076 0.000 0.901 228 R CB 1.611 31.961 30.300 0.083 0.000 1.207 228 R HN 0.519 nan 8.270 nan 0.000 0.463 229 D N 1.423 121.891 120.400 0.112 0.000 2.280 229 D HA 0.227 4.867 4.640 -0.000 0.000 0.236 229 D C -0.509 175.893 176.300 0.170 0.000 1.082 229 D CA -0.373 53.717 54.000 0.150 0.000 0.834 229 D CB 1.319 42.194 40.800 0.124 0.000 1.100 229 D HN 0.575 nan 8.370 nan 0.000 0.486 230 C N 2.970 122.408 119.300 0.229 0.000 2.660 230 C HA 0.210 4.670 4.460 -0.000 0.000 0.265 230 C C 1.902 176.924 174.990 0.053 0.000 1.573 230 C CA -0.522 58.561 59.018 0.108 0.000 1.751 230 C CB -1.188 26.555 27.740 0.006 0.000 3.033 230 C HN 0.531 nan 8.230 nan 0.000 0.511 231 S N 1.120 116.895 115.700 0.125 0.000 2.423 231 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 231 S C 1.109 175.743 174.600 0.056 0.000 1.014 231 S CA 1.018 59.279 58.200 0.102 0.000 0.965 231 S CB -0.128 63.144 63.200 0.120 0.000 0.785 231 S HN 0.610 nan 8.310 nan 0.000 0.495 232 M N 2.939 122.575 119.600 0.061 0.000 2.538 232 M HA 0.264 4.744 4.480 -0.000 0.000 0.327 232 M C -0.166 176.122 176.300 -0.020 0.000 1.545 232 M CA 0.869 56.193 55.300 0.040 0.000 1.380 232 M CB -0.673 31.938 32.600 0.019 0.000 1.657 232 M HN 0.285 nan 8.290 nan 0.000 0.459 233 Q N 1.637 121.418 119.800 -0.032 0.000 2.423 233 Q HA 0.632 4.972 4.340 -0.000 0.000 0.278 233 Q C -0.597 175.332 176.000 -0.119 0.000 1.097 233 Q CA -0.909 54.842 55.803 -0.087 0.000 0.809 233 Q CB 3.473 32.153 28.738 -0.097 0.000 1.391 233 Q HN 0.482 nan 8.270 nan 0.000 0.428 234 R N 1.410 121.807 120.500 -0.172 0.000 2.510 234 R HA 0.301 4.641 4.340 -0.000 0.000 0.294 234 R C -1.000 175.148 176.300 -0.253 0.000 1.056 234 R CA -0.471 55.483 56.100 -0.244 0.000 0.918 234 R CB 0.745 30.848 30.300 -0.328 0.000 1.187 234 R HN 0.677 nan 8.270 nan 0.000 0.437 235 R N 2.297 122.620 120.500 -0.296 0.000 3.525 235 R HA -0.204 4.136 4.340 -0.000 0.000 0.276 235 R C -0.486 175.714 176.300 -0.167 0.000 1.116 235 R CA 1.398 57.348 56.100 -0.251 0.000 0.745 235 R CB -2.626 27.584 30.300 -0.149 0.000 1.185 235 R HN 1.115 nan 8.270 nan 0.000 0.454 236 H N -3.593 115.439 119.070 -0.063 0.000 2.992 236 H HA -0.223 4.333 4.556 -0.000 0.000 0.266 236 H C -0.043 175.228 175.328 -0.094 0.000 1.200 236 H CA 1.289 57.298 56.048 -0.065 0.000 1.135 236 H CB -0.765 28.973 29.762 -0.040 0.000 1.282 236 H HN 0.551 nan 8.280 nan 0.000 0.351 237 Q N 1.001 120.764 119.800 -0.062 0.000 2.331 237 Q HA 0.348 4.688 4.340 -0.000 0.000 0.267 237 Q C -0.584 175.352 176.000 -0.107 0.000 1.006 237 Q CA -0.905 54.851 55.803 -0.080 0.000 0.818 237 Q CB 1.108 29.795 28.738 -0.085 0.000 1.276 237 Q HN 0.214 nan 8.270 nan 0.000 0.450 238 K N 1.732 122.061 120.400 -0.118 0.000 2.451 238 K HA 0.046 4.366 4.320 -0.000 0.000 0.280 238 K C 0.013 176.563 176.600 -0.083 0.000 1.020 238 K CA -0.060 56.156 56.287 -0.118 0.000 1.008 238 K CB 0.932 33.350 32.500 -0.136 0.000 0.917 238 K HN 0.395 nan 8.250 nan 0.000 0.478 239 V N 2.632 122.508 119.914 -0.064 0.000 3.359 239 V HA 0.035 4.155 4.120 -0.000 0.000 0.245 239 V C -0.020 176.054 176.094 -0.034 0.000 1.247 239 V CA 0.227 62.501 62.300 -0.045 0.000 1.145 239 V CB 1.232 33.029 31.823 -0.044 0.000 0.906 239 V HN 0.452 nan 8.190 nan 0.000 0.464 240 V N 0.766 120.660 119.914 -0.033 0.000 2.709 240 V HA 0.575 4.695 4.120 -0.000 0.000 0.308 240 V C -1.170 174.944 176.094 0.033 0.000 1.062 240 V CA -0.611 61.681 62.300 -0.014 0.000 0.901 240 V CB 2.215 33.994 31.823 -0.074 0.000 1.003 240 V HN 0.411 nan 8.190 nan 0.000 0.425 241 E N 2.596 122.829 120.200 0.055 0.000 2.288 241 E HA 0.730 5.080 4.350 -0.000 0.000 0.268 241 E C -1.093 175.569 176.600 0.104 0.000 0.885 241 E CA -0.800 55.643 56.400 0.071 0.000 0.767 241 E CB 2.588 32.306 29.700 0.030 0.000 1.220 241 E HN 0.861 nan 8.360 nan 0.000 0.427 242 E N 0.346 120.610 120.200 0.107 0.000 2.408 242 E HA 0.858 5.208 4.350 -0.000 0.000 0.275 242 E C -1.541 175.050 176.600 -0.015 0.000 0.935 242 E CA -1.478 54.970 56.400 0.080 0.000 0.775 242 E CB 1.958 31.783 29.700 0.208 0.000 1.277 242 E HN 0.428 nan 8.360 nan 0.000 0.455 243 A N 1.877 124.588 122.820 -0.183 0.000 2.520 243 A HA 0.702 5.022 4.320 -0.000 0.000 0.298 243 A C -2.826 174.434 177.584 -0.541 0.000 1.051 243 A CA -1.519 50.388 52.037 -0.218 0.000 0.690 243 A CB 1.598 20.546 19.000 -0.087 0.000 1.281 243 A HN 0.507 nan 8.150 nan 0.000 0.402 244 P HA 0.448 nan 4.420 nan 0.000 0.289 244 P C -0.132 177.147 177.300 -0.035 0.000 1.299 244 P CA -0.220 62.815 63.100 -0.107 0.000 0.766 244 P CB 0.605 32.296 31.700 -0.015 0.000 1.226 245 A N 0.428 123.258 122.820 0.016 0.000 2.354 245 A HA 0.477 4.797 4.320 -0.000 0.000 0.281 245 A C -2.172 175.444 177.584 0.053 0.000 1.174 245 A CA -1.416 50.644 52.037 0.039 0.000 0.828 245 A CB -1.227 17.767 19.000 -0.009 0.000 1.099 245 A HN 0.334 nan 8.150 nan 0.000 0.516 246 P HA 0.292 nan 4.420 nan 0.000 0.268 246 P C 1.119 178.432 177.300 0.021 0.000 1.204 246 P CA 1.670 64.796 63.100 0.045 0.000 0.768 246 P CB 0.925 32.623 31.700 -0.003 0.000 0.842 247 G N 2.812 111.622 108.800 0.017 0.000 2.241 247 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.244 247 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.244 247 G C 0.179 175.095 174.900 0.026 0.000 0.998 247 G CA -0.502 44.616 45.100 0.030 0.000 0.621 247 G HN 0.478 nan 8.290 nan 0.000 0.519 248 I N 3.259 123.820 120.570 -0.015 0.000 2.452 248 I HA 0.294 4.464 4.170 -0.000 0.000 0.287 248 I C 1.441 177.562 176.117 0.008 0.000 1.079 248 I CA 0.734 62.011 61.300 -0.039 0.000 1.387 248 I CB 0.384 38.333 38.000 -0.084 0.000 1.404 248 I HN 0.392 nan 8.210 nan 0.000 0.522 249 T N 4.554 119.122 114.554 0.024 0.000 2.897 249 T HA 0.401 4.751 4.350 -0.000 0.000 0.278 249 T C -1.923 172.799 174.700 0.036 0.000 0.981 249 T CA -1.729 60.389 62.100 0.030 0.000 0.973 249 T CB 1.515 70.401 68.868 0.030 0.000 1.092 249 T HN 0.262 nan 8.240 nan 0.000 0.543 250 P HA 0.011 nan 4.420 nan 0.000 0.218 250 P C 1.060 178.391 177.300 0.050 0.000 1.149 250 P CA 0.930 64.060 63.100 0.050 0.000 0.817 250 P CB 0.059 31.789 31.700 0.050 0.000 0.785 251 E N -0.424 119.802 120.200 0.043 0.000 2.046 251 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 251 E C 2.061 178.698 176.600 0.060 0.000 0.982 251 E CA 0.825 57.252 56.400 0.045 0.000 0.800 251 E CB -1.162 28.554 29.700 0.026 0.000 0.756 251 E HN 0.151 nan 8.360 nan 0.000 0.449 252 L N 0.622 121.884 121.223 0.064 0.000 2.083 252 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 252 L C 2.674 179.578 176.870 0.056 0.000 1.083 252 L CA 1.274 56.184 54.840 0.117 0.000 0.752 252 L CB -0.214 41.939 42.059 0.157 0.000 0.899 252 L HN 0.097 nan 8.230 nan 0.000 0.433 253 R N 0.083 120.591 120.500 0.014 0.000 2.073 253 R HA -0.217 4.123 4.340 -0.000 0.000 0.234 253 R C 2.508 178.727 176.300 -0.136 0.000 1.134 253 R CA 1.650 57.721 56.100 -0.048 0.000 0.952 253 R CB -0.278 30.041 30.300 0.033 0.000 0.850 253 R HN 0.187 nan 8.270 nan 0.000 0.433 254 R N -0.550 119.932 120.500 -0.030 0.000 2.081 254 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 254 R C 2.178 178.365 176.300 -0.188 0.000 1.131 254 R CA 1.910 57.977 56.100 -0.055 0.000 0.960 254 R CB -0.575 29.762 30.300 0.061 0.000 0.856 254 R HN 0.397 nan 8.270 nan 0.000 0.436 255 Y N 0.779 120.952 120.300 -0.211 0.000 2.053 255 Y HA -0.297 4.253 4.550 -0.000 0.000 0.277 255 Y C 2.160 177.828 175.900 -0.388 0.000 1.159 255 Y CA 2.108 60.070 58.100 -0.230 0.000 1.125 255 Y CB -0.333 38.040 38.460 -0.144 0.000 0.969 255 Y HN 0.109 nan 8.280 nan 0.000 0.492 256 I N 0.677 120.924 120.570 -0.540 0.000 2.315 256 I HA -0.087 4.083 4.170 -0.000 0.000 0.248 256 I C 2.478 178.072 176.117 -0.872 0.000 1.117 256 I CA 1.770 62.545 61.300 -0.874 0.000 1.404 256 I CB -1.041 36.189 38.000 -1.283 0.000 1.071 256 I HN 0.360 nan 8.210 nan 0.000 0.419 257 G N -0.404 107.818 108.800 -0.964 0.000 2.440 257 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 257 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 257 G C 1.584 175.729 174.900 -1.257 0.000 1.154 257 G CA 0.846 45.011 45.100 -1.558 0.000 0.767 257 G HN 0.479 nan 8.290 nan 0.000 0.552 258 E N -0.122 119.562 120.200 -0.859 0.000 2.110 258 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 258 E C 2.740 179.110 176.600 -0.384 0.000 0.988 258 E CA 0.484 56.642 56.400 -0.403 0.000 0.804 258 E CB -0.055 29.491 29.700 -0.256 0.000 0.745 258 E HN 0.311 nan 8.360 nan 0.000 0.458 259 R N -0.132 120.045 120.500 -0.538 0.000 2.092 259 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 259 R C 2.413 178.409 176.300 -0.507 0.000 1.119 259 R CA 1.180 56.977 56.100 -0.506 0.000 0.970 259 R CB -0.200 29.718 30.300 -0.637 0.000 0.864 259 R HN 0.220 nan 8.270 nan 0.000 0.440 260 C N -0.366 118.568 119.300 -0.611 0.000 2.446 260 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 260 C C 2.823 177.549 174.990 -0.440 0.000 1.275 260 C CA 0.679 59.206 59.018 -0.817 0.000 1.727 260 C CB -0.841 26.431 27.740 -0.781 0.000 2.010 260 C HN 0.601 nan 8.230 nan 0.000 0.486 261 A N 0.452 123.144 122.820 -0.212 0.000 1.902 261 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 261 A C 2.263 179.819 177.584 -0.047 0.000 1.181 261 A CA 1.922 53.944 52.037 -0.024 0.000 0.623 261 A CB -0.607 18.456 19.000 0.105 0.000 0.818 261 A HN 0.654 nan 8.150 nan 0.000 0.443 262 K N -0.270 120.062 120.400 -0.114 0.000 2.063 262 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 262 K C 2.178 178.736 176.600 -0.071 0.000 1.048 262 K CA 1.309 57.543 56.287 -0.089 0.000 0.928 262 K CB -0.354 32.073 32.500 -0.121 0.000 0.713 262 K HN 0.383 nan 8.250 nan 0.000 0.442 263 A N 0.933 123.675 122.820 -0.130 0.000 1.940 263 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 263 A C 2.478 180.105 177.584 0.071 0.000 1.176 263 A CA 1.791 53.792 52.037 -0.061 0.000 0.631 263 A CB -1.034 17.877 19.000 -0.148 0.000 0.814 263 A HN 0.562 nan 8.150 nan 0.000 0.446 264 C N -1.338 118.025 119.300 0.106 0.000 2.413 264 C HA -0.094 4.366 4.460 -0.000 0.000 0.276 264 C C 2.756 177.841 174.990 0.157 0.000 1.236 264 C CA 1.198 60.323 59.018 0.179 0.000 1.735 264 C CB -1.295 26.558 27.740 0.188 0.000 2.031 264 C HN 0.490 nan 8.230 nan 0.000 0.474 265 V N 1.164 121.134 119.914 0.094 0.000 2.295 265 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 265 V C 2.096 178.224 176.094 0.057 0.000 1.049 265 V CA 2.338 64.680 62.300 0.069 0.000 1.024 265 V CB -0.834 31.013 31.823 0.039 0.000 0.648 265 V HN 0.442 nan 8.190 nan 0.000 0.447 266 D N 0.552 120.976 120.400 0.039 0.000 2.133 266 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 266 D C 1.842 178.170 176.300 0.047 0.000 0.997 266 D CA 2.036 56.053 54.000 0.027 0.000 0.840 266 D CB -0.290 40.512 40.800 0.003 0.000 0.947 266 D HN 0.676 nan 8.370 nan 0.000 0.452 267 I N -3.719 116.899 120.570 0.080 0.000 3.793 267 I HA 0.303 4.473 4.170 -0.000 0.000 0.315 267 I C 1.050 177.237 176.117 0.117 0.000 1.275 267 I CA 0.461 61.820 61.300 0.098 0.000 1.214 267 I CB -0.084 37.988 38.000 0.120 0.000 1.018 267 I HN 0.019 nan 8.210 nan 0.000 0.439 268 G N 1.575 110.442 108.800 0.112 0.000 2.246 268 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.273 268 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.273 268 G C -0.014 174.951 174.900 0.110 0.000 1.055 268 G CA 0.280 45.433 45.100 0.089 0.000 0.851 268 G HN 0.675 nan 8.290 nan 0.000 0.500 269 Y N 0.450 120.774 120.300 0.040 0.000 2.497 269 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 269 Y C 0.940 176.860 175.900 0.033 0.000 1.199 269 Y CA 0.366 58.490 58.100 0.040 0.000 1.425 269 Y CB 0.539 39.035 38.460 0.060 0.000 1.291 269 Y HN 0.448 nan 8.280 nan 0.000 0.562 270 R N 4.251 124.348 120.500 -0.672 0.000 2.538 270 R HA 0.595 4.935 4.340 -0.000 0.000 0.292 270 R C -0.469 175.546 176.300 -0.476 0.000 1.008 270 R CA 0.211 56.094 56.100 -0.361 0.000 0.896 270 R CB 1.236 31.398 30.300 -0.230 0.000 1.187 270 R HN 0.998 nan 8.270 nan 0.000 0.440 271 G N 1.858 110.573 108.800 -0.141 0.000 2.447 271 G HA2 0.114 4.074 3.960 -0.000 0.000 0.220 271 G HA3 0.114 4.074 3.960 -0.000 0.000 0.220 271 G C -1.158 173.846 174.900 0.173 0.000 1.261 271 G CA -0.432 44.639 45.100 -0.048 0.000 1.000 271 G HN 0.883 nan 8.290 nan 0.000 0.515 272 A N -0.486 122.420 122.820 0.144 0.000 2.327 272 A HA 0.986 5.306 4.320 -0.000 0.000 0.283 272 A C 0.762 178.505 177.584 0.264 0.000 1.127 272 A CA 1.040 53.182 52.037 0.175 0.000 0.810 272 A CB 1.125 20.169 19.000 0.072 0.000 1.066 272 A HN 2.558 nan 8.150 nan 0.000 0.492 273 G N -0.415 108.472 108.800 0.146 0.000 2.660 273 G HA2 0.601 4.561 3.960 -0.000 0.000 0.290 273 G HA3 0.601 4.561 3.960 -0.000 0.000 0.290 273 G C -1.157 173.686 174.900 -0.095 0.000 1.432 273 G CA -0.361 44.720 45.100 -0.032 0.000 0.807 273 G HN 0.794 nan 8.290 nan 0.000 0.485 274 T N 0.480 114.932 114.554 -0.171 0.000 2.921 274 T HA 0.527 4.877 4.350 -0.000 0.000 0.297 274 T C -1.357 173.229 174.700 -0.190 0.000 1.013 274 T CA -0.194 61.865 62.100 -0.069 0.000 0.990 274 T CB 1.157 70.029 68.868 0.006 0.000 1.023 274 T HN 0.291 nan 8.240 nan 0.000 0.447 275 F N 2.262 122.201 119.950 -0.018 0.000 2.385 275 F HA 0.371 4.898 4.527 -0.000 0.000 0.360 275 F C 1.017 176.666 175.800 -0.251 0.000 1.122 275 F CA -0.783 57.158 58.000 -0.099 0.000 1.090 275 F CB 0.920 39.941 39.000 0.034 0.000 1.150 275 F HN 0.432 nan 8.300 nan 0.000 0.472 276 E N 3.724 123.734 120.200 -0.318 0.000 2.197 276 E HA 0.491 4.841 4.350 -0.000 0.000 0.281 276 E C -1.209 174.972 176.600 -0.699 0.000 0.995 276 E CA -0.472 55.705 56.400 -0.371 0.000 0.808 276 E CB 1.408 30.957 29.700 -0.252 0.000 1.093 276 E HN 0.347 nan 8.360 nan 0.000 0.394 277 F N 1.388 121.271 119.950 -0.113 0.000 2.588 277 F HA 0.401 4.928 4.527 -0.000 0.000 0.314 277 F C -0.186 175.625 175.800 0.019 0.000 1.069 277 F CA -0.927 57.106 58.000 0.055 0.000 0.931 277 F CB 1.121 40.317 39.000 0.327 0.000 1.260 277 F HN 0.160 nan 8.300 nan 0.000 0.465 278 L N 2.225 123.653 121.223 0.341 0.000 2.312 278 L HA 0.416 4.756 4.340 -0.000 0.000 0.281 278 L C -1.098 176.026 176.870 0.424 0.000 1.070 278 L CA -0.546 54.464 54.840 0.282 0.000 0.805 278 L CB 1.439 43.621 42.059 0.205 0.000 1.174 278 L HN 0.571 nan 8.230 nan 0.000 0.434 279 F N 3.355 123.349 119.950 0.075 0.000 2.493 279 F HA 0.482 5.008 4.527 -0.000 0.000 0.329 279 F C -0.362 175.390 175.800 -0.080 0.000 1.126 279 F CA -0.281 57.643 58.000 -0.126 0.000 0.937 279 F CB 1.268 40.115 39.000 -0.256 0.000 1.146 279 F HN 0.437 nan 8.300 nan 0.000 0.442 280 E N 4.848 124.609 120.200 -0.732 0.000 2.347 280 E HA 0.164 4.514 4.350 -0.000 0.000 0.285 280 E C -1.071 175.175 176.600 -0.590 0.000 0.925 280 E CA -0.581 55.480 56.400 -0.565 0.000 0.779 280 E CB 1.211 30.798 29.700 -0.189 0.000 1.233 280 E HN 0.801 nan 8.360 nan 0.000 0.414 281 N N 2.220 120.588 118.700 -0.553 0.000 2.740 281 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 281 N C 0.554 175.820 175.510 -0.406 0.000 1.062 281 N CA 1.585 54.416 53.050 -0.364 0.000 0.704 281 N CB -1.369 37.005 38.487 -0.188 0.000 0.968 281 N HN 0.982 nan 8.380 nan 0.000 0.547 282 G N -1.264 107.129 108.800 -0.678 0.000 2.179 282 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 282 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 282 G C -0.175 174.529 174.900 -0.326 0.000 0.977 282 G CA 0.805 45.690 45.100 -0.358 0.000 0.641 282 G HN 0.566 nan 8.290 nan 0.000 0.533 283 E N -1.032 118.814 120.200 -0.590 0.000 2.277 283 E HA 0.679 5.029 4.350 -0.000 0.000 0.266 283 E C -0.952 175.347 176.600 -0.500 0.000 0.901 283 E CA -0.863 55.291 56.400 -0.410 0.000 0.782 283 E CB 1.399 30.884 29.700 -0.359 0.000 1.228 283 E HN 0.104 nan 8.360 nan 0.000 0.424 284 F N 1.009 120.825 119.950 -0.223 0.000 2.458 284 F HA 0.414 4.941 4.527 -0.000 0.000 0.330 284 F C -0.613 174.959 175.800 -0.379 0.000 1.082 284 F CA -0.602 57.338 58.000 -0.101 0.000 0.995 284 F CB 1.049 39.885 39.000 -0.273 0.000 1.170 284 F HN 0.336 nan 8.300 nan 0.000 0.478 285 Y N 2.480 123.119 120.300 0.565 0.000 2.322 285 Y HA 0.259 4.809 4.550 -0.000 0.000 0.324 285 Y C -0.442 175.746 175.900 0.480 0.000 1.027 285 Y CA -1.324 57.041 58.100 0.442 0.000 1.179 285 Y CB 1.166 39.754 38.460 0.214 0.000 1.136 285 Y HN 0.487 nan 8.280 nan 0.000 0.449 286 F N 4.352 124.557 119.950 0.425 0.000 2.608 286 F HA 0.146 4.673 4.527 -0.000 0.000 0.380 286 F C 0.218 176.017 175.800 -0.001 0.000 1.083 286 F CA 0.581 58.586 58.000 0.009 0.000 1.266 286 F CB 0.497 39.507 39.000 0.016 0.000 1.076 286 F HN 0.570 nan 8.300 nan 0.000 0.574 287 I N 2.780 122.787 120.570 -0.939 0.000 3.345 287 I HA 0.154 4.324 4.170 -0.000 0.000 0.258 287 I C -0.212 175.189 176.117 -1.193 0.000 1.134 287 I CA 0.194 61.068 61.300 -0.710 0.000 1.457 287 I CB 0.132 37.893 38.000 -0.398 0.000 1.425 287 I HN 0.702 nan 8.210 nan 0.000 0.461 288 E N 0.539 119.876 120.200 -1.440 0.000 2.422 288 E HA 0.355 4.705 4.350 -0.000 0.000 0.280 288 E C -1.100 175.183 176.600 -0.529 0.000 1.091 288 E CA -0.835 54.978 56.400 -0.978 0.000 0.849 288 E CB 1.888 31.370 29.700 -0.363 0.000 1.353 288 E HN -0.000 nan 8.360 nan 0.000 0.449 289 M N 2.022 121.551 119.600 -0.118 0.000 2.294 289 M HA 0.424 4.904 4.480 -0.000 0.000 0.335 289 M C -1.511 174.689 176.300 -0.167 0.000 1.079 289 M CA -0.684 54.493 55.300 -0.206 0.000 0.982 289 M CB 1.408 33.804 32.600 -0.340 0.000 1.651 289 M HN 0.466 nan 8.290 nan 0.000 0.437 290 N N 3.514 122.112 118.700 -0.169 0.000 2.414 290 N HA 0.158 4.898 4.740 -0.000 0.000 0.256 290 N C -0.248 175.237 175.510 -0.042 0.000 1.029 290 N CA 0.039 53.048 53.050 -0.068 0.000 0.948 290 N CB 1.378 39.843 38.487 -0.035 0.000 1.102 290 N HN 0.642 nan 8.380 nan 0.000 0.496 291 T N 0.538 115.121 114.554 0.048 0.000 3.607 291 T HA 0.304 4.654 4.350 -0.000 0.000 0.225 291 T C 0.489 175.307 174.700 0.196 0.000 0.904 291 T CA -0.541 61.668 62.100 0.182 0.000 0.962 291 T CB -0.441 68.563 68.868 0.227 0.000 1.221 291 T HN 0.698 nan 8.240 nan 0.000 0.641 292 R N -1.221 119.368 120.500 0.149 0.000 2.789 292 R HA 0.567 4.907 4.340 -0.000 0.000 0.279 292 R C -1.586 174.781 176.300 0.111 0.000 1.010 292 R CA -1.211 54.966 56.100 0.129 0.000 0.855 292 R CB 0.150 30.538 30.300 0.146 0.000 1.312 292 R HN 0.112 nan 8.270 nan 0.000 0.479 293 I N 1.211 121.851 120.570 0.118 0.000 2.696 293 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 293 I C -0.168 176.045 176.117 0.160 0.000 1.129 293 I CA 0.396 61.760 61.300 0.106 0.000 1.410 293 I CB 0.996 39.026 38.000 0.051 0.000 1.399 293 I HN 0.481 nan 8.210 nan 0.000 0.579 294 Q N 3.616 123.496 119.800 0.133 0.000 2.241 294 Q HA 0.329 4.669 4.340 -0.000 0.000 0.262 294 Q C 0.869 176.894 176.000 0.042 0.000 1.014 294 Q CA -0.877 54.946 55.803 0.034 0.000 0.885 294 Q CB 1.911 30.657 28.738 0.014 0.000 1.311 294 Q HN 0.549 nan 8.270 nan 0.000 0.461 295 V N 1.186 120.896 119.914 -0.339 0.000 2.287 295 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 295 V C 1.831 177.866 176.094 -0.097 0.000 1.053 295 V CA 2.268 64.359 62.300 -0.350 0.000 1.027 295 V CB -0.493 31.049 31.823 -0.469 0.000 0.646 295 V HN 0.849 nan 8.190 nan 0.000 0.447 296 E N 1.026 121.172 120.200 -0.090 0.000 2.463 296 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 296 E C 1.684 178.243 176.600 -0.068 0.000 1.083 296 E CA 0.479 56.829 56.400 -0.084 0.000 0.872 296 E CB -0.846 28.826 29.700 -0.046 0.000 0.966 296 E HN 0.916 nan 8.360 nan 0.000 0.491 297 H N 0.644 119.718 119.070 0.007 0.000 2.460 297 H HA 0.017 4.573 4.556 -0.000 0.000 0.297 297 H C -0.997 174.346 175.328 0.025 0.000 1.103 297 H CA 0.855 56.919 56.048 0.026 0.000 1.292 297 H CB -1.548 28.239 29.762 0.042 0.000 1.376 297 H HN 0.182 nan 8.280 nan 0.000 0.531 298 P HA -0.138 nan 4.420 nan 0.000 0.218 298 P C 2.289 179.543 177.300 -0.077 0.000 1.148 298 P CA 1.848 64.785 63.100 -0.271 0.000 0.822 298 P CB -0.264 31.264 31.700 -0.287 0.000 0.784 299 V N -3.548 116.334 119.914 -0.052 0.000 2.490 299 V HA -0.222 3.898 4.120 -0.000 0.000 0.250 299 V C 1.921 178.026 176.094 0.019 0.000 1.061 299 V CA 2.519 64.819 62.300 -0.001 0.000 1.064 299 V CB -2.304 29.519 31.823 -0.000 0.000 0.670 299 V HN 0.062 nan 8.190 nan 0.000 0.461 300 T N 0.292 114.863 114.554 0.029 0.000 2.857 300 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 300 T C 1.822 176.549 174.700 0.045 0.000 1.048 300 T CA 1.807 63.934 62.100 0.045 0.000 1.139 300 T CB -0.298 68.612 68.868 0.069 0.000 0.874 300 T HN 0.682 nan 8.240 nan 0.000 0.455 301 E N 0.880 121.109 120.200 0.050 0.000 2.110 301 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 301 E C 2.256 178.855 176.600 -0.002 0.000 0.988 301 E CA 0.961 57.384 56.400 0.038 0.000 0.804 301 E CB -0.154 29.578 29.700 0.054 0.000 0.745 301 E HN 0.398 nan 8.360 nan 0.000 0.458 302 M N 0.450 120.047 119.600 -0.006 0.000 2.117 302 M HA -0.118 4.362 4.480 -0.000 0.000 0.262 302 M C 2.620 178.893 176.300 -0.045 0.000 1.065 302 M CA 1.343 56.603 55.300 -0.067 0.000 1.114 302 M CB -0.993 31.634 32.600 0.045 0.000 1.361 302 M HN 0.221 nan 8.290 nan 0.000 0.408 303 I N -2.138 118.489 120.570 0.095 0.000 3.226 303 I HA -0.013 4.157 4.170 -0.000 0.000 0.277 303 I C 1.854 178.025 176.117 0.089 0.000 1.243 303 I CA 1.291 62.690 61.300 0.164 0.000 1.459 303 I CB -0.529 37.550 38.000 0.131 0.000 1.093 303 I HN 0.255 nan 8.210 nan 0.000 0.453 304 T N -3.444 111.136 114.554 0.043 0.000 2.969 304 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 304 T C 1.668 176.376 174.700 0.015 0.000 1.021 304 T CA 0.495 62.613 62.100 0.030 0.000 1.003 304 T CB 0.450 69.325 68.868 0.012 0.000 1.040 304 T HN 0.582 nan 8.240 nan 0.000 0.492 305 G N 1.202 109.998 108.800 -0.007 0.000 2.184 305 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 305 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 305 G C 0.073 174.971 174.900 -0.002 0.000 0.975 305 G CA 0.114 45.204 45.100 -0.016 0.000 0.642 305 G HN 0.763 nan 8.290 nan 0.000 0.536 306 V N 1.433 121.350 119.914 0.006 0.000 2.498 306 V HA 0.425 4.545 4.120 -0.000 0.000 0.279 306 V C 0.294 176.404 176.094 0.026 0.000 1.048 306 V CA -0.589 61.717 62.300 0.010 0.000 0.967 306 V CB 1.811 33.638 31.823 0.006 0.000 0.988 306 V HN 0.328 nan 8.190 nan 0.000 0.473 307 D N 4.072 124.486 120.400 0.024 0.000 2.365 307 D HA 0.218 4.858 4.640 -0.000 0.000 0.237 307 D C 0.866 177.186 176.300 0.032 0.000 1.190 307 D CA -0.059 53.963 54.000 0.036 0.000 0.867 307 D CB 1.352 42.167 40.800 0.024 0.000 1.050 307 D HN 0.446 nan 8.370 nan 0.000 0.491 308 L N 4.066 125.318 121.223 0.048 0.000 2.156 308 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 308 L C 2.123 178.978 176.870 -0.024 0.000 1.095 308 L CA 0.418 55.267 54.840 0.015 0.000 0.770 308 L CB -0.117 41.957 42.059 0.024 0.000 0.914 308 L HN 0.528 nan 8.230 nan 0.000 0.439 309 I N 0.068 120.615 120.570 -0.040 0.000 2.252 309 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 309 I C 2.399 178.517 176.117 0.002 0.000 1.102 309 I CA 1.455 62.738 61.300 -0.029 0.000 1.385 309 I CB -1.005 36.965 38.000 -0.050 0.000 1.064 309 I HN 0.299 nan 8.210 nan 0.000 0.414 310 K N 0.639 121.040 120.400 0.002 0.000 2.103 310 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 310 K C 1.947 178.546 176.600 -0.002 0.000 1.048 310 K CA 0.997 57.286 56.287 0.003 0.000 0.930 310 K CB -0.074 32.429 32.500 0.005 0.000 0.716 310 K HN 0.297 nan 8.250 nan 0.000 0.444 311 E N 1.271 121.470 120.200 -0.002 0.000 2.106 311 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 311 E C 2.089 178.679 176.600 -0.016 0.000 0.984 311 E CA 1.052 57.449 56.400 -0.006 0.000 0.806 311 E CB -0.075 29.626 29.700 0.001 0.000 0.750 311 E HN 0.374 nan 8.360 nan 0.000 0.458 312 Q N 0.302 120.089 119.800 -0.022 0.000 2.045 312 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 312 Q C 2.513 178.472 176.000 -0.068 0.000 0.991 312 Q CA 1.322 57.092 55.803 -0.055 0.000 0.851 312 Q CB -0.273 28.428 28.738 -0.061 0.000 0.911 312 Q HN 0.277 nan 8.270 nan 0.000 0.418 313 L N -0.035 121.166 121.223 -0.038 0.000 2.079 313 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 313 L C 2.519 179.370 176.870 -0.032 0.000 1.081 313 L CA 1.290 56.109 54.840 -0.034 0.000 0.752 313 L CB -0.399 41.658 42.059 -0.005 0.000 0.896 313 L HN 0.153 nan 8.230 nan 0.000 0.433 314 R N 0.111 120.597 120.500 -0.023 0.000 2.066 314 R HA -0.089 4.251 4.340 -0.000 0.000 0.232 314 R C 2.324 178.609 176.300 -0.025 0.000 1.131 314 R CA 1.311 57.400 56.100 -0.019 0.000 0.955 314 R CB -0.367 29.926 30.300 -0.012 0.000 0.851 314 R HN 0.258 nan 8.270 nan 0.000 0.432 315 I N 0.599 121.150 120.570 -0.031 0.000 2.264 315 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 315 I C 2.487 178.577 176.117 -0.045 0.000 1.111 315 I CA 1.267 62.546 61.300 -0.034 0.000 1.382 315 I CB -0.329 37.649 38.000 -0.037 0.000 1.060 315 I HN 0.239 nan 8.210 nan 0.000 0.418 316 A N 0.594 123.378 122.820 -0.061 0.000 1.933 316 A HA -0.118 4.201 4.320 -0.000 0.000 0.218 316 A C 2.362 179.923 177.584 -0.038 0.000 1.175 316 A CA 1.663 53.660 52.037 -0.066 0.000 0.628 316 A CB -0.713 18.227 19.000 -0.099 0.000 0.814 316 A HN 0.428 nan 8.150 nan 0.000 0.444 317 A N -1.712 121.091 122.820 -0.029 0.000 2.239 317 A HA 0.388 4.708 4.320 -0.000 0.000 0.209 317 A C 1.803 179.379 177.584 -0.014 0.000 1.171 317 A CA 1.237 53.264 52.037 -0.016 0.000 0.768 317 A CB -1.125 17.867 19.000 -0.013 0.000 0.790 317 A HN 1.909 nan 8.150 nan 0.000 0.478 318 G N -1.433 107.356 108.800 -0.018 0.000 2.176 318 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 318 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 318 G C 0.096 174.988 174.900 -0.013 0.000 0.979 318 G CA 0.296 45.387 45.100 -0.016 0.000 0.641 318 G HN 0.653 nan 8.290 nan 0.000 0.530 319 Q N 0.921 120.714 119.800 -0.013 0.000 2.373 319 Q HA 0.408 4.748 4.340 -0.000 0.000 0.255 319 Q C -2.100 173.895 176.000 -0.009 0.000 0.980 319 Q CA -1.461 54.336 55.803 -0.010 0.000 0.882 319 Q CB 0.954 29.686 28.738 -0.009 0.000 1.249 319 Q HN 0.265 nan 8.270 nan 0.000 0.438 320 P HA 0.045 nan 4.420 nan 0.000 0.274 320 P C -0.507 176.790 177.300 -0.004 0.000 1.256 320 P CA -0.389 62.708 63.100 -0.005 0.000 0.795 320 P CB 0.573 32.271 31.700 -0.004 0.000 1.038 321 L N 1.289 122.511 121.223 -0.002 0.000 2.500 321 L HA -0.026 4.314 4.340 -0.000 0.000 0.272 321 L C 1.513 178.378 176.870 -0.009 0.000 1.149 321 L CA 0.342 55.180 54.840 -0.003 0.000 0.897 321 L CB 0.317 42.376 42.059 -0.000 0.000 1.178 321 L HN 0.502 nan 8.230 nan 0.000 0.473 322 S N 4.245 119.939 115.700 -0.010 0.000 2.453 322 S HA 0.095 4.564 4.470 -0.000 0.000 0.231 322 S C 0.745 175.334 174.600 -0.018 0.000 1.005 322 S CA 0.270 58.463 58.200 -0.011 0.000 0.949 322 S CB 0.034 63.228 63.200 -0.009 0.000 0.774 322 S HN 0.464 nan 8.310 nan 0.000 0.510 323 I N 1.560 122.115 120.570 -0.026 0.000 2.412 323 I HA 0.414 4.584 4.170 -0.000 0.000 0.296 323 I C -0.275 175.809 176.117 -0.055 0.000 0.987 323 I CA -0.704 60.570 61.300 -0.042 0.000 1.180 323 I CB 1.730 39.699 38.000 -0.051 0.000 1.340 323 I HN -0.017 nan 8.210 nan 0.000 0.455 324 K N 3.220 123.580 120.400 -0.067 0.000 2.138 324 K HA 0.202 4.522 4.320 -0.000 0.000 0.263 324 K C 0.557 177.081 176.600 -0.127 0.000 0.965 324 K CA -0.513 55.728 56.287 -0.076 0.000 0.868 324 K CB 1.806 34.275 32.500 -0.052 0.000 1.083 324 K HN 0.345 nan 8.250 nan 0.000 0.443 325 Q N 2.355 122.070 119.800 -0.143 0.000 2.096 325 Q HA -0.276 4.064 4.340 -0.000 0.000 0.208 325 Q C 1.465 177.320 176.000 -0.240 0.000 0.993 325 Q CA 2.208 57.874 55.803 -0.228 0.000 0.862 325 Q CB 0.039 28.650 28.738 -0.213 0.000 0.915 325 Q HN 0.699 nan 8.270 nan 0.000 0.416 326 E N -0.147 119.958 120.200 -0.158 0.000 2.401 326 E HA -0.210 4.140 4.350 -0.000 0.000 0.199 326 E C 0.784 177.257 176.600 -0.212 0.000 1.023 326 E CA 1.361 57.682 56.400 -0.132 0.000 0.859 326 E CB -0.143 29.530 29.700 -0.044 0.000 0.780 326 E HN 0.688 nan 8.360 nan 0.000 0.523 327 E N 0.935 120.990 120.200 -0.241 0.000 2.447 327 E HA 0.095 4.445 4.350 -0.000 0.000 0.195 327 E C 0.197 176.477 176.600 -0.534 0.000 1.028 327 E CA -0.011 56.221 56.400 -0.280 0.000 0.876 327 E CB 0.651 30.282 29.700 -0.115 0.000 0.885 327 E HN 0.016 nan 8.360 nan 0.000 0.500 328 V N 2.712 122.317 119.914 -0.515 0.000 2.405 328 V HA 0.084 4.204 4.120 -0.000 0.000 0.264 328 V C -0.635 175.134 176.094 -0.541 0.000 1.048 328 V CA 0.053 62.099 62.300 -0.423 0.000 0.966 328 V CB -0.163 31.463 31.823 -0.328 0.000 1.015 328 V HN 0.197 nan 8.190 nan 0.000 0.477 329 H N 2.243 121.295 119.070 -0.031 0.000 2.609 329 H HA 0.540 5.096 4.556 -0.000 0.000 0.344 329 H C -0.633 174.701 175.328 0.011 0.000 1.040 329 H CA -0.815 55.229 56.048 -0.007 0.000 1.216 329 H CB 1.913 31.677 29.762 0.003 0.000 1.529 329 H HN 0.415 nan 8.280 nan 0.000 0.519 330 V N 4.611 124.613 119.914 0.148 0.000 2.406 330 V HA 0.371 4.491 4.120 -0.000 0.000 0.272 330 V C 0.003 176.168 176.094 0.118 0.000 1.043 330 V CA -0.285 62.079 62.300 0.106 0.000 0.915 330 V CB 0.477 32.347 31.823 0.078 0.000 0.988 330 V HN 0.748 nan 8.190 nan 0.000 0.466 331 R N 3.428 124.008 120.500 0.135 0.000 2.621 331 R HA 0.731 5.071 4.340 -0.000 0.000 0.284 331 R C 0.381 176.813 176.300 0.219 0.000 0.998 331 R CA -0.075 56.115 56.100 0.150 0.000 0.895 331 R CB 2.012 32.399 30.300 0.146 0.000 1.195 331 R HN 1.013 nan 8.270 nan 0.000 0.450 332 G N 1.176 110.046 108.800 0.116 0.000 2.645 332 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.239 332 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.239 332 G C -1.184 173.677 174.900 -0.064 0.000 1.331 332 G CA -0.093 44.971 45.100 -0.060 0.000 0.890 332 G HN 0.780 nan 8.290 nan 0.000 0.572 333 H N -0.718 118.116 119.070 -0.393 0.000 2.894 333 H HA 0.719 5.275 4.556 -0.000 0.000 0.367 333 H C -0.026 175.176 175.328 -0.210 0.000 1.144 333 H CA 0.475 56.401 56.048 -0.203 0.000 1.180 333 H CB 1.642 31.299 29.762 -0.174 0.000 1.758 333 H HN 1.410 nan 8.280 nan 0.000 0.541 334 A N 3.410 126.125 122.820 -0.175 0.000 2.414 334 A HA 0.702 5.022 4.320 -0.000 0.000 0.306 334 A C -1.453 176.167 177.584 0.060 0.000 1.054 334 A CA -0.575 51.485 52.037 0.040 0.000 0.724 334 A CB 1.410 20.500 19.000 0.149 0.000 1.267 334 A HN 0.434 nan 8.150 nan 0.000 0.418 335 V N 1.248 121.241 119.914 0.131 0.000 2.735 335 V HA 0.608 4.728 4.120 -0.000 0.000 0.310 335 V C -0.269 175.895 176.094 0.116 0.000 1.061 335 V CA -0.543 61.853 62.300 0.159 0.000 0.913 335 V CB 1.850 33.813 31.823 0.233 0.000 1.005 335 V HN 0.982 nan 8.190 nan 0.000 0.428 336 E N 2.411 122.668 120.200 0.096 0.000 2.234 336 E HA 0.526 4.876 4.350 -0.000 0.000 0.266 336 E C -1.748 174.882 176.600 0.050 0.000 0.877 336 E CA -0.423 56.014 56.400 0.061 0.000 0.758 336 E CB 1.829 31.539 29.700 0.017 0.000 1.170 336 E HN 0.742 nan 8.360 nan 0.000 0.415 337 C N 4.551 123.885 119.300 0.058 0.000 2.319 337 C HA 0.476 4.936 4.460 -0.000 0.000 0.323 337 C C 0.078 175.102 174.990 0.056 0.000 1.277 337 C CA -0.721 58.325 59.018 0.046 0.000 1.517 337 C CB 0.343 28.120 27.740 0.061 0.000 2.206 337 C HN 0.726 nan 8.230 nan 0.000 0.486 338 R N 2.991 123.509 120.500 0.030 0.000 2.389 338 R HA 0.444 4.784 4.340 -0.000 0.000 0.295 338 R C -0.454 175.888 176.300 0.069 0.000 1.075 338 R CA -0.106 56.011 56.100 0.029 0.000 1.005 338 R CB 0.466 30.767 30.300 0.002 0.000 0.987 338 R HN 0.546 nan 8.270 nan 0.000 0.452 339 I N 3.271 123.896 120.570 0.091 0.000 2.330 339 I HA 0.244 4.414 4.170 -0.000 0.000 0.289 339 I C -0.230 175.951 176.117 0.107 0.000 1.001 339 I CA -0.504 60.877 61.300 0.133 0.000 1.193 339 I CB 1.077 39.221 38.000 0.241 0.000 1.345 339 I HN 0.607 nan 8.210 nan 0.000 0.461 340 N N 3.558 122.319 118.700 0.102 0.000 2.269 340 N HA 0.607 5.347 4.740 -0.000 0.000 0.304 340 N C -0.322 175.241 175.510 0.088 0.000 1.072 340 N CA -0.651 52.455 53.050 0.094 0.000 0.802 340 N CB 2.294 40.841 38.487 0.100 0.000 1.348 340 N HN 0.697 nan 8.380 nan 0.000 0.484 341 A N 2.210 125.078 122.820 0.080 0.000 2.807 341 A HA 0.218 4.538 4.320 -0.000 0.000 0.307 341 A C -0.252 177.361 177.584 0.050 0.000 1.532 341 A CA 0.054 52.126 52.037 0.059 0.000 1.215 341 A CB -0.639 18.393 19.000 0.054 0.000 1.127 341 A HN 0.767 nan 8.150 nan 0.000 0.543 342 E N 1.293 121.518 120.200 0.041 0.000 2.407 342 E HA 0.236 4.586 4.350 -0.000 0.000 0.279 342 E C -1.781 174.800 176.600 -0.032 0.000 1.012 342 E CA -0.963 55.457 56.400 0.033 0.000 0.800 342 E CB 0.892 30.656 29.700 0.107 0.000 1.276 342 E HN 0.198 nan 8.360 nan 0.000 0.452 343 D N 2.670 123.028 120.400 -0.069 0.000 2.358 343 D HA 0.088 4.728 4.640 -0.000 0.000 0.258 343 D C -1.373 174.709 176.300 -0.364 0.000 1.223 343 D CA -2.022 51.887 54.000 -0.151 0.000 0.886 343 D CB 1.356 42.086 40.800 -0.117 0.000 1.120 343 D HN 0.194 nan 8.370 nan 0.000 0.482 344 P HA -0.130 nan 4.420 nan 0.000 0.221 344 P C 0.755 177.558 177.300 -0.829 0.000 1.145 344 P CA 0.978 63.715 63.100 -0.605 0.000 0.795 344 P CB 0.215 31.750 31.700 -0.275 0.000 0.775 345 N N -1.144 117.263 118.700 -0.488 0.000 2.388 345 N HA -0.019 4.721 4.740 -0.000 0.000 0.176 345 N C 1.338 176.703 175.510 -0.242 0.000 1.062 345 N CA 1.338 54.188 53.050 -0.333 0.000 0.895 345 N CB -0.826 37.566 38.487 -0.159 0.000 1.018 345 N HN 0.201 nan 8.380 nan 0.000 0.456 346 T N -3.320 111.096 114.554 -0.230 0.000 3.034 346 T HA 0.226 4.576 4.350 -0.000 0.000 0.248 346 T C 0.605 175.358 174.700 0.089 0.000 1.040 346 T CA -0.189 61.884 62.100 -0.045 0.000 1.107 346 T CB -0.453 68.399 68.868 -0.027 0.000 0.932 346 T HN 0.126 nan 8.240 nan 0.000 0.474 347 F N -0.084 119.862 119.950 -0.006 0.000 2.926 347 F HA -0.096 4.431 4.527 -0.000 0.000 0.288 347 F C -0.307 175.491 175.800 -0.003 0.000 0.756 347 F CA -0.476 57.520 58.000 -0.006 0.000 1.292 347 F CB -1.559 37.436 39.000 -0.009 0.000 1.482 347 F HN 0.235 nan 8.300 nan 0.000 0.400 348 L N 2.131 123.414 121.223 0.099 0.000 2.326 348 L HA 0.454 4.794 4.340 -0.000 0.000 0.278 348 L C -1.599 175.299 176.870 0.046 0.000 1.092 348 L CA -2.309 52.570 54.840 0.065 0.000 0.810 348 L CB 0.016 42.090 42.059 0.024 0.000 1.153 348 L HN -0.301 nan 8.230 nan 0.000 0.439 349 P HA -0.032 nan 4.420 nan 0.000 0.269 349 P C -0.538 176.767 177.300 0.008 0.000 1.205 349 P CA 0.090 63.209 63.100 0.031 0.000 0.780 349 P CB 0.499 32.211 31.700 0.020 0.000 0.858 350 S N 1.174 116.877 115.700 0.004 0.000 2.235 350 S HA 0.382 4.852 4.470 -0.000 0.000 0.152 350 S C -2.598 171.989 174.600 -0.022 0.000 1.649 350 S CA -1.527 56.666 58.200 -0.012 0.000 1.277 350 S CB -0.416 62.779 63.200 -0.008 0.000 1.299 350 S HN 0.161 nan 8.310 nan 0.000 0.388 351 P HA 0.657 nan 4.420 nan 0.000 0.272 351 P C 0.494 177.748 177.300 -0.076 0.000 1.240 351 P CA 0.341 63.399 63.100 -0.071 0.000 0.791 351 P CB 0.754 32.380 31.700 -0.124 0.000 0.978 352 G N -0.680 108.061 108.800 -0.098 0.000 2.341 352 G HA2 0.177 4.137 3.960 -0.000 0.000 0.293 352 G HA3 0.177 4.137 3.960 -0.000 0.000 0.293 352 G C -1.800 173.031 174.900 -0.116 0.000 1.298 352 G CA -0.751 44.294 45.100 -0.092 0.000 0.868 352 G HN 0.603 nan 8.290 nan 0.000 0.540 353 K N 0.350 120.697 120.400 -0.090 0.000 2.211 353 K HA 0.534 4.854 4.320 -0.000 0.000 0.275 353 K C -0.235 176.337 176.600 -0.047 0.000 1.024 353 K CA -0.621 55.611 56.287 -0.091 0.000 0.887 353 K CB 0.722 33.183 32.500 -0.066 0.000 1.084 353 K HN 0.360 nan 8.250 nan 0.000 0.463 354 I N 4.509 125.052 120.570 -0.044 0.000 2.363 354 I HA -0.047 4.123 4.170 -0.000 0.000 0.292 354 I C 1.741 177.883 176.117 0.042 0.000 1.075 354 I CA -0.017 61.289 61.300 0.010 0.000 1.333 354 I CB 1.281 39.285 38.000 0.007 0.000 1.415 354 I HN 0.758 nan 8.210 nan 0.000 0.502 355 T N 3.266 117.851 114.554 0.052 0.000 2.978 355 T HA 0.059 4.409 4.350 -0.000 0.000 0.262 355 T C 0.938 175.692 174.700 0.090 0.000 1.063 355 T CA 0.335 62.471 62.100 0.060 0.000 1.140 355 T CB 0.202 69.092 68.868 0.037 0.000 0.886 355 T HN 0.512 nan 8.240 nan 0.000 0.470 356 R N -0.403 120.167 120.500 0.116 0.000 2.522 356 R HA 0.592 4.932 4.340 -0.000 0.000 0.283 356 R C -2.372 174.062 176.300 0.223 0.000 1.074 356 R CA -0.950 55.232 56.100 0.136 0.000 0.925 356 R CB 1.658 32.004 30.300 0.076 0.000 1.205 356 R HN 0.343 nan 8.270 nan 0.000 0.436 357 F N 3.299 123.288 119.950 0.066 0.000 2.574 357 F HA 0.429 4.956 4.527 -0.000 0.000 0.313 357 F C -1.610 174.250 175.800 0.101 0.000 1.130 357 F CA -0.612 57.426 58.000 0.063 0.000 0.936 357 F CB 1.706 40.748 39.000 0.071 0.000 1.219 357 F HN 0.675 nan 8.300 nan 0.000 0.445 358 H N 4.323 122.770 119.070 -1.038 0.000 2.840 358 H HA 0.714 5.270 4.556 -0.000 0.000 0.340 358 H C -1.210 173.418 175.328 -1.168 0.000 1.004 358 H CA -0.275 55.215 56.048 -0.930 0.000 1.288 358 H CB 1.674 31.180 29.762 -0.427 0.000 1.607 358 H HN 0.884 nan 8.280 nan 0.000 0.522 359 A N 6.007 127.880 122.820 -1.578 0.000 2.316 359 A HA 0.515 4.835 4.320 -0.000 0.000 0.284 359 A C -2.348 174.713 177.584 -0.871 0.000 1.115 359 A CA -1.433 49.864 52.037 -1.233 0.000 0.812 359 A CB 0.053 18.500 19.000 -0.923 0.000 1.064 359 A HN 0.604 nan 8.150 nan 0.000 0.489 360 P HA 0.504 nan 4.420 nan 0.000 0.276 360 P C 0.121 177.300 177.300 -0.202 0.000 1.244 360 P CA 0.078 62.991 63.100 -0.312 0.000 0.801 360 P CB 1.493 33.068 31.700 -0.209 0.000 1.006 361 G N -1.574 107.174 108.800 -0.087 0.000 2.921 361 G HA2 0.730 4.690 3.960 -0.000 0.000 0.291 361 G HA3 0.730 4.690 3.960 -0.000 0.000 0.291 361 G C -0.611 174.312 174.900 0.038 0.000 1.370 361 G CA -0.518 44.571 45.100 -0.018 0.000 0.847 361 G HN 0.812 nan 8.290 nan 0.000 0.532 362 G N -1.927 106.918 108.800 0.075 0.000 2.479 362 G HA2 0.390 4.350 3.960 -0.000 0.000 0.686 362 G HA3 0.390 4.350 3.960 -0.000 0.000 0.686 362 G C -0.869 174.155 174.900 0.208 0.000 1.295 362 G CA -0.411 44.762 45.100 0.123 0.000 0.922 362 G HN 1.442 nan 8.290 nan 0.000 0.582 363 F N 2.199 122.179 119.950 0.049 0.000 2.541 363 F HA 0.473 5.000 4.527 -0.000 0.000 0.378 363 F C 1.572 177.428 175.800 0.093 0.000 1.068 363 F CA 0.679 58.718 58.000 0.064 0.000 1.199 363 F CB 0.494 39.531 39.000 0.061 0.000 1.091 363 F HN 2.169 nan 8.300 nan 0.000 0.555 364 G N 3.861 112.697 108.800 0.059 0.000 2.143 364 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.249 364 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.249 364 G C -0.543 174.404 174.900 0.080 0.000 0.981 364 G CA 0.096 45.181 45.100 -0.026 0.000 0.665 364 G HN 0.750 nan 8.290 nan 0.000 0.528 365 V N 0.993 120.972 119.914 0.108 0.000 2.370 365 V HA 0.663 4.783 4.120 -0.000 0.000 0.283 365 V C 0.558 176.734 176.094 0.137 0.000 1.023 365 V CA -0.551 61.819 62.300 0.117 0.000 0.857 365 V CB 1.548 33.431 31.823 0.100 0.000 0.985 365 V HN 0.474 nan 8.190 nan 0.000 0.443 366 R N 5.239 125.832 120.500 0.154 0.000 2.480 366 R HA 0.368 4.708 4.340 -0.000 0.000 0.306 366 R C -1.456 174.996 176.300 0.254 0.000 0.958 366 R CA -0.596 55.602 56.100 0.162 0.000 0.861 366 R CB 1.427 31.784 30.300 0.095 0.000 1.171 366 R HN 0.823 nan 8.270 nan 0.000 0.445 367 W N 6.290 127.613 121.300 0.038 0.000 2.471 367 W HA 0.353 5.013 4.660 -0.000 0.000 0.318 367 W C -1.359 175.191 176.519 0.050 0.000 1.034 367 W CA -0.615 56.760 57.345 0.049 0.000 1.224 367 W CB 1.817 31.312 29.460 0.059 0.000 1.335 367 W HN 0.542 nan 8.180 nan 0.000 0.452 368 E N 4.707 124.570 120.200 -0.561 0.000 2.149 368 E HA 0.311 4.661 4.350 -0.000 0.000 0.255 368 E C -1.085 175.019 176.600 -0.828 0.000 0.888 368 E CA -0.201 55.887 56.400 -0.521 0.000 0.742 368 E CB 1.932 31.464 29.700 -0.280 0.000 1.164 368 E HN 0.329 nan 8.360 nan 0.000 0.422 369 S N 1.472 116.742 115.700 -0.717 0.000 2.558 369 S HA 0.181 4.651 4.470 -0.000 0.000 0.277 369 S C 0.065 174.568 174.600 -0.162 0.000 1.143 369 S CA -0.639 57.261 58.200 -0.500 0.000 0.865 369 S CB 0.564 63.272 63.200 -0.821 0.000 1.102 369 S HN 0.611 nan 8.310 nan 0.000 0.454 370 H N 3.165 122.098 119.070 -0.229 0.000 2.553 370 H HA 0.310 4.866 4.556 -0.000 0.000 0.265 370 H C 1.034 176.210 175.328 -0.254 0.000 0.964 370 H CA 0.119 56.059 56.048 -0.179 0.000 1.156 370 H CB -0.746 28.903 29.762 -0.189 0.000 1.411 370 H HN 0.666 nan 8.280 nan 0.000 0.558 371 I N -0.072 119.975 120.570 -0.871 0.000 2.836 371 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 371 I C -0.649 175.148 176.117 -0.533 0.000 1.174 371 I CA -0.820 59.961 61.300 -0.865 0.000 1.405 371 I CB 0.541 38.085 38.000 -0.760 0.000 1.385 371 I HN 0.038 nan 8.210 nan 0.000 0.594 372 Y N 2.723 122.753 120.300 -0.449 0.000 2.638 372 Y HA 0.752 5.302 4.550 -0.000 0.000 0.335 372 Y C -0.494 175.398 175.900 -0.012 0.000 1.155 372 Y CA -1.556 56.425 58.100 -0.198 0.000 1.046 372 Y CB 0.514 38.955 38.460 -0.031 0.000 1.303 372 Y HN 0.825 nan 8.280 nan 0.000 0.460 373 A N 1.205 124.230 122.820 0.342 0.000 2.524 373 A HA 0.457 4.777 4.320 -0.000 0.000 0.250 373 A C 1.349 179.080 177.584 0.244 0.000 1.078 373 A CA 0.845 53.046 52.037 0.274 0.000 0.761 373 A CB -1.293 17.882 19.000 0.292 0.000 1.012 373 A HN 2.270 nan 8.150 nan 0.000 0.500 374 G N 0.688 109.562 108.800 0.123 0.000 2.175 374 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.244 374 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.244 374 G C 0.036 174.948 174.900 0.019 0.000 0.982 374 G CA 0.444 45.605 45.100 0.101 0.000 0.641 374 G HN 1.584 nan 8.290 nan 0.000 0.527 375 Y N 1.871 121.976 120.300 -0.324 0.000 2.299 375 Y HA 0.628 5.178 4.550 -0.000 0.000 0.326 375 Y C 0.291 176.031 175.900 -0.267 0.000 1.164 375 Y CA 0.242 58.012 58.100 -0.550 0.000 1.234 375 Y CB 1.471 39.220 38.460 -1.185 0.000 1.219 375 Y HN 0.048 nan 8.280 nan 0.000 0.497 376 T N 6.148 120.094 114.554 -1.013 0.000 2.779 376 T HA 0.344 4.694 4.350 -0.000 0.000 0.280 376 T C -1.011 173.099 174.700 -0.982 0.000 0.987 376 T CA -0.606 61.061 62.100 -0.722 0.000 0.966 376 T CB 0.686 69.326 68.868 -0.380 0.000 0.933 376 T HN 0.480 nan 8.240 nan 0.000 0.442 377 V N 7.804 127.425 119.914 -0.488 0.000 2.405 377 V HA 0.205 4.325 4.120 -0.000 0.000 0.264 377 V C -1.883 174.117 176.094 -0.156 0.000 1.048 377 V CA -1.634 60.551 62.300 -0.191 0.000 0.966 377 V CB 0.111 31.917 31.823 -0.028 0.000 1.015 377 V HN 0.700 nan 8.190 nan 0.000 0.477 378 P HA 0.188 nan 4.420 nan 0.000 0.271 378 P C -2.073 175.043 177.300 -0.307 0.000 1.233 378 P CA -1.278 61.700 63.100 -0.202 0.000 0.789 378 P CB 0.194 31.923 31.700 0.049 0.000 0.951 379 P HA 0.068 nan 4.420 nan 0.000 0.259 379 P C 0.792 177.857 177.300 -0.392 0.000 1.233 379 P CA 0.766 63.586 63.100 -0.467 0.000 0.827 379 P CB 0.109 31.522 31.700 -0.477 0.000 1.154 380 Y N -0.992 119.141 120.300 -0.278 0.000 2.352 380 Y HA -0.082 4.468 4.550 -0.000 0.000 0.292 380 Y C 1.259 176.875 175.900 -0.474 0.000 1.136 380 Y CA 0.274 58.075 58.100 -0.499 0.000 1.227 380 Y CB -0.608 37.259 38.460 -0.988 0.000 0.991 380 Y HN -0.059 nan 8.280 nan 0.000 0.545 381 Y N -0.370 120.064 120.300 0.224 0.000 2.780 381 Y HA 0.164 4.714 4.550 -0.000 0.000 0.340 381 Y C 0.564 176.529 175.900 0.109 0.000 1.216 381 Y CA -1.819 56.397 58.100 0.193 0.000 1.245 381 Y CB -0.041 38.556 38.460 0.227 0.000 1.492 381 Y HN -0.161 nan 8.280 nan 0.000 0.660 382 D N -0.278 120.276 120.400 0.257 0.000 2.358 382 D HA -0.025 4.615 4.640 -0.000 0.000 0.244 382 D C 0.755 177.133 176.300 0.130 0.000 1.163 382 D CA 0.334 54.413 54.000 0.132 0.000 0.945 382 D CB 1.586 42.423 40.800 0.062 0.000 1.152 382 D HN 0.590 nan 8.370 nan 0.000 0.451 383 S N 1.466 117.222 115.700 0.095 0.000 2.603 383 S HA -0.025 4.445 4.470 -0.000 0.000 0.220 383 S C 1.127 175.786 174.600 0.099 0.000 0.967 383 S CA -0.482 57.774 58.200 0.094 0.000 0.920 383 S CB -0.394 62.853 63.200 0.079 0.000 0.773 383 S HN 0.587 nan 8.310 nan 0.000 0.529 384 M N 2.697 122.353 119.600 0.093 0.000 2.146 384 M HA 0.360 4.840 4.480 -0.000 0.000 0.352 384 M C 0.578 176.954 176.300 0.128 0.000 1.343 384 M CA -0.273 55.080 55.300 0.087 0.000 1.115 384 M CB 0.597 33.231 32.600 0.056 0.000 1.657 384 M HN 0.438 nan 8.290 nan 0.000 0.471 385 I N 1.536 122.175 120.570 0.114 0.000 4.035 385 I HA 0.604 4.774 4.170 -0.000 0.000 0.321 385 I C 0.554 176.675 176.117 0.008 0.000 1.289 385 I CA -0.211 61.159 61.300 0.117 0.000 1.236 385 I CB 0.369 38.399 38.000 0.049 0.000 1.076 385 I HN 0.674 nan 8.210 nan 0.000 0.418 386 G N 1.148 109.927 108.800 -0.036 0.000 2.523 386 G HA2 0.527 4.487 3.960 -0.000 0.000 0.291 386 G HA3 0.527 4.487 3.960 -0.000 0.000 0.291 386 G C -1.948 172.813 174.900 -0.231 0.000 1.450 386 G CA -0.874 44.048 45.100 -0.297 0.000 0.790 386 G HN 0.066 nan 8.290 nan 0.000 0.496 387 K N -0.129 120.018 120.400 -0.421 0.000 2.507 387 K HA 0.552 4.872 4.320 -0.000 0.000 0.251 387 K C -1.562 175.001 176.600 -0.061 0.000 0.943 387 K CA -0.802 55.391 56.287 -0.157 0.000 0.794 387 K CB 2.866 35.283 32.500 -0.139 0.000 1.188 387 K HN 0.341 nan 8.250 nan 0.000 0.428 388 L N 4.383 125.709 121.223 0.171 0.000 2.287 388 L HA 0.542 4.882 4.340 -0.000 0.000 0.287 388 L C -1.487 175.486 176.870 0.172 0.000 1.022 388 L CA -0.477 54.557 54.840 0.323 0.000 0.814 388 L CB 0.883 43.194 42.059 0.419 0.000 1.217 388 L HN 0.550 nan 8.230 nan 0.000 0.420 389 I N 5.036 125.699 120.570 0.155 0.000 2.418 389 I HA 0.428 4.598 4.170 -0.000 0.000 0.287 389 I C -0.740 175.452 176.117 0.126 0.000 1.008 389 I CA -0.043 61.323 61.300 0.109 0.000 1.104 389 I CB 1.653 39.690 38.000 0.061 0.000 1.264 389 I HN 0.524 nan 8.210 nan 0.000 0.438 390 C N 5.231 124.606 119.300 0.125 0.000 2.456 390 C HA 0.582 5.042 4.460 -0.000 0.000 0.325 390 C C -0.564 174.512 174.990 0.142 0.000 1.217 390 C CA -0.801 58.290 59.018 0.122 0.000 1.687 390 C CB 1.045 28.842 27.740 0.094 0.000 2.270 390 C HN 0.686 nan 8.230 nan 0.000 0.499 391 Y N 1.178 121.469 120.300 -0.015 0.000 2.485 391 Y HA 0.780 5.330 4.550 -0.000 0.000 0.345 391 Y C 0.124 175.973 175.900 -0.086 0.000 0.998 391 Y CA 0.062 58.141 58.100 -0.035 0.000 1.059 391 Y CB 1.675 40.100 38.460 -0.059 0.000 1.234 391 Y HN 0.836 nan 8.280 nan 0.000 0.461 392 G N 2.857 111.160 108.800 -0.829 0.000 2.708 392 G HA2 0.318 4.278 3.960 -0.000 0.000 0.289 392 G HA3 0.318 4.278 3.960 -0.000 0.000 0.289 392 G C -0.862 173.607 174.900 -0.719 0.000 1.416 392 G CA -0.856 43.903 45.100 -0.569 0.000 0.829 392 G HN 0.609 nan 8.290 nan 0.000 0.480 393 E N -0.585 119.419 120.200 -0.326 0.000 2.347 393 E HA 0.076 4.426 4.350 -0.000 0.000 0.196 393 E C 0.669 177.176 176.600 -0.155 0.000 1.008 393 E CA 1.103 57.389 56.400 -0.189 0.000 0.852 393 E CB -0.016 29.648 29.700 -0.061 0.000 0.783 393 E HN 0.550 nan 8.360 nan 0.000 0.505 394 N N -1.685 116.912 118.700 -0.171 0.000 2.825 394 N HA 0.160 4.900 4.740 -0.000 0.000 0.253 394 N C -0.046 175.355 175.510 -0.182 0.000 1.426 394 N CA -0.928 52.041 53.050 -0.135 0.000 0.851 394 N CB 0.824 39.243 38.487 -0.113 0.000 1.470 394 N HN -0.162 nan 8.380 nan 0.000 0.517 395 R N -0.493 119.818 120.500 -0.315 0.000 2.103 395 R HA -0.148 4.192 4.340 -0.000 0.000 0.242 395 R C 0.154 176.293 176.300 -0.268 0.000 1.142 395 R CA 2.029 57.819 56.100 -0.516 0.000 0.960 395 R CB -0.371 29.384 30.300 -0.908 0.000 0.858 395 R HN 0.636 nan 8.270 nan 0.000 0.439 396 D N -0.349 119.932 120.400 -0.199 0.000 2.144 396 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 396 D C 1.936 178.187 176.300 -0.082 0.000 0.978 396 D CA 1.157 55.085 54.000 -0.120 0.000 0.833 396 D CB -0.099 40.643 40.800 -0.098 0.000 0.961 396 D HN 0.112 nan 8.370 nan 0.000 0.470 397 V N 1.632 121.489 119.914 -0.095 0.000 2.295 397 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 397 V C 2.605 178.659 176.094 -0.067 0.000 1.049 397 V CA 1.793 64.046 62.300 -0.078 0.000 1.024 397 V CB -0.868 30.894 31.823 -0.101 0.000 0.648 397 V HN 0.166 nan 8.190 nan 0.000 0.447 398 A N 0.059 122.828 122.820 -0.085 0.000 1.892 398 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 398 A C 2.191 179.794 177.584 0.031 0.000 1.188 398 A CA 2.271 54.289 52.037 -0.030 0.000 0.631 398 A CB -0.625 18.385 19.000 0.016 0.000 0.822 398 A HN 0.519 nan 8.150 nan 0.000 0.447 399 I N -0.464 120.122 120.570 0.027 0.000 2.179 399 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 399 I C 2.994 179.150 176.117 0.065 0.000 1.088 399 I CA 1.080 62.429 61.300 0.082 0.000 1.357 399 I CB -0.462 37.586 38.000 0.080 0.000 1.051 399 I HN 0.375 nan 8.210 nan 0.000 0.409 400 A N 0.851 123.688 122.820 0.029 0.000 1.933 400 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 400 A C 2.389 179.993 177.584 0.033 0.000 1.175 400 A CA 1.550 53.604 52.037 0.028 0.000 0.628 400 A CB -0.569 18.439 19.000 0.012 0.000 0.814 400 A HN 0.323 nan 8.150 nan 0.000 0.444 401 R N -1.915 118.602 120.500 0.028 0.000 2.092 401 R HA -0.094 4.246 4.340 -0.000 0.000 0.231 401 R C 2.194 178.524 176.300 0.050 0.000 1.119 401 R CA 1.567 57.688 56.100 0.035 0.000 0.970 401 R CB -0.349 29.966 30.300 0.025 0.000 0.864 401 R HN 0.557 nan 8.270 nan 0.000 0.440 402 M N 1.451 121.089 119.600 0.064 0.000 2.080 402 M HA -0.178 4.302 4.480 -0.000 0.000 0.260 402 M C 1.557 177.893 176.300 0.060 0.000 1.068 402 M CA 1.837 57.182 55.300 0.075 0.000 1.109 402 M CB -0.033 32.628 32.600 0.102 0.000 1.342 402 M HN -0.117 nan 8.290 nan 0.000 0.405 403 K N -0.140 120.295 120.400 0.058 0.000 2.009 403 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 403 K C 1.809 178.428 176.600 0.032 0.000 1.049 403 K CA 2.187 58.501 56.287 0.045 0.000 0.929 403 K CB -0.584 31.944 32.500 0.045 0.000 0.714 403 K HN 0.588 nan 8.250 nan 0.000 0.440 404 N N 0.498 119.217 118.700 0.031 0.000 2.069 404 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 404 N C 1.944 177.462 175.510 0.013 0.000 1.031 404 N CA 0.918 53.981 53.050 0.022 0.000 0.852 404 N CB -0.208 38.295 38.487 0.026 0.000 1.018 404 N HN 0.208 nan 8.380 nan 0.000 0.423 405 A N 1.554 124.386 122.820 0.020 0.000 1.877 405 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 405 A C 2.196 179.771 177.584 -0.014 0.000 1.186 405 A CA 1.107 53.146 52.037 0.004 0.000 0.620 405 A CB -0.826 18.191 19.000 0.029 0.000 0.822 405 A HN 0.174 nan 8.150 nan 0.000 0.443 406 L N -1.001 120.229 121.223 0.011 0.000 2.079 406 L HA -0.280 4.060 4.340 -0.000 0.000 0.210 406 L C 2.781 179.646 176.870 -0.009 0.000 1.081 406 L CA 1.697 56.542 54.840 0.008 0.000 0.752 406 L CB -0.516 41.558 42.059 0.025 0.000 0.896 406 L HN 0.461 nan 8.230 nan 0.000 0.433 407 Q N -0.504 119.292 119.800 -0.006 0.000 2.297 407 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 407 Q C 1.948 177.932 176.000 -0.025 0.000 0.962 407 Q CA 1.003 56.799 55.803 -0.011 0.000 0.879 407 Q CB 0.066 28.802 28.738 -0.003 0.000 0.947 407 Q HN 0.494 nan 8.270 nan 0.000 0.462 408 E N -0.061 120.116 120.200 -0.037 0.000 2.299 408 E HA -0.041 4.309 4.350 -0.000 0.000 0.193 408 E C -0.164 176.384 176.600 -0.087 0.000 0.998 408 E CA -0.199 56.175 56.400 -0.044 0.000 0.851 408 E CB 0.268 29.940 29.700 -0.047 0.000 0.795 408 E HN 0.120 nan 8.360 nan 0.000 0.492 409 L N 1.701 122.846 121.223 -0.130 0.000 2.410 409 L HA 0.175 4.515 4.340 -0.000 0.000 0.273 409 L C -0.628 176.175 176.870 -0.112 0.000 1.152 409 L CA 0.606 55.324 54.840 -0.203 0.000 0.855 409 L CB 0.438 42.385 42.059 -0.187 0.000 1.129 409 L HN -0.094 nan 8.230 nan 0.000 0.463 410 I N 6.656 127.142 120.570 -0.140 0.000 2.466 410 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 410 I C -0.779 175.383 176.117 0.075 0.000 1.026 410 I CA -0.339 60.937 61.300 -0.039 0.000 1.078 410 I CB 1.591 39.567 38.000 -0.039 0.000 1.249 410 I HN 0.487 nan 8.210 nan 0.000 0.429 411 I N 5.248 125.892 120.570 0.122 0.000 2.540 411 I HA 0.283 4.453 4.170 -0.000 0.000 0.280 411 I C -1.401 174.786 176.117 0.116 0.000 1.083 411 I CA -0.519 60.903 61.300 0.204 0.000 1.080 411 I CB 1.458 39.585 38.000 0.211 0.000 1.205 411 I HN 0.406 nan 8.210 nan 0.000 0.459 412 D N 3.642 124.106 120.400 0.107 0.000 2.228 412 D HA 0.702 5.341 4.640 -0.000 0.000 0.247 412 D C 0.952 177.284 176.300 0.052 0.000 0.995 412 D CA 0.253 54.291 54.000 0.063 0.000 0.903 412 D CB 2.344 43.173 40.800 0.048 0.000 1.205 412 D HN 0.773 nan 8.370 nan 0.000 0.459 413 G N 0.114 108.931 108.800 0.029 0.000 2.391 413 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.204 413 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.204 413 G C 0.261 175.162 174.900 0.002 0.000 1.012 413 G CA 0.248 45.356 45.100 0.014 0.000 0.651 413 G HN 0.603 nan 8.290 nan 0.000 0.494 414 I N -2.345 118.230 120.570 0.009 0.000 3.264 414 I HA 0.829 4.999 4.170 -0.000 0.000 0.315 414 I C -0.756 175.365 176.117 0.006 0.000 1.154 414 I CA -1.535 59.766 61.300 0.001 0.000 0.962 414 I CB 1.853 39.853 38.000 0.001 0.000 1.265 414 I HN -0.074 nan 8.210 nan 0.000 0.463 415 K N 1.270 121.668 120.400 -0.003 0.000 2.110 415 K HA 0.646 4.966 4.320 -0.000 0.000 0.263 415 K C -0.447 176.157 176.600 0.006 0.000 0.975 415 K CA -0.423 55.859 56.287 -0.008 0.000 0.895 415 K CB 1.937 34.418 32.500 -0.031 0.000 1.060 415 K HN 0.863 nan 8.250 nan 0.000 0.448 416 T N -2.023 112.536 114.554 0.009 0.000 2.804 416 T HA 0.238 4.588 4.350 -0.000 0.000 0.290 416 T C 0.200 174.910 174.700 0.016 0.000 1.099 416 T CA -0.974 61.146 62.100 0.033 0.000 1.011 416 T CB 0.938 69.843 68.868 0.062 0.000 1.291 416 T HN 0.604 nan 8.240 nan 0.000 0.523 417 N N 0.248 118.975 118.700 0.045 0.000 2.251 417 N HA 0.060 4.800 4.740 -0.000 0.000 0.217 417 N C 1.306 176.844 175.510 0.047 0.000 1.124 417 N CA -0.244 52.832 53.050 0.044 0.000 0.843 417 N CB -0.411 38.138 38.487 0.104 0.000 1.024 417 N HN 0.367 nan 8.380 nan 0.000 0.501 418 V N 1.097 121.039 119.914 0.047 0.000 2.324 418 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 418 V C 1.809 177.919 176.094 0.026 0.000 1.060 418 V CA 2.073 64.401 62.300 0.046 0.000 1.042 418 V CB -0.349 31.503 31.823 0.048 0.000 0.650 418 V HN 0.347 nan 8.190 nan 0.000 0.450 419 D N -0.523 119.883 120.400 0.011 0.000 2.144 419 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 419 D C 2.006 178.308 176.300 0.004 0.000 0.978 419 D CA 1.047 55.048 54.000 0.002 0.000 0.833 419 D CB -0.030 40.764 40.800 -0.011 0.000 0.961 419 D HN 0.368 nan 8.370 nan 0.000 0.470 420 L N 1.388 122.617 121.223 0.010 0.000 2.027 420 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 420 L C 2.152 179.030 176.870 0.012 0.000 1.074 420 L CA 1.623 56.478 54.840 0.025 0.000 0.745 420 L CB -0.644 41.453 42.059 0.064 0.000 0.898 420 L HN -0.141 nan 8.230 nan 0.000 0.433 421 Q N -0.141 119.667 119.800 0.013 0.000 2.077 421 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 421 Q C 2.402 178.388 176.000 -0.023 0.000 0.989 421 Q CA 2.304 58.101 55.803 -0.011 0.000 0.853 421 Q CB -0.451 28.297 28.738 0.017 0.000 0.907 421 Q HN 0.608 nan 8.270 nan 0.000 0.418 422 I N 0.205 120.775 120.570 -0.000 0.000 2.286 422 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 422 I C 2.475 178.592 176.117 0.001 0.000 1.115 422 I CA 0.937 62.239 61.300 0.003 0.000 1.392 422 I CB -0.148 37.858 38.000 0.010 0.000 1.065 422 I HN 0.145 nan 8.210 nan 0.000 0.418 423 R N 0.487 120.987 120.500 0.000 0.000 2.115 423 R HA -0.078 4.262 4.340 -0.000 0.000 0.230 423 R C 2.272 178.571 176.300 -0.000 0.000 1.111 423 R CA 1.208 57.313 56.100 0.009 0.000 0.976 423 R CB -0.189 30.120 30.300 0.014 0.000 0.870 423 R HN 0.361 nan 8.270 nan 0.000 0.445 424 I N 0.358 120.898 120.570 -0.049 0.000 2.315 424 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 424 I C 2.107 178.121 176.117 -0.171 0.000 1.117 424 I CA 0.952 62.171 61.300 -0.135 0.000 1.404 424 I CB -0.191 37.645 38.000 -0.273 0.000 1.071 424 I HN 0.154 nan 8.210 nan 0.000 0.419 425 M N 0.182 119.713 119.600 -0.115 0.000 2.279 425 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 425 M C 1.528 177.913 176.300 0.143 0.000 1.062 425 M CA 1.461 56.780 55.300 0.031 0.000 1.099 425 M CB -1.283 31.353 32.600 0.061 0.000 1.394 425 M HN 0.276 nan 8.290 nan 0.000 0.426 426 N N 0.601 119.349 118.700 0.081 0.000 2.398 426 N HA -0.034 4.706 4.740 -0.000 0.000 0.188 426 N C 0.165 175.732 175.510 0.095 0.000 1.122 426 N CA 0.193 53.294 53.050 0.083 0.000 0.866 426 N CB 0.115 38.633 38.487 0.052 0.000 0.970 426 N HN 0.376 nan 8.380 nan 0.000 0.462 427 D N 1.271 121.746 120.400 0.126 0.000 2.348 427 D HA -0.006 4.634 4.640 -0.000 0.000 0.253 427 D C 0.789 177.148 176.300 0.099 0.000 1.161 427 D CA 0.121 54.201 54.000 0.133 0.000 0.876 427 D CB 1.384 42.303 40.800 0.199 0.000 1.160 427 D HN 0.110 nan 8.370 nan 0.000 0.459 428 E N 2.742 122.942 120.200 0.000 0.000 2.058 428 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 428 E C 1.445 177.812 176.600 -0.387 0.000 0.997 428 E CA 1.276 57.569 56.400 -0.179 0.000 0.801 428 E CB 0.172 29.734 29.700 -0.230 0.000 0.746 428 E HN 0.581 nan 8.360 nan 0.000 0.450 429 N N -0.343 118.213 118.700 -0.240 0.000 2.120 429 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 429 N C 1.690 177.086 175.510 -0.190 0.000 1.024 429 N CA 1.076 53.963 53.050 -0.272 0.000 0.852 429 N CB -0.218 38.089 38.487 -0.301 0.000 1.003 429 N HN 0.115 nan 8.380 nan 0.000 0.424 430 F N 1.896 121.713 119.950 -0.222 0.000 2.102 430 F HA -0.175 4.352 4.527 -0.000 0.000 0.298 430 F C 2.335 178.103 175.800 -0.053 0.000 1.105 430 F CA 1.322 59.240 58.000 -0.137 0.000 1.239 430 F CB -0.052 38.912 39.000 -0.060 0.000 0.991 430 F HN 0.027 nan 8.300 nan 0.000 0.474 431 Q N -0.925 118.832 119.800 -0.071 0.000 2.226 431 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 431 Q C 1.816 177.811 176.000 -0.009 0.000 0.975 431 Q CA 1.695 57.450 55.803 -0.080 0.000 0.866 431 Q CB -0.323 28.468 28.738 0.088 0.000 0.915 431 Q HN 0.682 nan 8.270 nan 0.000 0.440 432 H N -1.112 117.849 119.070 -0.182 0.000 2.465 432 H HA 0.159 4.715 4.556 -0.000 0.000 0.289 432 H C 0.759 175.971 175.328 -0.195 0.000 1.022 432 H CA -0.098 55.858 56.048 -0.153 0.000 1.340 432 H CB 0.585 30.288 29.762 -0.097 0.000 1.437 432 H HN 0.299 nan 8.280 nan 0.000 0.539 433 G N -1.043 107.680 108.800 -0.128 0.000 2.690 433 G HA2 0.043 4.003 3.960 -0.000 0.000 0.686 433 G HA3 0.043 4.003 3.960 -0.000 0.000 0.686 433 G C 0.602 175.450 174.900 -0.086 0.000 1.277 433 G CA -0.375 44.618 45.100 -0.178 0.000 0.799 433 G HN 0.759 nan 8.290 nan 0.000 0.613 434 G N -1.243 107.523 108.800 -0.057 0.000 2.157 434 G HA2 0.176 4.136 3.960 -0.000 0.000 0.239 434 G HA3 0.176 4.136 3.960 -0.000 0.000 0.239 434 G C 1.049 175.940 174.900 -0.015 0.000 0.982 434 G CA 1.274 46.369 45.100 -0.008 0.000 0.650 434 G HN 2.846 nan 8.290 nan 0.000 0.527 435 T N 0.116 114.632 114.554 -0.063 0.000 2.926 435 T HA 0.467 4.817 4.350 -0.000 0.000 0.307 435 T C 0.670 175.381 174.700 0.019 0.000 1.059 435 T CA 0.388 62.428 62.100 -0.099 0.000 1.122 435 T CB 1.370 70.049 68.868 -0.315 0.000 0.972 435 T HN 0.992 nan 8.240 nan 0.000 0.545 436 N N 1.853 120.588 118.700 0.058 0.000 2.448 436 N HA 0.251 4.991 4.740 -0.000 0.000 0.274 436 N C 1.392 176.916 175.510 0.023 0.000 1.239 436 N CA -0.956 52.120 53.050 0.043 0.000 0.982 436 N CB 0.142 38.641 38.487 0.021 0.000 1.199 436 N HN 0.806 nan 8.380 nan 0.000 0.576 437 I N -3.787 116.709 120.570 -0.124 0.000 2.657 437 I HA -0.157 4.012 4.170 -0.000 0.000 0.261 437 I C 0.609 176.629 176.117 -0.161 0.000 1.212 437 I CA 1.306 62.502 61.300 -0.174 0.000 1.453 437 I CB -0.454 37.420 38.000 -0.210 0.000 1.092 437 I HN 0.402 nan 8.210 nan 0.000 0.452 438 H N -0.810 118.322 119.070 0.103 0.000 2.592 438 H HA 0.042 4.598 4.556 -0.000 0.000 0.265 438 H C 1.678 177.052 175.328 0.077 0.000 0.955 438 H CA 0.559 56.647 56.048 0.067 0.000 1.175 438 H CB -0.372 29.425 29.762 0.059 0.000 1.433 438 H HN 0.442 nan 8.280 nan 0.000 0.537 439 Y N 1.613 121.978 120.300 0.107 0.000 2.151 439 Y HA -0.260 4.290 4.550 -0.000 0.000 0.284 439 Y C 2.392 178.320 175.900 0.046 0.000 1.166 439 Y CA 1.275 59.421 58.100 0.076 0.000 1.163 439 Y CB -0.313 38.188 38.460 0.068 0.000 0.974 439 Y HN 0.117 nan 8.280 nan 0.000 0.511 440 L N 0.525 121.822 121.223 0.123 0.000 1.994 440 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 440 L C 2.178 178.997 176.870 -0.085 0.000 1.071 440 L CA 2.178 57.029 54.840 0.018 0.000 0.745 440 L CB -0.850 41.242 42.059 0.055 0.000 0.892 440 L HN 0.248 nan 8.230 nan 0.000 0.431 441 E N -0.752 119.411 120.200 -0.062 0.000 2.118 441 E HA -0.245 4.105 4.350 -0.000 0.000 0.195 441 E C 2.099 178.644 176.600 -0.092 0.000 0.992 441 E CA 1.070 57.422 56.400 -0.079 0.000 0.804 441 E CB -0.111 29.550 29.700 -0.066 0.000 0.741 441 E HN 0.235 nan 8.360 nan 0.000 0.458 442 K N 1.471 121.803 120.400 -0.113 0.000 2.001 442 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 442 K C 1.960 178.432 176.600 -0.214 0.000 1.048 442 K CA 1.302 57.502 56.287 -0.146 0.000 0.932 442 K CB -0.168 32.255 32.500 -0.129 0.000 0.715 442 K HN -0.057 nan 8.250 nan 0.000 0.437 443 K N 0.703 120.878 120.400 -0.375 0.000 2.160 443 K HA -0.117 4.203 4.320 -0.000 0.000 0.206 443 K C 2.115 178.632 176.600 -0.139 0.000 1.047 443 K CA 1.203 57.293 56.287 -0.327 0.000 0.930 443 K CB -0.038 32.219 32.500 -0.405 0.000 0.720 443 K HN 0.198 nan 8.250 nan 0.000 0.450 444 L N -0.958 120.209 121.223 -0.093 0.000 2.341 444 L HA 0.068 4.408 4.340 -0.000 0.000 0.214 444 L C 1.032 177.893 176.870 -0.016 0.000 1.115 444 L CA 0.579 55.408 54.840 -0.019 0.000 0.820 444 L CB -0.085 41.993 42.059 0.032 0.000 0.944 444 L HN 0.417 nan 8.230 nan 0.000 0.452 445 G N 0.859 109.633 108.800 -0.044 0.000 2.303 445 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 445 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 445 G C 0.068 174.957 174.900 -0.019 0.000 1.106 445 G CA -0.267 44.814 45.100 -0.032 0.000 0.900 445 G HN 0.127 nan 8.290 nan 0.000 0.495 446 L N 0.017 121.220 121.223 -0.033 0.000 2.693 446 L HA 0.231 4.571 4.340 -0.000 0.000 0.235 446 L C 2.554 179.399 176.870 -0.043 0.000 1.127 446 L CA 1.452 56.270 54.840 -0.036 0.000 0.914 446 L CB 0.136 42.156 42.059 -0.064 0.000 1.193 446 L HN 0.689 nan 8.230 nan 0.000 0.502 447 Q N 0.393 120.168 119.800 -0.042 0.000 2.167 447 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 447 Q C 0.753 176.735 176.000 -0.030 0.000 0.970 447 Q CA 0.770 56.548 55.803 -0.042 0.000 0.855 447 Q CB -0.352 28.357 28.738 -0.049 0.000 0.911 447 Q HN 0.662 nan 8.270 nan 0.000 0.438 448 E N 0.000 120.187 120.200 -0.022 0.000 2.725 448 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 448 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 448 E CB 0.000 29.694 29.700 -0.010 0.000 0.812 448 E HN 0.000 nan 8.360 nan 0.000 0.440