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 1eib_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKVLLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLAPLKE PLLEKNKPYK QNSGKVVGSY FVEWGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKVSIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDIA WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSVET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA GQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGVQ 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.582 177.584 -0.004 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 1.341 124.157 122.820 -0.006 0.000 2.409 25 A HA 0.671 4.971 4.320 -0.034 0.000 0.246 25 A C -2.235 175.345 177.584 -0.007 0.000 1.099 25 A CA -0.652 51.379 52.037 -0.010 0.000 0.789 25 A CB -0.835 18.157 19.000 -0.013 0.000 1.053 25 A HN 0.573 nan 8.150 nan 0.000 0.503 26 P HA 0.309 nan 4.420 nan 0.000 0.273 26 P C 0.491 177.789 177.300 -0.003 0.000 1.250 26 P CA 0.140 63.235 63.100 -0.008 0.000 0.793 26 P CB 0.311 32.000 31.700 -0.018 0.000 1.011 27 G N 0.283 109.087 108.800 0.006 0.000 2.667 27 G HA2 0.149 4.089 3.960 -0.034 0.000 0.250 27 G HA3 0.149 4.089 3.960 -0.034 0.000 0.250 27 G C -0.568 174.336 174.900 0.006 0.000 1.212 27 G CA -0.411 44.698 45.100 0.015 0.000 0.874 27 G HN 0.444 nan 8.290 nan 0.000 0.561 28 K N 1.776 122.186 120.400 0.018 0.000 2.316 28 K HA 0.243 4.542 4.320 -0.034 0.000 0.289 28 K C -1.982 174.632 176.600 0.023 0.000 1.070 28 K CA -1.496 54.797 56.287 0.009 0.000 0.928 28 K CB 0.854 33.366 32.500 0.021 0.000 1.039 28 K HN 0.221 nan 8.250 nan 0.000 0.480 29 P HA 0.068 nan 4.420 nan 0.000 0.274 29 P C -0.962 176.363 177.300 0.042 0.000 1.231 29 P CA -0.318 62.788 63.100 0.010 0.000 0.790 29 P CB 0.965 32.628 31.700 -0.061 0.000 0.951 30 T N 2.863 117.465 114.554 0.079 0.000 2.758 30 T HA 0.410 4.740 4.350 -0.034 0.000 0.285 30 T C 0.609 175.349 174.700 0.066 0.000 0.981 30 T CA -0.423 61.733 62.100 0.095 0.000 0.965 30 T CB 0.196 69.218 68.868 0.256 0.000 0.927 30 T HN 0.218 nan 8.240 nan 0.000 0.448 31 I N 2.895 123.463 120.570 -0.004 0.000 2.618 31 I HA 0.248 4.398 4.170 -0.034 0.000 0.284 31 I C 1.124 177.183 176.117 -0.096 0.000 1.146 31 I CA -0.482 60.818 61.300 0.000 0.000 1.425 31 I CB 0.506 38.485 38.000 -0.035 0.000 1.383 31 I HN 0.648 nan 8.210 nan 0.000 0.562 32 A N 6.982 129.795 122.820 -0.012 0.000 2.462 32 A HA 0.132 4.432 4.320 -0.034 0.000 0.243 32 A C -0.735 176.824 177.584 -0.041 0.000 1.076 32 A CA -0.303 51.720 52.037 -0.024 0.000 0.773 32 A CB 0.030 19.045 19.000 0.026 0.000 1.010 32 A HN 0.684 nan 8.150 nan 0.000 0.493 33 W N 1.361 122.719 121.300 0.096 0.000 2.257 33 W HA 0.412 5.052 4.660 -0.034 0.000 0.337 33 W C 0.938 177.495 176.519 0.063 0.000 1.321 33 W CA 1.670 59.060 57.345 0.076 0.000 1.267 33 W CB 0.511 30.011 29.460 0.067 0.000 1.187 33 W HN 1.083 nan 8.180 nan 0.000 0.565 34 G N 1.787 110.772 108.800 0.309 0.000 2.328 34 G HA2 0.116 4.056 3.960 -0.034 0.000 0.295 34 G HA3 0.116 4.056 3.960 -0.034 0.000 0.295 34 G C -1.572 173.410 174.900 0.137 0.000 1.413 34 G CA -1.448 43.766 45.100 0.189 0.000 0.817 34 G HN 0.433 nan 8.290 nan 0.000 0.546 35 N N -0.469 118.275 118.700 0.073 0.000 2.412 35 N HA 0.299 5.019 4.740 -0.034 0.000 0.254 35 N C 1.270 176.693 175.510 -0.145 0.000 1.232 35 N CA 1.086 54.097 53.050 -0.065 0.000 0.880 35 N CB 0.986 39.386 38.487 -0.145 0.000 1.076 35 N HN 0.740 nan 8.380 nan 0.000 0.458 36 T N -0.730 113.682 114.554 -0.237 0.000 3.091 36 T HA 0.278 4.608 4.350 -0.034 0.000 0.277 36 T C -0.069 174.378 174.700 -0.423 0.000 0.996 36 T CA -0.286 61.718 62.100 -0.160 0.000 0.897 36 T CB -0.137 68.751 68.868 0.033 0.000 1.109 36 T HN 0.371 nan 8.240 nan 0.000 0.534 37 K N 1.237 121.159 120.400 -0.796 0.000 2.307 37 K HA 0.658 4.958 4.320 -0.034 0.000 0.263 37 K C -1.582 174.451 176.600 -0.944 0.000 0.973 37 K CA -0.615 55.291 56.287 -0.636 0.000 0.846 37 K CB 1.340 33.568 32.500 -0.453 0.000 1.100 37 K HN 0.146 nan 8.250 nan 0.000 0.438 38 F N 0.731 120.608 119.950 -0.121 0.000 2.603 38 F HA 0.702 5.209 4.527 -0.034 0.000 0.317 38 F C -0.256 175.457 175.800 -0.144 0.000 1.066 38 F CA -1.080 56.845 58.000 -0.126 0.000 0.941 38 F CB 2.011 40.945 39.000 -0.110 0.000 1.291 38 F HN 0.437 nan 8.300 nan 0.000 0.472 39 A N 1.194 124.051 122.820 0.061 0.000 2.449 39 A HA 0.717 5.017 4.320 -0.034 0.000 0.302 39 A C 0.012 177.614 177.584 0.030 0.000 1.048 39 A CA -0.558 51.467 52.037 -0.021 0.000 0.708 39 A CB 0.976 19.907 19.000 -0.114 0.000 1.274 39 A HN 0.809 nan 8.150 nan 0.000 0.410 40 I N 0.786 121.383 120.570 0.046 0.000 2.480 40 I HA -0.024 4.126 4.170 -0.034 0.000 0.251 40 I C 0.059 176.190 176.117 0.023 0.000 1.124 40 I CA 1.056 62.376 61.300 0.034 0.000 1.444 40 I CB 0.196 38.218 38.000 0.038 0.000 1.098 40 I HN 0.329 nan 8.210 nan 0.000 0.428 41 V N 2.569 122.526 119.914 0.071 0.000 2.311 41 V HA 0.193 4.293 4.120 -0.034 0.000 0.275 41 V C -0.140 176.032 176.094 0.129 0.000 1.022 41 V CA -0.600 61.722 62.300 0.037 0.000 0.830 41 V CB 0.883 32.653 31.823 -0.088 0.000 1.012 41 V HN 0.182 nan 8.190 nan 0.000 0.452 42 E N 3.039 123.268 120.200 0.048 0.000 2.301 42 E HA 0.510 4.839 4.350 -0.034 0.000 0.275 42 E C -0.988 175.657 176.600 0.075 0.000 1.030 42 E CA -0.459 55.968 56.400 0.044 0.000 0.852 42 E CB 2.129 31.838 29.700 0.015 0.000 1.060 42 E HN 0.455 nan 8.360 nan 0.000 0.401 43 V N 2.831 122.794 119.914 0.081 0.000 2.448 43 V HA 0.098 4.198 4.120 -0.034 0.000 0.295 43 V C -0.286 175.855 176.094 0.078 0.000 1.025 43 V CA -0.866 61.503 62.300 0.116 0.000 0.859 43 V CB 1.664 33.588 31.823 0.169 0.000 0.988 43 V HN 0.631 nan 8.190 nan 0.000 0.431 44 D N 3.851 124.297 120.400 0.076 0.000 2.316 44 D HA 0.155 4.774 4.640 -0.034 0.000 0.245 44 D C 0.781 177.133 176.300 0.088 0.000 1.171 44 D CA -0.171 53.869 54.000 0.068 0.000 0.856 44 D CB 1.673 42.504 40.800 0.052 0.000 1.090 44 D HN 0.417 nan 8.370 nan 0.000 0.476 45 Q N 2.243 122.097 119.800 0.090 0.000 2.482 45 Q HA 0.122 4.442 4.340 -0.034 0.000 0.209 45 Q C 0.110 176.167 176.000 0.096 0.000 0.961 45 Q CA 0.300 56.167 55.803 0.106 0.000 0.945 45 Q CB 0.565 29.375 28.738 0.121 0.000 1.012 45 Q HN 0.514 nan 8.270 nan 0.000 0.515 46 A N 0.018 122.885 122.820 0.079 0.000 3.253 46 A HA 0.690 4.990 4.320 -0.034 0.000 0.290 46 A C -0.468 177.155 177.584 0.065 0.000 0.950 46 A CA -0.111 51.967 52.037 0.068 0.000 0.986 46 A CB 0.221 19.251 19.000 0.051 0.000 1.104 46 A HN 0.042 nan 8.150 nan 0.000 0.481 47 A N -0.225 122.643 122.820 0.080 0.000 2.422 47 A HA 0.703 5.003 4.320 -0.034 0.000 0.302 47 A C 0.637 178.281 177.584 0.099 0.000 1.041 47 A CA 0.248 52.331 52.037 0.078 0.000 0.708 47 A CB 0.929 19.972 19.000 0.071 0.000 1.257 47 A HN 0.917 nan 8.150 nan 0.000 0.414 48 T N -1.317 113.294 114.554 0.095 0.000 2.985 48 T HA 0.515 4.845 4.350 -0.034 0.000 0.254 48 T C 0.718 175.495 174.700 0.128 0.000 1.021 48 T CA 0.789 62.956 62.100 0.113 0.000 0.957 48 T CB 0.055 68.977 68.868 0.090 0.000 1.047 48 T HN 1.459 nan 8.240 nan 0.000 0.511 49 A N 0.749 123.637 122.820 0.115 0.000 2.309 49 A HA 0.599 4.899 4.320 -0.034 0.000 0.298 49 A C 0.621 178.312 177.584 0.178 0.000 1.165 49 A CA -0.748 51.370 52.037 0.134 0.000 0.821 49 A CB 0.291 19.347 19.000 0.094 0.000 1.102 49 A HN 0.323 nan 8.150 nan 0.000 0.500 50 Y N 2.853 123.218 120.300 0.109 0.000 2.207 50 Y HA -0.249 4.281 4.550 -0.033 0.000 0.287 50 Y C 1.852 177.830 175.900 0.130 0.000 1.156 50 Y CA 2.586 60.774 58.100 0.148 0.000 1.182 50 Y CB -0.067 38.496 38.460 0.173 0.000 0.979 50 Y HN 0.785 nan 8.280 nan 0.000 0.521 51 N N 0.478 119.222 118.700 0.074 0.000 2.205 51 N HA -0.194 4.526 4.740 -0.034 0.000 0.186 51 N C 1.193 176.671 175.510 -0.054 0.000 1.015 51 N CA 1.879 54.920 53.050 -0.016 0.000 0.862 51 N CB -0.548 37.968 38.487 0.048 0.000 0.986 51 N HN 0.606 nan 8.380 nan 0.000 0.429 52 N N -0.365 118.328 118.700 -0.012 0.000 2.395 52 N HA 0.030 4.750 4.740 -0.034 0.000 0.175 52 N C 1.498 177.003 175.510 -0.008 0.000 1.029 52 N CA -0.078 52.970 53.050 -0.003 0.000 0.897 52 N CB 0.107 38.610 38.487 0.027 0.000 0.991 52 N HN 0.017 nan 8.380 nan 0.000 0.441 53 L N 0.888 122.107 121.223 -0.006 0.000 2.083 53 L HA 0.051 4.371 4.340 -0.034 0.000 0.209 53 L C 0.494 177.375 176.870 0.019 0.000 1.083 53 L CA 1.174 56.038 54.840 0.039 0.000 0.752 53 L CB -0.020 42.102 42.059 0.106 0.000 0.899 53 L HN -0.011 nan 8.230 nan 0.000 0.433 54 V N -0.428 119.430 119.914 -0.094 0.000 2.735 54 V HA 0.467 4.566 4.120 -0.034 0.000 0.310 54 V C -0.803 175.216 176.094 -0.125 0.000 1.061 54 V CA -0.727 61.521 62.300 -0.086 0.000 0.913 54 V CB 1.682 33.427 31.823 -0.130 0.000 1.005 54 V HN 0.254 nan 8.190 nan 0.000 0.428 55 K N 5.139 125.488 120.400 -0.085 0.000 2.604 55 K HA 0.603 4.902 4.320 -0.034 0.000 0.247 55 K C -1.568 174.979 176.600 -0.089 0.000 0.956 55 K CA -0.608 55.630 56.287 -0.081 0.000 0.896 55 K CB 1.949 34.424 32.500 -0.041 0.000 1.131 55 K HN 0.700 nan 8.250 nan 0.000 0.440 56 V N 5.199 125.041 119.914 -0.121 0.000 2.455 56 V HA 0.173 4.273 4.120 -0.034 0.000 0.273 56 V C 0.033 176.084 176.094 -0.071 0.000 1.045 56 V CA -0.118 62.109 62.300 -0.121 0.000 0.976 56 V CB 0.674 32.402 31.823 -0.158 0.000 0.993 56 V HN 0.703 nan 8.190 nan 0.000 0.475 57 K N 3.404 123.773 120.400 -0.051 0.000 2.185 57 K HA 0.427 4.726 4.320 -0.034 0.000 0.240 57 K C 0.427 177.010 176.600 -0.028 0.000 0.983 57 K CA -0.705 55.563 56.287 -0.033 0.000 0.873 57 K CB 1.291 33.778 32.500 -0.022 0.000 1.118 57 K HN 0.440 nan 8.250 nan 0.000 0.441 58 N N -0.078 118.611 118.700 -0.019 0.000 2.457 58 N HA -0.003 4.717 4.740 -0.034 0.000 0.180 58 N C -0.573 174.934 175.510 -0.004 0.000 1.050 58 N CA 0.338 53.381 53.050 -0.012 0.000 0.906 58 N CB 0.443 38.925 38.487 -0.008 0.000 0.968 58 N HN 0.516 nan 8.380 nan 0.000 0.445 59 A N -0.438 122.378 122.820 -0.007 0.000 2.612 59 A HA 0.759 5.059 4.320 -0.034 0.000 0.293 59 A C -1.418 176.154 177.584 -0.020 0.000 1.075 59 A CA -0.811 51.222 52.037 -0.006 0.000 0.680 59 A CB 0.714 19.712 19.000 -0.004 0.000 1.279 59 A HN 0.071 nan 8.150 nan 0.000 0.411 60 A N 0.980 123.784 122.820 -0.026 0.000 2.363 60 A HA 0.545 4.845 4.320 -0.034 0.000 0.270 60 A C -0.477 177.027 177.584 -0.134 0.000 1.121 60 A CA -0.308 51.702 52.037 -0.044 0.000 0.800 60 A CB -0.023 18.971 19.000 -0.011 0.000 1.052 60 A HN 0.645 nan 8.150 nan 0.000 0.493 61 D N 1.987 122.309 120.400 -0.130 0.000 2.339 61 D HA 0.347 4.967 4.640 -0.034 0.000 0.256 61 D C -0.333 175.680 176.300 -0.478 0.000 1.214 61 D CA 0.444 54.304 54.000 -0.232 0.000 0.877 61 D CB 1.275 42.000 40.800 -0.125 0.000 1.111 61 D HN 0.151 nan 8.370 nan 0.000 0.478 62 V N 1.583 120.974 119.914 -0.871 0.000 2.667 62 V HA 0.491 4.591 4.120 -0.034 0.000 0.308 62 V C 0.211 175.586 176.094 -1.198 0.000 1.048 62 V CA -0.548 60.825 62.300 -1.545 0.000 0.928 62 V CB 2.168 32.947 31.823 -1.740 0.000 1.004 62 V HN 0.467 nan 8.190 nan 0.000 0.444 63 S N 2.056 117.255 115.700 -0.835 0.000 2.536 63 S HA 0.883 5.332 4.470 -0.034 0.000 0.287 63 S C -1.373 173.139 174.600 -0.147 0.000 1.101 63 S CA -0.415 57.558 58.200 -0.377 0.000 0.950 63 S CB 1.770 64.887 63.200 -0.139 0.000 1.056 63 S HN 0.510 nan 8.310 nan 0.000 0.481 64 V N 2.753 122.642 119.914 -0.041 0.000 2.888 64 V HA 0.687 4.787 4.120 -0.034 0.000 0.309 64 V C -0.430 175.714 176.094 0.084 0.000 1.114 64 V CA -0.660 61.697 62.300 0.095 0.000 0.940 64 V CB 2.247 34.186 31.823 0.194 0.000 1.021 64 V HN 0.873 nan 8.190 nan 0.000 0.426 65 S N 1.980 117.724 115.700 0.074 0.000 2.634 65 S HA 0.892 5.341 4.470 -0.034 0.000 0.296 65 S C -1.482 173.182 174.600 0.107 0.000 1.104 65 S CA -0.639 57.506 58.200 -0.092 0.000 0.920 65 S CB 2.055 65.140 63.200 -0.192 0.000 1.111 65 S HN 0.872 nan 8.310 nan 0.000 0.493 66 W N 0.335 121.578 121.300 -0.095 0.000 3.137 66 W HA 0.720 5.359 4.660 -0.034 0.000 0.324 66 W C -1.512 174.912 176.519 -0.159 0.000 1.253 66 W CA -0.614 56.665 57.345 -0.109 0.000 1.183 66 W CB 0.651 30.052 29.460 -0.099 0.000 1.424 66 W HN 0.344 nan 8.180 nan 0.000 0.566 67 N N 1.508 120.185 118.700 -0.038 0.000 2.240 67 N HA 0.583 5.303 4.740 -0.034 0.000 0.302 67 N C -2.116 173.188 175.510 -0.343 0.000 1.106 67 N CA -0.752 52.088 53.050 -0.351 0.000 0.778 67 N CB 2.542 40.593 38.487 -0.727 0.000 1.431 67 N HN 0.629 nan 8.380 nan 0.000 0.479 68 L N 1.325 122.302 121.223 -0.411 0.000 2.316 68 L HA 0.456 4.775 4.340 -0.034 0.000 0.280 68 L C -0.312 176.339 176.870 -0.364 0.000 1.006 68 L CA -0.382 54.301 54.840 -0.261 0.000 0.836 68 L CB 0.814 42.838 42.059 -0.059 0.000 1.221 68 L HN 0.635 nan 8.230 nan 0.000 0.418 69 W N 2.590 123.920 121.300 0.051 0.000 2.576 69 W HA 0.187 4.827 4.660 -0.034 0.000 0.270 69 W C 0.310 176.848 176.519 0.033 0.000 1.255 69 W CA -0.184 57.184 57.345 0.038 0.000 1.314 69 W CB 0.295 29.775 29.460 0.034 0.000 1.101 69 W HN 0.488 nan 8.180 nan 0.000 0.595 70 N N -0.629 118.192 118.700 0.200 0.000 2.504 70 N HA 0.524 5.244 4.740 -0.034 0.000 0.280 70 N C -0.109 175.446 175.510 0.074 0.000 1.052 70 N CA 0.323 53.452 53.050 0.131 0.000 0.887 70 N CB 1.778 40.337 38.487 0.121 0.000 1.323 70 N HN 0.049 nan 8.380 nan 0.000 0.509 71 G N 1.339 110.172 108.800 0.056 0.000 2.409 71 G HA2 -0.164 3.776 3.960 -0.034 0.000 0.421 71 G HA3 -0.164 3.776 3.960 -0.034 0.000 0.421 71 G C -1.641 173.274 174.900 0.025 0.000 1.259 71 G CA -0.953 44.169 45.100 0.037 0.000 1.011 71 G HN 0.514 nan 8.290 nan 0.000 0.497 72 D N 0.463 120.874 120.400 0.020 0.000 2.351 72 D HA 0.409 5.029 4.640 -0.034 0.000 0.251 72 D C 1.970 178.279 176.300 0.015 0.000 1.137 72 D CA 0.669 54.678 54.000 0.015 0.000 0.879 72 D CB 1.206 42.013 40.800 0.011 0.000 1.181 72 D HN 0.792 nan 8.370 nan 0.000 0.448 73 T N 0.881 115.447 114.554 0.021 0.000 3.148 73 T HA 0.341 4.671 4.350 -0.034 0.000 0.253 73 T C 1.088 175.804 174.700 0.028 0.000 1.134 73 T CA 0.365 62.485 62.100 0.033 0.000 1.051 73 T CB -0.356 68.545 68.868 0.055 0.000 0.959 73 T HN 0.716 nan 8.240 nan 0.000 0.525 74 G N 0.998 109.805 108.800 0.013 0.000 2.796 74 G HA2 -0.142 3.798 3.960 -0.034 0.000 0.571 74 G HA3 -0.142 3.798 3.960 -0.034 0.000 0.571 74 G C 0.445 175.351 174.900 0.009 0.000 1.370 74 G CA 0.199 45.300 45.100 0.002 0.000 0.856 74 G HN 0.947 nan 8.290 nan 0.000 0.538 75 T N -3.820 110.733 114.554 -0.002 0.000 2.975 75 T HA 0.517 4.847 4.350 -0.034 0.000 0.257 75 T C 0.772 175.469 174.700 -0.004 0.000 1.003 75 T CA 1.411 63.512 62.100 0.001 0.000 0.932 75 T CB 0.657 69.521 68.868 -0.008 0.000 1.087 75 T HN 1.082 nan 8.240 nan 0.000 0.512 76 T N 2.031 116.572 114.554 -0.021 0.000 2.886 76 T HA 0.772 5.102 4.350 -0.034 0.000 0.292 76 T C -0.897 173.777 174.700 -0.043 0.000 1.012 76 T CA -0.616 61.459 62.100 -0.040 0.000 0.982 76 T CB 1.786 70.609 68.868 -0.076 0.000 1.018 76 T HN 0.462 nan 8.240 nan 0.000 0.451 77 A N 3.185 125.999 122.820 -0.009 0.000 2.340 77 A HA 0.870 5.170 4.320 -0.034 0.000 0.331 77 A C -0.509 177.061 177.584 -0.024 0.000 1.140 77 A CA -0.764 51.232 52.037 -0.068 0.000 0.801 77 A CB 1.003 19.974 19.000 -0.049 0.000 1.234 77 A HN 0.749 nan 8.150 nan 0.000 0.469 78 K N 0.576 120.904 120.400 -0.121 0.000 2.426 78 K HA 0.608 4.908 4.320 -0.034 0.000 0.251 78 K C -1.554 174.991 176.600 -0.092 0.000 0.941 78 K CA -0.730 55.533 56.287 -0.040 0.000 0.808 78 K CB 2.636 35.069 32.500 -0.112 0.000 1.265 78 K HN 0.394 nan 8.250 nan 0.000 0.432 79 V N 3.873 123.774 119.914 -0.021 0.000 2.398 79 V HA 0.404 4.504 4.120 -0.034 0.000 0.286 79 V C -0.388 175.581 176.094 -0.208 0.000 1.026 79 V CA -0.828 61.367 62.300 -0.175 0.000 0.868 79 V CB 1.009 32.655 31.823 -0.294 0.000 0.982 79 V HN 0.530 nan 8.190 nan 0.000 0.443 80 L N 5.815 126.947 121.223 -0.152 0.000 2.325 80 L HA 0.643 4.963 4.340 -0.034 0.000 0.278 80 L C -0.741 176.078 176.870 -0.084 0.000 1.023 80 L CA -0.611 54.158 54.840 -0.119 0.000 0.811 80 L CB 1.764 43.775 42.059 -0.080 0.000 1.249 80 L HN 0.399 nan 8.230 nan 0.000 0.431 81 L N 3.605 124.785 121.223 -0.072 0.000 2.319 81 L HA 0.416 4.736 4.340 -0.034 0.000 0.281 81 L C -0.267 176.654 176.870 0.084 0.000 1.005 81 L CA -0.700 54.144 54.840 0.007 0.000 0.828 81 L CB 1.342 43.330 42.059 -0.120 0.000 1.227 81 L HN 0.656 nan 8.230 nan 0.000 0.415 82 N N 3.132 121.899 118.700 0.113 0.000 2.727 82 N HA -0.219 4.501 4.740 -0.034 0.000 0.249 82 N C 0.978 176.512 175.510 0.039 0.000 1.048 82 N CA 1.289 54.391 53.050 0.086 0.000 0.714 82 N CB -0.896 37.664 38.487 0.123 0.000 0.959 82 N HN 1.134 nan 8.380 nan 0.000 0.544 83 G N -1.273 107.534 108.800 0.012 0.000 2.225 83 G HA2 -0.368 3.572 3.960 -0.034 0.000 0.254 83 G HA3 -0.368 3.572 3.960 -0.034 0.000 0.254 83 G C 0.029 174.914 174.900 -0.025 0.000 0.988 83 G CA 0.751 45.845 45.100 -0.010 0.000 0.625 83 G HN 0.677 nan 8.290 nan 0.000 0.527 84 K N 1.259 121.645 120.400 -0.024 0.000 2.185 84 K HA 0.490 4.789 4.320 -0.034 0.000 0.269 84 K C 0.258 176.809 176.600 -0.081 0.000 0.987 84 K CA -0.634 55.628 56.287 -0.042 0.000 0.865 84 K CB 0.829 33.317 32.500 -0.021 0.000 1.090 84 K HN 0.244 nan 8.250 nan 0.000 0.450 85 E N 3.183 123.327 120.200 -0.094 0.000 2.415 85 E HA -0.025 4.305 4.350 -0.034 0.000 0.260 85 E C -0.207 176.295 176.600 -0.163 0.000 1.016 85 E CA 0.080 56.402 56.400 -0.130 0.000 0.924 85 E CB 0.828 30.457 29.700 -0.118 0.000 0.961 85 E HN 0.739 nan 8.360 nan 0.000 0.459 86 A N 5.026 127.689 122.820 -0.261 0.000 2.229 86 A HA 0.136 4.436 4.320 -0.034 0.000 0.211 86 A C -0.350 177.041 177.584 -0.322 0.000 1.193 86 A CA -0.165 51.659 52.037 -0.355 0.000 0.879 86 A CB 0.145 18.749 19.000 -0.660 0.000 0.911 86 A HN 0.755 nan 8.150 nan 0.000 0.492 87 W N -0.472 120.536 121.300 -0.486 0.000 3.419 87 W HA 0.491 5.131 4.660 -0.034 0.000 0.298 87 W C -1.128 175.262 176.519 -0.215 0.000 1.260 87 W CA 0.181 57.334 57.345 -0.320 0.000 1.199 87 W CB 1.142 30.383 29.460 -0.365 0.000 1.349 87 W HN 0.290 nan 8.180 nan 0.000 0.557 88 S N 3.383 118.537 115.700 -0.910 0.000 2.537 88 S HA 0.953 5.403 4.470 -0.034 0.000 0.270 88 S C -0.856 172.902 174.600 -1.403 0.000 1.142 88 S CA -0.214 57.451 58.200 -0.891 0.000 0.870 88 S CB 1.679 64.622 63.200 -0.428 0.000 1.112 88 S HN 1.452 nan 8.310 nan 0.000 0.466 89 G N 0.610 108.816 108.800 -0.991 0.000 2.559 89 G HA2 0.687 4.627 3.960 -0.034 0.000 0.291 89 G HA3 0.687 4.627 3.960 -0.034 0.000 0.291 89 G C -3.646 171.166 174.900 -0.147 0.000 1.424 89 G CA -1.177 43.577 45.100 -0.577 0.000 0.786 89 G HN 0.607 nan 8.290 nan 0.000 0.485 90 P HA 0.252 nan 4.420 nan 0.000 0.266 90 P C -0.133 177.237 177.300 0.117 0.000 1.195 90 P CA 0.086 63.201 63.100 0.025 0.000 0.768 90 P CB 1.210 32.927 31.700 0.029 0.000 0.838 91 S N 1.480 117.244 115.700 0.106 0.000 2.410 91 S HA 0.286 4.736 4.470 -0.034 0.000 0.304 91 S C 0.852 175.525 174.600 0.122 0.000 1.095 91 S CA -0.213 58.088 58.200 0.169 0.000 1.089 91 S CB -0.585 62.692 63.200 0.128 0.000 0.968 91 S HN 0.520 nan 8.310 nan 0.000 0.480 92 T N 1.383 116.014 114.554 0.128 0.000 3.044 92 T HA 0.568 4.897 4.350 -0.034 0.000 0.260 92 T C 0.745 175.472 174.700 0.046 0.000 1.019 92 T CA 0.121 62.264 62.100 0.071 0.000 0.921 92 T CB 0.332 69.237 68.868 0.060 0.000 1.053 92 T HN 0.803 nan 8.240 nan 0.000 0.533 93 G N 0.804 109.636 108.800 0.052 0.000 2.428 93 G HA2 0.405 4.344 3.960 -0.034 0.000 0.304 93 G HA3 0.405 4.344 3.960 -0.034 0.000 0.304 93 G C 0.272 175.175 174.900 0.005 0.000 1.303 93 G CA -0.069 45.037 45.100 0.011 0.000 0.825 93 G HN 0.165 nan 8.290 nan 0.000 0.484 94 S N -0.946 114.724 115.700 -0.049 0.000 2.515 94 S HA 0.304 4.753 4.470 -0.034 0.000 0.231 94 S C 0.910 175.406 174.600 -0.174 0.000 0.987 94 S CA 0.943 59.085 58.200 -0.096 0.000 0.936 94 S CB -0.008 63.105 63.200 -0.144 0.000 0.766 94 S HN 0.670 nan 8.310 nan 0.000 0.528 95 S N -0.289 115.281 115.700 -0.217 0.000 2.570 95 S HA 0.831 5.281 4.470 -0.034 0.000 0.286 95 S C -0.101 174.150 174.600 -0.581 0.000 1.099 95 S CA -0.546 57.407 58.200 -0.413 0.000 0.913 95 S CB 2.029 65.019 63.200 -0.351 0.000 1.085 95 S HN 0.602 nan 8.310 nan 0.000 0.480 96 G N 0.273 108.312 108.800 -1.270 0.000 2.684 96 G HA2 0.672 4.612 3.960 -0.034 0.000 0.290 96 G HA3 0.672 4.612 3.960 -0.034 0.000 0.290 96 G C -1.646 172.234 174.900 -1.699 0.000 1.425 96 G CA -0.516 43.760 45.100 -1.374 0.000 0.822 96 G HN 0.603 nan 8.290 nan 0.000 0.482 97 T N -0.213 113.737 114.554 -1.008 0.000 2.916 97 T HA 0.738 5.068 4.350 -0.034 0.000 0.298 97 T C -0.461 173.981 174.700 -0.429 0.000 1.031 97 T CA -0.077 61.655 62.100 -0.613 0.000 0.993 97 T CB 1.734 70.400 68.868 -0.336 0.000 1.045 97 T HN 1.273 nan 8.240 nan 0.000 0.454 98 A N 3.327 125.907 122.820 -0.401 0.000 2.371 98 A HA 0.822 5.121 4.320 -0.034 0.000 0.311 98 A C -0.772 176.574 177.584 -0.398 0.000 1.068 98 A CA -0.877 50.668 52.037 -0.820 0.000 0.744 98 A CB 0.901 19.019 19.000 -1.470 0.000 1.239 98 A HN 0.707 nan 8.150 nan 0.000 0.435 99 N N 1.453 119.991 118.700 -0.270 0.000 2.354 99 N HA 0.774 5.494 4.740 -0.034 0.000 0.287 99 N C -1.195 174.344 175.510 0.048 0.000 1.016 99 N CA 0.038 52.984 53.050 -0.173 0.000 0.871 99 N CB 1.882 40.313 38.487 -0.094 0.000 1.299 99 N HN 0.643 nan 8.380 nan 0.000 0.482 100 F N -1.273 118.612 119.950 -0.108 0.000 2.779 100 F HA 0.590 5.097 4.527 -0.034 0.000 0.316 100 F C -0.911 174.832 175.800 -0.094 0.000 1.164 100 F CA -1.186 56.805 58.000 -0.015 0.000 0.924 100 F CB 1.365 40.404 39.000 0.066 0.000 1.348 100 F HN -0.053 nan 8.300 nan 0.000 0.467 101 K N 1.211 121.702 120.400 0.152 0.000 2.164 101 K HA 0.769 5.069 4.320 -0.034 0.000 0.258 101 K C -1.649 174.990 176.600 0.066 0.000 0.951 101 K CA -1.084 55.210 56.287 0.010 0.000 0.844 101 K CB 2.513 35.027 32.500 0.023 0.000 1.099 101 K HN 0.534 nan 8.250 nan 0.000 0.435 102 V N 3.442 123.337 119.914 -0.032 0.000 2.483 102 V HA 0.115 4.215 4.120 -0.034 0.000 0.297 102 V C -0.025 176.069 176.094 0.001 0.000 1.027 102 V CA -0.881 61.403 62.300 -0.026 0.000 0.855 102 V CB 1.370 33.128 31.823 -0.108 0.000 0.995 102 V HN 0.866 nan 8.190 nan 0.000 0.424 103 N N 2.850 121.564 118.700 0.024 0.000 2.235 103 N HA 0.109 4.829 4.740 -0.034 0.000 0.209 103 N C -0.094 175.458 175.510 0.069 0.000 1.122 103 N CA -0.298 52.775 53.050 0.038 0.000 0.845 103 N CB 0.481 38.985 38.487 0.029 0.000 1.004 103 N HN 0.681 nan 8.380 nan 0.000 0.499 104 K N 0.070 120.540 120.400 0.118 0.000 2.443 104 K HA 0.571 4.871 4.320 -0.034 0.000 0.252 104 K C -0.111 176.629 176.600 0.232 0.000 0.933 104 K CA -0.825 55.558 56.287 0.160 0.000 0.792 104 K CB 1.632 34.237 32.500 0.175 0.000 1.185 104 K HN 0.064 nan 8.250 nan 0.000 0.425 105 G N 1.474 110.374 108.800 0.167 0.000 2.544 105 G HA2 0.483 4.423 3.960 -0.034 0.000 0.242 105 G HA3 0.483 4.423 3.960 -0.034 0.000 0.242 105 G C 0.067 175.045 174.900 0.129 0.000 1.247 105 G CA 0.371 45.576 45.100 0.174 0.000 0.840 105 G HN 0.933 nan 8.290 nan 0.000 0.578 106 G N 0.432 109.292 108.800 0.099 0.000 2.350 106 G HA2 0.312 4.252 3.960 -0.034 0.000 0.282 106 G HA3 0.312 4.252 3.960 -0.034 0.000 0.282 106 G C -1.057 173.768 174.900 -0.125 0.000 1.314 106 G CA -1.076 43.979 45.100 -0.076 0.000 0.915 106 G HN 0.751 nan 8.290 nan 0.000 0.499 107 R N -0.518 119.828 120.500 -0.258 0.000 2.445 107 R HA 0.637 4.957 4.340 -0.034 0.000 0.308 107 R C -1.440 174.700 176.300 -0.267 0.000 0.961 107 R CA -0.538 55.489 56.100 -0.122 0.000 0.862 107 R CB 1.644 31.917 30.300 -0.045 0.000 1.144 107 R HN 0.488 nan 8.270 nan 0.000 0.447 108 Y N 0.623 120.963 120.300 0.066 0.000 2.485 108 Y HA 0.219 4.749 4.550 -0.034 0.000 0.345 108 Y C 0.090 176.021 175.900 0.051 0.000 0.998 108 Y CA -1.061 57.073 58.100 0.057 0.000 1.059 108 Y CB 1.870 40.373 38.460 0.072 0.000 1.234 108 Y HN 0.197 nan 8.280 nan 0.000 0.461 109 Q N 3.893 123.802 119.800 0.181 0.000 2.337 109 Q HA 0.205 4.525 4.340 -0.034 0.000 0.255 109 Q C -0.502 175.566 176.000 0.114 0.000 0.997 109 Q CA -0.062 55.810 55.803 0.115 0.000 0.925 109 Q CB 1.369 30.147 28.738 0.068 0.000 1.212 109 Q HN 0.591 nan 8.270 nan 0.000 0.436 110 M N 3.080 122.742 119.600 0.103 0.000 2.300 110 M HA 0.311 4.771 4.480 -0.034 0.000 0.348 110 M C -1.166 175.152 176.300 0.030 0.000 1.151 110 M CA -0.142 55.202 55.300 0.074 0.000 1.046 110 M CB 1.211 33.879 32.600 0.112 0.000 1.647 110 M HN 0.576 nan 8.290 nan 0.000 0.451 111 Q N 2.498 122.293 119.800 -0.009 0.000 2.413 111 Q HA 0.676 4.996 4.340 -0.034 0.000 0.276 111 Q C -1.448 174.498 176.000 -0.091 0.000 1.099 111 Q CA -0.971 54.808 55.803 -0.041 0.000 0.814 111 Q CB 3.197 31.908 28.738 -0.045 0.000 1.379 111 Q HN 0.601 nan 8.270 nan 0.000 0.436 112 V N 1.228 121.063 119.914 -0.132 0.000 2.398 112 V HA 0.741 4.841 4.120 -0.034 0.000 0.286 112 V C -0.688 175.252 176.094 -0.257 0.000 1.026 112 V CA -0.513 61.625 62.300 -0.269 0.000 0.868 112 V CB 1.300 32.884 31.823 -0.398 0.000 0.982 112 V HN 0.817 nan 8.190 nan 0.000 0.443 113 A N 6.099 128.762 122.820 -0.262 0.000 2.342 113 A HA 0.894 5.194 4.320 -0.034 0.000 0.323 113 A C -0.921 176.529 177.584 -0.224 0.000 1.125 113 A CA -0.588 51.333 52.037 -0.193 0.000 0.785 113 A CB 0.984 19.904 19.000 -0.134 0.000 1.221 113 A HN 0.789 nan 8.150 nan 0.000 0.463 114 L N 1.559 122.679 121.223 -0.173 0.000 2.307 114 L HA 0.515 4.835 4.340 -0.034 0.000 0.284 114 L C -0.727 176.092 176.870 -0.084 0.000 1.023 114 L CA -0.522 54.238 54.840 -0.134 0.000 0.810 114 L CB 1.477 43.474 42.059 -0.102 0.000 1.231 114 L HN 0.701 nan 8.230 nan 0.000 0.423 115 c N 2.317 120.875 118.600 -0.071 0.000 2.561 115 c HA 0.725 5.275 4.570 -0.034 0.000 0.319 115 c C -0.069 173.997 174.090 -0.039 0.000 1.198 115 c CA -0.708 55.588 56.329 -0.055 0.000 1.665 115 c CB 1.490 43.962 42.510 -0.062 0.000 2.258 115 c HN 0.965 nan 8.230 nan 0.000 0.493 116 N N 0.318 118.999 118.700 -0.032 0.000 3.278 116 N HA 0.546 5.266 4.740 -0.034 0.000 0.307 116 N C 0.277 175.772 175.510 -0.025 0.000 1.551 116 N CA -0.190 52.845 53.050 -0.025 0.000 0.794 116 N CB 0.330 38.807 38.487 -0.017 0.000 1.770 116 N HN 0.507 nan 8.380 nan 0.000 0.612 117 A N -0.842 121.966 122.820 -0.021 0.000 2.019 117 A HA -0.111 4.188 4.320 -0.034 0.000 0.219 117 A C 0.814 178.387 177.584 -0.019 0.000 1.164 117 A CA 1.709 53.734 52.037 -0.020 0.000 0.644 117 A CB -0.769 18.221 19.000 -0.017 0.000 0.805 117 A HN 0.649 nan 8.150 nan 0.000 0.449 118 D N -1.142 119.248 120.400 -0.016 0.000 2.340 118 D HA 0.367 4.987 4.640 -0.034 0.000 0.220 118 D C 0.895 177.185 176.300 -0.017 0.000 1.039 118 D CA 1.323 55.314 54.000 -0.015 0.000 0.866 118 D CB 0.506 41.299 40.800 -0.011 0.000 0.913 118 D HN 0.553 nan 8.370 nan 0.000 0.523 119 G N -1.161 107.626 108.800 -0.022 0.000 2.368 119 G HA2 0.138 4.078 3.960 -0.034 0.000 0.302 119 G HA3 0.138 4.078 3.960 -0.034 0.000 0.302 119 G C -1.466 173.415 174.900 -0.031 0.000 1.329 119 G CA -0.818 44.267 45.100 -0.025 0.000 0.935 119 G HN 0.119 nan 8.290 nan 0.000 0.590 120 c N 0.084 118.663 118.600 -0.035 0.000 2.455 120 c HA 0.898 5.448 4.570 -0.034 0.000 0.320 120 c C 0.193 174.257 174.090 -0.043 0.000 1.226 120 c CA -0.348 55.953 56.329 -0.046 0.000 1.569 120 c CB 1.221 43.699 42.510 -0.054 0.000 2.200 120 c HN 0.851 nan 8.230 nan 0.000 0.491 121 T N 2.504 117.028 114.554 -0.051 0.000 2.840 121 T HA 0.664 4.994 4.350 -0.034 0.000 0.287 121 T C -0.278 174.386 174.700 -0.060 0.000 0.991 121 T CA -0.122 61.952 62.100 -0.043 0.000 0.964 121 T CB 1.396 70.245 68.868 -0.032 0.000 0.954 121 T HN 0.891 nan 8.240 nan 0.000 0.438 122 A N 2.836 125.624 122.820 -0.053 0.000 2.312 122 A HA 0.799 5.099 4.320 -0.034 0.000 0.326 122 A C 0.696 178.250 177.584 -0.051 0.000 1.172 122 A CA -0.791 51.207 52.037 -0.065 0.000 0.821 122 A CB 0.583 19.550 19.000 -0.055 0.000 1.166 122 A HN 0.909 nan 8.150 nan 0.000 0.493 123 S N 1.989 117.652 115.700 -0.061 0.000 2.587 123 S HA 0.173 4.623 4.470 -0.034 0.000 0.260 123 S C -0.125 174.459 174.600 -0.026 0.000 1.353 123 S CA -0.438 57.739 58.200 -0.039 0.000 0.995 123 S CB 0.123 63.295 63.200 -0.048 0.000 0.912 123 S HN 0.640 nan 8.310 nan 0.000 0.568 124 D N 1.114 121.504 120.400 -0.017 0.000 2.400 124 D HA 0.396 5.015 4.640 -0.034 0.000 0.238 124 D C 0.442 176.733 176.300 -0.014 0.000 1.157 124 D CA 0.448 54.441 54.000 -0.013 0.000 0.889 124 D CB 0.372 41.166 40.800 -0.010 0.000 1.199 124 D HN 0.859 nan 8.370 nan 0.000 0.436 125 A N 1.432 124.249 122.820 -0.004 0.000 2.425 125 A HA 0.408 4.708 4.320 -0.034 0.000 0.249 125 A C 0.238 177.829 177.584 0.011 0.000 1.084 125 A CA -0.016 52.026 52.037 0.008 0.000 0.781 125 A CB 0.356 19.367 19.000 0.018 0.000 1.019 125 A HN 0.401 nan 8.150 nan 0.000 0.490 126 T N 1.884 116.453 114.554 0.024 0.000 2.807 126 T HA 0.344 4.673 4.350 -0.034 0.000 0.279 126 T C -0.181 174.563 174.700 0.073 0.000 0.993 126 T CA -0.373 61.749 62.100 0.036 0.000 0.970 126 T CB 1.138 70.020 68.868 0.023 0.000 0.950 126 T HN 0.768 nan 8.240 nan 0.000 0.441 127 E N 3.504 123.750 120.200 0.077 0.000 2.344 127 E HA 0.366 4.696 4.350 -0.034 0.000 0.270 127 E C -0.358 176.321 176.600 0.132 0.000 1.021 127 E CA -0.464 55.996 56.400 0.099 0.000 0.887 127 E CB 0.440 30.182 29.700 0.070 0.000 0.997 127 E HN 0.622 nan 8.360 nan 0.000 0.429 128 I N 0.763 121.449 120.570 0.192 0.000 2.603 128 I HA 0.539 4.689 4.170 -0.034 0.000 0.300 128 I C -1.102 175.169 176.117 0.256 0.000 1.017 128 I CA -1.192 60.253 61.300 0.242 0.000 1.098 128 I CB 2.038 40.244 38.000 0.344 0.000 1.279 128 I HN 0.149 nan 8.210 nan 0.000 0.437 129 V N 5.773 125.813 119.914 0.209 0.000 2.378 129 V HA 0.344 4.444 4.120 -0.034 0.000 0.288 129 V C -0.073 176.141 176.094 0.200 0.000 1.016 129 V CA -0.587 61.812 62.300 0.164 0.000 0.840 129 V CB 1.465 33.322 31.823 0.057 0.000 0.994 129 V HN 0.575 nan 8.190 nan 0.000 0.431 130 V N 4.915 124.979 119.914 0.249 0.000 2.311 130 V HA 0.621 4.721 4.120 -0.034 0.000 0.275 130 V C 0.688 176.833 176.094 0.085 0.000 1.022 130 V CA -0.516 61.911 62.300 0.211 0.000 0.830 130 V CB 1.353 33.362 31.823 0.309 0.000 1.012 130 V HN 0.944 nan 8.190 nan 0.000 0.452 131 A N 3.909 126.663 122.820 -0.110 0.000 2.388 131 A HA 0.648 4.947 4.320 -0.034 0.000 0.257 131 A C -0.248 177.285 177.584 -0.086 0.000 1.095 131 A CA 0.037 51.790 52.037 -0.473 0.000 0.791 131 A CB 0.636 19.157 19.000 -0.797 0.000 1.029 131 A HN 0.774 nan 8.150 nan 0.000 0.489 132 D N -0.754 119.689 120.400 0.072 0.000 2.583 132 D HA 0.393 5.012 4.640 -0.034 0.000 0.248 132 D C 0.774 177.194 176.300 0.199 0.000 1.209 132 D CA 0.431 54.535 54.000 0.173 0.000 0.848 132 D CB 1.514 42.383 40.800 0.116 0.000 1.431 132 D HN 0.435 nan 8.370 nan 0.000 0.436 133 T N -1.865 112.693 114.554 0.005 0.000 3.169 133 T HA 0.044 4.374 4.350 -0.034 0.000 0.250 133 T C 0.733 175.520 174.700 0.144 0.000 1.111 133 T CA 0.246 62.321 62.100 -0.042 0.000 1.010 133 T CB -0.186 68.625 68.868 -0.096 0.000 0.984 133 T HN 0.374 nan 8.240 nan 0.000 0.537 134 D N 1.070 121.545 120.400 0.123 0.000 2.355 134 D HA 0.156 4.775 4.640 -0.034 0.000 0.218 134 D C 1.660 178.017 176.300 0.095 0.000 1.004 134 D CA 0.524 54.593 54.000 0.115 0.000 0.880 134 D CB -0.816 40.030 40.800 0.077 0.000 0.911 134 D HN 0.536 nan 8.370 nan 0.000 0.528 135 G N 0.457 109.347 108.800 0.151 0.000 2.136 135 G HA2 -0.350 3.590 3.960 -0.034 0.000 0.242 135 G HA3 -0.350 3.590 3.960 -0.034 0.000 0.242 135 G C 1.091 175.990 174.900 -0.001 0.000 0.989 135 G CA 0.833 45.955 45.100 0.036 0.000 0.682 135 G HN 0.604 nan 8.290 nan 0.000 0.522 136 S N 0.331 116.116 115.700 0.142 0.000 2.447 136 S HA -0.123 4.326 4.470 -0.034 0.000 0.233 136 S C 1.912 176.568 174.600 0.094 0.000 1.006 136 S CA 1.590 59.841 58.200 0.086 0.000 0.957 136 S CB -0.539 62.719 63.200 0.096 0.000 0.773 136 S HN 1.053 nan 8.310 nan 0.000 0.507 137 H N 0.624 119.706 119.070 0.021 0.000 2.548 137 H HA 0.411 4.947 4.556 -0.034 0.000 0.265 137 H C 0.502 175.818 175.328 -0.020 0.000 0.969 137 H CA -0.321 55.729 56.048 0.004 0.000 1.155 137 H CB -0.451 29.327 29.762 0.028 0.000 1.394 137 H HN 0.364 nan 8.280 nan 0.000 0.570 138 L N 1.319 122.243 121.223 -0.499 0.000 2.360 138 L HA 0.555 4.874 4.340 -0.034 0.000 0.271 138 L C 0.621 177.362 176.870 -0.216 0.000 1.057 138 L CA -0.950 53.643 54.840 -0.412 0.000 0.803 138 L CB 1.471 43.237 42.059 -0.489 0.000 1.207 138 L HN 0.150 nan 8.230 nan 0.000 0.445 139 A N 3.203 125.923 122.820 -0.166 0.000 2.406 139 A HA 0.469 4.769 4.320 -0.034 0.000 0.243 139 A C -2.330 175.169 177.584 -0.142 0.000 1.082 139 A CA -0.998 50.962 52.037 -0.129 0.000 0.786 139 A CB -0.520 18.418 19.000 -0.103 0.000 1.029 139 A HN 0.419 nan 8.150 nan 0.000 0.495 140 P HA 0.230 nan 4.420 nan 0.000 0.276 140 P C -0.749 176.469 177.300 -0.136 0.000 1.235 140 P CA -0.169 62.844 63.100 -0.144 0.000 0.772 140 P CB 0.496 32.104 31.700 -0.154 0.000 0.871 141 L N 4.506 125.647 121.223 -0.137 0.000 2.334 141 L HA 0.239 4.559 4.340 -0.034 0.000 0.286 141 L C 0.451 177.265 176.870 -0.094 0.000 1.108 141 L CA 0.113 54.885 54.840 -0.114 0.000 0.875 141 L CB -0.583 41.406 42.059 -0.117 0.000 1.246 141 L HN 0.255 nan 8.230 nan 0.000 0.439 142 K N 3.931 124.277 120.400 -0.090 0.000 2.540 142 K HA 0.430 4.730 4.320 -0.034 0.000 0.218 142 K C -0.909 175.669 176.600 -0.036 0.000 1.017 142 K CA -0.536 55.709 56.287 -0.070 0.000 1.029 142 K CB 0.771 33.198 32.500 -0.123 0.000 1.348 142 K HN 0.322 nan 8.250 nan 0.000 0.508 143 E N 2.913 123.104 120.200 -0.015 0.000 2.250 143 E HA 0.359 4.689 4.350 -0.034 0.000 0.269 143 E C -2.163 174.434 176.600 -0.006 0.000 1.018 143 E CA -2.081 54.304 56.400 -0.024 0.000 0.873 143 E CB 0.967 30.641 29.700 -0.043 0.000 1.134 143 E HN 0.575 nan 8.360 nan 0.000 0.403 144 P HA 0.124 nan 4.420 nan 0.000 0.269 144 P C -0.049 177.253 177.300 0.003 0.000 1.209 144 P CA -0.072 63.026 63.100 -0.003 0.000 0.776 144 P CB 0.476 32.171 31.700 -0.008 0.000 0.876 145 L N 2.291 123.523 121.223 0.015 0.000 2.490 145 L HA 0.110 4.429 4.340 -0.034 0.000 0.274 145 L C 0.803 177.688 176.870 0.026 0.000 1.201 145 L CA 0.067 54.923 54.840 0.027 0.000 0.869 145 L CB -0.262 41.819 42.059 0.036 0.000 1.123 145 L HN 0.245 nan 8.230 nan 0.000 0.484 146 L N 2.640 123.885 121.223 0.037 0.000 2.335 146 L HA 0.442 4.762 4.340 -0.034 0.000 0.268 146 L C 0.719 177.627 176.870 0.062 0.000 1.016 146 L CA -0.700 54.164 54.840 0.040 0.000 0.805 146 L CB 1.108 43.186 42.059 0.032 0.000 1.311 146 L HN 0.734 nan 8.230 nan 0.000 0.456 147 E N -0.071 120.165 120.200 0.059 0.000 3.401 147 E HA -0.343 3.987 4.350 -0.034 0.000 0.352 147 E C 0.350 176.989 176.600 0.064 0.000 1.523 147 E CA 1.748 58.188 56.400 0.067 0.000 1.794 147 E CB -0.541 29.215 29.700 0.094 0.000 1.792 147 E HN 0.572 nan 8.360 nan 0.000 0.471 148 K N 1.277 121.725 120.400 0.079 0.000 2.410 148 K HA 0.184 4.483 4.320 -0.034 0.000 0.200 148 K C -0.146 176.507 176.600 0.088 0.000 1.023 148 K CA -0.189 56.145 56.287 0.078 0.000 1.149 148 K CB 0.016 32.570 32.500 0.090 0.000 0.859 148 K HN 0.202 nan 8.250 nan 0.000 0.514 149 N N 2.606 121.360 118.700 0.091 0.000 2.483 149 N HA 0.034 4.754 4.740 -0.034 0.000 0.264 149 N C -0.513 175.052 175.510 0.091 0.000 1.197 149 N CA 0.766 53.879 53.050 0.104 0.000 0.927 149 N CB 0.808 39.355 38.487 0.100 0.000 1.065 149 N HN 0.060 nan 8.380 nan 0.000 0.461 150 K N 2.174 122.648 120.400 0.124 0.000 2.267 150 K HA 0.476 4.775 4.320 -0.034 0.000 0.246 150 K C -2.458 174.137 176.600 -0.009 0.000 0.954 150 K CA -1.692 54.616 56.287 0.035 0.000 0.824 150 K CB 1.856 34.362 32.500 0.011 0.000 1.167 150 K HN 0.322 nan 8.250 nan 0.000 0.431 151 P HA 0.104 nan 4.420 nan 0.000 0.281 151 P C -1.419 175.683 177.300 -0.330 0.000 1.252 151 P CA 0.016 63.050 63.100 -0.110 0.000 0.778 151 P CB 0.346 31.995 31.700 -0.086 0.000 0.895 152 Y N 0.998 121.307 120.300 0.015 0.000 2.485 152 Y HA 0.370 4.900 4.550 -0.034 0.000 0.345 152 Y C 1.004 176.913 175.900 0.016 0.000 0.998 152 Y CA -0.749 57.360 58.100 0.015 0.000 1.059 152 Y CB 2.296 40.765 38.460 0.016 0.000 1.234 152 Y HN 0.140 nan 8.280 nan 0.000 0.461 153 K N 2.102 122.597 120.400 0.159 0.000 2.205 153 K HA 0.216 4.516 4.320 -0.034 0.000 0.279 153 K C -0.588 176.082 176.600 0.118 0.000 1.027 153 K CA -0.839 55.513 56.287 0.108 0.000 0.932 153 K CB 0.655 33.199 32.500 0.072 0.000 1.032 153 K HN 0.470 nan 8.250 nan 0.000 0.466 154 Q N 3.255 123.105 119.800 0.084 0.000 2.664 154 Q HA 0.015 4.335 4.340 -0.034 0.000 0.223 154 Q C -0.057 175.981 176.000 0.062 0.000 1.298 154 Q CA 0.100 55.945 55.803 0.070 0.000 0.965 154 Q CB -0.211 28.559 28.738 0.053 0.000 1.510 154 Q HN 0.577 nan 8.270 nan 0.000 0.567 155 N N -1.515 117.224 118.700 0.065 0.000 2.194 155 N HA -0.065 4.655 4.740 -0.034 0.000 0.231 155 N C 0.705 176.246 175.510 0.051 0.000 1.247 155 N CA 0.164 53.246 53.050 0.054 0.000 0.884 155 N CB 0.108 38.626 38.487 0.051 0.000 1.146 155 N HN 0.115 nan 8.380 nan 0.000 0.516 156 S N -0.761 114.970 115.700 0.053 0.000 2.461 156 S HA 0.236 4.686 4.470 -0.034 0.000 0.228 156 S C 1.656 176.284 174.600 0.046 0.000 1.005 156 S CA 0.719 58.946 58.200 0.046 0.000 0.942 156 S CB -0.703 62.522 63.200 0.042 0.000 0.776 156 S HN 0.634 nan 8.310 nan 0.000 0.514 157 G N 0.906 109.738 108.800 0.054 0.000 2.159 157 G HA2 -0.204 3.735 3.960 -0.034 0.000 0.256 157 G HA3 -0.204 3.735 3.960 -0.034 0.000 0.256 157 G C -0.039 174.904 174.900 0.071 0.000 0.977 157 G CA 0.333 45.470 45.100 0.061 0.000 0.652 157 G HN 0.501 nan 8.290 nan 0.000 0.531 158 K N 0.192 120.632 120.400 0.067 0.000 2.118 158 K HA 0.647 4.947 4.320 -0.034 0.000 0.254 158 K C 0.651 177.301 176.600 0.083 0.000 0.961 158 K CA -0.835 55.493 56.287 0.069 0.000 0.876 158 K CB 1.987 34.520 32.500 0.054 0.000 1.077 158 K HN 0.090 nan 8.250 nan 0.000 0.440 159 V N 1.870 121.827 119.914 0.072 0.000 2.655 159 V HA 0.077 4.176 4.120 -0.034 0.000 0.300 159 V C 0.086 176.246 176.094 0.110 0.000 1.044 159 V CA -0.308 62.035 62.300 0.071 0.000 1.095 159 V CB 0.967 32.738 31.823 -0.087 0.000 0.952 159 V HN 0.348 nan 8.190 nan 0.000 0.485 160 V N 4.593 124.590 119.914 0.139 0.000 2.419 160 V HA 0.731 4.830 4.120 -0.034 0.000 0.287 160 V C 0.448 176.626 176.094 0.140 0.000 1.017 160 V CA -0.150 62.217 62.300 0.112 0.000 0.844 160 V CB 1.313 33.169 31.823 0.056 0.000 1.011 160 V HN 1.003 nan 8.190 nan 0.000 0.429 161 G N 2.114 111.013 108.800 0.164 0.000 2.537 161 G HA2 0.764 4.703 3.960 -0.034 0.000 0.308 161 G HA3 0.764 4.703 3.960 -0.034 0.000 0.308 161 G C -1.081 173.890 174.900 0.117 0.000 1.237 161 G CA -0.649 44.527 45.100 0.127 0.000 0.968 161 G HN 0.651 nan 8.290 nan 0.000 0.481 162 S N -1.235 114.486 115.700 0.034 0.000 2.547 162 S HA 0.583 5.032 4.470 -0.034 0.000 0.270 162 S C -1.841 172.734 174.600 -0.040 0.000 1.150 162 S CA -0.576 57.668 58.200 0.074 0.000 0.850 162 S CB 0.997 64.221 63.200 0.039 0.000 1.118 162 S HN 0.420 nan 8.310 nan 0.000 0.461 163 Y N 2.081 122.361 120.300 -0.033 0.000 2.308 163 Y HA 0.548 5.078 4.550 -0.033 0.000 0.329 163 Y C -0.225 175.495 175.900 -0.299 0.000 1.111 163 Y CA -0.298 57.711 58.100 -0.152 0.000 1.179 163 Y CB 0.957 39.279 38.460 -0.230 0.000 1.201 163 Y HN 0.594 nan 8.280 nan 0.000 0.483 164 F N 4.660 124.451 119.950 -0.265 0.000 2.458 164 F HA 0.618 5.125 4.527 -0.033 0.000 0.336 164 F C -0.740 174.700 175.800 -0.600 0.000 1.114 164 F CA -1.203 56.589 58.000 -0.346 0.000 0.987 164 F CB 0.790 39.721 39.000 -0.115 0.000 1.130 164 F HN 0.237 nan 8.300 nan 0.000 0.458 165 V N 3.599 122.686 119.914 -1.378 0.000 2.472 165 V HA 0.406 4.506 4.120 -0.034 0.000 0.290 165 V C 0.985 176.149 176.094 -1.550 0.000 1.037 165 V CA -0.452 60.861 62.300 -1.644 0.000 0.908 165 V CB 1.591 32.108 31.823 -2.177 0.000 0.985 165 V HN 1.023 nan 8.190 nan 0.000 0.454 166 E N 3.553 123.077 120.200 -1.128 0.000 2.085 166 E HA -0.206 4.124 4.350 -0.034 0.000 0.194 166 E C 1.423 177.859 176.600 -0.273 0.000 0.994 166 E CA 2.425 58.565 56.400 -0.433 0.000 0.801 166 E CB -0.090 29.575 29.700 -0.057 0.000 0.743 166 E HN 1.003 nan 8.360 nan 0.000 0.453 167 W N -0.722 120.474 121.300 -0.173 0.000 3.180 167 W HA 0.381 5.020 4.660 -0.034 0.000 0.254 167 W C 1.471 177.878 176.519 -0.188 0.000 1.318 167 W CA 0.100 57.403 57.345 -0.070 0.000 1.608 167 W CB -0.525 28.948 29.460 0.022 0.000 1.124 167 W HN -0.029 nan 8.180 nan 0.000 0.694 168 G N 1.580 109.979 108.800 -0.668 0.000 2.679 168 G HA2 -0.136 3.804 3.960 -0.034 0.000 0.212 168 G HA3 -0.136 3.804 3.960 -0.034 0.000 0.212 168 G C 1.259 175.954 174.900 -0.341 0.000 1.137 168 G CA 1.221 45.976 45.100 -0.576 0.000 0.787 168 G HN 0.470 nan 8.290 nan 0.000 0.534 169 V N -3.006 116.693 119.914 -0.357 0.000 3.380 169 V HA 0.170 4.270 4.120 -0.034 0.000 0.268 169 V C 1.709 177.644 176.094 -0.265 0.000 1.168 169 V CA 0.242 62.367 62.300 -0.293 0.000 1.156 169 V CB -0.957 30.661 31.823 -0.341 0.000 0.785 169 V HN 0.235 nan 8.190 nan 0.000 0.487 170 Y N 2.228 122.529 120.300 0.002 0.000 2.926 170 Y HA 0.574 5.104 4.550 -0.034 0.000 0.207 170 Y C 2.696 178.592 175.900 -0.007 0.000 0.927 170 Y CA 0.972 59.090 58.100 0.030 0.000 1.055 170 Y CB -1.216 37.276 38.460 0.054 0.000 1.056 170 Y HN 0.076 nan 8.280 nan 0.000 0.462 171 G N 0.079 108.979 108.800 0.167 0.000 2.469 171 G HA2 -0.247 3.693 3.960 -0.034 0.000 0.219 171 G HA3 -0.247 3.693 3.960 -0.034 0.000 0.219 171 G C 1.550 176.401 174.900 -0.082 0.000 1.150 171 G CA 1.064 46.209 45.100 0.076 0.000 0.763 171 G HN 0.315 nan 8.290 nan 0.000 0.561 172 R N -0.448 119.792 120.500 -0.435 0.000 2.235 172 R HA 0.012 4.332 4.340 -0.034 0.000 0.213 172 R C 1.163 177.447 176.300 -0.028 0.000 1.059 172 R CA 0.489 56.315 56.100 -0.458 0.000 0.997 172 R CB -0.185 29.718 30.300 -0.662 0.000 0.884 172 R HN 0.341 nan 8.270 nan 0.000 0.462 173 N N -0.369 118.331 118.700 -0.001 0.000 2.721 173 N HA -0.252 4.468 4.740 -0.034 0.000 0.249 173 N C -1.462 174.083 175.510 0.058 0.000 1.072 173 N CA 0.535 53.610 53.050 0.042 0.000 0.710 173 N CB -1.112 37.425 38.487 0.084 0.000 0.993 173 N HN 0.227 nan 8.380 nan 0.000 0.547 174 F N 0.874 120.755 119.950 -0.115 0.000 2.347 174 F HA 0.438 4.945 4.527 -0.033 0.000 0.366 174 F C 0.704 176.517 175.800 0.023 0.000 1.107 174 F CA -0.105 57.853 58.000 -0.070 0.000 1.058 174 F CB 0.533 39.447 39.000 -0.144 0.000 1.236 174 F HN 0.121 nan 8.300 nan 0.000 0.456 175 T N 1.081 115.536 114.554 -0.165 0.000 2.948 175 T HA 0.328 4.658 4.350 -0.034 0.000 0.285 175 T C 1.030 175.696 174.700 -0.058 0.000 1.019 175 T CA -0.769 61.346 62.100 0.025 0.000 1.013 175 T CB 1.536 70.356 68.868 -0.080 0.000 1.117 175 T HN 0.208 nan 8.240 nan 0.000 0.533 176 V N 1.763 121.587 119.914 -0.151 0.000 2.594 176 V HA -0.147 3.952 4.120 -0.034 0.000 0.253 176 V C 2.519 178.465 176.094 -0.246 0.000 1.069 176 V CA 2.179 64.260 62.300 -0.364 0.000 1.082 176 V CB -0.958 30.607 31.823 -0.430 0.000 0.680 176 V HN 1.035 nan 8.190 nan 0.000 0.469 177 D N 0.111 120.387 120.400 -0.208 0.000 2.350 177 D HA -0.200 4.420 4.640 -0.034 0.000 0.216 177 D C 1.643 177.825 176.300 -0.197 0.000 0.968 177 D CA 0.777 54.674 54.000 -0.172 0.000 0.894 177 D CB -0.136 40.579 40.800 -0.142 0.000 0.909 177 D HN 0.418 nan 8.370 nan 0.000 0.520 178 K N 0.144 120.345 120.400 -0.332 0.000 2.426 178 K HA 0.201 4.500 4.320 -0.034 0.000 0.193 178 K C 0.875 177.334 176.600 -0.236 0.000 1.028 178 K CA -0.166 55.858 56.287 -0.438 0.000 1.047 178 K CB 0.690 32.585 32.500 -1.008 0.000 0.821 178 K HN 0.183 nan 8.250 nan 0.000 0.513 179 I N 3.895 124.408 120.570 -0.096 0.000 2.648 179 I HA -0.001 4.149 4.170 -0.034 0.000 0.284 179 I C -1.840 174.305 176.117 0.047 0.000 1.153 179 I CA -1.751 59.617 61.300 0.114 0.000 1.426 179 I CB 0.571 38.590 38.000 0.031 0.000 1.381 179 I HN -0.128 nan 8.210 nan 0.000 0.571 180 P HA 0.132 nan 4.420 nan 0.000 0.225 180 P C 0.288 177.577 177.300 -0.018 0.000 1.813 180 P CA -0.112 63.015 63.100 0.045 0.000 1.013 180 P CB 0.533 32.281 31.700 0.081 0.000 1.961 181 A N 2.764 125.529 122.820 -0.092 0.000 2.014 181 A HA -0.186 4.114 4.320 -0.034 0.000 0.218 181 A C 2.183 179.515 177.584 -0.420 0.000 1.163 181 A CA 1.051 52.938 52.037 -0.250 0.000 0.652 181 A CB -0.711 18.094 19.000 -0.325 0.000 0.808 181 A HN 0.481 nan 8.150 nan 0.000 0.449 182 Q N -0.611 118.995 119.800 -0.324 0.000 2.364 182 Q HA -0.119 4.201 4.340 -0.034 0.000 0.209 182 Q C 0.251 176.217 176.000 -0.057 0.000 0.977 182 Q CA 1.384 57.072 55.803 -0.191 0.000 0.885 182 Q CB -0.398 28.359 28.738 0.032 0.000 0.941 182 Q HN 0.466 nan 8.270 nan 0.000 0.464 183 N N 0.423 119.112 118.700 -0.019 0.000 2.276 183 N HA 0.291 5.011 4.740 -0.034 0.000 0.212 183 N C -0.752 174.763 175.510 0.008 0.000 1.127 183 N CA 0.224 53.300 53.050 0.044 0.000 0.834 183 N CB 0.463 39.004 38.487 0.090 0.000 1.014 183 N HN 0.227 nan 8.380 nan 0.000 0.491 184 L N -0.846 120.360 121.223 -0.028 0.000 2.354 184 L HA 0.382 4.702 4.340 -0.034 0.000 0.264 184 L C 1.426 178.291 176.870 -0.009 0.000 1.008 184 L CA -0.505 54.330 54.840 -0.007 0.000 0.819 184 L CB 2.115 44.161 42.059 -0.022 0.000 1.339 184 L HN -0.049 nan 8.230 nan 0.000 0.420 185 T N -3.764 110.820 114.554 0.049 0.000 3.040 185 T HA 0.137 4.467 4.350 -0.034 0.000 0.252 185 T C 0.326 174.954 174.700 -0.120 0.000 1.064 185 T CA 0.499 62.608 62.100 0.016 0.000 1.110 185 T CB -0.044 68.913 68.868 0.147 0.000 0.921 185 T HN 0.521 nan 8.240 nan 0.000 0.480 186 H N -0.060 119.011 119.070 0.002 0.000 2.782 186 H HA 0.678 5.214 4.556 -0.034 0.000 0.347 186 H C -1.690 173.610 175.328 -0.047 0.000 1.038 186 H CA -0.861 55.188 56.048 0.002 0.000 1.255 186 H CB 1.834 31.613 29.762 0.028 0.000 1.623 186 H HN 0.135 nan 8.280 nan 0.000 0.525 187 L N 4.418 125.669 121.223 0.045 0.000 2.343 187 L HA 0.500 4.820 4.340 -0.034 0.000 0.278 187 L C -1.743 175.132 176.870 0.008 0.000 0.996 187 L CA -0.438 54.403 54.840 0.002 0.000 0.831 187 L CB 0.626 42.684 42.059 -0.003 0.000 1.232 187 L HN 0.514 nan 8.230 nan 0.000 0.413 188 L N 5.253 126.386 121.223 -0.150 0.000 2.325 188 L HA 0.438 4.758 4.340 -0.034 0.000 0.278 188 L C -1.138 175.746 176.870 0.024 0.000 1.023 188 L CA -0.388 54.330 54.840 -0.203 0.000 0.811 188 L CB 1.501 43.015 42.059 -0.909 0.000 1.249 188 L HN 0.537 nan 8.230 nan 0.000 0.431 189 Y N 1.744 122.097 120.300 0.088 0.000 2.417 189 Y HA 0.657 5.187 4.550 -0.033 0.000 0.336 189 Y C 0.363 176.334 175.900 0.118 0.000 0.961 189 Y CA -0.811 57.404 58.100 0.192 0.000 1.215 189 Y CB 1.261 39.950 38.460 0.380 0.000 1.120 189 Y HN 0.565 nan 8.280 nan 0.000 0.499 190 G N 5.712 114.260 108.800 -0.421 0.000 2.322 190 G HA2 0.531 4.471 3.960 -0.034 0.000 0.309 190 G HA3 0.531 4.471 3.960 -0.034 0.000 0.309 190 G C -1.697 172.854 174.900 -0.582 0.000 1.121 190 G CA -0.256 44.304 45.100 -0.901 0.000 0.886 190 G HN 0.470 nan 8.290 nan 0.000 0.447 191 F N 1.248 121.356 119.950 0.265 0.000 2.601 191 F HA 0.433 4.939 4.527 -0.034 0.000 0.309 191 F C -0.171 175.832 175.800 0.339 0.000 1.089 191 F CA -1.236 56.971 58.000 0.345 0.000 0.940 191 F CB 2.031 41.264 39.000 0.388 0.000 1.273 191 F HN 0.160 nan 8.300 nan 0.000 0.450 192 I N 4.890 125.740 120.570 0.466 0.000 2.352 192 I HA 0.235 4.385 4.170 -0.034 0.000 0.290 192 I C -2.184 174.005 176.117 0.119 0.000 1.036 192 I CA -2.599 58.839 61.300 0.230 0.000 1.336 192 I CB 0.403 38.385 38.000 -0.030 0.000 1.407 192 I HN 0.235 nan 8.210 nan 0.000 0.497 193 P HA 0.421 nan 4.420 nan 0.000 0.281 193 P C -0.640 176.561 177.300 -0.165 0.000 1.264 193 P CA -0.521 62.510 63.100 -0.115 0.000 0.824 193 P CB 1.754 33.303 31.700 -0.252 0.000 1.092 194 I N 1.052 121.475 120.570 -0.246 0.000 2.354 194 I HA 0.204 4.354 4.170 -0.034 0.000 0.292 194 I C 0.545 176.468 176.117 -0.322 0.000 0.989 194 I CA -0.804 60.342 61.300 -0.258 0.000 1.188 194 I CB 1.018 38.779 38.000 -0.398 0.000 1.342 194 I HN 0.263 nan 8.210 nan 0.000 0.457 195 c N 4.984 123.421 118.600 -0.272 0.000 2.634 195 c HA 0.548 5.098 4.570 -0.034 0.000 0.417 195 c C 0.892 174.714 174.090 -0.448 0.000 1.334 195 c CA 0.164 56.315 56.329 -0.296 0.000 1.829 195 c CB -0.978 41.419 42.510 -0.188 0.000 2.665 195 c HN 1.021 nan 8.230 nan 0.000 0.614 196 G N 2.068 110.626 108.800 -0.404 0.000 2.378 196 G HA2 0.514 4.454 3.960 -0.034 0.000 0.302 196 G HA3 0.514 4.454 3.960 -0.034 0.000 0.302 196 G C -0.408 174.311 174.900 -0.301 0.000 1.669 196 G CA 0.018 44.860 45.100 -0.429 0.000 0.920 196 G HN 1.035 nan 8.290 nan 0.000 0.697 197 G N 0.159 108.852 108.800 -0.178 0.000 3.365 197 G HA2 0.463 4.402 3.960 -0.034 0.000 0.185 197 G HA3 0.463 4.402 3.960 -0.034 0.000 0.185 197 G C 0.091 175.145 174.900 0.256 0.000 1.565 197 G CA -0.509 44.610 45.100 0.032 0.000 0.984 197 G HN 0.690 nan 8.290 nan 0.000 0.604 198 N N 0.780 119.629 118.700 0.249 0.000 2.412 198 N HA 0.307 5.026 4.740 -0.034 0.000 0.254 198 N C 1.221 176.743 175.510 0.020 0.000 1.232 198 N CA 1.297 54.408 53.050 0.102 0.000 0.880 198 N CB 0.934 39.442 38.487 0.036 0.000 1.076 198 N HN 1.036 nan 8.380 nan 0.000 0.458 199 G N 1.265 110.068 108.800 0.005 0.000 2.205 199 G HA2 -0.282 3.657 3.960 -0.034 0.000 0.261 199 G HA3 -0.282 3.657 3.960 -0.034 0.000 0.261 199 G C 0.812 175.716 174.900 0.007 0.000 0.980 199 G CA 0.504 45.619 45.100 0.025 0.000 0.632 199 G HN 0.569 nan 8.290 nan 0.000 0.533 200 I N -0.726 119.797 120.570 -0.078 0.000 3.565 200 I HA 0.221 4.371 4.170 -0.034 0.000 0.287 200 I C 1.104 177.183 176.117 -0.064 0.000 1.193 200 I CA 0.303 61.474 61.300 -0.215 0.000 1.402 200 I CB 0.218 37.940 38.000 -0.463 0.000 1.284 200 I HN 0.039 nan 8.210 nan 0.000 0.454 201 N N 0.901 119.623 118.700 0.036 0.000 2.553 201 N HA 0.082 4.802 4.740 -0.034 0.000 0.298 201 N C -0.063 175.550 175.510 0.172 0.000 1.596 201 N CA 0.079 53.177 53.050 0.080 0.000 0.910 201 N CB 0.596 39.093 38.487 0.016 0.000 1.336 201 N HN 0.103 nan 8.380 nan 0.000 0.497 202 D N 0.136 120.566 120.400 0.050 0.000 2.218 202 D HA -0.063 4.557 4.640 -0.034 0.000 0.204 202 D C 1.459 177.719 176.300 -0.066 0.000 0.976 202 D CA 1.076 55.026 54.000 -0.083 0.000 0.853 202 D CB 0.191 40.934 40.800 -0.094 0.000 0.939 202 D HN 0.089 nan 8.370 nan 0.000 0.481 203 S N 0.229 115.904 115.700 -0.042 0.000 2.440 203 S HA -0.066 4.384 4.470 -0.034 0.000 0.238 203 S C 2.000 176.597 174.600 -0.006 0.000 1.010 203 S CA 0.291 58.456 58.200 -0.059 0.000 0.972 203 S CB -0.069 63.052 63.200 -0.131 0.000 0.774 203 S HN 0.320 nan 8.310 nan 0.000 0.501 204 L N 0.734 121.994 121.223 0.063 0.000 2.291 204 L HA -0.006 4.313 4.340 -0.034 0.000 0.214 204 L C 2.007 178.952 176.870 0.125 0.000 1.120 204 L CA 0.896 55.812 54.840 0.127 0.000 0.799 204 L CB -0.280 41.917 42.059 0.231 0.000 0.925 204 L HN 0.240 nan 8.230 nan 0.000 0.446 205 K N -0.216 120.205 120.400 0.035 0.000 2.442 205 K HA -0.133 4.167 4.320 -0.034 0.000 0.198 205 K C 1.643 178.233 176.600 -0.016 0.000 1.044 205 K CA 0.599 56.858 56.287 -0.046 0.000 0.948 205 K CB 0.074 32.431 32.500 -0.238 0.000 0.762 205 K HN 0.250 nan 8.250 nan 0.000 0.472 206 E N 0.458 120.661 120.200 0.005 0.000 2.274 206 E HA -0.055 4.275 4.350 -0.034 0.000 0.194 206 E C 0.533 177.150 176.600 0.029 0.000 0.996 206 E CA 0.602 57.015 56.400 0.021 0.000 0.840 206 E CB 0.178 29.903 29.700 0.042 0.000 0.772 206 E HN 0.207 nan 8.360 nan 0.000 0.491 207 I N 2.241 122.832 120.570 0.035 0.000 2.315 207 I HA 0.087 4.237 4.170 -0.034 0.000 0.291 207 I C 0.763 176.896 176.117 0.026 0.000 1.006 207 I CA -0.695 60.615 61.300 0.018 0.000 1.265 207 I CB 0.565 38.564 38.000 -0.001 0.000 1.387 207 I HN -0.016 nan 8.210 nan 0.000 0.475 208 E N 5.035 125.242 120.200 0.012 0.000 2.585 208 E HA 0.067 4.396 4.350 -0.034 0.000 0.252 208 E C 1.263 177.873 176.600 0.017 0.000 0.981 208 E CA 0.924 57.333 56.400 0.014 0.000 0.943 208 E CB 0.296 29.998 29.700 0.002 0.000 0.923 208 E HN 0.925 nan 8.360 nan 0.000 0.486 209 G N 3.299 112.123 108.800 0.041 0.000 2.220 209 G HA2 -0.407 3.533 3.960 -0.034 0.000 0.269 209 G HA3 -0.407 3.533 3.960 -0.034 0.000 0.269 209 G C 1.005 175.953 174.900 0.080 0.000 0.977 209 G CA 0.795 45.925 45.100 0.050 0.000 0.634 209 G HN 0.605 nan 8.290 nan 0.000 0.539 210 S N -0.860 114.902 115.700 0.103 0.000 2.355 210 S HA 0.058 4.508 4.470 -0.034 0.000 0.222 210 S C 1.975 176.732 174.600 0.261 0.000 1.031 210 S CA 1.720 60.018 58.200 0.163 0.000 0.993 210 S CB -0.284 63.005 63.200 0.149 0.000 0.859 210 S HN 0.838 nan 8.310 nan 0.000 0.453 211 F N 2.111 122.106 119.950 0.074 0.000 2.134 211 F HA -0.120 4.387 4.527 -0.034 0.000 0.299 211 F C 2.241 178.061 175.800 0.033 0.000 1.097 211 F CA 1.941 59.960 58.000 0.032 0.000 1.264 211 F CB -0.508 38.490 39.000 -0.002 0.000 1.001 211 F HN 0.249 nan 8.300 nan 0.000 0.479 212 Q N 0.527 120.417 119.800 0.149 0.000 2.084 212 Q HA -0.098 4.222 4.340 -0.034 0.000 0.202 212 Q C 2.459 178.452 176.000 -0.010 0.000 0.978 212 Q CA 1.759 57.593 55.803 0.053 0.000 0.844 212 Q CB -0.781 28.021 28.738 0.107 0.000 0.898 212 Q HN 0.509 nan 8.270 nan 0.000 0.426 213 A N 0.564 123.413 122.820 0.048 0.000 1.865 213 A HA -0.190 4.110 4.320 -0.034 0.000 0.217 213 A C 2.044 179.675 177.584 0.077 0.000 1.191 213 A CA 1.484 53.569 52.037 0.080 0.000 0.623 213 A CB -0.842 18.227 19.000 0.115 0.000 0.826 213 A HN 0.373 nan 8.150 nan 0.000 0.444 214 L N -0.398 120.852 121.223 0.045 0.000 2.083 214 L HA -0.196 4.124 4.340 -0.034 0.000 0.209 214 L C 2.411 179.170 176.870 -0.184 0.000 1.083 214 L CA 2.106 56.883 54.840 -0.105 0.000 0.752 214 L CB -0.543 41.329 42.059 -0.312 0.000 0.899 214 L HN 0.391 nan 8.230 nan 0.000 0.433 215 Q N -0.559 119.072 119.800 -0.282 0.000 2.167 215 Q HA -0.219 4.101 4.340 -0.034 0.000 0.202 215 Q C 2.361 178.304 176.000 -0.096 0.000 0.970 215 Q CA 1.559 57.217 55.803 -0.241 0.000 0.855 215 Q CB -0.494 28.073 28.738 -0.286 0.000 0.911 215 Q HN 0.561 nan 8.270 nan 0.000 0.438 216 R N 0.369 120.842 120.500 -0.044 0.000 2.075 216 R HA -0.071 4.248 4.340 -0.034 0.000 0.232 216 R C 2.475 178.802 176.300 0.044 0.000 1.126 216 R CA 1.435 57.541 56.100 0.010 0.000 0.963 216 R CB -0.224 30.094 30.300 0.029 0.000 0.858 216 R HN 0.163 nan 8.270 nan 0.000 0.435 217 S N -0.553 115.183 115.700 0.060 0.000 2.370 217 S HA -0.145 4.305 4.470 -0.034 0.000 0.226 217 S C 1.518 176.184 174.600 0.110 0.000 1.033 217 S CA 1.386 59.655 58.200 0.115 0.000 1.011 217 S CB -0.226 63.044 63.200 0.117 0.000 0.852 217 S HN 0.616 nan 8.310 nan 0.000 0.457 218 c N 2.078 120.696 118.600 0.031 0.000 2.578 218 c HA 0.335 4.885 4.570 -0.034 0.000 0.285 218 c C 0.891 174.990 174.090 0.014 0.000 1.297 218 c CA -0.690 55.648 56.329 0.015 0.000 1.690 218 c CB -2.094 40.371 42.510 -0.076 0.000 1.773 218 c HN 0.660 nan 8.230 nan 0.000 0.594 219 Q N 0.675 120.491 119.800 0.027 0.000 2.274 219 Q HA 0.349 4.669 4.340 -0.034 0.000 0.280 219 Q C 1.270 177.291 176.000 0.035 0.000 1.047 219 Q CA 1.263 57.078 55.803 0.020 0.000 0.907 219 Q CB 0.203 28.957 28.738 0.026 0.000 1.171 219 Q HN 0.632 nan 8.270 nan 0.000 0.381 220 G N 3.562 112.375 108.800 0.023 0.000 2.162 220 G HA2 -0.343 3.597 3.960 -0.034 0.000 0.260 220 G HA3 -0.343 3.597 3.960 -0.034 0.000 0.260 220 G C 0.010 174.932 174.900 0.037 0.000 0.976 220 G CA 0.521 45.637 45.100 0.028 0.000 0.655 220 G HN 0.643 nan 8.290 nan 0.000 0.533 221 R N 0.660 121.182 120.500 0.038 0.000 2.514 221 R HA 0.504 4.824 4.340 -0.034 0.000 0.301 221 R C 0.222 176.536 176.300 0.023 0.000 0.962 221 R CA -0.723 55.409 56.100 0.053 0.000 0.882 221 R CB 0.833 31.188 30.300 0.092 0.000 1.143 221 R HN 0.359 nan 8.270 nan 0.000 0.452 222 E N 2.066 122.288 120.200 0.036 0.000 2.415 222 E HA -0.034 4.295 4.350 -0.034 0.000 0.262 222 E C -0.556 176.039 176.600 -0.009 0.000 1.038 222 E CA 0.088 56.505 56.400 0.028 0.000 0.921 222 E CB 0.599 30.335 29.700 0.060 0.000 0.950 222 E HN 0.482 nan 8.360 nan 0.000 0.438 223 D N 0.964 121.339 120.400 -0.043 0.000 2.357 223 D HA 0.021 4.641 4.640 -0.034 0.000 0.242 223 D C 0.386 176.654 176.300 -0.054 0.000 1.153 223 D CA 0.153 54.024 54.000 -0.215 0.000 0.918 223 D CB 0.307 40.888 40.800 -0.365 0.000 1.181 223 D HN 0.450 nan 8.370 nan 0.000 0.435 224 F N -2.053 117.846 119.950 -0.085 0.000 2.656 224 F HA -0.266 4.240 4.527 -0.034 0.000 0.381 224 F C 0.761 176.597 175.800 0.060 0.000 0.603 224 F CA 0.703 58.670 58.000 -0.055 0.000 1.335 224 F CB -1.446 37.522 39.000 -0.052 0.000 1.836 224 F HN 0.181 nan 8.300 nan 0.000 0.290 225 K N 1.155 121.619 120.400 0.107 0.000 2.118 225 K HA 0.632 4.932 4.320 -0.034 0.000 0.267 225 K C 0.405 177.034 176.600 0.049 0.000 0.991 225 K CA -0.381 55.972 56.287 0.110 0.000 0.916 225 K CB 1.988 34.544 32.500 0.094 0.000 1.041 225 K HN 0.047 nan 8.250 nan 0.000 0.455 226 V N -0.994 118.941 119.914 0.036 0.000 3.185 226 V HA 0.402 4.502 4.120 -0.034 0.000 0.305 226 V C 0.283 176.307 176.094 -0.117 0.000 1.090 226 V CA -0.241 62.019 62.300 -0.068 0.000 1.107 226 V CB 1.449 33.147 31.823 -0.208 0.000 1.061 226 V HN 0.802 nan 8.190 nan 0.000 0.480 227 S N 1.283 116.848 115.700 -0.225 0.000 2.973 227 S HA 0.715 5.164 4.470 -0.034 0.000 0.317 227 S C -1.068 173.340 174.600 -0.321 0.000 1.196 227 S CA -0.868 57.060 58.200 -0.454 0.000 0.894 227 S CB 1.347 64.407 63.200 -0.234 0.000 1.292 227 S HN 0.765 nan 8.310 nan 0.000 0.614 228 I N 1.619 122.039 120.570 -0.250 0.000 2.433 228 I HA 0.378 4.528 4.170 -0.034 0.000 0.292 228 I C 1.026 177.243 176.117 0.167 0.000 1.001 228 I CA -0.434 60.901 61.300 0.059 0.000 1.119 228 I CB 1.860 39.921 38.000 0.102 0.000 1.289 228 I HN 0.870 nan 8.210 nan 0.000 0.438 229 H N 3.493 122.640 119.070 0.128 0.000 2.333 229 H HA -0.042 4.493 4.556 -0.034 0.000 0.302 229 H C 0.178 175.596 175.328 0.151 0.000 1.075 229 H CA 0.766 56.890 56.048 0.128 0.000 1.348 229 H CB 0.628 30.496 29.762 0.177 0.000 1.393 229 H HN 0.519 nan 8.280 nan 0.000 0.509 230 D N -0.640 119.924 120.400 0.273 0.000 2.408 230 D HA 0.135 4.755 4.640 -0.034 0.000 0.261 230 D C -2.110 174.312 176.300 0.203 0.000 1.190 230 D CA -2.407 51.724 54.000 0.218 0.000 0.910 230 D CB 1.361 42.300 40.800 0.232 0.000 1.097 230 D HN 0.111 nan 8.370 nan 0.000 0.522 231 P HA -0.058 nan 4.420 nan 0.000 0.220 231 P C 1.283 178.673 177.300 0.150 0.000 1.148 231 P CA 0.442 63.634 63.100 0.153 0.000 0.803 231 P CB 0.080 31.907 31.700 0.211 0.000 0.782 232 F N 1.081 121.092 119.950 0.102 0.000 2.084 232 F HA -0.129 4.378 4.527 -0.034 0.000 0.296 232 F C 2.224 178.077 175.800 0.088 0.000 1.111 232 F CA 1.685 59.749 58.000 0.107 0.000 1.224 232 F CB -0.940 38.145 39.000 0.143 0.000 0.991 232 F HN -0.129 nan 8.300 nan 0.000 0.471 233 A N 0.351 123.223 122.820 0.086 0.000 1.902 233 A HA -0.029 4.271 4.320 -0.034 0.000 0.217 233 A C 2.362 179.875 177.584 -0.119 0.000 1.181 233 A CA 1.782 53.768 52.037 -0.084 0.000 0.623 233 A CB -1.587 17.430 19.000 0.028 0.000 0.818 233 A HN 0.514 nan 8.150 nan 0.000 0.443 234 A N -1.493 121.272 122.820 -0.092 0.000 1.969 234 A HA 0.224 4.524 4.320 -0.034 0.000 0.218 234 A C 1.889 179.221 177.584 -0.421 0.000 1.169 234 A CA 1.553 53.398 52.037 -0.320 0.000 0.635 234 A CB -0.215 18.411 19.000 -0.622 0.000 0.810 234 A HN 0.474 nan 8.150 nan 0.000 0.445 235 L N -2.873 118.190 121.223 -0.267 0.000 3.154 235 L HA 0.119 4.438 4.340 -0.034 0.000 0.280 235 L C 1.724 178.538 176.870 -0.093 0.000 1.134 235 L CA 0.147 54.894 54.840 -0.155 0.000 1.037 235 L CB 0.362 42.385 42.059 -0.061 0.000 1.571 235 L HN 0.181 nan 8.230 nan 0.000 0.576 236 Q N -0.112 119.571 119.800 -0.195 0.000 2.322 236 Q HA 0.142 4.462 4.340 -0.034 0.000 0.250 236 Q C 0.462 176.211 176.000 -0.419 0.000 0.853 236 Q CA 0.006 55.701 55.803 -0.180 0.000 0.951 236 Q CB 1.129 29.879 28.738 0.021 0.000 1.114 236 Q HN 0.184 nan 8.270 nan 0.000 0.523 237 K N 1.752 121.633 120.400 -0.865 0.000 2.448 237 K HA 0.254 4.554 4.320 -0.034 0.000 0.278 237 K C -0.359 176.081 176.600 -0.268 0.000 1.009 237 K CA -0.030 55.801 56.287 -0.760 0.000 0.995 237 K CB 0.625 32.631 32.500 -0.824 0.000 0.917 237 K HN 0.022 nan 8.250 nan 0.000 0.481 238 A N 4.589 127.349 122.820 -0.100 0.000 2.520 238 A HA 0.086 4.386 4.320 -0.034 0.000 0.245 238 A C -0.523 177.025 177.584 -0.059 0.000 1.072 238 A CA 0.141 52.153 52.037 -0.043 0.000 0.761 238 A CB 0.320 19.331 19.000 0.017 0.000 1.004 238 A HN 0.732 nan 8.150 nan 0.000 0.499 239 Q N 0.645 120.406 119.800 -0.065 0.000 2.501 239 Q HA 0.300 4.620 4.340 -0.034 0.000 0.288 239 Q C -0.827 175.132 176.000 -0.067 0.000 1.051 239 Q CA -0.953 54.808 55.803 -0.071 0.000 0.788 239 Q CB 1.588 30.270 28.738 -0.093 0.000 1.469 239 Q HN 0.824 nan 8.270 nan 0.000 0.416 240 K N 0.022 120.379 120.400 -0.071 0.000 2.491 240 K HA 0.134 4.434 4.320 -0.034 0.000 0.279 240 K C 0.838 177.390 176.600 -0.080 0.000 1.026 240 K CA 1.646 57.891 56.287 -0.069 0.000 1.070 240 K CB -0.317 32.138 32.500 -0.075 0.000 0.887 240 K HN 0.807 nan 8.250 nan 0.000 0.481 241 G N 2.026 110.784 108.800 -0.071 0.000 2.241 241 G HA2 -0.277 3.662 3.960 -0.034 0.000 0.244 241 G HA3 -0.277 3.662 3.960 -0.034 0.000 0.244 241 G C 0.026 174.878 174.900 -0.080 0.000 0.998 241 G CA 0.169 45.220 45.100 -0.081 0.000 0.621 241 G HN 1.018 nan 8.290 nan 0.000 0.519 242 V N -1.208 118.664 119.914 -0.071 0.000 2.502 242 V HA 0.730 4.830 4.120 -0.034 0.000 0.261 242 V C 0.802 176.868 176.094 -0.047 0.000 0.996 242 V CA 0.844 63.107 62.300 -0.061 0.000 1.095 242 V CB -0.143 31.645 31.823 -0.058 0.000 1.325 242 V HN 0.880 nan 8.190 nan 0.000 0.574 243 T N -1.950 112.582 114.554 -0.036 0.000 3.001 243 T HA 0.526 4.856 4.350 -0.034 0.000 0.251 243 T C 0.938 175.643 174.700 0.009 0.000 1.040 243 T CA 0.654 62.748 62.100 -0.011 0.000 0.985 243 T CB 0.591 69.457 68.868 -0.004 0.000 1.011 243 T HN 1.151 nan 8.240 nan 0.000 0.509 244 A N 2.355 125.162 122.820 -0.023 0.000 2.386 244 A HA 0.441 4.740 4.320 -0.034 0.000 0.248 244 A C 1.332 178.904 177.584 -0.020 0.000 1.082 244 A CA -0.393 51.630 52.037 -0.023 0.000 0.789 244 A CB -0.084 18.855 19.000 -0.103 0.000 1.025 244 A HN 0.640 nan 8.150 nan 0.000 0.490 245 W N 1.778 123.063 121.300 -0.025 0.000 2.363 245 W HA -0.147 4.493 4.660 -0.034 0.000 0.296 245 W C -0.161 176.335 176.519 -0.038 0.000 1.212 245 W CA 1.542 58.874 57.345 -0.023 0.000 1.260 245 W CB -0.597 28.852 29.460 -0.018 0.000 1.131 245 W HN 0.727 nan 8.180 nan 0.000 0.530 246 D N 0.085 119.836 120.400 -1.082 0.000 2.388 246 D HA 0.006 4.625 4.640 -0.034 0.000 0.221 246 D C -0.495 175.463 176.300 -0.569 0.000 1.133 246 D CA -0.206 53.126 54.000 -1.113 0.000 0.831 246 D CB -0.835 38.948 40.800 -1.696 0.000 0.962 246 D HN -0.187 nan 8.370 nan 0.000 0.502 247 D N 2.437 122.621 120.400 -0.360 0.000 2.382 247 D HA 0.040 4.660 4.640 -0.034 0.000 0.259 247 D C -1.115 175.029 176.300 -0.259 0.000 1.224 247 D CA -1.476 52.379 54.000 -0.243 0.000 0.894 247 D CB 1.599 42.320 40.800 -0.133 0.000 1.127 247 D HN 0.073 nan 8.370 nan 0.000 0.487 248 P HA -0.133 nan 4.420 nan 0.000 0.216 248 P C -0.239 176.821 177.300 -0.401 0.000 1.153 248 P CA 1.087 63.865 63.100 -0.537 0.000 0.848 248 P CB 0.122 31.248 31.700 -0.957 0.000 0.787 249 Y N 0.085 120.426 120.300 0.069 0.000 2.356 249 Y HA 0.427 4.957 4.550 -0.034 0.000 0.334 249 Y C 1.149 177.060 175.900 0.018 0.000 0.958 249 Y CA -0.963 57.192 58.100 0.092 0.000 1.196 249 Y CB 0.922 39.484 38.460 0.169 0.000 1.137 249 Y HN -0.187 nan 8.280 nan 0.000 0.485 250 K N 1.070 121.522 120.400 0.086 0.000 2.096 250 K HA 0.779 5.078 4.320 -0.034 0.000 0.263 250 K C 0.642 177.203 176.600 -0.065 0.000 1.013 250 K CA -0.610 55.669 56.287 -0.013 0.000 1.218 250 K CB 0.411 32.881 32.500 -0.051 0.000 1.961 250 K HN 0.723 nan 8.250 nan 0.000 0.851 251 G N 1.060 109.782 108.800 -0.131 0.000 2.598 251 G HA2 -0.308 3.632 3.960 -0.034 0.000 0.269 251 G HA3 -0.308 3.632 3.960 -0.034 0.000 0.269 251 G C 0.325 175.161 174.900 -0.107 0.000 1.289 251 G CA 0.462 45.463 45.100 -0.164 0.000 0.926 251 G HN 0.588 nan 8.290 nan 0.000 0.567 252 N N -0.615 118.056 118.700 -0.048 0.000 2.142 252 N HA -0.031 4.689 4.740 -0.034 0.000 0.186 252 N C 2.098 177.572 175.510 -0.059 0.000 1.023 252 N CA 1.825 54.889 53.050 0.022 0.000 0.852 252 N CB -0.371 38.313 38.487 0.328 0.000 0.998 252 N HN 0.397 nan 8.380 nan 0.000 0.424 253 F N 1.194 120.914 119.950 -0.384 0.000 2.186 253 F HA 0.078 4.584 4.527 -0.034 0.000 0.299 253 F C 2.539 177.938 175.800 -0.668 0.000 1.090 253 F CA 0.590 58.194 58.000 -0.659 0.000 1.307 253 F CB -1.246 37.417 39.000 -0.561 0.000 1.019 253 F HN 0.051 nan 8.300 nan 0.000 0.489 254 G N -0.780 107.940 108.800 -0.134 0.000 2.418 254 G HA2 -0.225 3.715 3.960 -0.034 0.000 0.217 254 G HA3 -0.225 3.715 3.960 -0.034 0.000 0.217 254 G C 1.569 176.333 174.900 -0.228 0.000 1.158 254 G CA 0.472 45.515 45.100 -0.095 0.000 0.771 254 G HN 0.342 nan 8.290 nan 0.000 0.545 255 Q N -0.341 119.315 119.800 -0.241 0.000 2.167 255 Q HA 0.103 4.423 4.340 -0.034 0.000 0.202 255 Q C 2.662 178.451 176.000 -0.351 0.000 0.970 255 Q CA 0.578 56.228 55.803 -0.255 0.000 0.855 255 Q CB -0.164 28.440 28.738 -0.224 0.000 0.911 255 Q HN 0.446 nan 8.270 nan 0.000 0.438 256 L N -0.101 120.814 121.223 -0.514 0.000 2.093 256 L HA -0.164 4.156 4.340 -0.034 0.000 0.208 256 L C 2.406 178.878 176.870 -0.664 0.000 1.085 256 L CA 0.878 55.346 54.840 -0.620 0.000 0.755 256 L CB -0.296 41.263 42.059 -0.833 0.000 0.904 256 L HN 0.290 nan 8.230 nan 0.000 0.435 257 M N -0.519 118.588 119.600 -0.822 0.000 2.080 257 M HA -0.206 4.253 4.480 -0.034 0.000 0.260 257 M C 2.482 178.614 176.300 -0.280 0.000 1.068 257 M CA 2.056 57.058 55.300 -0.496 0.000 1.109 257 M CB -0.526 31.863 32.600 -0.350 0.000 1.342 257 M HN 0.306 nan 8.290 nan 0.000 0.405 258 A N -0.159 122.498 122.820 -0.273 0.000 2.014 258 A HA -0.089 4.211 4.320 -0.034 0.000 0.218 258 A C 2.068 179.548 177.584 -0.174 0.000 1.163 258 A CA 1.029 52.939 52.037 -0.212 0.000 0.652 258 A CB -0.637 18.242 19.000 -0.201 0.000 0.808 258 A HN 0.410 nan 8.150 nan 0.000 0.449 259 L N -0.451 120.666 121.223 -0.176 0.000 2.093 259 L HA -0.102 4.218 4.340 -0.034 0.000 0.208 259 L C 2.134 178.978 176.870 -0.043 0.000 1.085 259 L CA 1.770 56.557 54.840 -0.087 0.000 0.755 259 L CB -0.307 41.689 42.059 -0.105 0.000 0.904 259 L HN 0.121 nan 8.230 nan 0.000 0.435 260 K N -0.520 119.829 120.400 -0.084 0.000 2.097 260 K HA -0.141 4.159 4.320 -0.034 0.000 0.206 260 K C 2.052 178.614 176.600 -0.063 0.000 1.049 260 K CA 1.015 57.276 56.287 -0.044 0.000 0.933 260 K CB -0.295 32.185 32.500 -0.033 0.000 0.717 260 K HN 0.452 nan 8.250 nan 0.000 0.442 261 Q N -0.172 119.567 119.800 -0.101 0.000 2.119 261 Q HA -0.027 4.292 4.340 -0.034 0.000 0.201 261 Q C 2.012 177.924 176.000 -0.147 0.000 0.972 261 Q CA 1.321 57.057 55.803 -0.111 0.000 0.847 261 Q CB -0.211 28.450 28.738 -0.128 0.000 0.903 261 Q HN 0.289 nan 8.270 nan 0.000 0.433 262 A N 0.412 123.110 122.820 -0.202 0.000 1.970 262 A HA -0.076 4.223 4.320 -0.034 0.000 0.216 262 A C 0.607 177.860 177.584 -0.553 0.000 1.170 262 A CA 0.746 52.557 52.037 -0.377 0.000 0.645 262 A CB -0.029 18.701 19.000 -0.449 0.000 0.816 262 A HN 0.269 nan 8.150 nan 0.000 0.447 263 H N -1.148 117.884 119.070 -0.063 0.000 2.569 263 H HA 0.224 4.760 4.556 -0.034 0.000 0.247 263 H C -2.263 173.034 175.328 -0.052 0.000 1.346 263 H CA -1.623 54.394 56.048 -0.052 0.000 1.502 263 H CB 0.809 30.540 29.762 -0.051 0.000 1.512 263 H HN 0.261 nan 8.280 nan 0.000 0.502 264 P HA -0.073 nan 4.420 nan 0.000 0.223 264 P C 0.793 178.092 177.300 -0.002 0.000 1.151 264 P CA 0.970 64.067 63.100 -0.004 0.000 0.787 264 P CB 0.643 32.330 31.700 -0.022 0.000 0.788 265 D N -1.163 119.245 120.400 0.013 0.000 2.360 265 D HA 0.056 4.676 4.640 -0.034 0.000 0.210 265 D C 0.768 177.050 176.300 -0.031 0.000 1.047 265 D CA -0.155 53.840 54.000 -0.008 0.000 0.854 265 D CB -0.115 40.688 40.800 0.004 0.000 0.936 265 D HN 0.113 nan 8.370 nan 0.000 0.514 266 L N 1.900 123.116 121.223 -0.011 0.000 2.490 266 L HA 0.044 4.364 4.340 -0.034 0.000 0.274 266 L C 0.024 176.839 176.870 -0.093 0.000 1.201 266 L CA 0.100 54.901 54.840 -0.064 0.000 0.869 266 L CB 0.394 42.429 42.059 -0.041 0.000 1.123 266 L HN -0.333 nan 8.230 nan 0.000 0.484 267 K N 7.348 127.633 120.400 -0.192 0.000 2.262 267 K HA 0.386 4.686 4.320 -0.034 0.000 0.282 267 K C -0.679 175.906 176.600 -0.025 0.000 1.066 267 K CA -0.011 56.183 56.287 -0.155 0.000 0.901 267 K CB 0.795 33.083 32.500 -0.352 0.000 1.089 267 K HN 0.597 nan 8.250 nan 0.000 0.476 268 I N 5.099 125.710 120.570 0.068 0.000 2.328 268 I HA 0.270 4.420 4.170 -0.034 0.000 0.287 268 I C -0.191 176.124 176.117 0.331 0.000 1.012 268 I CA -0.627 60.773 61.300 0.168 0.000 1.195 268 I CB 0.705 38.789 38.000 0.140 0.000 1.350 268 I HN 0.237 nan 8.210 nan 0.000 0.464 269 L N 8.556 129.960 121.223 0.302 0.000 2.322 269 L HA 0.514 4.834 4.340 -0.034 0.000 0.281 269 L C -2.324 174.644 176.870 0.164 0.000 1.014 269 L CA -2.021 52.972 54.840 0.254 0.000 0.815 269 L CB 1.984 44.183 42.059 0.233 0.000 1.247 269 L HN 0.297 nan 8.230 nan 0.000 0.421 270 P HA 0.038 nan 4.420 nan 0.000 0.276 270 P C -0.680 176.657 177.300 0.061 0.000 1.235 270 P CA -0.146 62.773 63.100 -0.302 0.000 0.772 270 P CB 1.474 32.628 31.700 -0.911 0.000 0.871 271 S N 3.592 119.455 115.700 0.272 0.000 2.433 271 S HA 0.508 4.958 4.470 -0.034 0.000 0.310 271 S C -0.199 174.724 174.600 0.537 0.000 1.097 271 S CA -0.830 57.645 58.200 0.460 0.000 1.103 271 S CB -0.275 63.340 63.200 0.693 0.000 0.992 271 S HN 0.234 nan 8.310 nan 0.000 0.469 272 I N 5.310 126.143 120.570 0.438 0.000 2.321 272 I HA 0.598 4.747 4.170 -0.034 0.000 0.291 272 I C 1.058 177.416 176.117 0.401 0.000 0.998 272 I CA 0.048 61.575 61.300 0.378 0.000 1.227 272 I CB 0.858 39.080 38.000 0.371 0.000 1.368 272 I HN 0.973 nan 8.210 nan 0.000 0.466 273 G N 4.233 113.145 108.800 0.187 0.000 2.637 273 G HA2 0.318 4.258 3.960 -0.034 0.000 0.211 273 G HA3 0.318 4.258 3.960 -0.034 0.000 0.211 273 G C 0.040 174.570 174.900 -0.616 0.000 1.213 273 G CA 0.031 45.138 45.100 0.012 0.000 1.207 273 G HN 1.448 nan 8.290 nan 0.000 0.559 274 G N -1.878 106.504 108.800 -0.696 0.000 2.685 274 G HA2 0.001 3.941 3.960 -0.034 0.000 0.387 274 G HA3 0.001 3.941 3.960 -0.034 0.000 0.387 274 G C 0.825 175.512 174.900 -0.354 0.000 1.324 274 G CA 0.554 45.040 45.100 -1.023 0.000 0.878 274 G HN 1.875 nan 8.290 nan 0.000 0.527 275 W N 0.163 121.242 121.300 -0.368 0.000 2.358 275 W HA -0.149 4.492 4.660 -0.033 0.000 0.303 275 W C 2.414 178.836 176.519 -0.161 0.000 1.208 275 W CA 3.131 60.332 57.345 -0.239 0.000 1.274 275 W CB -0.312 29.044 29.460 -0.174 0.000 1.138 275 W HN 0.982 nan 8.180 nan 0.000 0.515 276 T N -2.023 112.501 114.554 -0.050 0.000 3.040 276 T HA 0.149 4.478 4.350 -0.034 0.000 0.250 276 T C 1.286 175.925 174.700 -0.102 0.000 1.058 276 T CA 0.119 62.170 62.100 -0.081 0.000 0.988 276 T CB -0.384 68.508 68.868 0.040 0.000 0.993 276 T HN 0.105 nan 8.240 nan 0.000 0.519 277 L N 0.693 121.832 121.223 -0.141 0.000 3.168 277 L HA 0.431 4.751 4.340 -0.034 0.000 0.277 277 L C 1.611 178.370 176.870 -0.183 0.000 1.245 277 L CA -0.177 54.570 54.840 -0.156 0.000 1.035 277 L CB 0.486 42.467 42.059 -0.129 0.000 1.399 277 L HN 0.133 nan 8.230 nan 0.000 0.580 278 S N -0.498 115.127 115.700 -0.126 0.000 2.524 278 S HA -0.039 4.411 4.470 -0.034 0.000 0.216 278 S C 1.177 175.768 174.600 -0.016 0.000 0.987 278 S CA 0.135 58.325 58.200 -0.016 0.000 0.909 278 S CB 0.096 63.338 63.200 0.070 0.000 0.781 278 S HN 0.397 nan 8.310 nan 0.000 0.521 279 D N 2.360 122.784 120.400 0.040 0.000 2.149 279 D HA -0.076 4.544 4.640 -0.034 0.000 0.198 279 D C -0.922 175.540 176.300 0.271 0.000 0.990 279 D CA 1.150 55.305 54.000 0.258 0.000 0.839 279 D CB -1.685 39.217 40.800 0.169 0.000 0.948 279 D HN 0.325 nan 8.370 nan 0.000 0.460 280 P HA -0.106 nan 4.420 nan 0.000 0.218 280 P C 1.280 178.535 177.300 -0.074 0.000 1.148 280 P CA 0.773 63.891 63.100 0.029 0.000 0.822 280 P CB -0.181 31.288 31.700 -0.385 0.000 0.784 281 F N -1.654 117.976 119.950 -0.533 0.000 2.202 281 F HA -0.121 4.386 4.527 -0.034 0.000 0.301 281 F C 1.907 177.090 175.800 -1.029 0.000 1.082 281 F CA 1.137 58.434 58.000 -1.171 0.000 1.313 281 F CB -1.658 35.897 39.000 -2.407 0.000 1.024 281 F HN -0.145 nan 8.300 nan 0.000 0.495 282 F N -1.704 118.061 119.950 -0.308 0.000 2.583 282 F HA -0.125 4.382 4.527 -0.034 0.000 0.297 282 F C 1.544 177.095 175.800 -0.416 0.000 1.131 282 F CA 0.769 58.646 58.000 -0.205 0.000 1.467 282 F CB -1.119 37.738 39.000 -0.238 0.000 1.097 282 F HN -0.087 nan 8.300 nan 0.000 0.586 283 F N -1.596 118.378 119.950 0.039 0.000 2.727 283 F HA 0.163 4.670 4.527 -0.034 0.000 0.302 283 F C 1.763 177.438 175.800 -0.207 0.000 1.097 283 F CA 0.172 58.133 58.000 -0.065 0.000 1.330 283 F CB -0.514 38.433 39.000 -0.088 0.000 1.084 283 F HN -0.098 nan 8.300 nan 0.000 0.578 284 M N -0.219 119.334 119.600 -0.077 0.000 2.628 284 M HA 0.113 4.572 4.480 -0.034 0.000 0.232 284 M C 2.226 178.505 176.300 -0.035 0.000 1.128 284 M CA 0.341 55.572 55.300 -0.115 0.000 1.040 284 M CB -0.386 32.129 32.600 -0.143 0.000 1.608 284 M HN 0.260 nan 8.290 nan 0.000 0.507 285 G N 0.246 109.046 108.800 -0.000 0.000 2.448 285 G HA2 -0.188 3.751 3.960 -0.034 0.000 0.219 285 G HA3 -0.188 3.751 3.960 -0.034 0.000 0.219 285 G C 0.435 175.331 174.900 -0.006 0.000 1.127 285 G CA 0.362 45.473 45.100 0.019 0.000 0.766 285 G HN 0.368 nan 8.290 nan 0.000 0.552 286 D N 0.139 120.518 120.400 -0.035 0.000 2.342 286 D HA 0.089 4.709 4.640 -0.034 0.000 0.260 286 D C 1.449 177.713 176.300 -0.060 0.000 1.278 286 D CA -0.164 53.806 54.000 -0.050 0.000 0.910 286 D CB 0.836 41.588 40.800 -0.080 0.000 1.079 286 D HN 0.209 nan 8.370 nan 0.000 0.496 287 K N 2.756 123.139 120.400 -0.027 0.000 2.209 287 K HA -0.100 4.200 4.320 -0.034 0.000 0.204 287 K C 1.565 178.153 176.600 -0.020 0.000 1.048 287 K CA 0.669 56.948 56.287 -0.014 0.000 0.940 287 K CB 0.222 32.723 32.500 0.001 0.000 0.729 287 K HN 0.323 nan 8.250 nan 0.000 0.451 288 V N 1.663 121.557 119.914 -0.033 0.000 2.255 288 V HA -0.302 3.797 4.120 -0.034 0.000 0.247 288 V C 2.111 178.175 176.094 -0.050 0.000 1.051 288 V CA 2.032 64.314 62.300 -0.031 0.000 1.018 288 V CB -0.390 31.414 31.823 -0.032 0.000 0.641 288 V HN 0.376 nan 8.190 nan 0.000 0.445 289 K N -0.380 119.938 120.400 -0.136 0.000 2.057 289 K HA -0.180 4.119 4.320 -0.034 0.000 0.206 289 K C 2.403 178.956 176.600 -0.078 0.000 1.050 289 K CA 1.449 57.593 56.287 -0.238 0.000 0.935 289 K CB -0.258 31.833 32.500 -0.681 0.000 0.715 289 K HN 0.285 nan 8.250 nan 0.000 0.439 290 R N 1.209 121.681 120.500 -0.047 0.000 2.081 290 R HA -0.158 4.162 4.340 -0.034 0.000 0.235 290 R C 1.486 177.866 176.300 0.132 0.000 1.131 290 R CA 1.912 58.054 56.100 0.070 0.000 0.960 290 R CB -0.021 30.306 30.300 0.045 0.000 0.856 290 R HN 0.130 nan 8.270 nan 0.000 0.436 291 D N -0.387 120.052 120.400 0.066 0.000 2.144 291 D HA -0.160 4.459 4.640 -0.034 0.000 0.200 291 D C 1.835 178.174 176.300 0.064 0.000 0.978 291 D CA 0.900 54.933 54.000 0.055 0.000 0.833 291 D CB -0.190 40.628 40.800 0.029 0.000 0.961 291 D HN 0.240 nan 8.370 nan 0.000 0.470 292 R N -0.393 120.155 120.500 0.080 0.000 2.081 292 R HA -0.148 4.172 4.340 -0.034 0.000 0.235 292 R C 2.230 178.610 176.300 0.134 0.000 1.131 292 R CA 0.821 56.979 56.100 0.097 0.000 0.960 292 R CB -0.419 29.950 30.300 0.115 0.000 0.856 292 R HN 0.146 nan 8.270 nan 0.000 0.436 293 F N 0.951 120.925 119.950 0.040 0.000 2.069 293 F HA -0.204 4.303 4.527 -0.034 0.000 0.298 293 F C 1.941 177.755 175.800 0.022 0.000 1.113 293 F CA 1.613 59.633 58.000 0.034 0.000 1.214 293 F CB -0.662 38.356 39.000 0.031 0.000 0.978 293 F HN -0.201 nan 8.300 nan 0.000 0.474 294 V N 0.788 120.629 119.914 -0.122 0.000 2.332 294 V HA -0.278 3.822 4.120 -0.034 0.000 0.248 294 V C 2.788 178.770 176.094 -0.186 0.000 1.055 294 V CA 2.039 64.201 62.300 -0.231 0.000 1.038 294 V CB -1.781 30.018 31.823 -0.039 0.000 0.651 294 V HN 0.588 nan 8.190 nan 0.000 0.450 295 G N -0.054 108.695 108.800 -0.084 0.000 2.422 295 G HA2 -0.285 3.655 3.960 -0.034 0.000 0.218 295 G HA3 -0.285 3.655 3.960 -0.034 0.000 0.218 295 G C 1.853 176.721 174.900 -0.054 0.000 1.146 295 G CA 1.351 46.419 45.100 -0.053 0.000 0.769 295 G HN 0.658 nan 8.290 nan 0.000 0.547 296 S N -0.032 115.628 115.700 -0.067 0.000 2.423 296 S HA -0.020 4.430 4.470 -0.034 0.000 0.231 296 S C 2.232 176.799 174.600 -0.054 0.000 1.014 296 S CA 1.256 59.443 58.200 -0.022 0.000 0.965 296 S CB -0.131 63.076 63.200 0.012 0.000 0.785 296 S HN 0.093 nan 8.310 nan 0.000 0.495 297 V N 1.982 121.757 119.914 -0.231 0.000 2.379 297 V HA -0.061 4.038 4.120 -0.034 0.000 0.245 297 V C 2.749 178.816 176.094 -0.045 0.000 1.044 297 V CA 1.890 64.066 62.300 -0.207 0.000 1.036 297 V CB -0.702 30.876 31.823 -0.408 0.000 0.664 297 V HN 0.535 nan 8.190 nan 0.000 0.453 298 K N 0.302 120.649 120.400 -0.088 0.000 2.032 298 K HA -0.281 4.019 4.320 -0.034 0.000 0.209 298 K C 2.262 178.855 176.600 -0.013 0.000 1.048 298 K CA 2.183 58.429 56.287 -0.069 0.000 0.927 298 K CB -0.189 32.264 32.500 -0.078 0.000 0.712 298 K HN 0.568 nan 8.250 nan 0.000 0.441 299 E N -0.381 119.832 120.200 0.022 0.000 2.118 299 E HA -0.222 4.108 4.350 -0.034 0.000 0.195 299 E C 1.918 178.577 176.600 0.098 0.000 0.992 299 E CA 1.119 57.547 56.400 0.046 0.000 0.804 299 E CB -0.199 29.542 29.700 0.068 0.000 0.741 299 E HN 0.361 nan 8.360 nan 0.000 0.458 300 F N 1.107 121.084 119.950 0.044 0.000 2.134 300 F HA -0.144 4.363 4.527 -0.034 0.000 0.299 300 F C 1.954 177.842 175.800 0.147 0.000 1.097 300 F CA 1.336 59.436 58.000 0.167 0.000 1.264 300 F CB -0.034 39.063 39.000 0.162 0.000 1.001 300 F HN 0.001 nan 8.300 nan 0.000 0.479 301 L N -0.348 121.005 121.223 0.216 0.000 2.156 301 L HA -0.185 4.135 4.340 -0.034 0.000 0.208 301 L C 2.342 179.214 176.870 0.003 0.000 1.095 301 L CA 1.033 55.940 54.840 0.110 0.000 0.770 301 L CB -0.756 41.322 42.059 0.033 0.000 0.914 301 L HN 0.206 nan 8.230 nan 0.000 0.439 302 Q N -0.683 119.090 119.800 -0.044 0.000 2.167 302 Q HA -0.145 4.175 4.340 -0.034 0.000 0.202 302 Q C 2.108 178.009 176.000 -0.165 0.000 0.970 302 Q CA 1.807 57.565 55.803 -0.076 0.000 0.855 302 Q CB -0.124 28.573 28.738 -0.068 0.000 0.911 302 Q HN 0.466 nan 8.270 nan 0.000 0.438 303 T N -0.573 113.809 114.554 -0.287 0.000 2.851 303 T HA -0.088 4.242 4.350 -0.034 0.000 0.262 303 T C -0.141 174.095 174.700 -0.773 0.000 1.043 303 T CA 0.768 62.505 62.100 -0.606 0.000 1.140 303 T CB -0.045 68.344 68.868 -0.800 0.000 0.872 303 T HN 0.312 nan 8.240 nan 0.000 0.446 304 W N 2.222 123.370 121.300 -0.253 0.000 2.351 304 W HA 0.475 5.115 4.660 -0.033 0.000 0.320 304 W C 0.816 177.117 176.519 -0.363 0.000 0.947 304 W CA -0.986 56.153 57.345 -0.344 0.000 1.565 304 W CB 0.466 29.590 29.460 -0.561 0.000 1.409 304 W HN -0.034 nan 8.180 nan 0.000 0.399 305 K N 1.179 121.567 120.400 -0.020 0.000 2.432 305 K HA -0.081 4.219 4.320 -0.034 0.000 0.196 305 K C 1.533 178.122 176.600 -0.019 0.000 1.038 305 K CA 0.772 57.062 56.287 0.004 0.000 0.986 305 K CB -0.082 32.437 32.500 0.032 0.000 0.782 305 K HN 0.534 nan 8.250 nan 0.000 0.485 306 F N -0.374 119.507 119.950 -0.115 0.000 2.502 306 F HA 0.113 4.619 4.527 -0.034 0.000 0.298 306 F C 0.369 176.045 175.800 -0.207 0.000 1.111 306 F CA -0.280 57.590 58.000 -0.217 0.000 1.445 306 F CB -0.538 38.238 39.000 -0.373 0.000 1.081 306 F HN -0.288 nan 8.300 nan 0.000 0.558 307 F N 2.031 121.574 119.950 -0.678 0.000 2.389 307 F HA 0.230 4.737 4.527 -0.034 0.000 0.337 307 F C 1.003 176.769 175.800 -0.056 0.000 1.112 307 F CA -0.905 56.867 58.000 -0.380 0.000 1.192 307 F CB 0.416 39.176 39.000 -0.400 0.000 1.185 307 F HN -0.027 nan 8.300 nan 0.000 0.552 308 D N 1.638 122.181 120.400 0.238 0.000 2.559 308 D HA 0.362 4.982 4.640 -0.034 0.000 0.234 308 D C 0.830 177.299 176.300 0.283 0.000 1.226 308 D CA 0.363 54.430 54.000 0.112 0.000 0.830 308 D CB 0.592 41.407 40.800 0.025 0.000 1.028 308 D HN 0.732 nan 8.370 nan 0.000 0.492 309 G N -0.401 108.647 108.800 0.413 0.000 2.347 309 G HA2 0.185 4.125 3.960 -0.034 0.000 0.224 309 G HA3 0.185 4.125 3.960 -0.034 0.000 0.224 309 G C -1.877 173.134 174.900 0.185 0.000 1.318 309 G CA -0.134 45.176 45.100 0.351 0.000 1.016 309 G HN 0.179 nan 8.290 nan 0.000 0.469 310 V N 0.287 120.295 119.914 0.157 0.000 2.969 310 V HA 0.681 4.781 4.120 -0.034 0.000 0.304 310 V C -1.933 174.266 176.094 0.176 0.000 1.192 310 V CA -0.177 62.190 62.300 0.112 0.000 0.962 310 V CB 2.066 33.923 31.823 0.056 0.000 1.045 310 V HN 1.120 nan 8.190 nan 0.000 0.428 311 D N 5.338 125.868 120.400 0.216 0.000 2.256 311 D HA 0.499 5.119 4.640 -0.034 0.000 0.240 311 D C -0.775 175.713 176.300 0.313 0.000 1.062 311 D CA -0.380 53.800 54.000 0.300 0.000 0.832 311 D CB 1.278 42.300 40.800 0.370 0.000 1.135 311 D HN 0.392 nan 8.370 nan 0.000 0.484 312 I N 3.331 124.065 120.570 0.274 0.000 2.307 312 I HA 0.366 4.516 4.170 -0.034 0.000 0.289 312 I C 0.118 176.375 176.117 0.233 0.000 1.021 312 I CA -0.792 60.648 61.300 0.233 0.000 1.224 312 I CB 0.681 38.730 38.000 0.083 0.000 1.376 312 I HN 0.527 nan 8.210 nan 0.000 0.470 313 A N 7.742 130.721 122.820 0.266 0.000 3.158 313 A HA 0.181 4.481 4.320 -0.034 0.000 0.319 313 A C -0.578 177.084 177.584 0.131 0.000 1.204 313 A CA -0.521 51.657 52.037 0.235 0.000 0.992 313 A CB -0.234 18.945 19.000 0.297 0.000 1.110 313 A HN 0.669 nan 8.150 nan 0.000 0.519 314 W N 2.321 123.466 121.300 -0.257 0.000 2.481 314 W HA 0.395 5.035 4.660 -0.034 0.000 0.320 314 W C -0.795 175.580 176.519 -0.241 0.000 1.209 314 W CA -0.763 56.315 57.345 -0.446 0.000 1.400 314 W CB 0.021 28.975 29.460 -0.844 0.000 1.361 314 W HN 0.554 nan 8.180 nan 0.000 0.456 315 E N 6.532 126.769 120.200 0.062 0.000 2.101 315 E HA 0.343 4.673 4.350 -0.034 0.000 0.260 315 E C -1.400 174.882 176.600 -0.530 0.000 0.897 315 E CA -0.409 55.617 56.400 -0.625 0.000 0.744 315 E CB 0.843 29.979 29.700 -0.940 0.000 1.140 315 E HN 0.121 nan 8.360 nan 0.000 0.419 316 F N 1.471 121.525 119.950 0.172 0.000 2.619 316 F HA 0.334 4.841 4.527 -0.034 0.000 0.308 316 F C -2.435 173.079 175.800 -0.476 0.000 1.097 316 F CA -2.976 54.900 58.000 -0.207 0.000 0.953 316 F CB 1.267 40.198 39.000 -0.115 0.000 1.287 316 F HN 0.164 nan 8.300 nan 0.000 0.446 317 P HA 0.159 nan 4.420 nan 0.000 0.260 317 P C 0.747 177.901 177.300 -0.243 0.000 1.172 317 P CA 1.624 64.138 63.100 -0.975 0.000 0.760 317 P CB 0.285 31.294 31.700 -1.151 0.000 0.773 318 G N 2.158 110.983 108.800 0.043 0.000 2.213 318 G HA2 0.055 3.995 3.960 -0.034 0.000 0.236 318 G HA3 0.055 3.995 3.960 -0.034 0.000 0.236 318 G C 0.537 175.533 174.900 0.159 0.000 0.991 318 G CA 0.064 45.210 45.100 0.077 0.000 0.629 318 G HN 1.015 nan 8.290 nan 0.000 0.517 319 G N -0.115 108.885 108.800 0.334 0.000 2.587 319 G HA2 0.274 4.214 3.960 -0.034 0.000 0.212 319 G HA3 0.274 4.214 3.960 -0.034 0.000 0.212 319 G C 0.408 175.445 174.900 0.228 0.000 1.327 319 G CA 0.655 45.878 45.100 0.206 0.000 0.898 319 G HN 1.483 nan 8.290 nan 0.000 0.551 320 K N -1.710 118.762 120.400 0.120 0.000 3.339 320 K HA -0.151 4.149 4.320 -0.034 0.000 0.299 320 K C 1.098 177.874 176.600 0.293 0.000 1.270 320 K CA 1.543 57.935 56.287 0.174 0.000 0.875 320 K CB -1.791 30.803 32.500 0.157 0.000 1.298 320 K HN 1.700 nan 8.250 nan 0.000 0.485 321 G N 0.145 108.975 108.800 0.049 0.000 2.773 321 G HA2 0.553 4.493 3.960 -0.034 0.000 0.186 321 G HA3 0.553 4.493 3.960 -0.034 0.000 0.186 321 G C 1.103 175.528 174.900 -0.793 0.000 1.411 321 G CA 0.118 44.903 45.100 -0.525 0.000 1.054 321 G HN 0.152 nan 8.290 nan 0.000 0.579 322 A N -0.752 121.258 122.820 -1.350 0.000 1.972 322 A HA 0.022 4.322 4.320 -0.034 0.000 0.219 322 A C 1.405 178.786 177.584 -0.339 0.000 1.169 322 A CA 1.055 52.571 52.037 -0.869 0.000 0.635 322 A CB -0.406 17.984 19.000 -1.018 0.000 0.810 322 A HN 0.426 nan 8.150 nan 0.000 0.446 323 N N 0.110 118.617 118.700 -0.321 0.000 2.426 323 N HA 0.226 4.946 4.740 -0.034 0.000 0.257 323 N C -2.048 173.339 175.510 -0.204 0.000 1.002 323 N CA -1.917 51.002 53.050 -0.219 0.000 0.942 323 N CB 1.590 39.940 38.487 -0.227 0.000 1.112 323 N HN 0.054 nan 8.380 nan 0.000 0.499 324 P HA 0.002 nan 4.420 nan 0.000 0.226 324 P C 0.144 177.371 177.300 -0.121 0.000 1.153 324 P CA 0.812 63.854 63.100 -0.098 0.000 0.777 324 P CB 0.598 32.269 31.700 -0.048 0.000 0.794 325 N N -0.576 118.036 118.700 -0.147 0.000 2.299 325 N HA 0.127 4.847 4.740 -0.034 0.000 0.187 325 N C 0.703 176.079 175.510 -0.224 0.000 1.099 325 N CA 0.241 53.206 53.050 -0.142 0.000 0.867 325 N CB 0.512 38.941 38.487 -0.096 0.000 0.974 325 N HN 0.267 nan 8.380 nan 0.000 0.477 326 L N -0.144 120.851 121.223 -0.380 0.000 2.352 326 L HA 0.686 5.006 4.340 -0.034 0.000 0.269 326 L C 0.524 176.995 176.870 -0.664 0.000 1.034 326 L CA -0.665 53.783 54.840 -0.653 0.000 0.806 326 L CB 1.785 43.144 42.059 -1.168 0.000 1.244 326 L HN 0.060 nan 8.230 nan 0.000 0.447 327 G N 0.563 109.040 108.800 -0.538 0.000 2.653 327 G HA2 0.220 4.160 3.960 -0.034 0.000 0.656 327 G HA3 0.220 4.160 3.960 -0.034 0.000 0.656 327 G C -1.328 173.579 174.900 0.011 0.000 1.419 327 G CA -0.227 44.819 45.100 -0.089 0.000 0.862 327 G HN 0.698 nan 8.290 nan 0.000 0.639 328 S N 2.247 118.019 115.700 0.120 0.000 2.579 328 S HA 0.861 5.311 4.470 -0.034 0.000 0.272 328 S C -1.969 172.663 174.600 0.054 0.000 1.141 328 S CA -0.718 57.519 58.200 0.061 0.000 0.843 328 S CB 2.134 65.373 63.200 0.066 0.000 1.122 328 S HN 0.333 nan 8.310 nan 0.000 0.468 329 P HA -0.029 nan 4.420 nan 0.000 0.225 329 P C 1.038 178.341 177.300 0.005 0.000 1.148 329 P CA 0.771 63.873 63.100 0.002 0.000 0.779 329 P CB 0.061 31.758 31.700 -0.005 0.000 0.780 330 Q N -0.235 119.582 119.800 0.029 0.000 2.435 330 Q HA -0.121 4.199 4.340 -0.034 0.000 0.207 330 Q C 1.087 177.124 176.000 0.063 0.000 0.956 330 Q CA 0.821 56.648 55.803 0.040 0.000 0.917 330 Q CB -0.283 28.485 28.738 0.050 0.000 0.997 330 Q HN 0.123 nan 8.270 nan 0.000 0.497 331 D N -0.168 120.274 120.400 0.070 0.000 2.144 331 D HA -0.115 4.505 4.640 -0.034 0.000 0.199 331 D C 1.671 177.944 176.300 -0.045 0.000 0.984 331 D CA 1.313 55.368 54.000 0.092 0.000 0.834 331 D CB -0.504 40.317 40.800 0.036 0.000 0.955 331 D HN 0.469 nan 8.370 nan 0.000 0.465 332 G N 0.876 109.602 108.800 -0.123 0.000 2.491 332 G HA2 -0.350 3.589 3.960 -0.034 0.000 0.218 332 G HA3 -0.350 3.589 3.960 -0.034 0.000 0.218 332 G C 1.446 176.319 174.900 -0.044 0.000 1.180 332 G CA 1.080 46.083 45.100 -0.161 0.000 0.774 332 G HN 0.366 nan 8.290 nan 0.000 0.562 333 E N -0.259 119.939 120.200 -0.003 0.000 2.077 333 E HA -0.140 4.190 4.350 -0.034 0.000 0.193 333 E C 2.561 179.209 176.600 0.080 0.000 0.989 333 E CA 1.564 57.981 56.400 0.029 0.000 0.800 333 E CB -0.227 29.486 29.700 0.023 0.000 0.746 333 E HN 0.377 nan 8.360 nan 0.000 0.452 334 T N 0.120 114.750 114.554 0.126 0.000 2.684 334 T HA -0.209 4.121 4.350 -0.034 0.000 0.267 334 T C 1.469 176.317 174.700 0.247 0.000 1.036 334 T CA 1.513 63.724 62.100 0.185 0.000 1.148 334 T CB -0.565 68.465 68.868 0.269 0.000 0.863 334 T HN 0.348 nan 8.240 nan 0.000 0.436 335 Y N 1.743 122.132 120.300 0.149 0.000 2.128 335 Y HA -0.172 4.358 4.550 -0.034 0.000 0.284 335 Y C 2.308 178.224 175.900 0.027 0.000 1.154 335 Y CA 0.873 59.032 58.100 0.098 0.000 1.149 335 Y CB -0.634 37.738 38.460 -0.148 0.000 0.976 335 Y HN -0.023 nan 8.280 nan 0.000 0.505 336 V N 0.320 120.349 119.914 0.192 0.000 2.343 336 V HA -0.317 3.783 4.120 -0.034 0.000 0.247 336 V C 2.459 178.573 176.094 0.033 0.000 1.051 336 V CA 1.985 64.340 62.300 0.092 0.000 1.036 336 V CB -0.771 31.089 31.823 0.062 0.000 0.654 336 V HN 0.433 nan 8.190 nan 0.000 0.451 337 L N -0.828 120.424 121.223 0.047 0.000 2.017 337 L HA -0.201 4.118 4.340 -0.034 0.000 0.208 337 L C 2.473 179.360 176.870 0.028 0.000 1.073 337 L CA 1.403 56.265 54.840 0.037 0.000 0.745 337 L CB -0.664 41.423 42.059 0.047 0.000 0.894 337 L HN 0.337 nan 8.230 nan 0.000 0.432 338 L N -0.666 120.577 121.223 0.032 0.000 2.012 338 L HA -0.254 4.065 4.340 -0.034 0.000 0.210 338 L C 2.527 179.393 176.870 -0.007 0.000 1.073 338 L CA 1.930 56.793 54.840 0.039 0.000 0.748 338 L CB -0.436 41.650 42.059 0.045 0.000 0.891 338 L HN 0.170 nan 8.230 nan 0.000 0.431 339 M N -0.600 118.939 119.600 -0.101 0.000 2.086 339 M HA -0.211 4.249 4.480 -0.034 0.000 0.261 339 M C 2.257 178.539 176.300 -0.029 0.000 1.067 339 M CA 1.650 56.892 55.300 -0.098 0.000 1.116 339 M CB -1.187 31.327 32.600 -0.142 0.000 1.348 339 M HN 0.277 nan 8.290 nan 0.000 0.407 340 K N 0.177 120.569 120.400 -0.013 0.000 2.063 340 K HA -0.175 4.124 4.320 -0.034 0.000 0.208 340 K C 1.927 178.530 176.600 0.005 0.000 1.048 340 K CA 1.439 57.727 56.287 0.002 0.000 0.928 340 K CB -0.131 32.374 32.500 0.009 0.000 0.713 340 K HN 0.474 nan 8.250 nan 0.000 0.442 341 E N 0.689 120.896 120.200 0.011 0.000 2.152 341 E HA -0.098 4.232 4.350 -0.034 0.000 0.192 341 E C 2.047 178.649 176.600 0.004 0.000 0.983 341 E CA 0.553 56.961 56.400 0.013 0.000 0.818 341 E CB 0.017 29.734 29.700 0.028 0.000 0.758 341 E HN 0.191 nan 8.360 nan 0.000 0.467 342 L N 0.609 121.837 121.223 0.008 0.000 2.017 342 L HA -0.200 4.120 4.340 -0.034 0.000 0.208 342 L C 2.667 179.529 176.870 -0.012 0.000 1.073 342 L CA 1.154 55.991 54.840 -0.006 0.000 0.745 342 L CB -0.290 41.777 42.059 0.014 0.000 0.894 342 L HN 0.046 nan 8.230 nan 0.000 0.432 343 R N 0.591 121.089 120.500 -0.002 0.000 2.091 343 R HA -0.161 4.159 4.340 -0.034 0.000 0.238 343 R C 2.216 178.515 176.300 -0.002 0.000 1.136 343 R CA 1.718 57.820 56.100 0.003 0.000 0.959 343 R CB -0.586 29.717 30.300 0.005 0.000 0.856 343 R HN 0.321 nan 8.270 nan 0.000 0.437 344 A N 0.739 123.556 122.820 -0.004 0.000 1.902 344 A HA -0.175 4.125 4.320 -0.034 0.000 0.217 344 A C 2.226 179.799 177.584 -0.019 0.000 1.181 344 A CA 1.703 53.736 52.037 -0.006 0.000 0.623 344 A CB -0.660 18.338 19.000 -0.003 0.000 0.818 344 A HN 0.504 nan 8.150 nan 0.000 0.443 345 M N -0.230 119.350 119.600 -0.032 0.000 2.175 345 M HA -0.049 4.411 4.480 -0.034 0.000 0.264 345 M C 1.841 178.089 176.300 -0.086 0.000 1.063 345 M CA 1.683 56.948 55.300 -0.058 0.000 1.119 345 M CB -0.784 31.773 32.600 -0.072 0.000 1.377 345 M HN 0.429 nan 8.290 nan 0.000 0.415 346 L N -0.230 120.947 121.223 -0.077 0.000 2.156 346 L HA -0.177 4.143 4.340 -0.034 0.000 0.208 346 L C 1.935 178.786 176.870 -0.031 0.000 1.095 346 L CA 0.759 55.534 54.840 -0.108 0.000 0.770 346 L CB -0.796 41.244 42.059 -0.031 0.000 0.914 346 L HN 0.203 nan 8.230 nan 0.000 0.439 347 D N -0.299 120.102 120.400 0.001 0.000 2.144 347 D HA -0.214 4.406 4.640 -0.034 0.000 0.199 347 D C 2.138 178.449 176.300 0.017 0.000 0.984 347 D CA 1.022 55.038 54.000 0.027 0.000 0.834 347 D CB 0.050 40.862 40.800 0.020 0.000 0.955 347 D HN 0.187 nan 8.370 nan 0.000 0.465 348 Q N 0.295 120.089 119.800 -0.010 0.000 2.079 348 Q HA -0.068 4.252 4.340 -0.034 0.000 0.200 348 Q C 1.974 177.963 176.000 -0.018 0.000 0.974 348 Q CA 0.737 56.533 55.803 -0.012 0.000 0.840 348 Q CB -0.494 28.230 28.738 -0.022 0.000 0.898 348 Q HN 0.200 nan 8.270 nan 0.000 0.430 349 L N -0.073 121.108 121.223 -0.070 0.000 2.083 349 L HA -0.101 4.218 4.340 -0.034 0.000 0.209 349 L C 2.097 178.992 176.870 0.043 0.000 1.083 349 L CA 1.910 56.688 54.840 -0.103 0.000 0.752 349 L CB -0.880 40.967 42.059 -0.353 0.000 0.899 349 L HN 0.150 nan 8.230 nan 0.000 0.433 350 S N -0.878 114.897 115.700 0.125 0.000 2.356 350 S HA -0.165 4.285 4.470 -0.034 0.000 0.223 350 S C 1.925 176.608 174.600 0.137 0.000 1.032 350 S CA 1.604 59.961 58.200 0.262 0.000 1.005 350 S CB -0.564 62.774 63.200 0.230 0.000 0.867 350 S HN 0.535 nan 8.310 nan 0.000 0.449 351 V N 0.207 120.169 119.914 0.080 0.000 2.871 351 V HA 0.039 4.139 4.120 -0.034 0.000 0.256 351 V C 1.682 177.805 176.094 0.048 0.000 1.082 351 V CA 1.223 63.556 62.300 0.054 0.000 1.105 351 V CB -0.801 31.043 31.823 0.036 0.000 0.713 351 V HN 0.339 nan 8.190 nan 0.000 0.473 352 E N 1.727 121.956 120.200 0.048 0.000 2.106 352 E HA -0.114 4.216 4.350 -0.034 0.000 0.192 352 E C 2.216 178.849 176.600 0.055 0.000 0.984 352 E CA 1.870 58.294 56.400 0.039 0.000 0.806 352 E CB -0.166 29.548 29.700 0.023 0.000 0.750 352 E HN 0.887 nan 8.360 nan 0.000 0.458 353 T N -4.102 110.506 114.554 0.090 0.000 3.001 353 T HA 0.297 4.627 4.350 -0.034 0.000 0.251 353 T C 1.588 176.330 174.700 0.071 0.000 1.040 353 T CA 0.278 62.435 62.100 0.095 0.000 0.985 353 T CB 0.837 69.804 68.868 0.165 0.000 1.011 353 T HN 0.243 nan 8.240 nan 0.000 0.509 354 G N 1.909 110.748 108.800 0.066 0.000 2.168 354 G HA2 -0.282 3.657 3.960 -0.034 0.000 0.263 354 G HA3 -0.282 3.657 3.960 -0.034 0.000 0.263 354 G C 0.159 175.074 174.900 0.024 0.000 0.977 354 G CA 0.183 45.308 45.100 0.041 0.000 0.659 354 G HN 0.691 nan 8.290 nan 0.000 0.533 355 R N -0.046 120.470 120.500 0.028 0.000 2.573 355 R HA 0.603 4.923 4.340 -0.034 0.000 0.272 355 R C 0.144 176.404 176.300 -0.067 0.000 1.009 355 R CA -0.696 55.358 56.100 -0.078 0.000 1.059 355 R CB 0.947 31.101 30.300 -0.243 0.000 1.112 355 R HN 0.123 nan 8.270 nan 0.000 0.517 356 K N 1.959 122.278 120.400 -0.136 0.000 2.183 356 K HA 0.245 4.545 4.320 -0.034 0.000 0.274 356 K C -1.104 175.388 176.600 -0.181 0.000 1.009 356 K CA -0.262 55.988 56.287 -0.062 0.000 0.888 356 K CB 1.064 33.547 32.500 -0.028 0.000 1.078 356 K HN 0.394 nan 8.250 nan 0.000 0.459 357 Y N 1.053 121.378 120.300 0.042 0.000 2.409 357 Y HA 0.212 4.741 4.550 -0.034 0.000 0.339 357 Y C 0.277 176.215 175.900 0.062 0.000 1.033 357 Y CA -0.650 57.482 58.100 0.054 0.000 1.094 357 Y CB 1.832 40.318 38.460 0.044 0.000 1.210 357 Y HN 0.474 nan 8.280 nan 0.000 0.456 358 E N 2.611 122.959 120.200 0.246 0.000 2.191 358 E HA 0.467 4.797 4.350 -0.034 0.000 0.274 358 E C -1.648 175.062 176.600 0.182 0.000 0.948 358 E CA -1.138 55.378 56.400 0.194 0.000 0.802 358 E CB 2.541 32.392 29.700 0.251 0.000 1.137 358 E HN 0.336 nan 8.360 nan 0.000 0.397 359 L N 2.334 123.626 121.223 0.115 0.000 2.349 359 L HA 0.428 4.748 4.340 -0.034 0.000 0.278 359 L C -0.610 176.302 176.870 0.070 0.000 0.996 359 L CA 0.002 54.899 54.840 0.095 0.000 0.825 359 L CB 1.551 43.642 42.059 0.054 0.000 1.243 359 L HN 0.666 nan 8.230 nan 0.000 0.412 360 T N 0.845 115.474 114.554 0.125 0.000 2.907 360 T HA 0.843 5.173 4.350 -0.034 0.000 0.290 360 T C -0.604 174.192 174.700 0.159 0.000 1.066 360 T CA -0.747 61.410 62.100 0.095 0.000 1.012 360 T CB 1.705 70.674 68.868 0.169 0.000 1.184 360 T HN 0.641 nan 8.240 nan 0.000 0.522 361 S N -0.559 115.227 115.700 0.143 0.000 2.536 361 S HA 0.686 5.136 4.470 -0.034 0.000 0.271 361 S C -1.112 173.661 174.600 0.288 0.000 1.134 361 S CA -0.516 57.834 58.200 0.250 0.000 0.897 361 S CB 1.129 64.496 63.200 0.278 0.000 1.094 361 S HN 1.318 nan 8.310 nan 0.000 0.473 362 A N 4.271 127.304 122.820 0.356 0.000 2.260 362 A HA 0.761 5.060 4.320 -0.034 0.000 0.308 362 A C -0.069 177.659 177.584 0.240 0.000 1.254 362 A CA -0.671 51.552 52.037 0.310 0.000 0.874 362 A CB -0.287 18.923 19.000 0.350 0.000 1.153 362 A HN 1.050 nan 8.150 nan 0.000 0.527 363 I N 0.071 120.743 120.570 0.169 0.000 2.785 363 I HA 0.686 4.836 4.170 -0.034 0.000 0.302 363 I C 0.109 176.285 176.117 0.098 0.000 1.069 363 I CA -0.741 60.636 61.300 0.129 0.000 1.045 363 I CB 2.068 40.059 38.000 -0.017 0.000 1.236 363 I HN 0.445 nan 8.210 nan 0.000 0.429 364 S N 2.647 118.397 115.700 0.083 0.000 2.560 364 S HA 0.376 4.826 4.470 -0.034 0.000 0.284 364 S C 0.969 175.512 174.600 -0.095 0.000 1.327 364 S CA 0.255 58.397 58.200 -0.097 0.000 1.055 364 S CB 1.017 63.905 63.200 -0.520 0.000 0.868 364 S HN 0.887 nan 8.310 nan 0.000 0.506 365 A N 4.006 126.792 122.820 -0.057 0.000 2.308 365 A HA 0.428 4.727 4.320 -0.034 0.000 0.217 365 A C 1.054 178.659 177.584 0.035 0.000 1.216 365 A CA 0.242 52.298 52.037 0.032 0.000 0.864 365 A CB -0.570 18.540 19.000 0.183 0.000 0.902 365 A HN 0.958 nan 8.150 nan 0.000 0.499 366 G N -0.360 108.389 108.800 -0.085 0.000 2.403 366 G HA2 0.312 4.252 3.960 -0.034 0.000 0.259 366 G HA3 0.312 4.252 3.960 -0.034 0.000 0.259 366 G C 0.640 175.554 174.900 0.023 0.000 1.244 366 G CA -0.213 44.856 45.100 -0.051 0.000 0.849 366 G HN 0.356 nan 8.290 nan 0.000 0.532 367 K N 1.202 121.668 120.400 0.111 0.000 2.211 367 K HA -0.119 4.181 4.320 -0.034 0.000 0.203 367 K C 1.856 178.463 176.600 0.011 0.000 1.050 367 K CA 1.579 57.886 56.287 0.034 0.000 0.945 367 K CB 0.080 32.587 32.500 0.010 0.000 0.732 367 K HN 0.686 nan 8.250 nan 0.000 0.451 368 D N 0.707 121.127 120.400 0.035 0.000 2.178 368 D HA -0.197 4.423 4.640 -0.034 0.000 0.202 368 D C 1.244 177.508 176.300 -0.061 0.000 0.974 368 D CA 1.275 55.273 54.000 -0.004 0.000 0.841 368 D CB -0.098 40.719 40.800 0.028 0.000 0.953 368 D HN 0.239 nan 8.370 nan 0.000 0.478 369 K N -0.005 120.327 120.400 -0.114 0.000 2.137 369 K HA 0.165 4.465 4.320 -0.034 0.000 0.202 369 K C 2.477 179.010 176.600 -0.112 0.000 1.052 369 K CA 0.151 56.332 56.287 -0.177 0.000 0.961 369 K CB 0.230 32.508 32.500 -0.369 0.000 0.741 369 K HN 0.120 nan 8.250 nan 0.000 0.452 370 I N 1.910 122.456 120.570 -0.041 0.000 2.163 370 I HA -0.280 3.870 4.170 -0.034 0.000 0.243 370 I C 1.124 177.273 176.117 0.053 0.000 1.085 370 I CA 1.309 62.663 61.300 0.089 0.000 1.347 370 I CB -0.163 37.873 38.000 0.060 0.000 1.044 370 I HN 0.142 nan 8.210 nan 0.000 0.408 371 D N 0.768 121.160 120.400 -0.015 0.000 2.352 371 D HA -0.051 4.568 4.640 -0.034 0.000 0.232 371 D C 1.595 177.837 176.300 -0.096 0.000 1.055 371 D CA 0.509 54.483 54.000 -0.043 0.000 0.891 371 D CB 0.015 40.797 40.800 -0.030 0.000 0.897 371 D HN 0.379 nan 8.370 nan 0.000 0.529 372 K N -0.076 120.242 120.400 -0.138 0.000 2.459 372 K HA 0.085 4.384 4.320 -0.034 0.000 0.193 372 K C 0.377 176.808 176.600 -0.283 0.000 1.030 372 K CA 0.258 56.436 56.287 -0.181 0.000 1.026 372 K CB 1.018 33.410 32.500 -0.179 0.000 0.809 372 K HN -0.076 nan 8.250 nan 0.000 0.504 373 V N 0.839 120.513 119.914 -0.400 0.000 2.680 373 V HA 0.366 4.466 4.120 -0.034 0.000 0.309 373 V C -0.465 175.318 176.094 -0.518 0.000 1.052 373 V CA -1.227 60.687 62.300 -0.644 0.000 0.908 373 V CB 1.657 32.660 31.823 -1.366 0.000 1.001 373 V HN 0.036 nan 8.190 nan 0.000 0.431 374 A N 3.125 125.727 122.820 -0.364 0.000 2.915 374 A HA 0.364 4.664 4.320 -0.034 0.000 0.292 374 A C 0.398 177.876 177.584 -0.178 0.000 1.632 374 A CA -0.067 51.849 52.037 -0.201 0.000 1.337 374 A CB -0.690 18.251 19.000 -0.098 0.000 1.111 374 A HN 0.832 nan 8.150 nan 0.000 0.569 375 Y N 1.476 121.752 120.300 -0.041 0.000 2.421 375 Y HA -0.223 4.307 4.550 -0.034 0.000 0.292 375 Y C 2.410 178.313 175.900 0.005 0.000 1.136 375 Y CA 1.583 59.678 58.100 -0.008 0.000 1.255 375 Y CB -0.239 38.202 38.460 -0.033 0.000 0.991 375 Y HN 0.807 nan 8.280 nan 0.000 0.552 376 N N -0.107 118.670 118.700 0.128 0.000 2.289 376 N HA -0.129 4.591 4.740 -0.034 0.000 0.184 376 N C 1.542 177.084 175.510 0.052 0.000 1.016 376 N CA 1.629 54.723 53.050 0.073 0.000 0.872 376 N CB -0.810 37.703 38.487 0.044 0.000 0.973 376 N HN 0.288 nan 8.380 nan 0.000 0.433 377 V N 1.155 121.094 119.914 0.041 0.000 2.426 377 V HA 0.090 4.190 4.120 -0.034 0.000 0.242 377 V C 2.803 178.928 176.094 0.053 0.000 1.036 377 V CA 1.303 63.623 62.300 0.033 0.000 1.044 377 V CB -0.883 30.948 31.823 0.014 0.000 0.688 377 V HN 0.431 nan 8.190 nan 0.000 0.462 378 A N 0.922 123.791 122.820 0.081 0.000 1.972 378 A HA -0.291 4.009 4.320 -0.034 0.000 0.219 378 A C 2.215 179.870 177.584 0.117 0.000 1.169 378 A CA 1.943 54.053 52.037 0.122 0.000 0.635 378 A CB -0.593 18.552 19.000 0.241 0.000 0.810 378 A HN 0.773 nan 8.150 nan 0.000 0.446 379 Q N -0.228 119.645 119.800 0.122 0.000 2.248 379 Q HA -0.215 4.105 4.340 -0.034 0.000 0.208 379 Q C 1.081 177.099 176.000 0.029 0.000 0.984 379 Q CA 1.593 57.440 55.803 0.073 0.000 0.875 379 Q CB -0.593 28.178 28.738 0.056 0.000 0.910 379 Q HN 0.587 nan 8.270 nan 0.000 0.433 380 N N 0.471 119.188 118.700 0.029 0.000 2.453 380 N HA -0.037 4.683 4.740 -0.034 0.000 0.183 380 N C 0.936 176.450 175.510 0.007 0.000 1.041 380 N CA 1.162 54.219 53.050 0.012 0.000 0.900 380 N CB 0.100 38.596 38.487 0.014 0.000 0.961 380 N HN 0.275 nan 8.380 nan 0.000 0.443 381 S N -0.039 115.669 115.700 0.013 0.000 2.535 381 S HA 0.260 4.710 4.470 -0.034 0.000 0.214 381 S C 0.714 175.311 174.600 -0.005 0.000 0.980 381 S CA 0.081 58.283 58.200 0.005 0.000 0.907 381 S CB 0.468 63.671 63.200 0.004 0.000 0.790 381 S HN 0.209 nan 8.310 nan 0.000 0.510 382 M N 1.015 120.607 119.600 -0.014 0.000 2.456 382 M HA 0.375 4.834 4.480 -0.034 0.000 0.324 382 M C -0.030 176.202 176.300 -0.113 0.000 1.124 382 M CA -0.510 54.767 55.300 -0.038 0.000 0.959 382 M CB 1.673 34.267 32.600 -0.009 0.000 1.692 382 M HN -0.116 nan 8.290 nan 0.000 0.444 383 D N 0.471 120.763 120.400 -0.179 0.000 2.137 383 D HA 0.007 4.626 4.640 -0.034 0.000 0.202 383 D C 0.034 175.884 176.300 -0.750 0.000 0.970 383 D CA 1.352 55.096 54.000 -0.426 0.000 0.837 383 D CB 0.427 40.991 40.800 -0.394 0.000 0.981 383 D HN 0.507 nan 8.370 nan 0.000 0.475 384 H N -0.767 118.172 119.070 -0.219 0.000 2.974 384 H HA 0.407 4.943 4.556 -0.034 0.000 0.366 384 H C -0.538 174.476 175.328 -0.524 0.000 1.155 384 H CA -0.523 55.268 56.048 -0.429 0.000 1.186 384 H CB 1.909 31.217 29.762 -0.757 0.000 1.799 384 H HN -0.139 nan 8.280 nan 0.000 0.541 385 I N 2.967 123.336 120.570 -0.336 0.000 2.330 385 I HA 0.126 4.276 4.170 -0.034 0.000 0.289 385 I C -0.505 175.395 176.117 -0.362 0.000 1.001 385 I CA -0.561 60.562 61.300 -0.295 0.000 1.193 385 I CB 0.524 38.413 38.000 -0.185 0.000 1.345 385 I HN 0.253 nan 8.210 nan 0.000 0.461 386 F N 6.949 126.814 119.950 -0.143 0.000 2.423 386 F HA 0.234 4.741 4.527 -0.034 0.000 0.356 386 F C 0.194 175.922 175.800 -0.121 0.000 1.170 386 F CA -0.644 57.100 58.000 -0.426 0.000 1.163 386 F CB 0.491 38.932 39.000 -0.931 0.000 1.318 386 F HN 0.313 nan 8.300 nan 0.000 0.569 387 L N 5.191 126.591 121.223 0.295 0.000 2.385 387 L HA 0.259 4.579 4.340 -0.034 0.000 0.281 387 L C 0.135 177.189 176.870 0.307 0.000 1.106 387 L CA 0.216 55.192 54.840 0.227 0.000 0.856 387 L CB 0.227 42.379 42.059 0.155 0.000 1.186 387 L HN 0.509 nan 8.230 nan 0.000 0.453 388 M N 4.954 124.604 119.600 0.084 0.000 3.237 388 M HA 0.106 4.566 4.480 -0.034 0.000 0.266 388 M C 0.561 176.486 176.300 -0.626 0.000 1.456 388 M CA 0.014 55.083 55.300 -0.384 0.000 1.593 388 M CB -0.343 32.072 32.600 -0.309 0.000 1.129 388 M HN 0.755 nan 8.290 nan 0.000 0.547 389 S N 1.978 117.405 115.700 -0.454 0.000 4.069 389 S HA 0.313 4.762 4.470 -0.034 0.000 0.192 389 S C -0.613 173.579 174.600 -0.679 0.000 1.441 389 S CA -0.548 57.478 58.200 -0.290 0.000 0.994 389 S CB -0.926 62.332 63.200 0.096 0.000 1.456 389 S HN 0.575 nan 8.310 nan 0.000 0.458 390 Y N -2.963 116.891 120.300 -0.744 0.000 2.764 390 Y HA 0.585 5.114 4.550 -0.034 0.000 0.331 390 Y C -0.422 175.154 175.900 -0.539 0.000 1.280 390 Y CA -1.770 55.918 58.100 -0.687 0.000 1.065 390 Y CB -0.282 38.009 38.460 -0.281 0.000 1.319 390 Y HN 0.151 nan 8.280 nan 0.000 0.453 391 D N -0.193 120.260 120.400 0.088 0.000 2.837 391 D HA -0.195 4.425 4.640 -0.034 0.000 0.230 391 D C 0.398 176.846 176.300 0.248 0.000 1.152 391 D CA 1.075 55.212 54.000 0.229 0.000 0.736 391 D CB -1.255 39.688 40.800 0.238 0.000 1.084 391 D HN 0.498 nan 8.370 nan 0.000 0.429 392 F N -0.662 119.439 119.950 0.251 0.000 2.186 392 F HA 0.021 4.527 4.527 -0.035 0.000 0.299 392 F C 1.168 177.008 175.800 0.067 0.000 1.090 392 F CA 0.870 58.947 58.000 0.128 0.000 1.307 392 F CB -0.229 38.917 39.000 0.243 0.000 1.019 392 F HN 0.084 nan 8.300 nan 0.000 0.489 393 Y N -1.793 118.787 120.300 0.467 0.000 2.669 393 Y HA 0.671 5.201 4.550 -0.032 0.000 0.335 393 Y C 0.531 176.370 175.900 -0.102 0.000 1.116 393 Y CA -0.973 57.299 58.100 0.286 0.000 1.081 393 Y CB 1.668 40.370 38.460 0.403 0.000 1.297 393 Y HN -0.075 nan 8.280 nan 0.000 0.484 394 G N -0.691 107.968 108.800 -0.234 0.000 2.359 394 G HA2 0.382 4.322 3.960 -0.034 0.000 0.293 394 G HA3 0.382 4.322 3.960 -0.034 0.000 0.293 394 G C -0.547 173.863 174.900 -0.815 0.000 1.300 394 G CA -0.255 44.376 45.100 -0.782 0.000 0.888 394 G HN 0.930 nan 8.290 nan 0.000 0.541 395 A N -0.642 121.747 122.820 -0.719 0.000 2.239 395 A HA 0.357 4.657 4.320 -0.034 0.000 0.209 395 A C 1.857 179.431 177.584 -0.017 0.000 1.171 395 A CA 1.919 53.760 52.037 -0.327 0.000 0.768 395 A CB -0.926 17.913 19.000 -0.268 0.000 0.790 395 A HN 1.441 nan 8.150 nan 0.000 0.478 396 F N -0.818 119.185 119.950 0.088 0.000 2.502 396 F HA 0.164 4.672 4.527 -0.032 0.000 0.298 396 F C 0.376 176.281 175.800 0.174 0.000 1.111 396 F CA 0.045 58.110 58.000 0.108 0.000 1.445 396 F CB -0.240 38.799 39.000 0.064 0.000 1.081 396 F HN 0.152 nan 8.300 nan 0.000 0.558 397 D N 0.702 121.211 120.400 0.182 0.000 2.549 397 D HA 0.280 4.900 4.640 -0.034 0.000 0.251 397 D C 0.242 176.715 176.300 0.287 0.000 1.153 397 D CA -0.395 53.763 54.000 0.263 0.000 0.861 397 D CB 1.462 42.440 40.800 0.297 0.000 1.207 397 D HN 0.186 nan 8.370 nan 0.000 0.543 398 L N 2.896 124.248 121.223 0.215 0.000 2.592 398 L HA 0.167 4.487 4.340 -0.034 0.000 0.227 398 L C 1.758 178.635 176.870 0.012 0.000 1.127 398 L CA 0.309 55.245 54.840 0.161 0.000 0.884 398 L CB 0.237 42.390 42.059 0.156 0.000 1.065 398 L HN 0.178 nan 8.230 nan 0.000 0.457 399 K N -0.532 119.891 120.400 0.039 0.000 2.262 399 K HA 0.149 4.448 4.320 -0.034 0.000 0.200 399 K C 0.313 176.904 176.600 -0.015 0.000 1.058 399 K CA 0.230 56.518 56.287 0.002 0.000 0.974 399 K CB 0.410 32.933 32.500 0.040 0.000 0.910 399 K HN 0.096 nan 8.250 nan 0.000 0.484 400 N N 2.222 120.960 118.700 0.064 0.000 2.816 400 N HA 0.230 4.950 4.740 -0.034 0.000 0.236 400 N C -0.865 174.742 175.510 0.162 0.000 1.076 400 N CA -0.059 53.065 53.050 0.123 0.000 0.902 400 N CB 0.935 39.558 38.487 0.226 0.000 1.149 400 N HN 0.048 nan 8.380 nan 0.000 0.506 401 L N 0.268 121.415 121.223 -0.127 0.000 2.399 401 L HA 0.810 5.129 4.340 -0.034 0.000 0.265 401 L C 1.134 177.706 176.870 -0.497 0.000 1.089 401 L CA -0.666 53.959 54.840 -0.359 0.000 0.802 401 L CB 1.258 42.835 42.059 -0.804 0.000 1.180 401 L HN 0.352 nan 8.230 nan 0.000 0.454 402 G N -1.092 107.304 108.800 -0.673 0.000 2.441 402 G HA2 0.260 4.199 3.960 -0.034 0.000 0.294 402 G HA3 0.260 4.199 3.960 -0.034 0.000 0.294 402 G C -1.519 172.951 174.900 -0.717 0.000 1.393 402 G CA -0.774 43.530 45.100 -1.327 0.000 0.796 402 G HN 0.476 nan 8.290 nan 0.000 0.494 403 H N 0.650 119.353 119.070 -0.612 0.000 2.803 403 H HA 0.122 4.658 4.556 -0.033 0.000 0.330 403 H C 1.341 176.840 175.328 0.284 0.000 1.057 403 H CA 0.764 56.719 56.048 -0.156 0.000 1.458 403 H CB 1.844 31.475 29.762 -0.217 0.000 1.470 403 H HN 0.725 nan 8.280 nan 0.000 0.560 404 Q N 1.342 121.397 119.800 0.425 0.000 2.389 404 Q HA -0.019 4.301 4.340 -0.034 0.000 0.204 404 Q C 0.939 177.049 176.000 0.184 0.000 0.944 404 Q CA 1.229 57.273 55.803 0.402 0.000 0.908 404 Q CB 0.641 29.529 28.738 0.251 0.000 1.002 404 Q HN 0.495 nan 8.270 nan 0.000 0.493 405 T N -0.847 113.817 114.554 0.184 0.000 3.567 405 T HA 0.533 4.863 4.350 -0.034 0.000 0.314 405 T C -0.287 174.506 174.700 0.156 0.000 0.942 405 T CA 0.071 62.174 62.100 0.006 0.000 0.997 405 T CB -0.005 68.819 68.868 -0.074 0.000 1.205 405 T HN 0.433 nan 8.240 nan 0.000 0.518 406 A N 0.972 123.948 122.820 0.260 0.000 2.406 406 A HA 0.572 4.871 4.320 -0.034 0.000 0.243 406 A C 1.390 179.012 177.584 0.064 0.000 1.082 406 A CA -0.294 51.771 52.037 0.047 0.000 0.786 406 A CB 0.085 19.044 19.000 -0.069 0.000 1.029 406 A HN 0.436 nan 8.150 nan 0.000 0.495 407 L N 0.968 122.145 121.223 -0.077 0.000 2.044 407 L HA 0.039 4.359 4.340 -0.034 0.000 0.205 407 L C 0.526 177.288 176.870 -0.179 0.000 1.075 407 L CA 1.672 56.421 54.840 -0.152 0.000 0.747 407 L CB -0.532 41.396 42.059 -0.218 0.000 0.903 407 L HN 0.758 nan 8.230 nan 0.000 0.435 408 N N -1.299 117.296 118.700 -0.175 0.000 2.469 408 N HA 0.497 5.217 4.740 -0.034 0.000 0.286 408 N C -0.718 174.677 175.510 -0.193 0.000 1.275 408 N CA -0.018 52.922 53.050 -0.184 0.000 0.790 408 N CB 1.336 39.717 38.487 -0.178 0.000 1.446 408 N HN 0.140 nan 8.380 nan 0.000 0.501 409 A N 1.149 123.844 122.820 -0.209 0.000 2.425 409 A HA 0.382 4.682 4.320 -0.034 0.000 0.242 409 A C -2.055 175.312 177.584 -0.362 0.000 1.077 409 A CA -0.568 51.308 52.037 -0.268 0.000 0.781 409 A CB -0.501 18.347 19.000 -0.254 0.000 1.020 409 A HN 0.433 nan 8.150 nan 0.000 0.494 410 P HA 0.305 nan 4.420 nan 0.000 0.276 410 P C 0.536 177.356 177.300 -0.800 0.000 1.252 410 P CA 0.286 62.828 63.100 -0.929 0.000 0.802 410 P CB 1.213 31.702 31.700 -2.018 0.000 1.035 411 A N 1.107 123.572 122.820 -0.591 0.000 1.969 411 A HA -0.138 4.161 4.320 -0.034 0.000 0.218 411 A C 1.788 179.300 177.584 -0.121 0.000 1.169 411 A CA 1.346 53.256 52.037 -0.212 0.000 0.635 411 A CB -1.655 17.355 19.000 0.015 0.000 0.810 411 A HN 0.809 nan 8.150 nan 0.000 0.445 412 W N -1.216 120.050 121.300 -0.057 0.000 2.800 412 W HA 0.317 4.961 4.660 -0.026 0.000 0.249 412 W C 0.595 177.068 176.519 -0.077 0.000 1.294 412 W CA 0.776 58.084 57.345 -0.063 0.000 1.402 412 W CB 0.161 29.578 29.460 -0.070 0.000 1.126 412 W HN 0.131 nan 8.180 nan 0.000 0.652 413 K N 1.370 121.539 120.400 -0.384 0.000 2.984 413 K HA 0.138 4.438 4.320 -0.034 0.000 0.211 413 K C -2.272 174.161 176.600 -0.278 0.000 1.174 413 K CA -1.093 55.049 56.287 -0.241 0.000 0.978 413 K CB 1.036 33.430 32.500 -0.177 0.000 1.212 413 K HN -0.328 nan 8.250 nan 0.000 0.589 414 P HA -0.111 nan 4.420 nan 0.000 0.230 414 P C 0.340 177.550 177.300 -0.149 0.000 1.158 414 P CA 0.913 63.905 63.100 -0.181 0.000 0.769 414 P CB 0.162 31.785 31.700 -0.128 0.000 0.807 415 D N -1.878 118.442 120.400 -0.133 0.000 2.339 415 D HA -0.022 4.598 4.640 -0.034 0.000 0.217 415 D C -0.043 176.171 176.300 -0.143 0.000 1.050 415 D CA 0.019 53.946 54.000 -0.121 0.000 0.856 415 D CB -1.287 39.458 40.800 -0.093 0.000 0.922 415 D HN -0.117 nan 8.370 nan 0.000 0.518 416 T N 0.841 115.300 114.554 -0.158 0.000 2.819 416 T HA 0.203 4.532 4.350 -0.034 0.000 0.282 416 T C 1.398 175.968 174.700 -0.218 0.000 1.013 416 T CA 0.537 62.547 62.100 -0.150 0.000 1.159 416 T CB 1.181 69.964 68.868 -0.141 0.000 1.007 416 T HN 0.311 nan 8.240 nan 0.000 0.514 417 A N 4.058 126.682 122.820 -0.328 0.000 1.872 417 A HA 0.033 4.333 4.320 -0.034 0.000 0.214 417 A C 0.432 177.697 177.584 -0.532 0.000 1.187 417 A CA 0.908 52.641 52.037 -0.506 0.000 0.614 417 A CB -0.249 18.256 19.000 -0.824 0.000 0.826 417 A HN 0.772 nan 8.150 nan 0.000 0.442 418 Y N 1.589 121.703 120.300 -0.311 0.000 2.676 418 Y HA 0.447 4.976 4.550 -0.034 0.000 0.338 418 Y C 0.793 176.052 175.900 -1.068 0.000 1.057 418 Y CA -0.496 57.210 58.100 -0.656 0.000 1.314 418 Y CB -0.014 38.120 38.460 -0.543 0.000 1.164 418 Y HN 0.291 nan 8.280 nan 0.000 0.509 419 T N -2.893 111.189 114.554 -0.787 0.000 2.901 419 T HA 0.318 4.648 4.350 -0.034 0.000 0.293 419 T C 1.008 175.491 174.700 -0.362 0.000 1.084 419 T CA -0.666 61.055 62.100 -0.631 0.000 1.008 419 T CB 1.645 70.351 68.868 -0.270 0.000 1.170 419 T HN 0.279 nan 8.240 nan 0.000 0.509 420 T N 0.970 115.541 114.554 0.029 0.000 2.674 420 T HA -0.104 4.226 4.350 -0.034 0.000 0.265 420 T C 2.102 176.816 174.700 0.024 0.000 1.039 420 T CA 1.541 63.729 62.100 0.147 0.000 1.150 420 T CB -0.456 68.473 68.868 0.101 0.000 0.864 420 T HN 0.482 nan 8.240 nan 0.000 0.427 421 V N 2.646 122.499 119.914 -0.102 0.000 2.324 421 V HA -0.221 3.878 4.120 -0.034 0.000 0.250 421 V C 2.432 178.521 176.094 -0.009 0.000 1.060 421 V CA 1.666 63.927 62.300 -0.064 0.000 1.042 421 V CB -0.685 31.050 31.823 -0.146 0.000 0.650 421 V HN 0.455 nan 8.190 nan 0.000 0.450 422 N N 0.757 119.418 118.700 -0.064 0.000 2.166 422 N HA -0.114 4.606 4.740 -0.034 0.000 0.186 422 N C 1.845 177.344 175.510 -0.018 0.000 1.019 422 N CA 1.602 54.617 53.050 -0.057 0.000 0.856 422 N CB -0.679 37.741 38.487 -0.112 0.000 0.993 422 N HN 0.540 nan 8.380 nan 0.000 0.426 423 G N 0.545 109.347 108.800 0.003 0.000 2.394 423 G HA2 -0.135 3.805 3.960 -0.034 0.000 0.215 423 G HA3 -0.135 3.805 3.960 -0.034 0.000 0.215 423 G C 1.714 176.636 174.900 0.037 0.000 1.165 423 G CA 0.576 45.695 45.100 0.032 0.000 0.784 423 G HN 0.173 nan 8.290 nan 0.000 0.535 424 V N 1.687 121.648 119.914 0.078 0.000 2.287 424 V HA -0.220 3.880 4.120 -0.034 0.000 0.248 424 V C 2.685 178.811 176.094 0.054 0.000 1.053 424 V CA 2.010 64.363 62.300 0.088 0.000 1.027 424 V CB -0.490 31.449 31.823 0.192 0.000 0.646 424 V HN 0.298 nan 8.190 nan 0.000 0.447 425 N N 0.325 119.058 118.700 0.054 0.000 2.188 425 N HA -0.086 4.634 4.740 -0.034 0.000 0.184 425 N C 1.875 177.394 175.510 0.014 0.000 1.018 425 N CA 1.548 54.617 53.050 0.032 0.000 0.858 425 N CB -0.563 37.939 38.487 0.024 0.000 0.989 425 N HN 0.489 nan 8.380 nan 0.000 0.426 426 A N 1.259 124.083 122.820 0.008 0.000 1.883 426 A HA -0.104 4.196 4.320 -0.034 0.000 0.217 426 A C 2.349 179.941 177.584 0.013 0.000 1.186 426 A CA 1.062 53.103 52.037 0.006 0.000 0.624 426 A CB -0.812 18.190 19.000 0.004 0.000 0.822 426 A HN 0.230 nan 8.150 nan 0.000 0.444 427 L N -0.749 120.474 121.223 0.000 0.000 2.017 427 L HA -0.192 4.127 4.340 -0.034 0.000 0.208 427 L C 2.602 179.478 176.870 0.010 0.000 1.073 427 L CA 1.229 56.066 54.840 -0.006 0.000 0.745 427 L CB -0.620 41.402 42.059 -0.063 0.000 0.894 427 L HN 0.375 nan 8.230 nan 0.000 0.432 428 L N -0.329 120.898 121.223 0.008 0.000 2.083 428 L HA -0.200 4.120 4.340 -0.034 0.000 0.209 428 L C 2.825 179.701 176.870 0.011 0.000 1.083 428 L CA 1.134 55.979 54.840 0.008 0.000 0.752 428 L CB -0.740 41.324 42.059 0.008 0.000 0.899 428 L HN 0.256 nan 8.230 nan 0.000 0.433 429 A N -0.634 122.193 122.820 0.011 0.000 2.015 429 A HA -0.195 4.104 4.320 -0.034 0.000 0.219 429 A C 2.201 179.792 177.584 0.012 0.000 1.163 429 A CA 1.134 53.176 52.037 0.008 0.000 0.646 429 A CB -0.327 18.676 19.000 0.004 0.000 0.806 429 A HN 0.488 nan 8.150 nan 0.000 0.448 430 Q N -1.731 118.082 119.800 0.023 0.000 2.224 430 Q HA 0.108 4.428 4.340 -0.034 0.000 0.203 430 Q C 1.228 177.244 176.000 0.026 0.000 0.970 430 Q CA 0.782 56.602 55.803 0.029 0.000 0.865 430 Q CB -0.060 28.713 28.738 0.058 0.000 0.922 430 Q HN 0.909 nan 8.270 nan 0.000 0.445 431 G N 0.091 108.905 108.800 0.023 0.000 2.159 431 G HA2 -0.185 3.754 3.960 -0.034 0.000 0.170 431 G HA3 -0.185 3.754 3.960 -0.034 0.000 0.170 431 G C -0.009 174.905 174.900 0.023 0.000 1.007 431 G CA -0.211 44.901 45.100 0.019 0.000 0.672 431 G HN 0.143 nan 8.290 nan 0.000 0.507 432 V N 1.332 121.263 119.914 0.029 0.000 2.585 432 V HA 0.222 4.321 4.120 -0.034 0.000 0.296 432 V C 1.133 177.230 176.094 0.005 0.000 1.035 432 V CA 0.228 62.542 62.300 0.023 0.000 1.084 432 V CB 0.935 32.767 31.823 0.015 0.000 0.953 432 V HN 0.376 nan 8.190 nan 0.000 0.483 433 K N 7.636 128.037 120.400 0.001 0.000 2.401 433 K HA 0.150 4.450 4.320 -0.034 0.000 0.278 433 K C -1.372 175.220 176.600 -0.013 0.000 1.018 433 K CA -1.055 55.228 56.287 -0.006 0.000 0.981 433 K CB 0.507 33.002 32.500 -0.007 0.000 0.933 433 K HN 0.429 nan 8.250 nan 0.000 0.477 434 P HA -0.174 nan 4.420 nan 0.000 0.215 434 P C 1.146 178.434 177.300 -0.020 0.000 1.153 434 P CA 1.318 64.403 63.100 -0.026 0.000 0.853 434 P CB 0.044 31.721 31.700 -0.038 0.000 0.788 435 G N 0.215 109.008 108.800 -0.011 0.000 2.535 435 G HA2 -0.182 3.758 3.960 -0.034 0.000 0.218 435 G HA3 -0.182 3.758 3.960 -0.034 0.000 0.218 435 G C 1.583 176.490 174.900 0.012 0.000 1.122 435 G CA 0.342 45.445 45.100 0.004 0.000 0.769 435 G HN 0.224 nan 8.290 nan 0.000 0.549 436 K N -0.105 120.288 120.400 -0.011 0.000 2.305 436 K HA 0.156 4.455 4.320 -0.034 0.000 0.199 436 K C 0.742 177.325 176.600 -0.029 0.000 1.047 436 K CA 0.092 56.360 56.287 -0.031 0.000 0.976 436 K CB 0.294 32.766 32.500 -0.048 0.000 0.765 436 K HN 0.336 nan 8.250 nan 0.000 0.474 437 I N 2.252 122.814 120.570 -0.013 0.000 2.325 437 I HA 0.066 4.216 4.170 -0.034 0.000 0.291 437 I C -0.325 175.821 176.117 0.049 0.000 1.019 437 I CA -0.636 60.661 61.300 -0.006 0.000 1.302 437 I CB 1.370 39.371 38.000 0.002 0.000 1.401 437 I HN -0.348 nan 8.210 nan 0.000 0.485 438 V N 7.540 127.502 119.914 0.081 0.000 2.370 438 V HA 0.294 4.394 4.120 -0.034 0.000 0.283 438 V C 0.237 176.586 176.094 0.425 0.000 1.023 438 V CA -0.744 61.695 62.300 0.232 0.000 0.857 438 V CB 1.756 33.720 31.823 0.235 0.000 0.985 438 V HN 0.372 nan 8.190 nan 0.000 0.443 439 V N 3.865 123.987 119.914 0.348 0.000 2.607 439 V HA 0.543 4.642 4.120 -0.034 0.000 0.289 439 V C 1.009 177.227 176.094 0.206 0.000 1.053 439 V CA 0.003 62.480 62.300 0.295 0.000 0.996 439 V CB 1.643 33.604 31.823 0.229 0.000 0.995 439 V HN 0.994 nan 8.190 nan 0.000 0.476 440 G N 2.751 111.569 108.800 0.030 0.000 2.372 440 G HA2 0.566 4.506 3.960 -0.034 0.000 0.283 440 G HA3 0.566 4.506 3.960 -0.034 0.000 0.283 440 G C -0.054 174.750 174.900 -0.160 0.000 1.177 440 G CA -0.077 44.751 45.100 -0.453 0.000 0.842 440 G HN 0.830 nan 8.290 nan 0.000 0.503 441 T N -1.178 113.265 114.554 -0.186 0.000 2.885 441 T HA 0.732 5.062 4.350 -0.034 0.000 0.285 441 T C -0.144 174.507 174.700 -0.082 0.000 1.019 441 T CA -0.564 61.488 62.100 -0.079 0.000 1.010 441 T CB 2.103 70.917 68.868 -0.090 0.000 1.022 441 T HN 1.015 nan 8.240 nan 0.000 0.466 442 A N 3.178 125.905 122.820 -0.155 0.000 2.276 442 A HA 0.644 4.944 4.320 -0.034 0.000 0.316 442 A C 0.631 178.068 177.584 -0.245 0.000 1.229 442 A CA -1.002 50.811 52.037 -0.374 0.000 0.851 442 A CB 0.303 18.872 19.000 -0.719 0.000 1.165 442 A HN 0.972 nan 8.150 nan 0.000 0.513 443 M N 2.472 122.023 119.600 -0.081 0.000 2.631 443 M HA 0.220 4.680 4.480 -0.034 0.000 0.241 443 M C -0.847 175.580 176.300 0.213 0.000 1.255 443 M CA 0.270 55.586 55.300 0.027 0.000 0.983 443 M CB -0.732 31.875 32.600 0.013 0.000 1.580 443 M HN 0.749 nan 8.290 nan 0.000 0.464 444 Y N -3.352 117.018 120.300 0.117 0.000 2.625 444 Y HA 0.881 5.410 4.550 -0.034 0.000 0.338 444 Y C -0.326 175.680 175.900 0.176 0.000 1.123 444 Y CA -1.911 56.274 58.100 0.142 0.000 1.046 444 Y CB 0.390 38.917 38.460 0.112 0.000 1.299 444 Y HN -0.071 nan 8.280 nan 0.000 0.464 445 G N 1.369 110.310 108.800 0.235 0.000 2.441 445 G HA2 0.707 4.646 3.960 -0.034 0.000 0.334 445 G HA3 0.707 4.646 3.960 -0.034 0.000 0.334 445 G C -1.207 173.827 174.900 0.223 0.000 1.161 445 G CA -1.403 43.816 45.100 0.199 0.000 0.935 445 G HN 0.678 nan 8.290 nan 0.000 0.488 446 R N -0.791 119.778 120.500 0.115 0.000 2.720 446 R HA 0.758 5.078 4.340 -0.034 0.000 0.272 446 R C -0.011 176.124 176.300 -0.275 0.000 0.991 446 R CA -0.366 55.694 56.100 -0.066 0.000 1.010 446 R CB 2.220 32.455 30.300 -0.108 0.000 1.141 446 R HN 0.785 nan 8.270 nan 0.000 0.494 447 G N 0.303 108.802 108.800 -0.501 0.000 2.550 447 G HA2 0.439 4.379 3.960 -0.034 0.000 0.293 447 G HA3 0.439 4.379 3.960 -0.034 0.000 0.293 447 G C -1.947 172.612 174.900 -0.567 0.000 1.402 447 G CA -0.666 44.102 45.100 -0.553 0.000 0.784 447 G HN 0.364 nan 8.290 nan 0.000 0.482 448 W N -0.803 120.513 121.300 0.025 0.000 2.902 448 W HA 0.709 5.350 4.660 -0.031 0.000 0.346 448 W C -0.364 176.162 176.519 0.011 0.000 1.139 448 W CA -0.570 56.781 57.345 0.009 0.000 1.139 448 W CB 2.185 31.640 29.460 -0.009 0.000 1.439 448 W HN 0.678 nan 8.180 nan 0.000 0.558 449 T N -0.939 113.756 114.554 0.236 0.000 2.930 449 T HA 0.519 4.848 4.350 -0.034 0.000 0.290 449 T C 0.557 175.325 174.700 0.113 0.000 1.052 449 T CA 0.595 62.770 62.100 0.125 0.000 1.017 449 T CB 1.147 70.050 68.868 0.060 0.000 1.137 449 T HN 0.952 nan 8.240 nan 0.000 0.511 450 G N 1.420 110.257 108.800 0.062 0.000 2.176 450 G HA2 -0.193 3.747 3.960 -0.034 0.000 0.252 450 G HA3 -0.193 3.747 3.960 -0.034 0.000 0.252 450 G C 0.167 175.112 174.900 0.075 0.000 1.024 450 G CA 0.178 45.309 45.100 0.053 0.000 0.755 450 G HN 0.943 nan 8.290 nan 0.000 0.507 451 V N 0.924 120.905 119.914 0.112 0.000 2.655 451 V HA 0.472 4.571 4.120 -0.034 0.000 0.300 451 V C 0.560 176.777 176.094 0.205 0.000 1.044 451 V CA 0.843 63.194 62.300 0.085 0.000 1.095 451 V CB 0.972 32.799 31.823 0.006 0.000 0.952 451 V HN 1.044 nan 8.190 nan 0.000 0.485 452 N N 1.649 120.451 118.700 0.169 0.000 2.859 452 N HA 0.577 5.297 4.740 -0.034 0.000 0.250 452 N C -0.043 175.491 175.510 0.040 0.000 1.341 452 N CA -0.166 52.968 53.050 0.139 0.000 0.881 452 N CB 1.617 40.129 38.487 0.041 0.000 1.516 452 N HN 0.980 nan 8.380 nan 0.000 0.503 453 G N -0.443 108.272 108.800 -0.142 0.000 2.225 453 G HA2 -0.231 3.709 3.960 -0.034 0.000 0.264 453 G HA3 -0.231 3.709 3.960 -0.034 0.000 0.264 453 G C -0.720 174.095 174.900 -0.142 0.000 1.060 453 G CA 0.753 45.757 45.100 -0.161 0.000 0.833 453 G HN 1.001 nan 8.290 nan 0.000 0.498 454 Y N -1.870 118.338 120.300 -0.153 0.000 2.420 454 Y HA 0.862 5.403 4.550 -0.015 0.000 0.334 454 Y C 0.178 175.972 175.900 -0.176 0.000 1.094 454 Y CA -1.862 56.113 58.100 -0.208 0.000 1.126 454 Y CB 1.113 39.385 38.460 -0.314 0.000 1.217 454 Y HN 0.129 nan 8.280 nan 0.000 0.462 455 Q N 0.999 120.780 119.800 -0.032 0.000 2.193 455 Q HA 0.347 4.667 4.340 -0.034 0.000 0.246 455 Q C -0.168 175.813 176.000 -0.032 0.000 0.959 455 Q CA -0.673 55.092 55.803 -0.063 0.000 0.904 455 Q CB 0.580 29.280 28.738 -0.063 0.000 1.238 455 Q HN 0.742 nan 8.270 nan 0.000 0.469 456 N N 2.294 120.975 118.700 -0.031 0.000 2.696 456 N HA -0.265 4.455 4.740 -0.034 0.000 0.249 456 N C -0.915 174.589 175.510 -0.011 0.000 1.090 456 N CA 0.969 54.008 53.050 -0.019 0.000 0.716 456 N CB -1.017 37.455 38.487 -0.026 0.000 1.020 456 N HN 0.765 nan 8.380 nan 0.000 0.548 457 N N -1.559 117.166 118.700 0.041 0.000 2.714 457 N HA -0.204 4.516 4.740 -0.034 0.000 0.250 457 N C -0.677 174.759 175.510 -0.124 0.000 1.117 457 N CA 0.966 54.049 53.050 0.055 0.000 0.719 457 N CB -0.779 37.740 38.487 0.053 0.000 1.081 457 N HN 0.448 nan 8.380 nan 0.000 0.557 458 I N 0.615 121.041 120.570 -0.240 0.000 2.337 458 I HA 0.185 4.335 4.170 -0.034 0.000 0.285 458 I C -1.356 174.308 176.117 -0.755 0.000 1.041 458 I CA -1.972 58.992 61.300 -0.561 0.000 1.199 458 I CB 1.091 38.584 38.000 -0.845 0.000 1.370 458 I HN -0.289 nan 8.210 nan 0.000 0.470 459 P HA -0.123 nan 4.420 nan 0.000 0.218 459 P C 1.541 178.176 177.300 -1.108 0.000 1.148 459 P CA 1.434 63.560 63.100 -1.623 0.000 0.822 459 P CB 0.079 30.466 31.700 -2.188 0.000 0.784 460 F N -0.125 119.296 119.950 -0.883 0.000 2.451 460 F HA -0.094 4.414 4.527 -0.031 0.000 0.299 460 F C 2.125 177.593 175.800 -0.554 0.000 1.101 460 F CA 1.592 59.150 58.000 -0.737 0.000 1.436 460 F CB -1.677 36.903 39.000 -0.699 0.000 1.074 460 F HN 0.017 nan 8.300 nan 0.000 0.553 461 T N -2.831 111.490 114.554 -0.388 0.000 3.113 461 T HA 0.265 4.594 4.350 -0.034 0.000 0.256 461 T C 1.368 175.978 174.700 -0.149 0.000 1.131 461 T CA 0.413 62.377 62.100 -0.227 0.000 1.074 461 T CB -0.625 68.112 68.868 -0.219 0.000 0.944 461 T HN 0.162 nan 8.240 nan 0.000 0.516 462 G N 1.323 110.024 108.800 -0.165 0.000 2.531 462 G HA2 0.548 4.488 3.960 -0.034 0.000 0.253 462 G HA3 0.548 4.488 3.960 -0.034 0.000 0.253 462 G C -0.247 174.556 174.900 -0.162 0.000 1.439 462 G CA -0.041 45.004 45.100 -0.090 0.000 1.056 462 G HN 0.639 nan 8.290 nan 0.000 0.555 463 T N -3.874 110.601 114.554 -0.131 0.000 2.883 463 T HA 0.748 5.077 4.350 -0.034 0.000 0.296 463 T C -0.415 174.203 174.700 -0.137 0.000 1.117 463 T CA -0.095 61.914 62.100 -0.152 0.000 1.006 463 T CB 1.789 70.611 68.868 -0.077 0.000 1.191 463 T HN 1.293 nan 8.240 nan 0.000 0.508 464 A N 0.441 123.182 122.820 -0.131 0.000 2.350 464 A HA 0.785 5.084 4.320 -0.034 0.000 0.318 464 A C 1.134 178.743 177.584 0.042 0.000 1.132 464 A CA -0.226 51.787 52.037 -0.039 0.000 0.811 464 A CB 1.199 20.190 19.000 -0.014 0.000 1.313 464 A HN 1.308 nan 8.150 nan 0.000 0.454 465 T N -2.727 111.872 114.554 0.074 0.000 3.022 465 T HA 0.525 4.855 4.350 -0.034 0.000 0.250 465 T C 0.765 175.521 174.700 0.094 0.000 1.060 465 T CA 0.879 63.021 62.100 0.070 0.000 1.013 465 T CB -0.062 68.836 68.868 0.050 0.000 0.982 465 T HN 2.109 nan 8.240 nan 0.000 0.508 466 G N 1.452 110.335 108.800 0.138 0.000 2.321 466 G HA2 0.494 4.434 3.960 -0.034 0.000 0.296 466 G HA3 0.494 4.434 3.960 -0.034 0.000 0.296 466 G C -3.429 171.563 174.900 0.154 0.000 1.287 466 G CA -0.921 44.257 45.100 0.130 0.000 0.846 466 G HN 0.059 nan 8.290 nan 0.000 0.508 467 P HA 0.449 nan 4.420 nan 0.000 0.277 467 P C 0.169 177.481 177.300 0.021 0.000 1.240 467 P CA -0.340 62.770 63.100 0.016 0.000 0.798 467 P CB 1.774 33.470 31.700 -0.008 0.000 0.979 468 V N 2.318 122.219 119.914 -0.021 0.000 2.924 468 V HA 0.032 4.132 4.120 -0.034 0.000 0.305 468 V C 0.859 176.944 176.094 -0.016 0.000 1.073 468 V CA -0.323 61.971 62.300 -0.010 0.000 1.098 468 V CB 0.130 31.935 31.823 -0.030 0.000 1.000 468 V HN 0.519 nan 8.190 nan 0.000 0.484 469 K N 4.231 124.628 120.400 -0.005 0.000 2.395 469 K HA 0.284 4.584 4.320 -0.034 0.000 0.283 469 K C 0.250 176.852 176.600 0.003 0.000 1.068 469 K CA 0.352 56.643 56.287 0.006 0.000 1.039 469 K CB -0.036 32.479 32.500 0.026 0.000 0.924 469 K HN 0.893 nan 8.250 nan 0.000 0.468 470 G N 2.349 111.146 108.800 -0.005 0.000 2.477 470 G HA2 0.080 4.020 3.960 -0.034 0.000 0.304 470 G HA3 0.080 4.020 3.960 -0.034 0.000 0.304 470 G C 0.689 175.533 174.900 -0.093 0.000 1.175 470 G CA -0.600 44.490 45.100 -0.017 0.000 0.907 470 G HN 0.672 nan 8.290 nan 0.000 0.509 471 T N -0.135 114.308 114.554 -0.186 0.000 2.708 471 T HA -0.120 4.209 4.350 -0.034 0.000 0.266 471 T C 1.520 175.737 174.700 -0.805 0.000 1.037 471 T CA 1.752 63.518 62.100 -0.557 0.000 1.146 471 T CB -0.117 68.357 68.868 -0.657 0.000 0.865 471 T HN 0.685 nan 8.240 nan 0.000 0.435 472 W N 1.374 122.700 121.300 0.044 0.000 3.063 472 W HA 0.307 4.947 4.660 -0.032 0.000 0.246 472 W C 0.730 177.271 176.519 0.037 0.000 1.145 472 W CA -0.587 56.786 57.345 0.046 0.000 1.510 472 W CB 0.686 30.183 29.460 0.061 0.000 0.904 472 W HN 0.181 nan 8.180 nan 0.000 0.679 473 E N 0.782 121.108 120.200 0.210 0.000 2.367 473 E HA 0.286 4.616 4.350 -0.034 0.000 0.273 473 E C -0.679 175.958 176.600 0.061 0.000 0.903 473 E CA -1.045 55.427 56.400 0.120 0.000 0.764 473 E CB 0.819 30.586 29.700 0.112 0.000 1.252 473 E HN -0.273 nan 8.360 nan 0.000 0.446 474 N N 0.738 119.463 118.700 0.042 0.000 2.292 474 N HA 0.098 4.818 4.740 -0.034 0.000 0.258 474 N C 0.998 176.508 175.510 -0.001 0.000 1.261 474 N CA 1.898 54.959 53.050 0.020 0.000 0.845 474 N CB 0.771 39.273 38.487 0.024 0.000 1.064 474 N HN 0.957 nan 8.380 nan 0.000 0.471 475 G N 1.022 109.804 108.800 -0.031 0.000 2.195 475 G HA2 -0.252 3.688 3.960 -0.034 0.000 0.246 475 G HA3 -0.252 3.688 3.960 -0.034 0.000 0.246 475 G C 0.012 174.866 174.900 -0.076 0.000 0.984 475 G CA -0.105 44.939 45.100 -0.093 0.000 0.633 475 G HN 0.544 nan 8.290 nan 0.000 0.525 476 I N 0.462 121.029 120.570 -0.004 0.000 2.582 476 I HA 0.615 4.765 4.170 -0.034 0.000 0.292 476 I C -0.472 175.695 176.117 0.083 0.000 1.066 476 I CA -1.283 60.054 61.300 0.061 0.000 1.053 476 I CB 2.546 40.576 38.000 0.051 0.000 1.241 476 I HN -0.080 nan 8.210 nan 0.000 0.421 477 V N 4.034 124.026 119.914 0.130 0.000 2.638 477 V HA 0.325 4.425 4.120 -0.034 0.000 0.306 477 V C -0.652 175.533 176.094 0.152 0.000 1.052 477 V CA -0.870 61.491 62.300 0.101 0.000 0.885 477 V CB 1.980 33.849 31.823 0.077 0.000 0.999 477 V HN 0.582 nan 8.190 nan 0.000 0.424 478 D N 1.471 121.944 120.400 0.122 0.000 2.423 478 D HA 0.014 4.634 4.640 -0.034 0.000 0.238 478 D C 0.648 177.002 176.300 0.090 0.000 1.142 478 D CA 0.169 54.267 54.000 0.164 0.000 0.884 478 D CB 0.753 41.645 40.800 0.153 0.000 1.199 478 D HN 0.664 nan 8.370 nan 0.000 0.438 479 Y N 2.446 122.768 120.300 0.037 0.000 2.224 479 Y HA -0.204 4.326 4.550 -0.034 0.000 0.289 479 Y C 2.355 178.218 175.900 -0.061 0.000 1.146 479 Y CA 1.725 59.811 58.100 -0.022 0.000 1.182 479 Y CB 0.088 38.566 38.460 0.030 0.000 0.983 479 Y HN 0.382 nan 8.280 nan 0.000 0.524 480 R N 0.326 120.784 120.500 -0.070 0.000 2.096 480 R HA -0.285 4.035 4.340 -0.034 0.000 0.240 480 R C 2.442 178.565 176.300 -0.296 0.000 1.139 480 R CA 2.264 58.275 56.100 -0.148 0.000 0.952 480 R CB -0.460 29.838 30.300 -0.003 0.000 0.854 480 R HN 0.578 nan 8.270 nan 0.000 0.436 481 Q N 0.197 119.832 119.800 -0.276 0.000 2.172 481 Q HA -0.096 4.224 4.340 -0.034 0.000 0.200 481 Q C 2.113 177.755 176.000 -0.596 0.000 0.964 481 Q CA 1.316 56.873 55.803 -0.410 0.000 0.855 481 Q CB 0.013 28.556 28.738 -0.324 0.000 0.918 481 Q HN 0.469 nan 8.270 nan 0.000 0.444 482 I N 0.648 120.928 120.570 -0.484 0.000 2.127 482 I HA -0.295 3.855 4.170 -0.034 0.000 0.241 482 I C 2.457 178.223 176.117 -0.585 0.000 1.075 482 I CA 1.206 62.196 61.300 -0.516 0.000 1.334 482 I CB -0.512 37.055 38.000 -0.722 0.000 1.040 482 I HN 0.260 nan 8.210 nan 0.000 0.405 483 A N 0.844 123.242 122.820 -0.703 0.000 1.902 483 A HA -0.110 4.190 4.320 -0.034 0.000 0.217 483 A C 2.410 179.785 177.584 -0.348 0.000 1.181 483 A CA 1.929 53.670 52.037 -0.493 0.000 0.623 483 A CB -1.379 17.268 19.000 -0.587 0.000 0.818 483 A HN 0.488 nan 8.150 nan 0.000 0.443 484 G N -1.825 106.746 108.800 -0.381 0.000 2.448 484 G HA2 -0.009 3.931 3.960 -0.034 0.000 0.218 484 G HA3 -0.009 3.931 3.960 -0.034 0.000 0.218 484 G C 1.515 176.198 174.900 -0.362 0.000 1.135 484 G CA 1.020 45.936 45.100 -0.307 0.000 0.784 484 G HN 0.592 nan 8.290 nan 0.000 0.543 485 Q N -1.697 117.748 119.800 -0.592 0.000 2.313 485 Q HA 0.239 4.558 4.340 -0.034 0.000 0.263 485 Q C 0.545 176.154 176.000 -0.652 0.000 0.820 485 Q CA -0.121 55.267 55.803 -0.690 0.000 0.974 485 Q CB 0.698 28.769 28.738 -1.111 0.000 1.156 485 Q HN 0.421 nan 8.270 nan 0.000 0.517 486 F N -0.225 119.404 119.950 -0.535 0.000 2.708 486 F HA 0.370 4.878 4.527 -0.032 0.000 0.300 486 F C 0.585 176.014 175.800 -0.618 0.000 1.118 486 F CA 0.161 57.527 58.000 -1.056 0.000 1.307 486 F CB 0.458 38.556 39.000 -1.504 0.000 0.986 486 F HN -0.055 nan 8.300 nan 0.000 0.522 487 M N 0.282 119.806 119.600 -0.127 0.000 2.963 487 M HA 0.250 4.710 4.480 -0.034 0.000 0.350 487 M C -0.064 176.290 176.300 0.090 0.000 1.253 487 M CA -0.101 55.247 55.300 0.079 0.000 0.856 487 M CB 0.395 33.042 32.600 0.078 0.000 1.356 487 M HN 0.082 nan 8.290 nan 0.000 0.510 488 S N -2.017 113.769 115.700 0.142 0.000 2.643 488 S HA 0.931 5.380 4.470 -0.034 0.000 0.270 488 S C 0.209 174.967 174.600 0.264 0.000 1.166 488 S CA -0.061 58.231 58.200 0.153 0.000 0.815 488 S CB 1.505 64.749 63.200 0.074 0.000 1.139 488 S HN 0.619 nan 8.310 nan 0.000 0.472 489 G N 1.541 110.447 108.800 0.175 0.000 2.561 489 G HA2 -0.319 3.621 3.960 -0.034 0.000 0.289 489 G HA3 -0.319 3.621 3.960 -0.034 0.000 0.289 489 G C 0.512 175.493 174.900 0.136 0.000 1.169 489 G CA 0.629 45.823 45.100 0.156 0.000 0.980 489 G HN 1.083 nan 8.290 nan 0.000 0.550 490 E N 0.007 120.251 120.200 0.072 0.000 2.478 490 E HA 0.059 4.388 4.350 -0.034 0.000 0.194 490 E C 0.172 176.736 176.600 -0.060 0.000 1.045 490 E CA -0.373 55.993 56.400 -0.056 0.000 0.868 490 E CB 0.092 29.667 29.700 -0.209 0.000 0.885 490 E HN 0.406 nan 8.360 nan 0.000 0.505 491 W N 2.456 123.770 121.300 0.024 0.000 2.381 491 W HA 0.069 4.714 4.660 -0.026 0.000 0.321 491 W C 0.307 176.877 176.519 0.085 0.000 1.407 491 W CA -0.263 57.105 57.345 0.039 0.000 1.274 491 W CB 0.359 29.878 29.460 0.097 0.000 1.310 491 W HN -0.020 nan 8.180 nan 0.000 0.551 492 Q N 2.426 122.401 119.800 0.291 0.000 2.340 492 Q HA 0.187 4.507 4.340 -0.034 0.000 0.249 492 Q C -1.121 175.070 176.000 0.319 0.000 0.957 492 Q CA -0.428 55.533 55.803 0.262 0.000 0.882 492 Q CB 1.044 29.914 28.738 0.220 0.000 1.235 492 Q HN 0.461 nan 8.270 nan 0.000 0.439 493 Y N 0.765 121.153 120.300 0.147 0.000 2.376 493 Y HA 0.357 4.886 4.550 -0.034 0.000 0.340 493 Y C -0.970 174.924 175.900 -0.009 0.000 0.965 493 Y CA -0.380 57.791 58.100 0.118 0.000 1.078 493 Y CB 1.902 40.452 38.460 0.150 0.000 1.193 493 Y HN 0.524 nan 8.280 nan 0.000 0.452 494 T N 5.886 120.354 114.554 -0.144 0.000 2.881 494 T HA 0.209 4.538 4.350 -0.034 0.000 0.290 494 T C -1.920 172.728 174.700 -0.087 0.000 1.000 494 T CA -0.532 61.463 62.100 -0.175 0.000 0.978 494 T CB 0.762 69.287 68.868 -0.572 0.000 0.997 494 T HN 0.467 nan 8.240 nan 0.000 0.443 495 Y N 3.180 123.518 120.300 0.064 0.000 2.385 495 Y HA 0.338 4.868 4.550 -0.034 0.000 0.341 495 Y C 0.046 176.007 175.900 0.102 0.000 0.965 495 Y CA -0.987 57.164 58.100 0.085 0.000 1.180 495 Y CB 0.549 39.081 38.460 0.121 0.000 1.139 495 Y HN 0.526 nan 8.280 nan 0.000 0.502 496 D N 4.877 125.113 120.400 -0.274 0.000 2.338 496 D HA 0.165 4.785 4.640 -0.034 0.000 0.255 496 D C 0.478 176.585 176.300 -0.323 0.000 1.237 496 D CA 0.332 54.276 54.000 -0.092 0.000 0.883 496 D CB 1.448 42.325 40.800 0.129 0.000 1.087 496 D HN 0.751 nan 8.370 nan 0.000 0.485 497 A N 3.229 126.056 122.820 0.012 0.000 2.178 497 A HA -0.004 4.296 4.320 -0.034 0.000 0.211 497 A C 1.937 179.535 177.584 0.025 0.000 1.157 497 A CA 0.605 52.723 52.037 0.135 0.000 0.780 497 A CB 0.073 19.208 19.000 0.225 0.000 0.828 497 A HN 0.581 nan 8.150 nan 0.000 0.476 498 T N 0.033 114.565 114.554 -0.036 0.000 2.770 498 T HA 0.083 4.413 4.350 -0.034 0.000 0.258 498 T C 2.277 176.886 174.700 -0.153 0.000 1.039 498 T CA 1.347 63.400 62.100 -0.080 0.000 1.143 498 T CB -0.303 68.508 68.868 -0.096 0.000 0.866 498 T HN 0.505 nan 8.240 nan 0.000 0.428 499 A N 0.786 123.466 122.820 -0.234 0.000 2.014 499 A HA 0.013 4.313 4.320 -0.034 0.000 0.218 499 A C 0.566 177.970 177.584 -0.300 0.000 1.163 499 A CA 0.713 52.567 52.037 -0.305 0.000 0.652 499 A CB -0.159 18.576 19.000 -0.441 0.000 0.808 499 A HN 0.491 nan 8.150 nan 0.000 0.449 500 E N -1.795 118.218 120.200 -0.311 0.000 2.313 500 E HA -0.141 4.189 4.350 -0.034 0.000 0.190 500 E C -0.274 176.069 176.600 -0.427 0.000 1.406 500 E CA 0.869 57.119 56.400 -0.249 0.000 0.668 500 E CB -2.231 27.450 29.700 -0.032 0.000 1.135 500 E HN 1.339 nan 8.360 nan 0.000 0.375 501 A N 1.416 123.714 122.820 -0.870 0.000 2.512 501 A HA 0.660 4.960 4.320 -0.034 0.000 0.294 501 A C -2.828 174.333 177.584 -0.704 0.000 1.054 501 A CA -1.101 50.498 52.037 -0.730 0.000 0.756 501 A CB 2.055 20.451 19.000 -1.007 0.000 1.293 501 A HN 0.016 nan 8.150 nan 0.000 0.395 502 P HA 0.693 nan 4.420 nan 0.000 0.287 502 P C -1.558 175.539 177.300 -0.338 0.000 1.270 502 P CA -0.162 62.691 63.100 -0.413 0.000 0.844 502 P CB 0.964 32.339 31.700 -0.540 0.000 1.068 503 Y N -0.802 119.342 120.300 -0.259 0.000 2.558 503 Y HA 0.614 5.143 4.550 -0.036 0.000 0.333 503 Y C -1.272 174.698 175.900 0.118 0.000 1.125 503 Y CA -1.651 56.507 58.100 0.097 0.000 1.039 503 Y CB 0.721 39.400 38.460 0.365 0.000 1.331 503 Y HN 0.317 nan 8.280 nan 0.000 0.456 504 V N 0.556 120.720 119.914 0.417 0.000 2.628 504 V HA 0.828 4.928 4.120 -0.034 0.000 0.306 504 V C -1.549 174.913 176.094 0.613 0.000 1.045 504 V CA -0.916 61.600 62.300 0.360 0.000 0.905 504 V CB 1.958 33.926 31.823 0.242 0.000 0.997 504 V HN 0.919 nan 8.190 nan 0.000 0.436 505 F N 2.977 123.157 119.950 0.383 0.000 2.573 505 F HA 0.661 5.163 4.527 -0.042 0.000 0.316 505 F C -0.481 175.290 175.800 -0.049 0.000 1.148 505 F CA -1.049 57.046 58.000 0.159 0.000 0.940 505 F CB 2.138 41.149 39.000 0.019 0.000 1.214 505 F HN 0.719 nan 8.300 nan 0.000 0.448 506 K N 8.324 128.076 120.400 -1.080 0.000 2.404 506 K HA 0.436 4.736 4.320 -0.034 0.000 0.257 506 K C -2.235 173.613 176.600 -1.254 0.000 1.026 506 K CA -1.981 53.557 56.287 -1.248 0.000 0.951 506 K CB 1.546 32.995 32.500 -1.752 0.000 1.203 506 K HN 0.268 nan 8.250 nan 0.000 0.446 507 P HA -0.176 nan 4.420 nan 0.000 0.218 507 P C 0.926 178.006 177.300 -0.367 0.000 1.149 507 P CA 1.090 63.795 63.100 -0.658 0.000 0.817 507 P CB 0.253 31.830 31.700 -0.205 0.000 0.785 508 S N -1.329 114.164 115.700 -0.345 0.000 2.406 508 S HA -0.092 4.358 4.470 -0.034 0.000 0.228 508 S C 1.749 176.225 174.600 -0.207 0.000 1.020 508 S CA 1.772 59.839 58.200 -0.222 0.000 0.965 508 S CB -1.806 61.274 63.200 -0.200 0.000 0.798 508 S HN 0.276 nan 8.310 nan 0.000 0.488 509 T N -3.156 111.224 114.554 -0.291 0.000 2.990 509 T HA 0.518 4.848 4.350 -0.034 0.000 0.250 509 T C 1.493 176.089 174.700 -0.174 0.000 1.041 509 T CA 0.412 62.386 62.100 -0.210 0.000 1.010 509 T CB -0.088 68.641 68.868 -0.232 0.000 1.003 509 T HN 1.187 nan 8.240 nan 0.000 0.499 510 G N 2.166 110.802 108.800 -0.272 0.000 2.198 510 G HA2 -0.180 3.760 3.960 -0.034 0.000 0.257 510 G HA3 -0.180 3.760 3.960 -0.034 0.000 0.257 510 G C -0.595 174.279 174.900 -0.042 0.000 1.042 510 G CA -0.143 44.889 45.100 -0.112 0.000 0.791 510 G HN 0.550 nan 8.290 nan 0.000 0.502 511 D N -0.221 120.030 120.400 -0.249 0.000 2.348 511 D HA 0.466 5.086 4.640 -0.034 0.000 0.253 511 D C 0.222 176.615 176.300 0.156 0.000 1.161 511 D CA 0.159 54.125 54.000 -0.056 0.000 0.876 511 D CB 1.766 42.465 40.800 -0.168 0.000 1.160 511 D HN 0.266 nan 8.370 nan 0.000 0.459 512 L N 3.993 125.430 121.223 0.355 0.000 2.381 512 L HA 0.517 4.837 4.340 -0.034 0.000 0.274 512 L C -1.335 175.778 176.870 0.405 0.000 0.988 512 L CA -0.468 54.639 54.840 0.445 0.000 0.824 512 L CB 1.381 43.600 42.059 0.266 0.000 1.263 512 L HN 0.283 nan 8.230 nan 0.000 0.410 513 I N 3.548 124.349 120.570 0.386 0.000 2.466 513 I HA 0.424 4.574 4.170 -0.034 0.000 0.289 513 I C -0.422 176.009 176.117 0.524 0.000 1.026 513 I CA -0.501 60.981 61.300 0.304 0.000 1.078 513 I CB 2.290 40.344 38.000 0.091 0.000 1.249 513 I HN 0.597 nan 8.210 nan 0.000 0.429 514 T N 6.487 121.334 114.554 0.489 0.000 2.807 514 T HA 0.800 5.130 4.350 -0.034 0.000 0.279 514 T C -0.880 174.088 174.700 0.448 0.000 0.993 514 T CA -0.310 62.110 62.100 0.533 0.000 0.970 514 T CB 0.584 69.786 68.868 0.557 0.000 0.950 514 T HN 0.437 nan 8.240 nan 0.000 0.441 515 F N 1.075 121.116 119.950 0.153 0.000 2.779 515 F HA 0.728 5.234 4.527 -0.035 0.000 0.316 515 F C -1.187 174.645 175.800 0.053 0.000 1.164 515 F CA -1.404 56.633 58.000 0.062 0.000 0.924 515 F CB 0.461 39.534 39.000 0.122 0.000 1.348 515 F HN 0.268 nan 8.300 nan 0.000 0.467 516 D N 1.042 121.494 120.400 0.087 0.000 2.193 516 D HA 0.394 5.014 4.640 -0.034 0.000 0.249 516 D C -0.985 175.383 176.300 0.115 0.000 1.034 516 D CA 0.284 54.273 54.000 -0.018 0.000 0.902 516 D CB 1.741 42.505 40.800 -0.059 0.000 1.182 516 D HN 0.716 nan 8.370 nan 0.000 0.436 517 D N -1.118 119.330 120.400 0.081 0.000 2.714 517 D HA 0.405 5.025 4.640 -0.034 0.000 0.278 517 D C 0.610 176.947 176.300 0.061 0.000 1.102 517 D CA -0.713 53.400 54.000 0.188 0.000 1.108 517 D CB 0.318 41.400 40.800 0.471 0.000 1.444 517 D HN 0.196 nan 8.370 nan 0.000 0.568 518 A N -0.244 122.617 122.820 0.067 0.000 1.940 518 A HA -0.200 4.100 4.320 -0.034 0.000 0.219 518 A C 2.168 179.752 177.584 0.001 0.000 1.176 518 A CA 2.126 54.170 52.037 0.011 0.000 0.631 518 A CB -0.779 18.236 19.000 0.025 0.000 0.814 518 A HN 0.585 nan 8.150 nan 0.000 0.446 519 R N 0.123 120.617 120.500 -0.010 0.000 2.073 519 R HA -0.114 4.206 4.340 -0.034 0.000 0.229 519 R C 2.477 178.790 176.300 0.020 0.000 1.120 519 R CA 1.838 57.874 56.100 -0.107 0.000 0.967 519 R CB -0.251 29.780 30.300 -0.447 0.000 0.862 519 R HN 0.665 nan 8.270 nan 0.000 0.436 520 S N -0.476 115.334 115.700 0.184 0.000 2.387 520 S HA -0.065 4.385 4.470 -0.034 0.000 0.226 520 S C 2.027 176.668 174.600 0.069 0.000 1.026 520 S CA 1.091 59.408 58.200 0.196 0.000 0.972 520 S CB -0.373 62.907 63.200 0.133 0.000 0.814 520 S HN 0.132 nan 8.310 nan 0.000 0.477 521 V N 2.427 122.358 119.914 0.029 0.000 2.332 521 V HA -0.234 3.866 4.120 -0.034 0.000 0.248 521 V C 2.976 179.078 176.094 0.013 0.000 1.055 521 V CA 2.269 64.569 62.300 0.001 0.000 1.038 521 V CB -1.050 30.751 31.823 -0.038 0.000 0.651 521 V HN 0.620 nan 8.190 nan 0.000 0.450 522 Q N -0.061 119.744 119.800 0.009 0.000 2.096 522 Q HA -0.245 4.074 4.340 -0.034 0.000 0.204 522 Q C 2.268 178.290 176.000 0.037 0.000 0.982 522 Q CA 2.118 57.927 55.803 0.011 0.000 0.850 522 Q CB -0.296 28.437 28.738 -0.008 0.000 0.901 522 Q HN 0.634 nan 8.270 nan 0.000 0.422 523 A N 1.046 123.897 122.820 0.051 0.000 1.908 523 A HA -0.226 4.074 4.320 -0.034 0.000 0.218 523 A C 1.969 179.608 177.584 0.091 0.000 1.181 523 A CA 1.794 53.873 52.037 0.070 0.000 0.627 523 A CB -0.416 18.632 19.000 0.080 0.000 0.818 523 A HN 0.369 nan 8.150 nan 0.000 0.445 524 K N -0.850 119.599 120.400 0.080 0.000 2.057 524 K HA -0.094 4.206 4.320 -0.034 0.000 0.207 524 K C 2.138 178.842 176.600 0.173 0.000 1.049 524 K CA 1.081 57.447 56.287 0.131 0.000 0.931 524 K CB -0.431 32.119 32.500 0.084 0.000 0.714 524 K HN 0.478 nan 8.250 nan 0.000 0.440 525 G N 1.855 110.715 108.800 0.100 0.000 2.421 525 G HA2 -0.296 3.644 3.960 -0.034 0.000 0.216 525 G HA3 -0.296 3.644 3.960 -0.034 0.000 0.216 525 G C 1.415 176.361 174.900 0.078 0.000 1.171 525 G CA 0.836 45.980 45.100 0.074 0.000 0.775 525 G HN 0.241 nan 8.290 nan 0.000 0.543 526 K N -0.609 119.841 120.400 0.083 0.000 2.063 526 K HA -0.209 4.090 4.320 -0.034 0.000 0.208 526 K C 2.194 178.860 176.600 0.111 0.000 1.048 526 K CA 1.482 57.818 56.287 0.081 0.000 0.928 526 K CB -0.413 32.133 32.500 0.076 0.000 0.713 526 K HN 0.352 nan 8.250 nan 0.000 0.442 527 Y N 1.277 121.590 120.300 0.021 0.000 2.145 527 Y HA -0.228 4.302 4.550 -0.033 0.000 0.286 527 Y C 1.886 177.801 175.900 0.026 0.000 1.145 527 Y CA 1.517 59.631 58.100 0.022 0.000 1.148 527 Y CB -0.446 38.029 38.460 0.025 0.000 0.981 527 Y HN -0.137 nan 8.280 nan 0.000 0.507 528 V N 0.778 120.679 119.914 -0.021 0.000 2.287 528 V HA -0.362 3.738 4.120 -0.034 0.000 0.248 528 V C 2.539 178.574 176.094 -0.099 0.000 1.053 528 V CA 2.261 64.499 62.300 -0.104 0.000 1.027 528 V CB -0.857 30.981 31.823 0.024 0.000 0.646 528 V HN 0.480 nan 8.190 nan 0.000 0.447 529 L N -0.451 120.752 121.223 -0.034 0.000 2.046 529 L HA -0.181 4.139 4.340 -0.034 0.000 0.208 529 L C 2.397 179.239 176.870 -0.046 0.000 1.077 529 L CA 1.599 56.424 54.840 -0.025 0.000 0.747 529 L CB -0.835 41.226 42.059 0.003 0.000 0.896 529 L HN 0.330 nan 8.230 nan 0.000 0.432 530 D N 0.204 120.573 120.400 -0.052 0.000 2.123 530 D HA -0.142 4.478 4.640 -0.034 0.000 0.196 530 D C 1.921 178.161 176.300 -0.100 0.000 0.992 530 D CA 1.205 55.174 54.000 -0.052 0.000 0.833 530 D CB -0.005 40.786 40.800 -0.014 0.000 0.954 530 D HN 0.097 nan 8.370 nan 0.000 0.455 531 K N 0.386 120.660 120.400 -0.209 0.000 2.404 531 K HA 0.126 4.426 4.320 -0.034 0.000 0.194 531 K C 0.165 176.673 176.600 -0.154 0.000 1.023 531 K CA -0.043 56.110 56.287 -0.223 0.000 1.094 531 K CB 0.317 32.555 32.500 -0.437 0.000 0.841 531 K HN 0.232 nan 8.250 nan 0.000 0.523 532 Q N 0.496 120.228 119.800 -0.113 0.000 2.487 532 Q HA -0.184 4.136 4.340 -0.034 0.000 0.279 532 Q C -0.400 175.565 176.000 -0.059 0.000 1.228 532 Q CA 0.287 56.052 55.803 -0.064 0.000 0.873 532 Q CB -1.917 26.795 28.738 -0.043 0.000 1.260 532 Q HN 0.289 nan 8.270 nan 0.000 0.471 533 L N -1.838 119.335 121.223 -0.083 0.000 2.505 533 L HA 0.292 4.612 4.340 -0.034 0.000 0.226 533 L C 1.787 178.658 176.870 0.001 0.000 1.211 533 L CA 0.573 55.385 54.840 -0.048 0.000 0.828 533 L CB 0.061 42.077 42.059 -0.073 0.000 1.331 533 L HN 0.262 nan 8.230 nan 0.000 0.513 534 G N -1.592 107.227 108.800 0.032 0.000 2.603 534 G HA2 0.442 4.382 3.960 -0.034 0.000 0.214 534 G HA3 0.442 4.382 3.960 -0.034 0.000 0.214 534 G C 0.448 175.388 174.900 0.068 0.000 1.140 534 G CA 0.691 45.827 45.100 0.061 0.000 0.800 534 G HN 0.932 nan 8.290 nan 0.000 0.533 535 G N -1.099 107.751 108.800 0.082 0.000 2.356 535 G HA2 0.303 4.243 3.960 -0.034 0.000 0.266 535 G HA3 0.303 4.243 3.960 -0.034 0.000 0.266 535 G C -1.819 173.173 174.900 0.153 0.000 1.312 535 G CA -0.894 44.265 45.100 0.098 0.000 0.922 535 G HN 0.366 nan 8.290 nan 0.000 0.480 536 L N 0.365 121.690 121.223 0.170 0.000 2.370 536 L HA 0.855 5.174 4.340 -0.034 0.000 0.266 536 L C -0.463 176.586 176.870 0.300 0.000 1.002 536 L CA -0.959 54.001 54.840 0.200 0.000 0.818 536 L CB 2.094 44.209 42.059 0.093 0.000 1.325 536 L HN 0.808 nan 8.230 nan 0.000 0.418 537 F N 0.133 120.189 119.950 0.176 0.000 2.640 537 F HA 0.912 5.420 4.527 -0.033 0.000 0.324 537 F C -0.639 175.285 175.800 0.205 0.000 1.077 537 F CA -0.917 57.172 58.000 0.149 0.000 0.965 537 F CB 1.771 40.825 39.000 0.090 0.000 1.351 537 F HN 0.397 nan 8.300 nan 0.000 0.487 538 S N 0.731 116.456 115.700 0.041 0.000 2.569 538 S HA 0.540 4.990 4.470 -0.034 0.000 0.280 538 S C -2.069 172.698 174.600 0.278 0.000 1.111 538 S CA -0.627 57.571 58.200 -0.004 0.000 0.887 538 S CB 1.995 65.194 63.200 -0.002 0.000 1.095 538 S HN 1.112 nan 8.310 nan 0.000 0.476 539 W N 3.108 124.406 121.300 -0.003 0.000 2.656 539 W HA 0.500 5.139 4.660 -0.034 0.000 0.327 539 W C -1.219 175.321 176.519 0.035 0.000 1.041 539 W CA -0.523 56.832 57.345 0.017 0.000 1.229 539 W CB 1.810 31.177 29.460 -0.154 0.000 1.397 539 W HN 1.055 nan 8.180 nan 0.000 0.479 540 E N 4.046 124.031 120.200 -0.358 0.000 2.288 540 E HA 0.259 4.589 4.350 -0.034 0.000 0.268 540 E C 0.209 176.534 176.600 -0.458 0.000 0.885 540 E CA -0.840 55.086 56.400 -0.791 0.000 0.767 540 E CB 2.603 31.436 29.700 -1.445 0.000 1.220 540 E HN 0.279 nan 8.360 nan 0.000 0.427 541 I N 2.235 122.562 120.570 -0.406 0.000 2.335 541 I HA -0.272 3.878 4.170 -0.034 0.000 0.251 541 I C 1.783 177.514 176.117 -0.643 0.000 1.129 541 I CA 1.903 63.011 61.300 -0.320 0.000 1.402 541 I CB -0.474 37.458 38.000 -0.113 0.000 1.069 541 I HN 0.773 nan 8.210 nan 0.000 0.424 542 D N 0.408 120.199 120.400 -1.015 0.000 2.218 542 D HA -0.183 4.437 4.640 -0.034 0.000 0.204 542 D C 1.763 177.646 176.300 -0.695 0.000 0.976 542 D CA 1.232 54.287 54.000 -1.574 0.000 0.853 542 D CB -0.215 39.890 40.800 -1.158 0.000 0.939 542 D HN 0.459 nan 8.370 nan 0.000 0.481 543 A N 0.310 122.921 122.820 -0.348 0.000 2.218 543 A HA 0.020 4.320 4.320 -0.034 0.000 0.209 543 A C 0.786 178.393 177.584 0.038 0.000 1.168 543 A CA -0.003 51.996 52.037 -0.063 0.000 0.804 543 A CB -0.044 18.980 19.000 0.040 0.000 0.834 543 A HN 0.102 nan 8.150 nan 0.000 0.482 544 D N 0.178 120.567 120.400 -0.018 0.000 2.313 544 D HA 0.159 4.779 4.640 -0.034 0.000 0.247 544 D C 0.769 177.155 176.300 0.144 0.000 1.094 544 D CA -0.077 53.982 54.000 0.098 0.000 0.925 544 D CB 0.669 41.475 40.800 0.010 0.000 1.188 544 D HN 0.280 nan 8.370 nan 0.000 0.430 545 N N 1.815 120.660 118.700 0.241 0.000 2.280 545 N HA 0.159 4.878 4.740 -0.034 0.000 0.192 545 N C 1.147 176.749 175.510 0.153 0.000 1.109 545 N CA 0.565 53.722 53.050 0.177 0.000 0.855 545 N CB 0.826 39.408 38.487 0.158 0.000 0.974 545 N HN 0.551 nan 8.380 nan 0.000 0.482 546 G N 0.123 109.004 108.800 0.134 0.000 2.352 546 G HA2 -0.257 3.683 3.960 -0.034 0.000 0.204 546 G HA3 -0.257 3.683 3.960 -0.034 0.000 0.204 546 G C 0.620 175.569 174.900 0.082 0.000 1.004 546 G CA 0.232 45.395 45.100 0.105 0.000 0.648 546 G HN 0.279 nan 8.290 nan 0.000 0.491 547 D N 0.906 121.368 120.400 0.104 0.000 2.123 547 D HA -0.045 4.575 4.640 -0.034 0.000 0.196 547 D C 2.577 178.839 176.300 -0.063 0.000 0.992 547 D CA 1.179 55.215 54.000 0.060 0.000 0.833 547 D CB -0.027 40.866 40.800 0.154 0.000 0.954 547 D HN 0.400 nan 8.370 nan 0.000 0.455 548 I N 0.374 120.839 120.570 -0.176 0.000 2.193 548 I HA -0.153 3.997 4.170 -0.034 0.000 0.240 548 I C 2.408 178.458 176.117 -0.111 0.000 1.084 548 I CA 0.540 61.715 61.300 -0.208 0.000 1.365 548 I CB -1.039 36.787 38.000 -0.289 0.000 1.064 548 I HN 0.044 nan 8.210 nan 0.000 0.410 549 L N 1.509 122.690 121.223 -0.070 0.000 2.141 549 L HA -0.127 4.193 4.340 -0.034 0.000 0.209 549 L C 2.088 178.905 176.870 -0.090 0.000 1.094 549 L CA 1.634 56.440 54.840 -0.056 0.000 0.763 549 L CB -0.904 41.149 42.059 -0.011 0.000 0.908 549 L HN 0.181 nan 8.230 nan 0.000 0.437 550 N N -0.888 117.789 118.700 -0.038 0.000 2.069 550 N HA -0.200 4.519 4.740 -0.034 0.000 0.191 550 N C 2.073 177.471 175.510 -0.187 0.000 1.031 550 N CA 1.593 54.616 53.050 -0.045 0.000 0.852 550 N CB -0.541 38.019 38.487 0.122 0.000 1.018 550 N HN 0.400 nan 8.380 nan 0.000 0.423 551 S N 0.220 115.857 115.700 -0.104 0.000 2.383 551 S HA 0.037 4.487 4.470 -0.034 0.000 0.227 551 S C 1.961 176.485 174.600 -0.126 0.000 1.026 551 S CA 0.648 58.791 58.200 -0.096 0.000 0.981 551 S CB -0.063 63.104 63.200 -0.055 0.000 0.818 551 S HN 0.193 nan 8.310 nan 0.000 0.472 552 M N 1.461 120.985 119.600 -0.126 0.000 2.082 552 M HA -0.152 4.308 4.480 -0.034 0.000 0.258 552 M C 2.160 178.366 176.300 -0.156 0.000 1.069 552 M CA 1.624 56.861 55.300 -0.104 0.000 1.102 552 M CB -0.578 31.977 32.600 -0.076 0.000 1.336 552 M HN 0.371 nan 8.290 nan 0.000 0.404 553 N N 0.243 118.760 118.700 -0.305 0.000 2.106 553 N HA -0.098 4.622 4.740 -0.034 0.000 0.188 553 N C 1.758 177.015 175.510 -0.421 0.000 1.029 553 N CA 1.719 54.497 53.050 -0.453 0.000 0.848 553 N CB -0.190 37.745 38.487 -0.920 0.000 1.007 553 N HN 0.326 nan 8.380 nan 0.000 0.423 554 A N 1.136 123.671 122.820 -0.474 0.000 1.902 554 A HA -0.137 4.162 4.320 -0.034 0.000 0.217 554 A C 2.403 179.952 177.584 -0.058 0.000 1.181 554 A CA 2.102 54.047 52.037 -0.153 0.000 0.623 554 A CB -0.722 18.257 19.000 -0.035 0.000 0.818 554 A HN 0.474 nan 8.150 nan 0.000 0.443 555 S N -0.399 115.262 115.700 -0.066 0.000 2.453 555 S HA 0.055 4.505 4.470 -0.034 0.000 0.231 555 S C 1.543 176.141 174.600 -0.005 0.000 1.005 555 S CA 1.103 59.291 58.200 -0.019 0.000 0.949 555 S CB -0.478 62.715 63.200 -0.012 0.000 0.774 555 S HN 0.424 nan 8.310 nan 0.000 0.510 556 L N 0.864 122.075 121.223 -0.019 0.000 2.591 556 L HA 0.320 4.639 4.340 -0.034 0.000 0.228 556 L C 1.779 178.656 176.870 0.012 0.000 1.133 556 L CA 0.410 55.251 54.840 0.002 0.000 0.880 556 L CB -0.465 41.595 42.059 0.002 0.000 1.033 556 L HN 0.621 nan 8.230 nan 0.000 0.450 557 G N -0.310 108.498 108.800 0.013 0.000 2.141 557 G HA2 -0.236 3.704 3.960 -0.034 0.000 0.231 557 G HA3 -0.236 3.704 3.960 -0.034 0.000 0.231 557 G C 0.008 174.942 174.900 0.058 0.000 0.984 557 G CA -0.413 44.709 45.100 0.037 0.000 0.660 557 G HN 0.311 nan 8.290 nan 0.000 0.525 558 N N 1.102 119.838 118.700 0.060 0.000 2.492 558 N HA 0.417 5.136 4.740 -0.034 0.000 0.262 558 N C 0.413 176.058 175.510 0.224 0.000 1.202 558 N CA 0.389 53.511 53.050 0.121 0.000 0.926 558 N CB 1.060 39.609 38.487 0.103 0.000 1.078 558 N HN 0.266 nan 8.380 nan 0.000 0.454 559 S N 0.886 116.690 115.700 0.174 0.000 2.528 559 S HA 0.362 4.812 4.470 -0.034 0.000 0.277 559 S C 0.459 175.124 174.600 0.107 0.000 1.297 559 S CA -0.910 57.370 58.200 0.134 0.000 1.052 559 S CB 0.779 64.019 63.200 0.066 0.000 0.917 559 S HN 0.656 nan 8.310 nan 0.000 0.492 560 A N 2.802 125.612 122.820 -0.016 0.000 2.587 560 A HA 0.504 4.804 4.320 -0.034 0.000 0.233 560 A C 1.145 178.627 177.584 -0.171 0.000 1.049 560 A CA 0.708 52.569 52.037 -0.295 0.000 0.754 560 A CB -0.887 17.973 19.000 -0.234 0.000 0.977 560 A HN 1.657 nan 8.150 nan 0.000 0.509 561 G N -0.896 107.780 108.800 -0.207 0.000 2.318 561 G HA2 0.364 4.304 3.960 -0.034 0.000 0.367 561 G HA3 0.364 4.304 3.960 -0.034 0.000 0.367 561 G C -0.620 174.247 174.900 -0.055 0.000 1.260 561 G CA -0.087 44.950 45.100 -0.103 0.000 1.055 561 G HN 2.117 nan 8.290 nan 0.000 0.484 562 V N 0.019 119.919 119.914 -0.024 0.000 2.864 562 V HA 0.833 4.933 4.120 -0.034 0.000 0.314 562 V C 0.208 176.308 176.094 0.010 0.000 1.073 562 V CA -0.227 62.074 62.300 0.002 0.000 0.956 562 V CB 1.807 33.630 31.823 0.000 0.000 1.023 562 V HN 1.086 nan 8.190 nan 0.000 0.435 563 Q N 0.000 119.814 119.800 0.023 0.000 2.315 563 Q HA 0.000 4.320 4.340 -0.034 0.000 0.214 563 Q CA 0.000 55.814 55.803 0.018 0.000 1.022 563 Q CB 0.000 28.753 28.738 0.025 0.000 1.108 563 Q HN 0.000 nan 8.270 nan 0.000 0.481