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 1dv2_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIKMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGLQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.300 176.300 -0.000 0.000 1.140 1 M CA 0.000 55.298 55.300 -0.003 0.000 0.988 1 M CB 0.000 32.600 32.600 -0.001 0.000 1.302 2 L N 1.396 122.620 121.223 0.002 0.000 2.305 2 L HA 0.191 4.531 4.340 0.001 0.000 0.281 2 L C 0.691 177.569 176.870 0.014 0.000 1.085 2 L CA -0.112 54.734 54.840 0.009 0.000 0.813 2 L CB 0.660 42.724 42.059 0.009 0.000 1.157 2 L HN 0.667 nan 8.230 nan 0.000 0.436 3 D N 1.774 122.185 120.400 0.019 0.000 2.077 3 D HA -0.069 4.571 4.640 0.001 0.000 0.196 3 D C 0.503 176.819 176.300 0.026 0.000 0.986 3 D CA 1.443 55.455 54.000 0.020 0.000 0.829 3 D CB 0.399 41.210 40.800 0.019 0.000 0.983 3 D HN 0.414 nan 8.370 nan 0.000 0.453 4 K N -0.106 120.317 120.400 0.038 0.000 2.498 4 K HA 0.391 4.711 4.320 0.001 0.000 0.254 4 K C -1.383 175.248 176.600 0.052 0.000 0.933 4 K CA -0.787 55.525 56.287 0.041 0.000 0.806 4 K CB 1.747 34.273 32.500 0.042 0.000 1.301 4 K HN 0.197 nan 8.250 nan 0.000 0.432 5 I N -0.057 120.537 120.570 0.041 0.000 3.002 5 I HA 0.543 4.713 4.170 0.001 0.000 0.310 5 I C -1.323 174.812 176.117 0.029 0.000 1.087 5 I CA -1.095 60.229 61.300 0.039 0.000 1.017 5 I CB 2.333 40.355 38.000 0.037 0.000 1.226 5 I HN 0.262 nan 8.210 nan 0.000 0.443 6 V N 5.228 125.151 119.914 0.014 0.000 2.370 6 V HA 0.348 4.468 4.120 0.001 0.000 0.279 6 V C 0.211 176.324 176.094 0.032 0.000 1.029 6 V CA -0.306 61.999 62.300 0.009 0.000 0.870 6 V CB 1.142 32.944 31.823 -0.036 0.000 0.984 6 V HN 0.491 nan 8.190 nan 0.000 0.451 7 I N 4.807 125.397 120.570 0.033 0.000 2.260 7 I HA 0.274 4.445 4.170 0.001 0.000 0.297 7 I C 1.033 177.148 176.117 -0.003 0.000 1.143 7 I CA 0.152 61.450 61.300 -0.003 0.000 1.271 7 I CB 0.894 38.872 38.000 -0.037 0.000 1.461 7 I HN 0.692 nan 8.210 nan 0.000 0.530 8 A N 6.328 129.155 122.820 0.013 0.000 3.091 8 A HA 0.360 4.681 4.320 0.001 0.000 0.264 8 A C 0.199 177.723 177.584 -0.101 0.000 1.673 8 A CA 0.085 52.127 52.037 0.008 0.000 1.362 8 A CB -0.568 18.484 19.000 0.087 0.000 1.137 8 A HN 0.762 nan 8.150 nan 0.000 0.617 9 N N 0.043 118.613 118.700 -0.216 0.000 3.427 9 N HA 0.349 5.089 4.740 0.001 0.000 0.313 9 N C -1.035 174.115 175.510 -0.601 0.000 1.491 9 N CA -0.326 52.451 53.050 -0.455 0.000 0.870 9 N CB 1.099 39.390 38.487 -0.327 0.000 1.763 9 N HN 0.682 nan 8.380 nan 0.000 0.502 10 R N -0.730 119.360 120.500 -0.682 0.000 2.870 10 R HA 0.716 5.056 4.340 0.001 0.000 0.262 10 R C 0.485 176.459 176.300 -0.544 0.000 1.112 10 R CA -0.021 55.708 56.100 -0.619 0.000 0.976 10 R CB 0.083 29.887 30.300 -0.826 0.000 1.261 10 R HN 0.699 nan 8.270 nan 0.000 0.453 11 G N 0.823 109.283 108.800 -0.567 0.000 2.598 11 G HA2 -0.455 3.506 3.960 0.001 0.000 0.269 11 G HA3 -0.455 3.506 3.960 0.001 0.000 0.269 11 G C 0.700 175.198 174.900 -0.670 0.000 1.289 11 G CA 1.103 45.695 45.100 -0.847 0.000 0.926 11 G HN 1.070 nan 8.290 nan 0.000 0.567 12 E N -0.628 119.329 120.200 -0.404 0.000 2.065 12 E HA -0.180 4.171 4.350 0.001 0.000 0.201 12 E C 2.466 178.918 176.600 -0.247 0.000 1.016 12 E CA 2.442 58.738 56.400 -0.173 0.000 0.818 12 E CB -0.255 29.417 29.700 -0.048 0.000 0.749 12 E HN 0.884 nan 8.360 nan 0.000 0.453 13 I N 1.265 121.653 120.570 -0.304 0.000 2.194 13 I HA -0.262 3.909 4.170 0.001 0.000 0.246 13 I C 2.319 178.157 176.117 -0.466 0.000 1.093 13 I CA 1.730 62.771 61.300 -0.431 0.000 1.355 13 I CB -0.936 36.526 38.000 -0.897 0.000 1.046 13 I HN 0.317 nan 8.210 nan 0.000 0.413 14 A N -0.494 121.989 122.820 -0.561 0.000 1.969 14 A HA -0.154 4.166 4.320 0.001 0.000 0.218 14 A C 2.192 179.472 177.584 -0.506 0.000 1.169 14 A CA 1.632 53.256 52.037 -0.688 0.000 0.635 14 A CB -0.899 17.415 19.000 -1.143 0.000 0.810 14 A HN 0.465 nan 8.150 nan 0.000 0.445 15 L N -0.197 120.813 121.223 -0.355 0.000 2.044 15 L HA -0.044 4.296 4.340 0.001 0.000 0.205 15 L C 2.416 179.209 176.870 -0.128 0.000 1.075 15 L CA 2.260 57.008 54.840 -0.153 0.000 0.747 15 L CB -0.732 41.273 42.059 -0.091 0.000 0.903 15 L HN 0.462 nan 8.230 nan 0.000 0.435 16 R N -0.019 120.392 120.500 -0.149 0.000 2.103 16 R HA -0.187 4.154 4.340 0.001 0.000 0.242 16 R C 2.129 178.362 176.300 -0.112 0.000 1.142 16 R CA 2.251 58.294 56.100 -0.094 0.000 0.960 16 R CB -0.708 29.561 30.300 -0.052 0.000 0.858 16 R HN 0.500 nan 8.270 nan 0.000 0.439 17 I N 0.122 120.572 120.570 -0.201 0.000 2.252 17 I HA -0.211 3.959 4.170 0.001 0.000 0.245 17 I C 2.372 178.419 176.117 -0.117 0.000 1.102 17 I CA 1.054 62.225 61.300 -0.214 0.000 1.385 17 I CB -0.301 37.469 38.000 -0.384 0.000 1.064 17 I HN 0.253 nan 8.210 nan 0.000 0.414 18 L N 0.778 121.940 121.223 -0.101 0.000 2.046 18 L HA -0.212 4.128 4.340 0.001 0.000 0.208 18 L C 2.803 179.660 176.870 -0.022 0.000 1.077 18 L CA 1.511 56.330 54.840 -0.034 0.000 0.747 18 L CB -0.247 41.819 42.059 0.012 0.000 0.896 18 L HN 0.104 nan 8.230 nan 0.000 0.432 19 R N -0.332 120.150 120.500 -0.029 0.000 2.073 19 R HA -0.142 4.198 4.340 0.001 0.000 0.234 19 R C 2.355 178.647 176.300 -0.013 0.000 1.134 19 R CA 1.426 57.517 56.100 -0.015 0.000 0.952 19 R CB -0.530 29.762 30.300 -0.013 0.000 0.850 19 R HN 0.545 nan 8.270 nan 0.000 0.433 20 A N 0.223 123.030 122.820 -0.022 0.000 1.972 20 A HA -0.182 4.139 4.320 0.001 0.000 0.219 20 A C 2.345 179.925 177.584 -0.007 0.000 1.169 20 A CA 1.398 53.427 52.037 -0.013 0.000 0.635 20 A CB -0.755 18.235 19.000 -0.017 0.000 0.810 20 A HN 0.466 nan 8.150 nan 0.000 0.446 21 C N -0.161 119.133 119.300 -0.010 0.000 2.432 21 C HA -0.078 4.382 4.460 0.001 0.000 0.277 21 C C 2.648 177.639 174.990 0.001 0.000 1.249 21 C CA 1.242 60.259 59.018 -0.001 0.000 1.725 21 C CB -0.836 26.904 27.740 -0.000 0.000 2.028 21 C HN 0.586 nan 8.230 nan 0.000 0.477 22 K N 0.878 121.279 120.400 0.000 0.000 2.280 22 K HA -0.143 4.178 4.320 0.001 0.000 0.202 22 K C 1.552 178.154 176.600 0.003 0.000 1.047 22 K CA 1.155 57.444 56.287 0.002 0.000 0.942 22 K CB -0.343 32.158 32.500 0.002 0.000 0.739 22 K HN 0.679 nan 8.250 nan 0.000 0.457 23 E N 0.546 120.747 120.200 0.002 0.000 2.299 23 E HA -0.008 4.342 4.350 0.001 0.000 0.193 23 E C 1.498 178.100 176.600 0.003 0.000 0.998 23 E CA 0.444 56.846 56.400 0.003 0.000 0.851 23 E CB 0.139 29.841 29.700 0.003 0.000 0.795 23 E HN 0.236 nan 8.360 nan 0.000 0.492 24 L N -0.428 120.796 121.223 0.002 0.000 2.693 24 L HA 0.279 4.619 4.340 0.001 0.000 0.235 24 L C 1.024 177.896 176.870 0.003 0.000 1.127 24 L CA 0.091 54.932 54.840 0.002 0.000 0.914 24 L CB 0.512 42.571 42.059 0.001 0.000 1.193 24 L HN 0.203 nan 8.230 nan 0.000 0.502 25 G N 1.469 110.271 108.800 0.003 0.000 2.160 25 G HA2 -0.273 3.687 3.960 0.001 0.000 0.244 25 G HA3 -0.273 3.687 3.960 0.001 0.000 0.244 25 G C 0.116 175.020 174.900 0.006 0.000 1.022 25 G CA -0.159 44.944 45.100 0.004 0.000 0.741 25 G HN 0.305 nan 8.290 nan 0.000 0.508 26 I N 0.330 120.904 120.570 0.007 0.000 2.371 26 I HA 0.268 4.439 4.170 0.001 0.000 0.290 26 I C 0.848 176.972 176.117 0.012 0.000 1.028 26 I CA -0.607 60.699 61.300 0.010 0.000 1.345 26 I CB 1.044 39.050 38.000 0.011 0.000 1.407 26 I HN -0.036 nan 8.210 nan 0.000 0.501 27 K N 4.107 124.516 120.400 0.015 0.000 2.401 27 K HA 0.190 4.510 4.320 0.001 0.000 0.278 27 K C 0.228 176.840 176.600 0.020 0.000 1.018 27 K CA 0.010 56.307 56.287 0.016 0.000 0.981 27 K CB 0.708 33.220 32.500 0.019 0.000 0.933 27 K HN 0.720 nan 8.250 nan 0.000 0.477 28 T N -1.633 112.932 114.554 0.019 0.000 2.932 28 T HA 0.632 4.982 4.350 0.001 0.000 0.289 28 T C -0.681 174.034 174.700 0.026 0.000 1.039 28 T CA -0.913 61.202 62.100 0.025 0.000 1.024 28 T CB 1.294 70.179 68.868 0.027 0.000 1.090 28 T HN 0.128 nan 8.240 nan 0.000 0.496 29 V N 1.576 121.510 119.914 0.033 0.000 2.488 29 V HA 0.682 4.802 4.120 0.001 0.000 0.293 29 V C 0.105 176.230 176.094 0.052 0.000 1.027 29 V CA -1.036 61.283 62.300 0.032 0.000 0.862 29 V CB 1.140 32.977 31.823 0.023 0.000 1.008 29 V HN 1.302 nan 8.190 nan 0.000 0.428 30 A N 5.215 128.068 122.820 0.055 0.000 2.316 30 A HA 0.712 5.033 4.320 0.001 0.000 0.311 30 A C -0.004 177.650 177.584 0.118 0.000 1.339 30 A CA -0.413 51.683 52.037 0.099 0.000 0.960 30 A CB 0.545 19.511 19.000 -0.057 0.000 1.152 30 A HN 1.254 nan 8.150 nan 0.000 0.547 31 V N 2.257 122.241 119.914 0.117 0.000 2.509 31 V HA 0.808 4.928 4.120 0.001 0.000 0.284 31 V C -0.320 175.853 176.094 0.133 0.000 1.047 31 V CA -0.289 62.029 62.300 0.029 0.000 0.952 31 V CB 0.364 32.172 31.823 -0.024 0.000 0.988 31 V HN 1.142 nan 8.190 nan 0.000 0.469 32 H N 1.217 120.262 119.070 -0.041 0.000 3.037 32 H HA 0.748 5.304 4.556 0.001 0.000 0.355 32 H C -0.291 174.872 175.328 -0.274 0.000 1.263 32 H CA -0.109 55.900 56.048 -0.066 0.000 1.129 32 H CB 1.070 30.852 29.762 0.034 0.000 1.861 32 H HN 0.966 nan 8.280 nan 0.000 0.546 33 S N 0.512 116.023 115.700 -0.315 0.000 2.624 33 S HA 0.135 4.606 4.470 0.001 0.000 0.263 33 S C 1.218 175.878 174.600 0.100 0.000 1.287 33 S CA -0.084 57.951 58.200 -0.274 0.000 0.990 33 S CB 0.691 63.683 63.200 -0.347 0.000 0.950 33 S HN 1.151 nan 8.310 nan 0.000 0.561 34 S N 0.492 116.185 115.700 -0.011 0.000 2.500 34 S HA 0.021 4.492 4.470 0.001 0.000 0.239 34 S C 1.393 176.051 174.600 0.096 0.000 0.989 34 S CA 0.478 58.707 58.200 0.049 0.000 0.951 34 S CB -0.747 62.437 63.200 -0.028 0.000 0.759 34 S HN 1.132 nan 8.310 nan 0.000 0.523 35 A N 0.423 123.323 122.820 0.133 0.000 2.343 35 A HA 0.328 4.648 4.320 0.001 0.000 0.223 35 A C 1.083 178.818 177.584 0.251 0.000 1.214 35 A CA 0.091 52.248 52.037 0.200 0.000 0.900 35 A CB 0.272 19.447 19.000 0.290 0.000 0.942 35 A HN 0.362 nan 8.150 nan 0.000 0.507 36 D N -0.714 119.822 120.400 0.228 0.000 2.440 36 D HA 0.165 4.806 4.640 0.001 0.000 0.216 36 D C 1.457 177.691 176.300 -0.109 0.000 1.150 36 D CA -0.024 54.075 54.000 0.166 0.000 0.832 36 D CB 0.118 41.071 40.800 0.255 0.000 0.992 36 D HN 0.255 nan 8.370 nan 0.000 0.502 37 R N 0.371 120.774 120.500 -0.161 0.000 2.249 37 R HA -0.087 4.253 4.340 0.001 0.000 0.230 37 R C 0.267 176.458 176.300 -0.181 0.000 1.121 37 R CA 0.985 56.866 56.100 -0.365 0.000 0.997 37 R CB 0.235 30.488 30.300 -0.078 0.000 0.867 37 R HN -0.018 nan 8.270 nan 0.000 0.465 38 D N -0.453 119.956 120.400 0.015 0.000 2.424 38 D HA 0.104 4.744 4.640 0.001 0.000 0.220 38 D C -0.284 176.173 176.300 0.261 0.000 1.150 38 D CA -0.001 54.096 54.000 0.161 0.000 0.831 38 D CB 0.286 41.252 40.800 0.277 0.000 0.981 38 D HN 0.106 nan 8.370 nan 0.000 0.500 39 L N 0.823 122.112 121.223 0.110 0.000 2.456 39 L HA 0.047 4.388 4.340 0.001 0.000 0.272 39 L C 1.885 178.776 176.870 0.036 0.000 1.189 39 L CA -0.298 54.603 54.840 0.102 0.000 0.846 39 L CB 0.886 42.985 42.059 0.067 0.000 1.111 39 L HN -0.204 nan 8.230 nan 0.000 0.475 40 K N 2.249 122.705 120.400 0.093 0.000 2.044 40 K HA -0.242 4.078 4.320 0.001 0.000 0.210 40 K C 2.144 178.739 176.600 -0.008 0.000 1.049 40 K CA 2.025 58.330 56.287 0.029 0.000 0.927 40 K CB -0.244 32.297 32.500 0.068 0.000 0.713 40 K HN 0.748 nan 8.250 nan 0.000 0.443 41 H N -0.745 118.287 119.070 -0.063 0.000 2.462 41 H HA 0.002 4.558 4.556 0.001 0.000 0.292 41 H C 1.701 176.993 175.328 -0.060 0.000 1.049 41 H CA 1.384 57.389 56.048 -0.073 0.000 1.334 41 H CB -0.421 29.279 29.762 -0.103 0.000 1.404 41 H HN 0.040 nan 8.280 nan 0.000 0.544 42 V N 1.705 121.174 119.914 -0.742 0.000 2.515 42 V HA -0.199 3.921 4.120 0.001 0.000 0.250 42 V C 2.865 178.799 176.094 -0.267 0.000 1.058 42 V CA 1.374 63.323 62.300 -0.585 0.000 1.064 42 V CB -0.454 31.047 31.823 -0.536 0.000 0.675 42 V HN 0.298 nan 8.190 nan 0.000 0.461 43 L N -1.050 120.060 121.223 -0.188 0.000 2.395 43 L HA 0.023 4.363 4.340 0.001 0.000 0.218 43 L C 1.988 178.804 176.870 -0.090 0.000 1.130 43 L CA 0.895 55.664 54.840 -0.118 0.000 0.826 43 L CB -0.345 41.650 42.059 -0.106 0.000 0.941 43 L HN 0.274 nan 8.230 nan 0.000 0.451 44 L N -0.419 120.754 121.223 -0.084 0.000 2.513 44 L HA 0.275 4.615 4.340 0.001 0.000 0.222 44 L C 1.449 178.298 176.870 -0.034 0.000 1.096 44 L CA -0.408 54.403 54.840 -0.047 0.000 0.857 44 L CB -0.168 41.876 42.059 -0.025 0.000 1.026 44 L HN 0.105 nan 8.230 nan 0.000 0.469 45 A N 0.433 123.224 122.820 -0.049 0.000 2.466 45 A HA -0.023 4.298 4.320 0.001 0.000 0.238 45 A C 0.788 178.362 177.584 -0.017 0.000 1.074 45 A CA -0.110 51.913 52.037 -0.024 0.000 0.774 45 A CB 0.177 19.152 19.000 -0.042 0.000 1.015 45 A HN 0.201 nan 8.150 nan 0.000 0.498 46 D N 0.702 121.101 120.400 -0.003 0.000 2.117 46 D HA -0.042 4.599 4.640 0.001 0.000 0.198 46 D C 0.413 176.714 176.300 0.001 0.000 0.982 46 D CA 1.500 55.500 54.000 0.000 0.000 0.828 46 D CB 0.217 41.020 40.800 0.006 0.000 0.967 46 D HN 0.762 nan 8.370 nan 0.000 0.464 47 E N -1.116 119.088 120.200 0.005 0.000 2.369 47 E HA 0.526 4.877 4.350 0.001 0.000 0.270 47 E C -0.991 175.616 176.600 0.012 0.000 0.909 47 E CA -0.533 55.873 56.400 0.009 0.000 0.775 47 E CB 2.594 32.301 29.700 0.013 0.000 1.270 47 E HN -0.257 nan 8.360 nan 0.000 0.445 48 T N 0.840 115.406 114.554 0.021 0.000 2.991 48 T HA 0.430 4.781 4.350 0.001 0.000 0.303 48 T C -1.543 173.180 174.700 0.037 0.000 1.015 48 T CA -0.485 61.645 62.100 0.051 0.000 1.007 48 T CB 1.207 70.113 68.868 0.063 0.000 1.034 48 T HN 0.133 nan 8.240 nan 0.000 0.446 49 V N 2.593 122.507 119.914 0.000 0.000 2.577 49 V HA 0.390 4.510 4.120 0.001 0.000 0.303 49 V C 0.088 175.973 176.094 -0.348 0.000 1.042 49 V CA -1.001 61.235 62.300 -0.107 0.000 0.872 49 V CB 1.758 33.528 31.823 -0.089 0.000 0.998 49 V HN 1.067 nan 8.190 nan 0.000 0.423 50 C N 6.940 126.006 119.300 -0.389 0.000 2.416 50 C HA 0.376 4.837 4.460 0.001 0.000 0.355 50 C C 1.816 176.580 174.990 -0.377 0.000 1.211 50 C CA -0.372 58.282 59.018 -0.607 0.000 1.699 50 C CB -1.510 26.017 27.740 -0.354 0.000 2.310 50 C HN 0.870 nan 8.230 nan 0.000 0.539 51 I N 4.261 124.582 120.570 -0.416 0.000 3.251 51 I HA 0.434 4.605 4.170 0.001 0.000 0.277 51 I C 0.987 176.953 176.117 -0.251 0.000 1.268 51 I CA 0.808 61.936 61.300 -0.286 0.000 1.449 51 I CB -0.393 37.442 38.000 -0.275 0.000 1.083 51 I HN 0.725 nan 8.210 nan 0.000 0.464 52 G N 0.784 109.420 108.800 -0.273 0.000 2.327 52 G HA2 0.284 4.245 3.960 0.001 0.000 0.291 52 G HA3 0.284 4.245 3.960 0.001 0.000 0.291 52 G C -3.244 171.540 174.900 -0.194 0.000 1.290 52 G CA -0.740 44.237 45.100 -0.204 0.000 0.857 52 G HN -0.119 nan 8.290 nan 0.000 0.520 53 P HA 0.405 nan 4.420 nan 0.000 0.275 53 P C 1.084 178.282 177.300 -0.169 0.000 1.270 53 P CA 0.786 63.798 63.100 -0.147 0.000 0.791 53 P CB 0.667 32.290 31.700 -0.128 0.000 1.089 54 A N 0.055 122.732 122.820 -0.239 0.000 1.902 54 A HA 0.022 4.342 4.320 0.001 0.000 0.217 54 A C -1.197 176.273 177.584 -0.189 0.000 1.181 54 A CA 1.309 53.153 52.037 -0.321 0.000 0.623 54 A CB -2.527 15.883 19.000 -0.984 0.000 0.818 54 A HN 0.521 nan 8.150 nan 0.000 0.443 55 P HA 0.179 nan 4.420 nan 0.000 0.267 55 P C 0.634 177.987 177.300 0.089 0.000 1.209 55 P CA 0.353 63.434 63.100 -0.033 0.000 0.763 55 P CB 0.975 32.659 31.700 -0.028 0.000 0.816 56 S N 2.273 118.132 115.700 0.264 0.000 2.381 56 S HA -0.180 4.290 4.470 0.001 0.000 0.230 56 S C 1.931 176.631 174.600 0.167 0.000 1.052 56 S CA 1.625 60.036 58.200 0.351 0.000 1.068 56 S CB -0.976 62.547 63.200 0.538 0.000 0.918 56 S HN 0.323 nan 8.310 nan 0.000 0.448 57 V N 1.639 121.628 119.914 0.125 0.000 2.439 57 V HA -0.212 3.908 4.120 0.001 0.000 0.253 57 V C 2.022 178.123 176.094 0.012 0.000 1.074 57 V CA 1.699 64.037 62.300 0.065 0.000 1.076 57 V CB -0.400 31.452 31.823 0.048 0.000 0.664 57 V HN 0.415 nan 8.190 nan 0.000 0.461 58 K N -0.900 119.491 120.400 -0.015 0.000 2.358 58 K HA 0.194 4.514 4.320 0.001 0.000 0.197 58 K C 1.426 177.955 176.600 -0.119 0.000 1.025 58 K CA 0.829 57.080 56.287 -0.060 0.000 1.104 58 K CB 0.882 33.344 32.500 -0.064 0.000 0.855 58 K HN 0.687 nan 8.250 nan 0.000 0.531 59 S N -0.745 114.866 115.700 -0.149 0.000 3.385 59 S HA 0.053 4.524 4.470 0.001 0.000 0.176 59 S C 1.457 175.868 174.600 -0.315 0.000 0.851 59 S CA -0.318 57.688 58.200 -0.323 0.000 1.039 59 S CB -0.683 62.201 63.200 -0.526 0.000 1.241 59 S HN 0.025 nan 8.310 nan 0.000 0.859 60 Y N 1.909 122.078 120.300 -0.219 0.000 2.538 60 Y HA 0.208 4.759 4.550 0.001 0.000 0.287 60 Y C 1.682 177.420 175.900 -0.270 0.000 1.157 60 Y CA 0.571 58.415 58.100 -0.427 0.000 1.338 60 Y CB -0.622 37.222 38.460 -1.028 0.000 0.970 60 Y HN 0.240 nan 8.280 nan 0.000 0.564 61 L N -0.779 120.443 121.223 -0.002 0.000 2.858 61 L HA 0.158 4.498 4.340 0.001 0.000 0.251 61 L C 0.546 177.374 176.870 -0.069 0.000 1.149 61 L CA -0.126 54.713 54.840 -0.002 0.000 0.955 61 L CB 0.151 42.271 42.059 0.102 0.000 1.289 61 L HN -0.077 nan 8.230 nan 0.000 0.542 62 N N 1.714 120.359 118.700 -0.091 0.000 2.549 62 N HA 0.108 4.848 4.740 0.001 0.000 0.267 62 N C 1.243 176.702 175.510 -0.085 0.000 1.182 62 N CA 0.141 53.142 53.050 -0.082 0.000 1.019 62 N CB 0.338 38.771 38.487 -0.090 0.000 1.380 62 N HN 0.197 nan 8.380 nan 0.000 0.505 63 I N 3.457 123.985 120.570 -0.071 0.000 2.065 63 I HA -0.297 3.873 4.170 0.001 0.000 0.236 63 I C -0.593 175.553 176.117 0.048 0.000 1.028 63 I CA 1.533 62.827 61.300 -0.011 0.000 1.299 63 I CB -1.863 36.182 38.000 0.075 0.000 1.015 63 I HN 0.359 nan 8.210 nan 0.000 0.396 64 P HA -0.210 nan 4.420 nan 0.000 0.216 64 P C 1.474 178.781 177.300 0.010 0.000 1.154 64 P CA 2.307 65.428 63.100 0.035 0.000 0.865 64 P CB -0.170 31.541 31.700 0.019 0.000 0.789 65 A N -0.690 122.118 122.820 -0.021 0.000 1.940 65 A HA -0.173 4.148 4.320 0.001 0.000 0.219 65 A C 2.297 179.849 177.584 -0.052 0.000 1.176 65 A CA 1.582 53.589 52.037 -0.050 0.000 0.631 65 A CB -1.492 17.456 19.000 -0.086 0.000 0.814 65 A HN 0.157 nan 8.150 nan 0.000 0.446 66 I N -0.653 119.894 120.570 -0.038 0.000 2.333 66 I HA -0.133 4.037 4.170 0.001 0.000 0.246 66 I C 2.186 178.285 176.117 -0.030 0.000 1.106 66 I CA 0.506 61.788 61.300 -0.030 0.000 1.411 66 I CB -0.277 37.722 38.000 -0.001 0.000 1.082 66 I HN 0.202 nan 8.210 nan 0.000 0.420 67 I N 0.561 121.140 120.570 0.014 0.000 2.163 67 I HA -0.291 3.880 4.170 0.001 0.000 0.243 67 I C 2.781 178.888 176.117 -0.016 0.000 1.085 67 I CA 1.449 62.733 61.300 -0.027 0.000 1.347 67 I CB -1.066 36.978 38.000 0.072 0.000 1.044 67 I HN 0.166 nan 8.210 nan 0.000 0.408 68 S N 0.378 116.089 115.700 0.019 0.000 2.372 68 S HA -0.231 4.240 4.470 0.001 0.000 0.227 68 S C 2.141 176.748 174.600 0.013 0.000 1.044 68 S CA 1.767 59.983 58.200 0.028 0.000 1.050 68 S CB -0.182 63.024 63.200 0.009 0.000 0.901 68 S HN 0.548 nan 8.310 nan 0.000 0.447 69 A N 0.740 123.545 122.820 -0.025 0.000 1.969 69 A HA 0.240 4.561 4.320 0.001 0.000 0.218 69 A C 2.334 179.901 177.584 -0.029 0.000 1.169 69 A CA 1.665 53.683 52.037 -0.033 0.000 0.635 69 A CB -1.024 17.941 19.000 -0.058 0.000 0.810 69 A HN 0.630 nan 8.150 nan 0.000 0.445 70 A N -0.225 122.541 122.820 -0.090 0.000 1.902 70 A HA -0.159 4.161 4.320 0.001 0.000 0.217 70 A C 1.939 179.591 177.584 0.113 0.000 1.181 70 A CA 1.670 53.611 52.037 -0.160 0.000 0.623 70 A CB -0.475 18.089 19.000 -0.726 0.000 0.818 70 A HN 0.617 nan 8.150 nan 0.000 0.443 71 E N -0.375 119.947 120.200 0.203 0.000 2.007 71 E HA -0.205 4.146 4.350 0.001 0.000 0.194 71 E C 1.821 178.511 176.600 0.149 0.000 0.999 71 E CA 1.661 58.234 56.400 0.289 0.000 0.811 71 E CB -0.375 29.455 29.700 0.217 0.000 0.762 71 E HN 0.793 nan 8.360 nan 0.000 0.450 72 I N -0.409 120.213 120.570 0.086 0.000 2.700 72 I HA -0.136 4.034 4.170 0.001 0.000 0.261 72 I C 1.939 178.085 176.117 0.048 0.000 1.219 72 I CA 1.399 62.731 61.300 0.053 0.000 1.463 72 I CB -0.765 37.252 38.000 0.029 0.000 1.092 72 I HN -0.033 nan 8.210 nan 0.000 0.452 73 T N -2.287 112.302 114.554 0.059 0.000 3.060 73 T HA 0.438 4.788 4.350 0.001 0.000 0.249 73 T C 1.564 176.304 174.700 0.067 0.000 1.079 73 T CA 0.181 62.311 62.100 0.050 0.000 1.013 73 T CB -0.369 68.521 68.868 0.037 0.000 0.975 73 T HN 0.753 nan 8.240 nan 0.000 0.518 74 G N 1.677 110.537 108.800 0.099 0.000 2.273 74 G HA2 0.005 3.965 3.960 0.001 0.000 0.280 74 G HA3 0.005 3.965 3.960 0.001 0.000 0.280 74 G C 0.200 175.174 174.900 0.124 0.000 1.047 74 G CA -0.122 45.039 45.100 0.102 0.000 0.869 74 G HN 1.096 nan 8.290 nan 0.000 0.502 75 A N -1.063 121.870 122.820 0.188 0.000 2.304 75 A HA 0.840 5.161 4.320 0.001 0.000 0.271 75 A C 1.526 179.322 177.584 0.353 0.000 1.091 75 A CA 0.438 52.592 52.037 0.195 0.000 0.812 75 A CB 1.351 20.429 19.000 0.129 0.000 1.056 75 A HN 1.641 nan 8.150 nan 0.000 0.489 76 V N -2.547 117.522 119.914 0.257 0.000 3.612 76 V HA 0.648 4.768 4.120 0.001 0.000 0.268 76 V C 0.546 176.829 176.094 0.315 0.000 1.365 76 V CA 0.843 63.309 62.300 0.276 0.000 1.044 76 V CB -0.634 31.252 31.823 0.104 0.000 0.820 76 V HN 1.545 nan 8.190 nan 0.000 0.444 77 A N 0.194 123.130 122.820 0.194 0.000 2.498 77 A HA 0.891 5.212 4.320 0.001 0.000 0.298 77 A C -1.129 176.470 177.584 0.025 0.000 1.075 77 A CA -0.669 51.430 52.037 0.103 0.000 0.714 77 A CB 1.854 20.875 19.000 0.036 0.000 1.299 77 A HN 0.313 nan 8.150 nan 0.000 0.407 78 I N 2.135 122.695 120.570 -0.017 0.000 2.468 78 I HA 0.236 4.406 4.170 0.001 0.000 0.285 78 I C -0.960 175.139 176.117 -0.030 0.000 1.039 78 I CA -0.471 60.821 61.300 -0.014 0.000 1.074 78 I CB 1.767 39.752 38.000 -0.026 0.000 1.228 78 I HN 0.730 nan 8.210 nan 0.000 0.436 79 H N 8.936 127.962 119.070 -0.074 0.000 2.705 79 H HA 0.297 4.853 4.556 0.001 0.000 0.291 79 H C -1.929 173.357 175.328 -0.070 0.000 1.085 79 H CA -2.209 53.764 56.048 -0.124 0.000 1.357 79 H CB 1.711 31.398 29.762 -0.126 0.000 1.419 79 H HN 0.322 nan 8.280 nan 0.000 0.462 80 P HA 0.025 nan 4.420 nan 0.000 0.229 80 P C 0.900 178.331 177.300 0.217 0.000 1.160 80 P CA 1.240 64.507 63.100 0.277 0.000 0.777 80 P CB 0.655 32.549 31.700 0.323 0.000 0.814 81 G N 0.514 109.518 108.800 0.341 0.000 2.556 81 G HA2 -0.232 3.729 3.960 0.001 0.000 0.283 81 G HA3 -0.232 3.729 3.960 0.001 0.000 0.283 81 G C -0.644 174.267 174.900 0.019 0.000 1.177 81 G CA 0.385 45.421 45.100 -0.107 0.000 0.978 81 G HN 0.456 nan 8.290 nan 0.000 0.554 82 Y N -1.523 118.808 120.300 0.052 0.000 2.570 82 Y HA 0.627 5.178 4.550 0.001 0.000 0.345 82 Y C 1.337 177.257 175.900 0.033 0.000 1.014 82 Y CA -1.220 56.910 58.100 0.049 0.000 1.063 82 Y CB 1.154 39.627 38.460 0.021 0.000 1.272 82 Y HN 2.388 nan 8.280 nan 0.000 0.477 83 G N 0.345 109.320 108.800 0.292 0.000 2.284 83 G HA2 -0.387 3.574 3.960 0.001 0.000 0.268 83 G HA3 -0.387 3.574 3.960 0.001 0.000 0.268 83 G C 0.435 175.311 174.900 -0.040 0.000 0.980 83 G CA 1.382 46.524 45.100 0.070 0.000 0.631 83 G HN 0.657 nan 8.290 nan 0.000 0.548 84 F N -0.705 119.291 119.950 0.076 0.000 2.293 84 F HA 0.493 5.020 4.527 0.001 0.000 0.272 84 F C 2.412 178.222 175.800 0.017 0.000 1.053 84 F CA 1.153 59.171 58.000 0.031 0.000 1.152 84 F CB -0.243 38.749 39.000 -0.013 0.000 1.119 84 F HN 0.068 nan 8.300 nan 0.000 0.564 85 L N -0.368 120.981 121.223 0.210 0.000 2.766 85 L HA 0.092 4.433 4.340 0.001 0.000 0.242 85 L C 1.977 179.044 176.870 0.329 0.000 1.136 85 L CA 0.103 55.001 54.840 0.097 0.000 0.933 85 L CB -0.202 41.592 42.059 -0.442 0.000 1.241 85 L HN 0.122 nan 8.230 nan 0.000 0.522 86 S N 0.205 116.092 115.700 0.312 0.000 2.413 86 S HA -0.270 4.200 4.470 0.001 0.000 0.237 86 S C 1.226 176.035 174.600 0.348 0.000 1.044 86 S CA 1.572 59.969 58.200 0.330 0.000 1.024 86 S CB -0.263 63.084 63.200 0.245 0.000 0.829 86 S HN 0.537 nan 8.310 nan 0.000 0.475 87 E N 0.791 121.153 120.200 0.270 0.000 2.789 87 E HA 0.212 4.563 4.350 0.001 0.000 0.208 87 E C -0.501 176.209 176.600 0.183 0.000 0.988 87 E CA -0.263 56.269 56.400 0.219 0.000 1.092 87 E CB 0.224 30.019 29.700 0.159 0.000 1.066 87 E HN 0.345 nan 8.360 nan 0.000 0.465 88 N N 1.157 119.988 118.700 0.218 0.000 2.527 88 N HA 0.152 4.892 4.740 0.001 0.000 0.236 88 N C 0.746 176.323 175.510 0.111 0.000 0.999 88 N CA 0.009 53.164 53.050 0.174 0.000 0.935 88 N CB 1.200 39.815 38.487 0.213 0.000 1.132 88 N HN 0.092 nan 8.380 nan 0.000 0.511 89 A N 4.587 127.436 122.820 0.047 0.000 1.884 89 A HA -0.254 4.066 4.320 0.001 0.000 0.219 89 A C 1.878 179.421 177.584 -0.069 0.000 1.197 89 A CA 1.489 53.508 52.037 -0.030 0.000 0.637 89 A CB -0.350 18.649 19.000 -0.001 0.000 0.827 89 A HN 0.724 nan 8.150 nan 0.000 0.450 90 N N -1.125 117.578 118.700 0.005 0.000 2.104 90 N HA -0.161 4.579 4.740 0.001 0.000 0.190 90 N C 1.573 177.102 175.510 0.030 0.000 1.024 90 N CA 1.717 54.776 53.050 0.016 0.000 0.853 90 N CB -0.645 37.874 38.487 0.053 0.000 1.008 90 N HN 0.681 nan 8.380 nan 0.000 0.424 91 F N 1.608 121.497 119.950 -0.103 0.000 2.113 91 F HA -0.066 4.461 4.527 0.001 0.000 0.297 91 F C 2.297 177.933 175.800 -0.274 0.000 1.103 91 F CA 1.294 59.227 58.000 -0.112 0.000 1.248 91 F CB -0.124 38.855 39.000 -0.035 0.000 0.999 91 F HN 0.015 nan 8.300 nan 0.000 0.475 92 A N 0.049 122.459 122.820 -0.684 0.000 1.940 92 A HA -0.280 4.041 4.320 0.001 0.000 0.219 92 A C 2.118 179.250 177.584 -0.752 0.000 1.176 92 A CA 2.041 53.243 52.037 -1.392 0.000 0.631 92 A CB -1.031 17.139 19.000 -1.383 0.000 0.814 92 A HN 0.628 nan 8.150 nan 0.000 0.446 93 E N -0.910 119.047 120.200 -0.405 0.000 2.072 93 E HA -0.232 4.118 4.350 0.001 0.000 0.191 93 E C 2.210 178.702 176.600 -0.181 0.000 0.985 93 E CA 1.250 57.511 56.400 -0.232 0.000 0.801 93 E CB -0.109 29.513 29.700 -0.131 0.000 0.750 93 E HN 0.760 nan 8.360 nan 0.000 0.452 94 Q N -0.303 119.394 119.800 -0.172 0.000 2.119 94 Q HA -0.128 4.212 4.340 0.001 0.000 0.201 94 Q C 2.131 178.078 176.000 -0.088 0.000 0.972 94 Q CA 1.251 57.004 55.803 -0.083 0.000 0.847 94 Q CB 0.223 28.961 28.738 -0.001 0.000 0.903 94 Q HN 0.171 nan 8.270 nan 0.000 0.433 95 V N 0.820 120.583 119.914 -0.253 0.000 2.255 95 V HA -0.298 3.823 4.120 0.001 0.000 0.247 95 V C 1.906 178.012 176.094 0.021 0.000 1.051 95 V CA 2.229 64.433 62.300 -0.159 0.000 1.018 95 V CB -0.430 31.154 31.823 -0.398 0.000 0.641 95 V HN 0.407 nan 8.190 nan 0.000 0.445 96 E N -0.444 119.711 120.200 -0.075 0.000 2.047 96 E HA -0.217 4.133 4.350 0.001 0.000 0.191 96 E C 2.469 179.055 176.600 -0.022 0.000 0.987 96 E CA 0.964 57.349 56.400 -0.025 0.000 0.799 96 E CB -0.242 29.426 29.700 -0.054 0.000 0.752 96 E HN 0.328 nan 8.360 nan 0.000 0.449 97 R N 0.471 120.947 120.500 -0.039 0.000 2.211 97 R HA -0.093 4.247 4.340 0.001 0.000 0.240 97 R C 1.509 177.803 176.300 -0.010 0.000 1.144 97 R CA 1.057 57.141 56.100 -0.027 0.000 0.992 97 R CB -0.030 30.252 30.300 -0.029 0.000 0.869 97 R HN 0.006 nan 8.270 nan 0.000 0.462 98 S N -1.188 114.530 115.700 0.030 0.000 2.593 98 S HA 0.136 4.606 4.470 0.001 0.000 0.217 98 S C 0.928 175.470 174.600 -0.097 0.000 0.966 98 S CA 0.610 58.844 58.200 0.056 0.000 0.914 98 S CB 0.825 64.177 63.200 0.253 0.000 0.776 98 S HN 0.699 nan 8.310 nan 0.000 0.523 99 G N 0.626 109.363 108.800 -0.105 0.000 2.176 99 G HA2 -0.253 3.707 3.960 0.001 0.000 0.253 99 G HA3 -0.253 3.707 3.960 0.001 0.000 0.253 99 G C 0.099 174.835 174.900 -0.274 0.000 0.979 99 G CA -0.126 44.848 45.100 -0.209 0.000 0.641 99 G HN 0.435 nan 8.290 nan 0.000 0.530 100 F N 0.068 120.002 119.950 -0.028 0.000 2.352 100 F HA 0.700 5.227 4.527 0.001 0.000 0.304 100 F C 1.262 177.052 175.800 -0.017 0.000 1.215 100 F CA -0.673 57.316 58.000 -0.019 0.000 1.121 100 F CB 0.605 39.596 39.000 -0.016 0.000 1.329 100 F HN -0.066 nan 8.300 nan 0.000 0.528 101 I N 1.653 122.367 120.570 0.240 0.000 2.355 101 I HA 0.146 4.317 4.170 0.001 0.000 0.288 101 I C -0.904 175.282 176.117 0.115 0.000 0.999 101 I CA -0.505 60.867 61.300 0.120 0.000 1.163 101 I CB 0.951 38.989 38.000 0.062 0.000 1.316 101 I HN 0.356 nan 8.210 nan 0.000 0.454 102 F N 7.471 127.372 119.950 -0.080 0.000 2.445 102 F HA 0.330 4.858 4.527 0.001 0.000 0.359 102 F C 0.686 176.396 175.800 -0.150 0.000 1.101 102 F CA -0.507 57.408 58.000 -0.143 0.000 1.177 102 F CB 0.631 39.522 39.000 -0.181 0.000 1.110 102 F HN 0.289 nan 8.300 nan 0.000 0.522 103 I N 7.342 127.486 120.570 -0.711 0.000 2.204 103 I HA 0.290 4.460 4.170 0.001 0.000 0.291 103 I C 0.583 176.151 176.117 -0.915 0.000 1.153 103 I CA 0.193 61.078 61.300 -0.691 0.000 1.546 103 I CB -1.499 36.076 38.000 -0.707 0.000 1.490 103 I HN 0.756 nan 8.210 nan 0.000 0.697 104 G N 5.408 113.789 108.800 -0.699 0.000 2.340 104 G HA2 0.382 4.342 3.960 0.001 0.000 0.299 104 G HA3 0.382 4.342 3.960 0.001 0.000 0.299 104 G C -3.286 171.522 174.900 -0.153 0.000 1.291 104 G CA -0.562 44.257 45.100 -0.468 0.000 0.841 104 G HN 0.048 nan 8.290 nan 0.000 0.500 105 P HA 0.336 nan 4.420 nan 0.000 0.277 105 P C -0.451 176.872 177.300 0.038 0.000 1.276 105 P CA -0.250 62.722 63.100 -0.214 0.000 0.788 105 P CB 0.745 32.216 31.700 -0.382 0.000 1.114 106 K N -0.623 119.758 120.400 -0.031 0.000 2.154 106 K HA 0.369 4.689 4.320 0.001 0.000 0.264 106 K C 1.554 178.136 176.600 -0.030 0.000 1.008 106 K CA -0.117 56.161 56.287 -0.015 0.000 0.937 106 K CB 0.287 32.769 32.500 -0.030 0.000 1.002 106 K HN 0.349 nan 8.250 nan 0.000 0.469 107 A N 2.689 125.452 122.820 -0.094 0.000 1.903 107 A HA -0.264 4.057 4.320 0.001 0.000 0.219 107 A C 1.690 179.255 177.584 -0.031 0.000 1.191 107 A CA 2.062 54.041 52.037 -0.096 0.000 0.638 107 A CB -0.614 18.298 19.000 -0.146 0.000 0.823 107 A HN 0.905 nan 8.150 nan 0.000 0.451 108 E N -0.605 119.580 120.200 -0.025 0.000 2.171 108 E HA -0.129 4.221 4.350 0.001 0.000 0.197 108 E C 2.023 178.634 176.600 0.018 0.000 0.997 108 E CA 1.815 58.212 56.400 -0.005 0.000 0.810 108 E CB -0.493 29.203 29.700 -0.007 0.000 0.738 108 E HN 0.672 nan 8.360 nan 0.000 0.467 109 T N 0.576 115.149 114.554 0.032 0.000 2.812 109 T HA -0.022 4.329 4.350 0.001 0.000 0.264 109 T C 1.929 176.683 174.700 0.089 0.000 1.042 109 T CA 0.733 62.877 62.100 0.075 0.000 1.140 109 T CB -0.195 68.740 68.868 0.112 0.000 0.870 109 T HN 0.087 nan 8.240 nan 0.000 0.445 110 I N 1.540 122.158 120.570 0.080 0.000 2.118 110 I HA -0.298 3.872 4.170 0.001 0.000 0.241 110 I C 2.787 178.945 176.117 0.068 0.000 1.070 110 I CA 1.628 62.983 61.300 0.091 0.000 1.327 110 I CB -0.426 37.628 38.000 0.089 0.000 1.034 110 I HN 0.237 nan 8.210 nan 0.000 0.405 111 R N 0.313 120.839 120.500 0.043 0.000 2.096 111 R HA -0.175 4.166 4.340 0.001 0.000 0.235 111 R C 2.287 178.606 176.300 0.030 0.000 1.127 111 R CA 1.167 57.288 56.100 0.035 0.000 0.968 111 R CB -0.816 29.496 30.300 0.021 0.000 0.861 111 R HN 0.267 nan 8.270 nan 0.000 0.440 112 L N 1.161 122.402 121.223 0.029 0.000 1.971 112 L HA -0.145 4.196 4.340 0.001 0.000 0.215 112 L C 1.923 178.805 176.870 0.019 0.000 1.072 112 L CA 1.949 56.801 54.840 0.019 0.000 0.758 112 L CB -0.341 41.734 42.059 0.026 0.000 0.889 112 L HN 0.135 nan 8.230 nan 0.000 0.433 113 M N -0.839 118.784 119.600 0.038 0.000 2.561 113 M HA 0.154 4.635 4.480 0.001 0.000 0.238 113 M C 1.802 178.133 176.300 0.052 0.000 1.131 113 M CA 0.837 56.162 55.300 0.042 0.000 1.046 113 M CB -1.084 31.538 32.600 0.037 0.000 1.532 113 M HN 0.472 nan 8.290 nan 0.000 0.497 114 G N 0.066 108.896 108.800 0.050 0.000 2.683 114 G HA2 -0.070 3.890 3.960 0.001 0.000 0.213 114 G HA3 -0.070 3.890 3.960 0.001 0.000 0.213 114 G C -0.118 174.808 174.900 0.043 0.000 1.142 114 G CA 0.014 45.149 45.100 0.058 0.000 0.793 114 G HN 0.397 nan 8.290 nan 0.000 0.534 115 D N -0.518 119.892 120.400 0.018 0.000 2.414 115 D HA 0.332 4.972 4.640 0.001 0.000 0.232 115 D C 1.474 177.740 176.300 -0.057 0.000 1.070 115 D CA -0.552 53.438 54.000 -0.017 0.000 0.839 115 D CB 0.962 41.747 40.800 -0.025 0.000 1.079 115 D HN -0.121 nan 8.370 nan 0.000 0.521 116 K N 1.822 122.166 120.400 -0.092 0.000 2.034 116 K HA -0.178 4.143 4.320 0.001 0.000 0.214 116 K C 1.730 178.134 176.600 -0.326 0.000 1.051 116 K CA 1.473 57.654 56.287 -0.176 0.000 0.931 116 K CB -0.326 32.049 32.500 -0.208 0.000 0.715 116 K HN 0.340 nan 8.250 nan 0.000 0.446 117 V N 1.231 120.879 119.914 -0.443 0.000 2.261 117 V HA -0.239 3.882 4.120 0.001 0.000 0.246 117 V C 2.437 178.423 176.094 -0.180 0.000 1.047 117 V CA 1.971 64.039 62.300 -0.387 0.000 1.015 117 V CB -0.633 31.013 31.823 -0.294 0.000 0.642 117 V HN 0.273 nan 8.190 nan 0.000 0.446 118 S N -0.112 115.517 115.700 -0.119 0.000 2.374 118 S HA -0.224 4.247 4.470 0.001 0.000 0.227 118 S C 2.224 176.788 174.600 -0.060 0.000 1.037 118 S CA 1.604 59.764 58.200 -0.068 0.000 1.024 118 S CB -0.569 62.606 63.200 -0.041 0.000 0.861 118 S HN 0.673 nan 8.310 nan 0.000 0.456 119 A N 1.918 124.708 122.820 -0.050 0.000 1.851 119 A HA -0.110 4.210 4.320 0.001 0.000 0.216 119 A C 2.037 179.576 177.584 -0.076 0.000 1.195 119 A CA 1.519 53.542 52.037 -0.023 0.000 0.622 119 A CB -0.903 18.148 19.000 0.086 0.000 0.831 119 A HN 0.470 nan 8.150 nan 0.000 0.444 120 I N -0.233 120.318 120.570 -0.032 0.000 2.069 120 I HA -0.363 3.807 4.170 0.001 0.000 0.237 120 I C 3.021 179.095 176.117 -0.071 0.000 1.053 120 I CA 1.698 62.983 61.300 -0.025 0.000 1.311 120 I CB -1.017 36.981 38.000 -0.004 0.000 1.030 120 I HN 0.405 nan 8.210 nan 0.000 0.398 121 A N 0.726 123.509 122.820 -0.063 0.000 1.986 121 A HA -0.180 4.140 4.320 0.001 0.000 0.220 121 A C 2.508 180.053 177.584 -0.064 0.000 1.171 121 A CA 2.115 54.121 52.037 -0.050 0.000 0.640 121 A CB -0.733 18.242 19.000 -0.042 0.000 0.811 121 A HN 0.531 nan 8.150 nan 0.000 0.451 122 A N -1.175 121.595 122.820 -0.082 0.000 1.929 122 A HA -0.021 4.300 4.320 0.001 0.000 0.216 122 A C 2.163 179.673 177.584 -0.123 0.000 1.176 122 A CA 1.723 53.710 52.037 -0.084 0.000 0.628 122 A CB -0.395 18.561 19.000 -0.073 0.000 0.816 122 A HN 0.428 nan 8.150 nan 0.000 0.444 123 M N -0.561 118.918 119.600 -0.201 0.000 2.077 123 M HA -0.072 4.408 4.480 0.001 0.000 0.261 123 M C 2.022 178.215 176.300 -0.179 0.000 1.070 123 M CA 1.673 56.795 55.300 -0.296 0.000 1.125 123 M CB -1.247 30.954 32.600 -0.665 0.000 1.339 123 M HN 0.374 nan 8.290 nan 0.000 0.409 124 K N 0.513 120.846 120.400 -0.111 0.000 2.032 124 K HA -0.221 4.099 4.320 0.001 0.000 0.218 124 K C 2.079 178.649 176.600 -0.050 0.000 1.054 124 K CA 1.969 58.228 56.287 -0.047 0.000 0.941 124 K CB -0.139 32.349 32.500 -0.019 0.000 0.720 124 K HN 0.163 nan 8.250 nan 0.000 0.449 125 K N -0.542 119.826 120.400 -0.053 0.000 2.015 125 K HA -0.208 4.113 4.320 0.001 0.000 0.216 125 K C 2.006 178.572 176.600 -0.057 0.000 1.052 125 K CA 1.662 57.922 56.287 -0.045 0.000 0.937 125 K CB -0.294 32.181 32.500 -0.042 0.000 0.719 125 K HN 0.277 nan 8.250 nan 0.000 0.446 126 A N -0.219 122.554 122.820 -0.079 0.000 2.178 126 A HA -0.024 4.297 4.320 0.001 0.000 0.218 126 A C 1.404 178.923 177.584 -0.107 0.000 1.157 126 A CA 1.609 53.592 52.037 -0.091 0.000 0.689 126 A CB -0.519 18.418 19.000 -0.106 0.000 0.787 126 A HN 0.607 nan 8.150 nan 0.000 0.465 127 G N -2.515 106.227 108.800 -0.096 0.000 2.144 127 G HA2 -0.154 3.807 3.960 0.001 0.000 0.218 127 G HA3 -0.154 3.807 3.960 0.001 0.000 0.218 127 G C 0.085 174.915 174.900 -0.117 0.000 0.988 127 G CA 0.027 45.071 45.100 -0.092 0.000 0.659 127 G HN 0.770 nan 8.290 nan 0.000 0.522 128 V N 2.849 122.686 119.914 -0.129 0.000 2.461 128 V HA 0.416 4.536 4.120 0.001 0.000 0.275 128 V C -1.382 174.729 176.094 0.029 0.000 1.047 128 V CA -1.365 60.871 62.300 -0.106 0.000 0.955 128 V CB 1.344 33.041 31.823 -0.209 0.000 0.988 128 V HN 0.199 nan 8.190 nan 0.000 0.471 129 P HA 0.149 nan 4.420 nan 0.000 0.263 129 P C -0.673 176.834 177.300 0.345 0.000 1.195 129 P CA 0.011 63.244 63.100 0.222 0.000 0.762 129 P CB 0.227 32.067 31.700 0.233 0.000 0.799 130 C N 2.576 122.063 119.300 0.312 0.000 2.719 130 C HA 0.474 4.934 4.460 0.001 0.000 0.327 130 C C 0.364 175.590 174.990 0.394 0.000 1.238 130 C CA -0.812 58.428 59.018 0.370 0.000 1.727 130 C CB 1.727 29.633 27.740 0.276 0.000 2.256 130 C HN 0.350 nan 8.230 nan 0.000 0.489 131 V N 2.942 123.066 119.914 0.350 0.000 2.637 131 V HA 0.174 4.295 4.120 0.001 0.000 0.296 131 V C -2.001 174.179 176.094 0.142 0.000 1.046 131 V CA -0.749 61.676 62.300 0.208 0.000 1.066 131 V CB -0.055 31.815 31.823 0.079 0.000 0.968 131 V HN 0.742 nan 8.190 nan 0.000 0.483 132 P HA 0.268 nan 4.420 nan 0.000 0.262 132 P C 0.286 177.604 177.300 0.030 0.000 1.199 132 P CA 0.735 63.868 63.100 0.056 0.000 0.763 132 P CB 0.645 32.357 31.700 0.019 0.000 0.790 133 G N 1.250 110.083 108.800 0.056 0.000 2.871 133 G HA2 0.323 4.284 3.960 0.001 0.000 0.282 133 G HA3 0.323 4.284 3.960 0.001 0.000 0.282 133 G C 0.818 175.751 174.900 0.055 0.000 1.212 133 G CA 0.088 45.219 45.100 0.052 0.000 0.812 133 G HN 0.306 nan 8.290 nan 0.000 0.547 134 S N -0.687 115.063 115.700 0.083 0.000 2.428 134 S HA 0.047 4.517 4.470 0.001 0.000 0.230 134 S C 0.768 175.414 174.600 0.076 0.000 1.014 134 S CA 1.547 59.791 58.200 0.073 0.000 0.957 134 S CB -0.130 63.117 63.200 0.078 0.000 0.784 134 S HN 0.605 nan 8.310 nan 0.000 0.499 135 D N 0.950 121.410 120.400 0.100 0.000 3.012 135 D HA -0.065 4.576 4.640 0.001 0.000 0.222 135 D C 0.340 176.665 176.300 0.042 0.000 1.167 135 D CA 1.478 55.517 54.000 0.064 0.000 0.854 135 D CB -1.600 39.228 40.800 0.047 0.000 1.107 135 D HN 0.829 nan 8.370 nan 0.000 0.421 136 G N -1.618 107.218 108.800 0.059 0.000 2.342 136 G HA2 0.522 4.482 3.960 0.001 0.000 0.297 136 G HA3 0.522 4.482 3.960 0.001 0.000 0.297 136 G C -3.297 171.646 174.900 0.071 0.000 1.313 136 G CA -0.815 44.307 45.100 0.038 0.000 0.830 136 G HN -0.058 nan 8.290 nan 0.000 0.506 137 P HA 0.499 nan 4.420 nan 0.000 0.282 137 P C -0.462 176.873 177.300 0.060 0.000 1.249 137 P CA -0.615 62.525 63.100 0.066 0.000 0.806 137 P CB 1.236 32.956 31.700 0.035 0.000 0.984 138 L N 2.261 123.522 121.223 0.064 0.000 2.453 138 L HA 0.296 4.637 4.340 0.001 0.000 0.272 138 L C 1.436 178.322 176.870 0.027 0.000 1.182 138 L CA 0.671 55.535 54.840 0.039 0.000 0.858 138 L CB -0.619 41.455 42.059 0.025 0.000 1.120 138 L HN 0.497 nan 8.230 nan 0.000 0.474 139 G N 2.168 110.981 108.800 0.022 0.000 2.636 139 G HA2 0.172 4.132 3.960 0.001 0.000 0.246 139 G HA3 0.172 4.132 3.960 0.001 0.000 0.246 139 G C 0.370 175.279 174.900 0.015 0.000 1.216 139 G CA -0.227 44.883 45.100 0.017 0.000 0.854 139 G HN 0.844 nan 8.290 nan 0.000 0.572 140 D N -0.783 119.625 120.400 0.013 0.000 2.183 140 D HA 0.002 4.642 4.640 0.001 0.000 0.203 140 D C 0.782 177.089 176.300 0.011 0.000 0.969 140 D CA 1.121 55.129 54.000 0.012 0.000 0.842 140 D CB 0.172 40.979 40.800 0.011 0.000 0.957 140 D HN 0.581 nan 8.370 nan 0.000 0.484 141 D N -0.208 120.199 120.400 0.012 0.000 2.252 141 D HA 0.115 4.756 4.640 0.001 0.000 0.245 141 D C 0.445 176.753 176.300 0.014 0.000 1.009 141 D CA -0.575 53.432 54.000 0.012 0.000 0.870 141 D CB 1.954 42.761 40.800 0.011 0.000 1.251 141 D HN -0.260 nan 8.370 nan 0.000 0.460 142 M N 1.322 120.930 119.600 0.015 0.000 2.492 142 M HA -0.001 4.480 4.480 0.001 0.000 0.262 142 M C 0.938 177.250 176.300 0.021 0.000 1.090 142 M CA 0.568 55.879 55.300 0.019 0.000 1.110 142 M CB -0.953 31.659 32.600 0.020 0.000 1.407 142 M HN 0.390 nan 8.290 nan 0.000 0.470 143 D N 0.690 121.100 120.400 0.017 0.000 2.182 143 D HA -0.158 4.483 4.640 0.001 0.000 0.201 143 D C 1.605 177.916 176.300 0.018 0.000 0.986 143 D CA 1.210 55.220 54.000 0.017 0.000 0.847 143 D CB 0.045 40.853 40.800 0.014 0.000 0.942 143 D HN 0.372 nan 8.370 nan 0.000 0.467 144 K N -0.592 119.818 120.400 0.017 0.000 2.356 144 K HA 0.135 4.455 4.320 0.001 0.000 0.195 144 K C 1.406 178.015 176.600 0.015 0.000 1.037 144 K CA 0.151 56.447 56.287 0.015 0.000 1.014 144 K CB 0.284 32.792 32.500 0.014 0.000 0.815 144 K HN -0.060 nan 8.250 nan 0.000 0.507 145 N N 1.303 120.013 118.700 0.018 0.000 2.173 145 N HA 0.010 4.751 4.740 0.001 0.000 0.184 145 N C 1.516 177.040 175.510 0.023 0.000 1.025 145 N CA 0.863 53.923 53.050 0.017 0.000 0.852 145 N CB 0.081 38.580 38.487 0.020 0.000 0.998 145 N HN 0.056 nan 8.380 nan 0.000 0.427 146 R N 0.274 120.796 120.500 0.037 0.000 2.083 146 R HA -0.030 4.310 4.340 0.001 0.000 0.237 146 R C 1.963 178.294 176.300 0.051 0.000 1.137 146 R CA 1.496 57.633 56.100 0.061 0.000 0.951 146 R CB -0.331 30.003 30.300 0.058 0.000 0.851 146 R HN 0.201 nan 8.270 nan 0.000 0.434 147 A N 0.598 123.437 122.820 0.031 0.000 1.969 147 A HA -0.114 4.206 4.320 0.001 0.000 0.218 147 A C 2.046 179.632 177.584 0.004 0.000 1.169 147 A CA 1.069 53.119 52.037 0.022 0.000 0.635 147 A CB -0.371 18.641 19.000 0.019 0.000 0.810 147 A HN 0.209 nan 8.150 nan 0.000 0.445 148 I N -0.277 120.289 120.570 -0.007 0.000 2.110 148 I HA -0.263 3.907 4.170 0.001 0.000 0.236 148 I C 3.011 179.084 176.117 -0.073 0.000 1.068 148 I CA 1.094 62.378 61.300 -0.027 0.000 1.333 148 I CB -0.486 37.500 38.000 -0.022 0.000 1.054 148 I HN 0.325 nan 8.210 nan 0.000 0.402 149 A N 0.572 123.328 122.820 -0.107 0.000 1.958 149 A HA -0.327 3.993 4.320 0.001 0.000 0.221 149 A C 2.394 179.790 177.584 -0.313 0.000 1.178 149 A CA 2.329 54.197 52.037 -0.281 0.000 0.642 149 A CB -0.701 18.163 19.000 -0.226 0.000 0.816 149 A HN 0.414 nan 8.150 nan 0.000 0.453 150 K N -0.354 120.008 120.400 -0.063 0.000 2.031 150 K HA -0.177 4.143 4.320 0.001 0.000 0.205 150 K C 2.438 179.030 176.600 -0.014 0.000 1.049 150 K CA 1.287 57.593 56.287 0.031 0.000 0.939 150 K CB -0.273 32.272 32.500 0.074 0.000 0.717 150 K HN 0.577 nan 8.250 nan 0.000 0.438 151 R N 0.947 121.432 120.500 -0.025 0.000 2.083 151 R HA -0.147 4.194 4.340 0.001 0.000 0.237 151 R C 2.201 178.479 176.300 -0.036 0.000 1.137 151 R CA 1.701 57.790 56.100 -0.019 0.000 0.951 151 R CB -0.610 29.682 30.300 -0.013 0.000 0.851 151 R HN 0.237 nan 8.270 nan 0.000 0.434 152 I N 0.506 121.031 120.570 -0.076 0.000 2.142 152 I HA -0.090 4.081 4.170 0.001 0.000 0.240 152 I C 0.932 176.987 176.117 -0.103 0.000 1.078 152 I CA 1.687 62.931 61.300 -0.093 0.000 1.343 152 I CB -0.337 37.579 38.000 -0.139 0.000 1.046 152 I HN 0.683 nan 8.210 nan 0.000 0.405 153 G N -0.962 107.743 108.800 -0.158 0.000 2.784 153 G HA2 -0.190 3.770 3.960 0.001 0.000 0.686 153 G HA3 -0.190 3.770 3.960 0.001 0.000 0.686 153 G C -0.944 173.848 174.900 -0.179 0.000 1.156 153 G CA -0.904 44.135 45.100 -0.102 0.000 0.757 153 G HN 0.064 nan 8.290 nan 0.000 0.642 154 Y N 1.823 122.128 120.300 0.008 0.000 2.307 154 Y HA 0.579 5.129 4.550 0.001 0.000 0.324 154 Y C -0.793 175.125 175.900 0.029 0.000 1.238 154 Y CA -1.124 56.985 58.100 0.016 0.000 1.280 154 Y CB 0.833 39.297 38.460 0.006 0.000 1.248 154 Y HN 0.581 nan 8.280 nan 0.000 0.508 155 P HA 0.265 nan 4.420 nan 0.000 0.274 155 P C -1.069 176.314 177.300 0.138 0.000 1.256 155 P CA -0.213 63.054 63.100 0.279 0.000 0.795 155 P CB 1.196 33.053 31.700 0.263 0.000 1.038 156 V N 0.794 120.771 119.914 0.106 0.000 3.130 156 V HA 0.512 4.632 4.120 0.001 0.000 0.310 156 V C -0.436 175.661 176.094 0.005 0.000 1.158 156 V CA -0.938 61.341 62.300 -0.036 0.000 1.029 156 V CB 2.526 34.176 31.823 -0.289 0.000 1.057 156 V HN 0.478 nan 8.190 nan 0.000 0.436 157 I N 3.312 123.866 120.570 -0.026 0.000 2.647 157 I HA 0.508 4.679 4.170 0.001 0.000 0.295 157 I C -1.336 174.693 176.117 -0.146 0.000 1.078 157 I CA -0.757 60.508 61.300 -0.059 0.000 1.048 157 I CB 1.948 39.963 38.000 0.025 0.000 1.239 157 I HN 0.437 nan 8.210 nan 0.000 0.421 158 I N 6.534 127.015 120.570 -0.148 0.000 2.330 158 I HA 0.387 4.557 4.170 0.001 0.000 0.286 158 I C -0.509 175.469 176.117 -0.232 0.000 1.025 158 I CA -0.551 60.634 61.300 -0.191 0.000 1.197 158 I CB 0.513 38.446 38.000 -0.112 0.000 1.358 158 I HN 0.438 nan 8.210 nan 0.000 0.467 159 K N 4.275 124.423 120.400 -0.421 0.000 2.259 159 K HA 0.818 5.138 4.320 0.001 0.000 0.249 159 K C -0.366 176.109 176.600 -0.210 0.000 0.942 159 K CA -0.679 55.397 56.287 -0.352 0.000 0.816 159 K CB 2.796 35.053 32.500 -0.405 0.000 1.155 159 K HN 0.665 nan 8.250 nan 0.000 0.428 160 A N 0.901 123.654 122.820 -0.111 0.000 2.316 160 A HA 0.261 4.581 4.320 0.001 0.000 0.284 160 A C 0.384 177.969 177.584 0.001 0.000 1.115 160 A CA -0.561 51.400 52.037 -0.126 0.000 0.812 160 A CB 0.453 19.163 19.000 -0.484 0.000 1.064 160 A HN 0.739 nan 8.150 nan 0.000 0.489 161 S N 1.300 116.998 115.700 -0.004 0.000 2.603 161 S HA 0.052 4.523 4.470 0.001 0.000 0.220 161 S C 1.495 176.044 174.600 -0.084 0.000 0.967 161 S CA 0.562 58.734 58.200 -0.045 0.000 0.920 161 S CB 0.117 63.266 63.200 -0.085 0.000 0.773 161 S HN 1.015 nan 8.310 nan 0.000 0.529 162 G N 0.868 109.524 108.800 -0.240 0.000 2.920 162 G HA2 0.423 4.384 3.960 0.001 0.000 0.208 162 G HA3 0.423 4.384 3.960 0.001 0.000 0.208 162 G C 1.059 176.052 174.900 0.154 0.000 1.159 162 G CA 0.237 45.253 45.100 -0.141 0.000 0.784 162 G HN 0.673 nan 8.290 nan 0.000 0.535 163 G N 0.068 108.906 108.800 0.062 0.000 2.889 163 G HA2 0.082 4.042 3.960 0.001 0.000 0.308 163 G HA3 0.082 4.042 3.960 0.001 0.000 0.308 163 G C 1.607 176.822 174.900 0.525 0.000 1.248 163 G CA 1.854 47.095 45.100 0.235 0.000 0.982 163 G HN 1.921 nan 8.290 nan 0.000 0.571 164 G N -0.794 108.358 108.800 0.587 0.000 2.900 164 G HA2 0.380 4.341 3.960 0.001 0.000 0.223 164 G HA3 0.380 4.341 3.960 0.001 0.000 0.223 164 G C 1.574 176.546 174.900 0.120 0.000 1.293 164 G CA 1.497 46.781 45.100 0.306 0.000 0.792 164 G HN 3.138 nan 8.290 nan 0.000 0.527 165 G N -0.896 107.989 108.800 0.142 0.000 3.026 165 G HA2 0.512 4.473 3.960 0.001 0.000 0.252 165 G HA3 0.512 4.473 3.960 0.001 0.000 0.252 165 G C 1.417 176.237 174.900 -0.133 0.000 1.070 165 G CA 0.651 45.794 45.100 0.072 0.000 1.183 165 G HN 2.657 nan 8.290 nan 0.000 0.571 166 G N -0.082 108.529 108.800 -0.315 0.000 2.299 166 G HA2 -0.221 3.740 3.960 0.001 0.000 0.237 166 G HA3 -0.221 3.740 3.960 0.001 0.000 0.237 166 G C 0.676 175.529 174.900 -0.078 0.000 1.027 166 G CA 0.809 45.702 45.100 -0.344 0.000 0.619 166 G HN 1.378 nan 8.290 nan 0.000 0.513 167 R N 0.747 121.262 120.500 0.026 0.000 2.441 167 R HA 0.505 4.845 4.340 0.001 0.000 0.284 167 R C 1.032 177.528 176.300 0.327 0.000 1.070 167 R CA 0.136 56.311 56.100 0.126 0.000 1.047 167 R CB 0.878 31.201 30.300 0.037 0.000 1.016 167 R HN 1.542 nan 8.270 nan 0.000 0.477 168 G N 2.113 111.061 108.800 0.247 0.000 2.248 168 G HA2 -0.236 3.725 3.960 0.001 0.000 0.252 168 G HA3 -0.236 3.725 3.960 0.001 0.000 0.252 168 G C -0.239 174.666 174.900 0.008 0.000 1.085 168 G CA -0.162 45.032 45.100 0.156 0.000 0.845 168 G HN 0.491 nan 8.290 nan 0.000 0.494 169 M N -1.037 118.565 119.600 0.003 0.000 2.484 169 M HA 0.680 5.161 4.480 0.001 0.000 0.289 169 M C -0.108 176.166 176.300 -0.044 0.000 1.206 169 M CA -0.773 54.505 55.300 -0.037 0.000 0.892 169 M CB 2.875 35.457 32.600 -0.031 0.000 1.712 169 M HN 0.187 nan 8.290 nan 0.000 0.462 170 R N 1.078 121.537 120.500 -0.068 0.000 2.561 170 R HA 0.677 5.017 4.340 0.001 0.000 0.266 170 R C -1.805 174.431 176.300 -0.108 0.000 1.091 170 R CA -0.573 55.480 56.100 -0.077 0.000 0.927 170 R CB 2.515 32.782 30.300 -0.055 0.000 1.240 170 R HN 0.579 nan 8.270 nan 0.000 0.449 171 V N 3.064 122.889 119.914 -0.150 0.000 2.617 171 V HA 0.598 4.719 4.120 0.001 0.000 0.298 171 V C -0.180 175.858 176.094 -0.093 0.000 1.048 171 V CA -0.699 61.481 62.300 -0.201 0.000 0.964 171 V CB 1.680 33.262 31.823 -0.401 0.000 1.004 171 V HN 0.409 nan 8.190 nan 0.000 0.466 172 V N 4.487 124.393 119.914 -0.014 0.000 2.709 172 V HA 0.538 4.658 4.120 0.001 0.000 0.308 172 V C 0.238 176.500 176.094 0.280 0.000 1.062 172 V CA -0.624 61.748 62.300 0.119 0.000 0.901 172 V CB 1.948 33.901 31.823 0.216 0.000 1.003 172 V HN 0.935 nan 8.190 nan 0.000 0.425 173 R N 2.151 122.699 120.500 0.080 0.000 2.517 173 R HA 0.484 4.825 4.340 0.001 0.000 0.265 173 R C 0.614 176.502 176.300 -0.686 0.000 0.921 173 R CA 0.250 56.333 56.100 -0.028 0.000 1.054 173 R CB 1.536 31.819 30.300 -0.027 0.000 1.340 173 R HN 0.748 nan 8.270 nan 0.000 0.551 174 G N -0.185 108.118 108.800 -0.828 0.000 2.672 174 G HA2 0.196 4.156 3.960 0.001 0.000 0.292 174 G HA3 0.196 4.156 3.960 0.001 0.000 0.292 174 G C -0.742 173.775 174.900 -0.640 0.000 1.375 174 G CA -0.469 44.152 45.100 -0.798 0.000 0.890 174 G HN -0.210 nan 8.290 nan 0.000 0.476 175 D N 0.426 120.600 120.400 -0.377 0.000 2.310 175 D HA -0.034 4.607 4.640 0.001 0.000 0.212 175 D C 2.258 178.517 176.300 -0.069 0.000 0.965 175 D CA 1.213 55.144 54.000 -0.115 0.000 0.879 175 D CB 0.232 41.008 40.800 -0.041 0.000 0.921 175 D HN 0.423 nan 8.370 nan 0.000 0.510 176 A N 0.324 123.083 122.820 -0.102 0.000 2.337 176 A HA 0.035 4.356 4.320 0.001 0.000 0.227 176 A C 1.538 179.090 177.584 -0.053 0.000 1.259 176 A CA 0.101 52.100 52.037 -0.064 0.000 0.870 176 A CB 0.025 18.986 19.000 -0.064 0.000 0.927 176 A HN 0.141 nan 8.150 nan 0.000 0.497 177 E N -1.004 119.165 120.200 -0.052 0.000 2.256 177 E HA 0.038 4.388 4.350 0.001 0.000 0.198 177 E C 1.199 177.800 176.600 0.002 0.000 0.908 177 E CA -0.093 56.290 56.400 -0.030 0.000 0.915 177 E CB -0.324 29.353 29.700 -0.039 0.000 0.890 177 E HN 0.333 nan 8.360 nan 0.000 0.484 178 L N 2.239 123.481 121.223 0.032 0.000 2.123 178 L HA -0.324 4.016 4.340 0.001 0.000 0.217 178 L C 2.330 179.212 176.870 0.020 0.000 1.081 178 L CA 2.015 56.882 54.840 0.045 0.000 0.772 178 L CB -0.933 41.167 42.059 0.069 0.000 0.890 178 L HN 0.154 nan 8.230 nan 0.000 0.437 179 A N -0.948 121.878 122.820 0.010 0.000 1.885 179 A HA -0.373 3.947 4.320 0.001 0.000 0.215 179 A C 2.065 179.650 177.584 0.002 0.000 1.255 179 A CA 2.438 54.477 52.037 0.004 0.000 0.692 179 A CB -0.912 18.087 19.000 -0.002 0.000 0.842 179 A HN 0.540 nan 8.150 nan 0.000 0.465 180 Q N -0.014 119.784 119.800 -0.003 0.000 2.030 180 Q HA -0.075 4.265 4.340 0.001 0.000 0.204 180 Q C 2.205 178.202 176.000 -0.005 0.000 0.986 180 Q CA 1.540 57.340 55.803 -0.005 0.000 0.843 180 Q CB -0.733 28.000 28.738 -0.010 0.000 0.904 180 Q HN 0.597 nan 8.270 nan 0.000 0.420 181 S N 0.734 116.430 115.700 -0.006 0.000 2.208 181 S HA -0.317 4.154 4.470 0.001 0.000 0.433 181 S C 1.796 176.389 174.600 -0.012 0.000 0.994 181 S CA 1.922 60.117 58.200 -0.009 0.000 2.516 181 S CB -0.923 62.279 63.200 0.002 0.000 1.857 181 S HN 0.362 nan 8.310 nan 0.000 0.498 182 I N 1.368 121.932 120.570 -0.009 0.000 2.185 182 I HA -0.286 3.884 4.170 0.001 0.000 0.246 182 I C 2.500 178.613 176.117 -0.006 0.000 1.088 182 I CA 1.659 62.952 61.300 -0.012 0.000 1.347 182 I CB -0.403 37.594 38.000 -0.004 0.000 1.041 182 I HN 0.294 nan 8.210 nan 0.000 0.415 183 S N 0.205 115.904 115.700 -0.001 0.000 2.351 183 S HA -0.252 4.218 4.470 0.001 0.000 0.220 183 S C 1.933 176.536 174.600 0.004 0.000 1.035 183 S CA 1.635 59.836 58.200 0.003 0.000 1.031 183 S CB -0.441 62.761 63.200 0.003 0.000 0.928 183 S HN 0.269 nan 8.310 nan 0.000 0.433 184 M N 1.514 121.115 119.600 0.001 0.000 2.080 184 M HA -0.119 4.361 4.480 0.001 0.000 0.260 184 M C 2.397 178.703 176.300 0.010 0.000 1.068 184 M CA 1.510 56.813 55.300 0.005 0.000 1.109 184 M CB -1.160 31.439 32.600 -0.001 0.000 1.342 184 M HN 0.270 nan 8.290 nan 0.000 0.405 185 T N -0.273 114.281 114.554 0.000 0.000 2.569 185 T HA -0.182 4.169 4.350 0.001 0.000 0.263 185 T C 1.884 176.590 174.700 0.009 0.000 1.074 185 T CA 1.446 63.545 62.100 -0.002 0.000 1.176 185 T CB -0.268 68.583 68.868 -0.029 0.000 0.863 185 T HN 0.312 nan 8.240 nan 0.000 0.410 186 R N 0.724 121.224 120.500 0.001 0.000 2.140 186 R HA -0.186 4.154 4.340 0.001 0.000 0.250 186 R C 2.572 178.889 176.300 0.029 0.000 1.150 186 R CA 1.628 57.733 56.100 0.008 0.000 0.966 186 R CB -0.647 29.658 30.300 0.008 0.000 0.869 186 R HN 0.430 nan 8.270 nan 0.000 0.445 187 A N 0.666 123.504 122.820 0.030 0.000 2.014 187 A HA -0.124 4.197 4.320 0.001 0.000 0.218 187 A C 1.821 179.439 177.584 0.058 0.000 1.163 187 A CA 1.005 53.064 52.037 0.038 0.000 0.652 187 A CB -0.115 18.901 19.000 0.026 0.000 0.808 187 A HN 0.349 nan 8.150 nan 0.000 0.449 188 E N -0.326 119.915 120.200 0.067 0.000 2.112 188 E HA 0.015 4.365 4.350 0.001 0.000 0.190 188 E C 2.199 178.918 176.600 0.199 0.000 0.979 188 E CA 0.734 57.196 56.400 0.103 0.000 0.814 188 E CB -0.158 29.597 29.700 0.092 0.000 0.762 188 E HN 0.598 nan 8.360 nan 0.000 0.460 189 A N 1.421 124.354 122.820 0.188 0.000 1.970 189 A HA -0.109 4.212 4.320 0.001 0.000 0.216 189 A C 1.990 179.761 177.584 0.312 0.000 1.170 189 A CA 0.904 53.113 52.037 0.288 0.000 0.645 189 A CB -0.132 18.827 19.000 -0.068 0.000 0.816 189 A HN -0.020 nan 8.150 nan 0.000 0.447 190 K N -0.276 120.221 120.400 0.161 0.000 2.148 190 K HA -0.039 4.282 4.320 0.001 0.000 0.204 190 K C 2.173 178.845 176.600 0.121 0.000 1.050 190 K CA 0.945 57.306 56.287 0.124 0.000 0.942 190 K CB -0.214 32.330 32.500 0.074 0.000 0.724 190 K HN 0.423 nan 8.250 nan 0.000 0.446 191 A N 0.990 123.876 122.820 0.111 0.000 1.855 191 A HA -0.075 4.245 4.320 0.001 0.000 0.215 191 A C 2.255 179.857 177.584 0.029 0.000 1.191 191 A CA 1.815 53.890 52.037 0.063 0.000 0.613 191 A CB -0.728 18.300 19.000 0.047 0.000 0.829 191 A HN 0.390 nan 8.150 nan 0.000 0.442 192 A N -0.851 121.976 122.820 0.012 0.000 1.832 192 A HA 0.194 4.514 4.320 0.001 0.000 0.214 192 A C 1.924 179.359 177.584 -0.248 0.000 1.204 192 A CA 1.511 53.417 52.037 -0.218 0.000 0.606 192 A CB -0.811 17.876 19.000 -0.523 0.000 0.849 192 A HN 0.462 nan 8.150 nan 0.000 0.445 193 F N -0.607 119.355 119.950 0.020 0.000 2.187 193 F HA 0.186 4.714 4.527 0.001 0.000 0.295 193 F C 1.368 177.182 175.800 0.024 0.000 1.091 193 F CA 0.886 58.901 58.000 0.025 0.000 1.308 193 F CB -0.598 38.419 39.000 0.030 0.000 1.030 193 F HN 0.135 nan 8.300 nan 0.000 0.487 194 S N 0.644 116.490 115.700 0.244 0.000 3.931 194 S HA -0.179 4.291 4.470 0.001 0.000 0.318 194 S C -0.406 174.268 174.600 0.122 0.000 1.098 194 S CA 0.399 58.682 58.200 0.139 0.000 0.900 194 S CB -1.755 61.499 63.200 0.090 0.000 0.886 194 S HN 0.552 nan 8.310 nan 0.000 0.513 195 N N 1.205 119.984 118.700 0.132 0.000 2.839 195 N HA 0.210 4.950 4.740 0.001 0.000 0.230 195 N C -0.006 175.520 175.510 0.027 0.000 1.388 195 N CA 0.092 53.182 53.050 0.067 0.000 0.747 195 N CB 0.675 39.196 38.487 0.056 0.000 1.411 195 N HN 0.358 nan 8.380 nan 0.000 0.556 196 D N 0.961 121.382 120.400 0.035 0.000 2.411 196 D HA -0.120 4.520 4.640 0.001 0.000 0.226 196 D C 0.750 177.050 176.300 0.001 0.000 0.988 196 D CA 0.567 54.579 54.000 0.021 0.000 0.938 196 D CB 0.102 40.919 40.800 0.028 0.000 0.883 196 D HN 0.427 nan 8.370 nan 0.000 0.525 197 M N 1.342 120.938 119.600 -0.006 0.000 2.228 197 M HA 0.193 4.673 4.480 0.001 0.000 0.351 197 M C -0.597 175.706 176.300 0.004 0.000 1.233 197 M CA -0.311 54.992 55.300 0.004 0.000 1.129 197 M CB 0.878 33.480 32.600 0.004 0.000 1.604 197 M HN 0.075 nan 8.290 nan 0.000 0.457 198 V N 4.935 124.878 119.914 0.048 0.000 2.971 198 V HA 0.785 4.906 4.120 0.001 0.000 0.309 198 V C -1.861 174.332 176.094 0.164 0.000 1.130 198 V CA -0.638 61.706 62.300 0.074 0.000 0.964 198 V CB 1.970 33.782 31.823 -0.018 0.000 1.029 198 V HN 0.908 nan 8.190 nan 0.000 0.427 199 Y N 2.789 123.067 120.300 -0.037 0.000 2.634 199 Y HA 0.894 5.445 4.550 0.001 0.000 0.340 199 Y C -0.602 175.286 175.900 -0.019 0.000 1.058 199 Y CA -1.663 56.424 58.100 -0.021 0.000 1.081 199 Y CB 1.967 40.420 38.460 -0.011 0.000 1.295 199 Y HN 1.044 nan 8.280 nan 0.000 0.487 200 M N 2.086 121.623 119.600 -0.105 0.000 2.591 200 M HA 0.664 5.144 4.480 0.001 0.000 0.306 200 M C -1.827 174.403 176.300 -0.115 0.000 1.190 200 M CA -0.247 54.940 55.300 -0.188 0.000 0.889 200 M CB 2.972 35.508 32.600 -0.106 0.000 1.728 200 M HN 0.954 nan 8.290 nan 0.000 0.458 201 E N 2.137 122.251 120.200 -0.144 0.000 2.390 201 E HA 0.310 4.660 4.350 0.001 0.000 0.280 201 E C -1.914 174.646 176.600 -0.068 0.000 0.992 201 E CA -1.184 55.179 56.400 -0.061 0.000 0.790 201 E CB 1.425 31.131 29.700 0.011 0.000 1.248 201 E HN 0.768 nan 8.360 nan 0.000 0.447 202 K N 2.033 122.393 120.400 -0.068 0.000 2.448 202 K HA -0.016 4.304 4.320 0.001 0.000 0.278 202 K C -1.223 175.358 176.600 -0.030 0.000 1.009 202 K CA -0.311 55.933 56.287 -0.073 0.000 0.995 202 K CB 0.346 32.778 32.500 -0.114 0.000 0.917 202 K HN 0.577 nan 8.250 nan 0.000 0.481 203 Y N 5.821 126.064 120.300 -0.095 0.000 2.404 203 Y HA 0.253 4.804 4.550 0.001 0.000 0.344 203 Y C -0.897 174.972 175.900 -0.052 0.000 0.995 203 Y CA -0.689 57.376 58.100 -0.058 0.000 1.201 203 Y CB 0.509 38.954 38.460 -0.025 0.000 1.151 203 Y HN 0.493 nan 8.280 nan 0.000 0.517 204 L N 6.616 127.435 121.223 -0.673 0.000 2.331 204 L HA 0.193 4.533 4.340 0.001 0.000 0.278 204 L C 1.038 177.432 176.870 -0.793 0.000 1.106 204 L CA -0.193 54.307 54.840 -0.567 0.000 0.824 204 L CB 1.227 43.070 42.059 -0.359 0.000 1.142 204 L HN 0.702 nan 8.230 nan 0.000 0.443 205 E N 2.200 122.181 120.200 -0.366 0.000 1.999 205 E HA -0.097 4.253 4.350 0.001 0.000 0.194 205 E C 0.095 176.705 176.600 0.016 0.000 0.995 205 E CA 1.564 57.880 56.400 -0.140 0.000 0.825 205 E CB 0.180 29.875 29.700 -0.007 0.000 0.777 205 E HN 0.634 nan 8.360 nan 0.000 0.459 206 N N 0.892 119.603 118.700 0.019 0.000 2.813 206 N HA 0.234 4.974 4.740 0.001 0.000 0.282 206 N C -2.678 172.850 175.510 0.031 0.000 1.748 206 N CA -0.933 52.177 53.050 0.100 0.000 0.860 206 N CB 1.615 40.175 38.487 0.122 0.000 1.204 206 N HN 0.122 nan 8.380 nan 0.000 0.490 207 P HA 0.344 nan 4.420 nan 0.000 0.280 207 P C -0.475 176.853 177.300 0.047 0.000 1.272 207 P CA -0.471 62.633 63.100 0.007 0.000 0.819 207 P CB 1.648 33.346 31.700 -0.003 0.000 1.122 208 R N -1.197 119.379 120.500 0.126 0.000 2.856 208 R HA 0.419 4.760 4.340 0.001 0.000 0.258 208 R C -0.305 176.120 176.300 0.208 0.000 1.066 208 R CA -0.695 55.509 56.100 0.175 0.000 1.045 208 R CB 0.796 31.241 30.300 0.243 0.000 1.178 208 R HN 0.594 nan 8.270 nan 0.000 0.499 209 H N 0.805 119.944 119.070 0.114 0.000 2.700 209 H HA 0.319 4.875 4.556 0.001 0.000 0.269 209 H C -1.238 174.170 175.328 0.133 0.000 1.222 209 H CA -0.424 55.694 56.048 0.117 0.000 1.254 209 H CB 0.427 30.223 29.762 0.056 0.000 1.413 209 H HN 0.070 nan 8.280 nan 0.000 0.507 210 V N 5.954 125.960 119.914 0.154 0.000 2.370 210 V HA 0.224 4.345 4.120 0.001 0.000 0.283 210 V C -0.108 176.133 176.094 0.245 0.000 1.023 210 V CA -0.684 61.726 62.300 0.183 0.000 0.857 210 V CB 1.208 33.088 31.823 0.094 0.000 0.985 210 V HN 0.816 nan 8.190 nan 0.000 0.443 211 E N 4.699 125.050 120.200 0.251 0.000 2.256 211 E HA 0.704 5.054 4.350 0.001 0.000 0.267 211 E C -1.705 175.038 176.600 0.239 0.000 0.892 211 E CA -1.016 55.565 56.400 0.301 0.000 0.775 211 E CB 2.488 32.341 29.700 0.256 0.000 1.207 211 E HN 0.384 nan 8.360 nan 0.000 0.420 212 I N 2.152 122.916 120.570 0.323 0.000 2.354 212 I HA 0.130 4.301 4.170 0.001 0.000 0.292 212 I C -0.158 176.124 176.117 0.275 0.000 0.989 212 I CA -0.502 60.943 61.300 0.242 0.000 1.188 212 I CB 1.502 39.597 38.000 0.159 0.000 1.342 212 I HN 0.561 nan 8.210 nan 0.000 0.457 213 Q N 6.090 126.011 119.800 0.202 0.000 2.294 213 Q HA 0.579 4.920 4.340 0.001 0.000 0.257 213 Q C -0.796 175.329 176.000 0.208 0.000 0.955 213 Q CA -0.352 55.560 55.803 0.182 0.000 0.936 213 Q CB 1.071 29.891 28.738 0.137 0.000 1.188 213 Q HN 0.575 nan 8.270 nan 0.000 0.420 214 V N 1.996 122.033 119.914 0.205 0.000 3.103 214 V HA 0.788 4.909 4.120 0.001 0.000 0.318 214 V C -1.006 175.188 176.094 0.167 0.000 1.114 214 V CA -1.009 61.419 62.300 0.213 0.000 1.020 214 V CB 2.010 34.013 31.823 0.300 0.000 1.085 214 V HN 0.784 nan 8.190 nan 0.000 0.446 215 L N 1.854 123.176 121.223 0.164 0.000 2.614 215 L HA 0.784 5.124 4.340 0.001 0.000 0.264 215 L C -0.688 176.264 176.870 0.137 0.000 0.940 215 L CA -0.293 54.630 54.840 0.138 0.000 0.903 215 L CB 1.763 43.867 42.059 0.075 0.000 1.306 215 L HN 1.189 nan 8.230 nan 0.000 0.410 216 A N 1.670 124.587 122.820 0.161 0.000 2.449 216 A HA 0.617 4.938 4.320 0.001 0.000 0.302 216 A C -0.297 177.320 177.584 0.055 0.000 1.048 216 A CA -0.536 51.581 52.037 0.133 0.000 0.708 216 A CB 1.391 20.535 19.000 0.240 0.000 1.274 216 A HN 0.771 nan 8.150 nan 0.000 0.410 217 D N 0.680 121.098 120.400 0.030 0.000 2.354 217 D HA 0.282 4.922 4.640 0.001 0.000 0.209 217 D C 1.147 177.438 176.300 -0.014 0.000 1.015 217 D CA 0.876 54.873 54.000 -0.003 0.000 0.867 217 D CB 0.042 40.839 40.800 -0.005 0.000 0.933 217 D HN 1.616 nan 8.370 nan 0.000 0.520 218 G N 0.350 109.152 108.800 0.004 0.000 2.153 218 G HA2 -0.377 3.583 3.960 0.001 0.000 0.252 218 G HA3 -0.377 3.583 3.960 0.001 0.000 0.252 218 G C 0.777 175.677 174.900 -0.001 0.000 0.994 218 G CA 0.521 45.619 45.100 -0.004 0.000 0.698 218 G HN 0.436 nan 8.290 nan 0.000 0.521 219 Q N -1.435 118.368 119.800 0.005 0.000 2.217 219 Q HA 0.461 4.801 4.340 0.001 0.000 0.217 219 Q C 1.874 177.879 176.000 0.008 0.000 0.844 219 Q CA 1.013 56.817 55.803 0.003 0.000 0.957 219 Q CB 0.759 29.496 28.738 -0.002 0.000 1.127 219 Q HN 1.425 nan 8.270 nan 0.000 0.503 220 G N 0.338 109.148 108.800 0.018 0.000 2.184 220 G HA2 -0.181 3.780 3.960 0.001 0.000 0.206 220 G HA3 -0.181 3.780 3.960 0.001 0.000 0.206 220 G C -0.228 174.687 174.900 0.026 0.000 0.995 220 G CA -0.522 44.591 45.100 0.021 0.000 0.651 220 G HN 0.195 nan 8.290 nan 0.000 0.511 221 N N 1.206 119.922 118.700 0.026 0.000 2.499 221 N HA 0.660 5.401 4.740 0.001 0.000 0.281 221 N C -0.004 175.536 175.510 0.049 0.000 1.098 221 N CA 0.918 53.985 53.050 0.027 0.000 0.979 221 N CB 1.668 40.164 38.487 0.015 0.000 1.121 221 N HN 1.162 nan 8.380 nan 0.000 0.466 222 A N 2.080 124.929 122.820 0.049 0.000 2.518 222 A HA 0.501 4.822 4.320 0.001 0.000 0.295 222 A C -0.608 177.017 177.584 0.068 0.000 1.052 222 A CA -0.782 51.301 52.037 0.077 0.000 0.824 222 A CB 0.468 19.532 19.000 0.106 0.000 1.325 222 A HN 0.650 nan 8.150 nan 0.000 0.394 223 I N -0.440 120.168 120.570 0.063 0.000 3.002 223 I HA 0.959 5.129 4.170 0.001 0.000 0.310 223 I C -0.792 175.378 176.117 0.087 0.000 1.087 223 I CA -1.324 59.984 61.300 0.014 0.000 1.017 223 I CB 2.160 40.102 38.000 -0.096 0.000 1.226 223 I HN 0.765 nan 8.210 nan 0.000 0.443 224 Y N 1.998 122.295 120.300 -0.004 0.000 2.524 224 Y HA 0.821 5.371 4.550 0.000 0.000 0.344 224 Y C -1.431 174.466 175.900 -0.006 0.000 1.012 224 Y CA -1.703 56.398 58.100 0.001 0.000 1.068 224 Y CB 1.403 39.841 38.460 -0.036 0.000 1.249 224 Y HN 0.448 nan 8.280 nan 0.000 0.468 225 L N 3.506 124.796 121.223 0.112 0.000 2.495 225 L HA 0.758 5.098 4.340 0.001 0.000 0.248 225 L C 0.470 177.408 176.870 0.112 0.000 1.229 225 L CA -0.067 54.798 54.840 0.043 0.000 0.942 225 L CB 0.282 42.356 42.059 0.026 0.000 1.242 225 L HN 1.156 nan 8.230 nan 0.000 0.484 226 A N 0.932 123.857 122.820 0.174 0.000 6.182 226 A HA -0.082 4.238 4.320 0.001 0.000 0.285 226 A C 0.479 178.119 177.584 0.092 0.000 1.979 226 A CA 1.414 53.529 52.037 0.131 0.000 0.740 226 A CB -0.540 18.502 19.000 0.070 0.000 1.172 226 A HN 0.771 nan 8.150 nan 0.000 0.388 227 E N 0.265 120.490 120.200 0.041 0.000 2.404 227 E HA 0.832 5.182 4.350 0.001 0.000 0.264 227 E C -0.491 176.130 176.600 0.035 0.000 0.946 227 E CA -0.876 55.545 56.400 0.035 0.000 0.806 227 E CB 1.246 30.938 29.700 -0.014 0.000 1.334 227 E HN 0.816 nan 8.360 nan 0.000 0.429 228 R N 0.023 120.559 120.500 0.061 0.000 2.651 228 R HA 0.326 4.667 4.340 0.001 0.000 0.278 228 R C -1.272 175.085 176.300 0.094 0.000 1.010 228 R CA -0.847 55.286 56.100 0.056 0.000 0.896 228 R CB 1.627 31.969 30.300 0.069 0.000 1.211 228 R HN 0.518 nan 8.270 nan 0.000 0.456 229 D N 1.592 122.042 120.400 0.084 0.000 2.317 229 D HA 0.194 4.834 4.640 0.001 0.000 0.234 229 D C -0.355 176.012 176.300 0.111 0.000 1.112 229 D CA -0.310 53.763 54.000 0.120 0.000 0.840 229 D CB 1.140 42.005 40.800 0.109 0.000 1.078 229 D HN 0.534 nan 8.370 nan 0.000 0.486 230 C N 2.902 122.275 119.300 0.121 0.000 2.557 230 C HA 0.153 4.613 4.460 0.001 0.000 0.281 230 C C 1.815 176.768 174.990 -0.061 0.000 1.490 230 C CA -0.472 58.527 59.018 -0.033 0.000 1.771 230 C CB -1.292 26.316 27.740 -0.219 0.000 2.887 230 C HN 0.541 nan 8.230 nan 0.000 0.527 231 S N 0.464 116.203 115.700 0.065 0.000 2.515 231 S HA 0.055 4.525 4.470 0.001 0.000 0.231 231 S C 0.854 175.473 174.600 0.031 0.000 0.987 231 S CA 0.748 58.990 58.200 0.070 0.000 0.936 231 S CB -0.134 63.136 63.200 0.116 0.000 0.766 231 S HN 0.588 nan 8.310 nan 0.000 0.528 232 M N 2.965 122.571 119.600 0.011 0.000 2.383 232 M HA 0.339 4.819 4.480 0.001 0.000 0.337 232 M C -0.166 176.100 176.300 -0.056 0.000 1.422 232 M CA 0.746 56.040 55.300 -0.010 0.000 1.333 232 M CB -0.437 32.130 32.600 -0.055 0.000 1.488 232 M HN 0.304 nan 8.290 nan 0.000 0.454 233 Q N 1.526 121.298 119.800 -0.046 0.000 2.451 233 Q HA 0.630 4.971 4.340 0.001 0.000 0.281 233 Q C -0.555 175.401 176.000 -0.073 0.000 1.099 233 Q CA -0.916 54.836 55.803 -0.085 0.000 0.806 233 Q CB 3.485 32.169 28.738 -0.089 0.000 1.419 233 Q HN 0.504 nan 8.270 nan 0.000 0.427 234 R N 1.525 121.956 120.500 -0.115 0.000 2.500 234 R HA 0.349 4.689 4.340 0.001 0.000 0.299 234 R C -0.975 175.248 176.300 -0.130 0.000 1.038 234 R CA -0.290 55.716 56.100 -0.156 0.000 0.903 234 R CB 0.705 30.820 30.300 -0.309 0.000 1.177 234 R HN 0.811 nan 8.270 nan 0.000 0.455 235 R N 3.043 123.511 120.500 -0.053 0.000 3.332 235 R HA -0.254 4.086 4.340 0.001 0.000 0.263 235 R C -0.203 176.155 176.300 0.096 0.000 1.053 235 R CA 1.329 57.433 56.100 0.007 0.000 0.705 235 R CB -2.015 28.263 30.300 -0.035 0.000 1.166 235 R HN 1.099 nan 8.270 nan 0.000 0.427 236 H N -2.514 116.536 119.070 -0.034 0.000 3.882 236 H HA -0.206 4.350 4.556 0.001 0.000 0.165 236 H C -0.657 174.634 175.328 -0.061 0.000 0.896 236 H CA 2.309 58.340 56.048 -0.029 0.000 1.243 236 H CB -0.575 29.186 29.762 -0.001 0.000 0.958 236 H HN 0.659 nan 8.280 nan 0.000 0.400 237 Q N 1.647 121.373 119.800 -0.125 0.000 2.241 237 Q HA 0.363 4.704 4.340 0.001 0.000 0.254 237 Q C -0.227 175.662 176.000 -0.184 0.000 0.917 237 Q CA -0.757 54.941 55.803 -0.175 0.000 0.919 237 Q CB 1.607 30.278 28.738 -0.113 0.000 1.237 237 Q HN 0.289 nan 8.270 nan 0.000 0.434 238 K N 1.009 121.283 120.400 -0.209 0.000 2.295 238 K HA 0.151 4.471 4.320 0.001 0.000 0.270 238 K C 0.044 176.567 176.600 -0.128 0.000 1.011 238 K CA -0.177 55.998 56.287 -0.187 0.000 0.953 238 K CB 1.024 33.396 32.500 -0.214 0.000 0.956 238 K HN 0.358 nan 8.250 nan 0.000 0.477 239 V N 1.219 121.072 119.914 -0.101 0.000 3.251 239 V HA 0.047 4.167 4.120 0.001 0.000 0.239 239 V C -0.381 175.680 176.094 -0.055 0.000 1.332 239 V CA -0.005 62.253 62.300 -0.070 0.000 1.224 239 V CB 1.415 33.195 31.823 -0.072 0.000 1.004 239 V HN 0.480 nan 8.190 nan 0.000 0.464 240 V N 1.518 121.394 119.914 -0.062 0.000 2.624 240 V HA 0.467 4.587 4.120 0.001 0.000 0.294 240 V C -1.207 174.888 176.094 0.002 0.000 1.077 240 V CA -0.720 61.557 62.300 -0.037 0.000 0.905 240 V CB 1.851 33.613 31.823 -0.103 0.000 1.025 240 V HN 0.358 nan 8.190 nan 0.000 0.440 241 E N 3.147 123.356 120.200 0.016 0.000 2.248 241 E HA 0.766 5.117 4.350 0.001 0.000 0.272 241 E C -0.295 176.352 176.600 0.079 0.000 1.008 241 E CA -0.668 55.751 56.400 0.031 0.000 0.856 241 E CB 1.719 31.418 29.700 -0.002 0.000 1.120 241 E HN 0.867 nan 8.360 nan 0.000 0.397 242 E N -0.150 120.098 120.200 0.079 0.000 2.433 242 E HA 0.815 5.165 4.350 0.001 0.000 0.278 242 E C -1.637 174.931 176.600 -0.054 0.000 0.976 242 E CA -1.457 54.980 56.400 0.061 0.000 0.793 242 E CB 1.745 31.568 29.700 0.205 0.000 1.311 242 E HN 0.440 nan 8.360 nan 0.000 0.460 243 A N 1.688 124.361 122.820 -0.246 0.000 2.540 243 A HA 0.638 4.958 4.320 0.001 0.000 0.297 243 A C -2.910 174.340 177.584 -0.555 0.000 1.056 243 A CA -1.318 50.564 52.037 -0.258 0.000 0.700 243 A CB 1.591 20.532 19.000 -0.098 0.000 1.280 243 A HN 0.476 nan 8.150 nan 0.000 0.398 244 P HA 0.446 nan 4.420 nan 0.000 0.296 244 P C -0.001 177.234 177.300 -0.109 0.000 1.295 244 P CA -0.053 62.954 63.100 -0.156 0.000 0.754 244 P CB 0.529 32.199 31.700 -0.051 0.000 1.311 245 A N -0.140 122.667 122.820 -0.022 0.000 2.306 245 A HA 0.603 4.924 4.320 0.001 0.000 0.314 245 A C -2.327 175.279 177.584 0.037 0.000 1.164 245 A CA -1.676 50.371 52.037 0.016 0.000 0.822 245 A CB -0.699 18.287 19.000 -0.024 0.000 1.130 245 A HN 0.327 nan 8.150 nan 0.000 0.496 246 P HA 0.349 nan 4.420 nan 0.000 0.275 246 P C 0.993 178.288 177.300 -0.008 0.000 1.227 246 P CA 1.451 64.555 63.100 0.007 0.000 0.781 246 P CB 1.049 32.713 31.700 -0.060 0.000 0.906 247 G N 2.355 111.147 108.800 -0.013 0.000 2.199 247 G HA2 -0.203 3.757 3.960 0.001 0.000 0.254 247 G HA3 -0.203 3.757 3.960 0.001 0.000 0.254 247 G C 0.131 175.042 174.900 0.019 0.000 0.982 247 G CA -0.405 44.701 45.100 0.010 0.000 0.632 247 G HN 0.500 nan 8.290 nan 0.000 0.529 248 I N 3.095 123.659 120.570 -0.010 0.000 2.308 248 I HA 0.253 4.423 4.170 0.001 0.000 0.293 248 I C 1.376 177.496 176.117 0.005 0.000 1.078 248 I CA 0.338 61.621 61.300 -0.027 0.000 1.292 248 I CB 0.248 38.203 38.000 -0.074 0.000 1.423 248 I HN 0.311 nan 8.210 nan 0.000 0.493 249 T N 5.826 120.391 114.554 0.019 0.000 2.926 249 T HA 0.188 4.538 4.350 0.001 0.000 0.307 249 T C -1.543 173.176 174.700 0.032 0.000 1.059 249 T CA -1.137 60.978 62.100 0.025 0.000 1.122 249 T CB 1.253 70.136 68.868 0.025 0.000 0.972 249 T HN 0.330 nan 8.240 nan 0.000 0.545 250 P HA -0.107 nan 4.420 nan 0.000 0.219 250 P C 1.455 178.786 177.300 0.051 0.000 1.146 250 P CA 0.996 64.125 63.100 0.048 0.000 0.808 250 P CB 0.095 31.825 31.700 0.049 0.000 0.779 251 E N -0.261 119.963 120.200 0.041 0.000 2.076 251 E HA -0.069 4.281 4.350 0.001 0.000 0.190 251 E C 2.220 178.854 176.600 0.057 0.000 0.979 251 E CA 0.674 57.099 56.400 0.042 0.000 0.807 251 E CB -1.311 28.404 29.700 0.024 0.000 0.761 251 E HN 0.259 nan 8.360 nan 0.000 0.454 252 L N 0.920 122.177 121.223 0.057 0.000 2.046 252 L HA -0.121 4.220 4.340 0.001 0.000 0.208 252 L C 3.093 180.019 176.870 0.094 0.000 1.077 252 L CA 1.390 56.297 54.840 0.112 0.000 0.747 252 L CB -0.233 41.895 42.059 0.116 0.000 0.896 252 L HN 0.127 nan 8.230 nan 0.000 0.432 253 R N 0.002 120.519 120.500 0.029 0.000 2.091 253 R HA -0.243 4.097 4.340 0.001 0.000 0.238 253 R C 2.456 178.675 176.300 -0.135 0.000 1.136 253 R CA 1.747 57.819 56.100 -0.047 0.000 0.959 253 R CB -0.294 30.018 30.300 0.020 0.000 0.856 253 R HN 0.219 nan 8.270 nan 0.000 0.437 254 R N -0.621 119.856 120.500 -0.037 0.000 2.092 254 R HA -0.192 4.149 4.340 0.001 0.000 0.231 254 R C 2.064 178.274 176.300 -0.150 0.000 1.119 254 R CA 1.687 57.751 56.100 -0.060 0.000 0.970 254 R CB -0.469 29.861 30.300 0.049 0.000 0.864 254 R HN 0.385 nan 8.270 nan 0.000 0.440 255 Y N 0.916 121.099 120.300 -0.194 0.000 2.034 255 Y HA -0.304 4.247 4.550 0.001 0.000 0.269 255 Y C 2.150 177.840 175.900 -0.351 0.000 1.125 255 Y CA 2.090 60.069 58.100 -0.201 0.000 1.097 255 Y CB -0.539 37.856 38.460 -0.109 0.000 0.978 255 Y HN 0.055 nan 8.280 nan 0.000 0.480 256 I N 1.050 121.311 120.570 -0.515 0.000 2.399 256 I HA -0.213 3.957 4.170 0.001 0.000 0.254 256 I C 2.291 177.908 176.117 -0.835 0.000 1.146 256 I CA 1.984 62.760 61.300 -0.874 0.000 1.412 256 I CB -0.780 36.409 38.000 -1.353 0.000 1.076 256 I HN 0.476 nan 8.210 nan 0.000 0.432 257 G N -1.022 107.225 108.800 -0.922 0.000 2.408 257 G HA2 -0.164 3.796 3.960 0.001 0.000 0.215 257 G HA3 -0.164 3.796 3.960 0.001 0.000 0.215 257 G C 1.580 175.830 174.900 -1.084 0.000 1.156 257 G CA 0.392 44.673 45.100 -1.364 0.000 0.793 257 G HN 0.431 nan 8.290 nan 0.000 0.535 258 E N 0.004 119.720 120.200 -0.807 0.000 2.150 258 E HA -0.022 4.329 4.350 0.001 0.000 0.193 258 E C 2.680 179.081 176.600 -0.332 0.000 0.985 258 E CA 0.301 56.482 56.400 -0.365 0.000 0.814 258 E CB 0.020 29.573 29.700 -0.246 0.000 0.752 258 E HN 0.266 nan 8.360 nan 0.000 0.466 259 R N -0.397 119.820 120.500 -0.470 0.000 2.153 259 R HA -0.015 4.325 4.340 0.001 0.000 0.218 259 R C 2.270 178.300 176.300 -0.450 0.000 1.072 259 R CA 0.485 56.322 56.100 -0.438 0.000 0.990 259 R CB -0.166 29.795 30.300 -0.565 0.000 0.889 259 R HN 0.269 nan 8.270 nan 0.000 0.452 260 C N 0.046 119.015 119.300 -0.552 0.000 2.518 260 C HA 0.041 4.502 4.460 0.001 0.000 0.279 260 C C 2.916 177.679 174.990 -0.379 0.000 1.279 260 C CA 0.856 59.419 59.018 -0.758 0.000 1.703 260 C CB -0.754 26.518 27.740 -0.779 0.000 2.072 260 C HN 0.564 nan 8.230 nan 0.000 0.487 261 A N 0.300 123.014 122.820 -0.177 0.000 1.892 261 A HA -0.275 4.046 4.320 0.001 0.000 0.218 261 A C 2.182 179.758 177.584 -0.013 0.000 1.188 261 A CA 2.079 54.118 52.037 0.003 0.000 0.631 261 A CB -0.649 18.419 19.000 0.113 0.000 0.822 261 A HN 0.686 nan 8.150 nan 0.000 0.447 262 K N -0.729 119.627 120.400 -0.074 0.000 2.020 262 K HA -0.172 4.148 4.320 0.001 0.000 0.212 262 K C 2.333 178.909 176.600 -0.039 0.000 1.050 262 K CA 1.293 57.546 56.287 -0.057 0.000 0.929 262 K CB -0.390 32.055 32.500 -0.092 0.000 0.714 262 K HN 0.444 nan 8.250 nan 0.000 0.443 263 A N 0.941 123.711 122.820 -0.083 0.000 1.927 263 A HA -0.262 4.058 4.320 0.001 0.000 0.220 263 A C 2.485 180.108 177.584 0.066 0.000 1.185 263 A CA 1.976 53.991 52.037 -0.037 0.000 0.639 263 A CB -1.189 17.749 19.000 -0.104 0.000 0.820 263 A HN 0.537 nan 8.150 nan 0.000 0.451 264 C N -1.465 117.904 119.300 0.115 0.000 2.413 264 C HA -0.089 4.372 4.460 0.001 0.000 0.276 264 C C 2.803 177.879 174.990 0.143 0.000 1.236 264 C CA 1.287 60.407 59.018 0.171 0.000 1.735 264 C CB -1.218 26.640 27.740 0.197 0.000 2.031 264 C HN 0.487 nan 8.230 nan 0.000 0.474 265 V N 0.492 120.459 119.914 0.088 0.000 2.427 265 V HA -0.175 3.945 4.120 0.001 0.000 0.248 265 V C 2.035 178.159 176.094 0.049 0.000 1.051 265 V CA 2.253 64.593 62.300 0.065 0.000 1.048 265 V CB -0.726 31.120 31.823 0.038 0.000 0.666 265 V HN 0.462 nan 8.190 nan 0.000 0.456 266 D N 0.501 120.921 120.400 0.033 0.000 2.092 266 D HA -0.157 4.483 4.640 0.001 0.000 0.193 266 D C 1.885 178.202 176.300 0.029 0.000 0.994 266 D CA 1.905 55.915 54.000 0.017 0.000 0.828 266 D CB -0.240 40.558 40.800 -0.004 0.000 0.963 266 D HN 0.643 nan 8.370 nan 0.000 0.450 267 I N -3.412 117.188 120.570 0.049 0.000 3.428 267 I HA 0.252 4.422 4.170 0.001 0.000 0.286 267 I C 1.066 177.234 176.117 0.086 0.000 1.287 267 I CA 0.591 61.928 61.300 0.062 0.000 1.396 267 I CB -0.233 37.807 38.000 0.067 0.000 1.062 267 I HN 0.044 nan 8.210 nan 0.000 0.471 268 G N 1.361 110.216 108.800 0.091 0.000 2.298 268 G HA2 -0.349 3.612 3.960 0.001 0.000 0.287 268 G HA3 -0.349 3.612 3.960 0.001 0.000 0.287 268 G C -0.144 174.823 174.900 0.112 0.000 1.075 268 G CA 0.155 45.303 45.100 0.080 0.000 0.960 268 G HN 0.660 nan 8.290 nan 0.000 0.502 269 Y N 0.513 120.828 120.300 0.024 0.000 2.359 269 Y HA 0.530 5.080 4.550 0.001 0.000 0.330 269 Y C 0.884 176.796 175.900 0.020 0.000 1.143 269 Y CA -0.398 57.716 58.100 0.024 0.000 1.318 269 Y CB 0.661 39.141 38.460 0.033 0.000 1.234 269 Y HN 0.414 nan 8.280 nan 0.000 0.522 270 R N 4.850 125.016 120.500 -0.557 0.000 2.476 270 R HA 0.594 4.935 4.340 0.001 0.000 0.305 270 R C -0.332 175.648 176.300 -0.534 0.000 0.965 270 R CA 0.290 56.163 56.100 -0.379 0.000 0.867 270 R CB 0.919 31.092 30.300 -0.211 0.000 1.176 270 R HN 0.980 nan 8.270 nan 0.000 0.447 271 G N 2.135 110.787 108.800 -0.247 0.000 2.500 271 G HA2 0.018 3.978 3.960 0.001 0.000 0.209 271 G HA3 0.018 3.978 3.960 0.001 0.000 0.209 271 G C -1.111 173.822 174.900 0.055 0.000 1.283 271 G CA -0.422 44.589 45.100 -0.147 0.000 0.960 271 G HN 0.869 nan 8.290 nan 0.000 0.528 272 A N -0.347 122.520 122.820 0.077 0.000 2.331 272 A HA 0.956 5.277 4.320 0.001 0.000 0.283 272 A C 0.801 178.557 177.584 0.288 0.000 1.142 272 A CA 1.137 53.276 52.037 0.170 0.000 0.812 272 A CB 1.010 20.051 19.000 0.068 0.000 1.074 272 A HN 2.532 nan 8.150 nan 0.000 0.497 273 G N -0.230 108.696 108.800 0.209 0.000 2.682 273 G HA2 0.650 4.610 3.960 0.001 0.000 0.290 273 G HA3 0.650 4.610 3.960 0.001 0.000 0.290 273 G C -1.115 173.741 174.900 -0.074 0.000 1.425 273 G CA -0.390 44.721 45.100 0.018 0.000 0.807 273 G HN 0.845 nan 8.290 nan 0.000 0.482 274 T N 0.214 114.655 114.554 -0.187 0.000 2.916 274 T HA 0.513 4.863 4.350 0.001 0.000 0.298 274 T C -1.418 173.151 174.700 -0.220 0.000 1.031 274 T CA -0.252 61.798 62.100 -0.084 0.000 0.993 274 T CB 1.419 70.298 68.868 0.017 0.000 1.045 274 T HN 0.297 nan 8.240 nan 0.000 0.454 275 F N 2.163 122.130 119.950 0.030 0.000 2.385 275 F HA 0.336 4.863 4.527 0.001 0.000 0.360 275 F C 1.087 176.818 175.800 -0.116 0.000 1.122 275 F CA -0.760 57.225 58.000 -0.026 0.000 1.090 275 F CB 0.933 39.971 39.000 0.063 0.000 1.150 275 F HN 0.439 nan 8.300 nan 0.000 0.472 276 E N 3.872 123.963 120.200 -0.181 0.000 2.313 276 E HA 0.398 4.749 4.350 0.001 0.000 0.276 276 E C -1.102 175.230 176.600 -0.447 0.000 1.031 276 E CA -0.148 56.125 56.400 -0.211 0.000 0.857 276 E CB 1.219 30.796 29.700 -0.205 0.000 1.040 276 E HN 0.365 nan 8.360 nan 0.000 0.408 277 F N 1.271 121.125 119.950 -0.161 0.000 2.629 277 F HA 0.379 4.907 4.527 0.001 0.000 0.316 277 F C -0.668 175.085 175.800 -0.080 0.000 1.081 277 F CA -1.079 56.907 58.000 -0.024 0.000 0.954 277 F CB 1.038 40.163 39.000 0.208 0.000 1.337 277 F HN 0.189 nan 8.300 nan 0.000 0.474 278 L N 1.889 123.305 121.223 0.322 0.000 2.341 278 L HA 0.456 4.796 4.340 0.001 0.000 0.278 278 L C -1.280 175.844 176.870 0.423 0.000 1.005 278 L CA -0.832 54.156 54.840 0.245 0.000 0.818 278 L CB 1.273 43.436 42.059 0.173 0.000 1.259 278 L HN 0.524 nan 8.230 nan 0.000 0.418 279 F N 3.515 123.526 119.950 0.101 0.000 2.449 279 F HA 0.549 5.076 4.527 0.000 0.000 0.342 279 F C -0.155 175.645 175.800 -0.001 0.000 1.127 279 F CA -0.220 57.762 58.000 -0.030 0.000 0.975 279 F CB 1.096 40.016 39.000 -0.134 0.000 1.146 279 F HN 0.534 nan 8.300 nan 0.000 0.444 280 E N 5.594 125.550 120.200 -0.407 0.000 2.349 280 E HA 0.182 4.532 4.350 0.001 0.000 0.290 280 E C -1.159 175.211 176.600 -0.383 0.000 0.901 280 E CA -0.570 55.642 56.400 -0.312 0.000 0.800 280 E CB 0.801 30.461 29.700 -0.066 0.000 1.303 280 E HN 0.811 nan 8.360 nan 0.000 0.397 281 N N 2.740 121.174 118.700 -0.444 0.000 2.783 281 N HA -0.202 4.539 4.740 0.001 0.000 0.247 281 N C 0.587 175.844 175.510 -0.422 0.000 1.089 281 N CA 1.161 54.013 53.050 -0.331 0.000 0.690 281 N CB -1.729 36.664 38.487 -0.158 0.000 0.991 281 N HN 0.982 nan 8.380 nan 0.000 0.552 282 G N -1.156 107.200 108.800 -0.740 0.000 2.175 282 G HA2 -0.341 3.619 3.960 0.001 0.000 0.265 282 G HA3 -0.341 3.619 3.960 0.001 0.000 0.265 282 G C -0.254 174.386 174.900 -0.434 0.000 0.979 282 G CA 0.931 45.715 45.100 -0.525 0.000 0.663 282 G HN 0.557 nan 8.290 nan 0.000 0.533 283 E N -0.680 119.140 120.200 -0.633 0.000 2.183 283 E HA 0.616 4.967 4.350 0.001 0.000 0.271 283 E C -0.590 175.657 176.600 -0.587 0.000 0.919 283 E CA -0.688 55.406 56.400 -0.511 0.000 0.781 283 E CB 1.201 30.621 29.700 -0.467 0.000 1.140 283 E HN 0.153 nan 8.360 nan 0.000 0.402 284 F N 1.445 121.247 119.950 -0.247 0.000 2.422 284 F HA 0.350 4.877 4.527 0.000 0.000 0.333 284 F C -0.220 175.401 175.800 -0.298 0.000 1.095 284 F CA -0.642 57.285 58.000 -0.121 0.000 1.038 284 F CB 0.935 39.786 39.000 -0.250 0.000 1.156 284 F HN 0.320 nan 8.300 nan 0.000 0.483 285 Y N 3.029 123.692 120.300 0.606 0.000 2.373 285 Y HA 0.242 4.792 4.550 0.001 0.000 0.327 285 Y C -0.353 175.817 175.900 0.449 0.000 1.036 285 Y CA -1.222 57.151 58.100 0.456 0.000 1.265 285 Y CB 0.898 39.499 38.460 0.235 0.000 1.108 285 Y HN 0.482 nan 8.280 nan 0.000 0.471 286 F N 3.869 124.050 119.950 0.386 0.000 2.623 286 F HA 0.010 4.537 4.527 0.001 0.000 0.386 286 F C 0.221 176.035 175.800 0.023 0.000 1.068 286 F CA 0.710 58.681 58.000 -0.049 0.000 1.265 286 F CB 0.477 39.396 39.000 -0.135 0.000 1.026 286 F HN 0.551 nan 8.300 nan 0.000 0.568 287 I N 3.686 123.683 120.570 -0.955 0.000 3.393 287 I HA 0.120 4.290 4.170 0.001 0.000 0.250 287 I C -0.161 175.416 176.117 -0.900 0.000 1.122 287 I CA 0.060 60.997 61.300 -0.604 0.000 1.484 287 I CB 0.080 37.867 38.000 -0.356 0.000 1.468 287 I HN 0.599 nan 8.210 nan 0.000 0.461 288 K N 0.477 120.129 120.400 -1.247 0.000 2.578 288 K HA 0.452 4.773 4.320 0.001 0.000 0.287 288 K C -1.367 174.937 176.600 -0.494 0.000 1.010 288 K CA -0.805 55.054 56.287 -0.713 0.000 0.889 288 K CB 2.407 34.779 32.500 -0.214 0.000 1.514 288 K HN -0.075 nan 8.250 nan 0.000 0.424 289 M N 2.669 122.236 119.600 -0.054 0.000 2.259 289 M HA 0.333 4.814 4.480 0.001 0.000 0.304 289 M C -1.591 174.637 176.300 -0.121 0.000 1.019 289 M CA -0.536 54.693 55.300 -0.118 0.000 0.922 289 M CB 1.730 34.213 32.600 -0.195 0.000 1.600 289 M HN 0.676 nan 8.290 nan 0.000 0.433 290 N N 3.640 122.262 118.700 -0.129 0.000 2.406 290 N HA 0.129 4.869 4.740 0.001 0.000 0.251 290 N C -0.052 175.446 175.510 -0.020 0.000 1.069 290 N CA 0.112 53.136 53.050 -0.042 0.000 0.947 290 N CB 1.218 39.702 38.487 -0.004 0.000 1.111 290 N HN 0.592 nan 8.380 nan 0.000 0.497 291 T N 0.760 115.356 114.554 0.070 0.000 4.099 291 T HA 0.237 4.588 4.350 0.001 0.000 0.223 291 T C 0.531 175.354 174.700 0.205 0.000 0.968 291 T CA -0.537 61.692 62.100 0.215 0.000 0.966 291 T CB -0.425 68.593 68.868 0.250 0.000 1.328 291 T HN 0.706 nan 8.240 nan 0.000 0.783 292 R N -0.669 119.929 120.500 0.164 0.000 2.832 292 R HA 0.491 4.831 4.340 0.001 0.000 0.283 292 R C -2.007 174.364 176.300 0.117 0.000 0.998 292 R CA -1.131 55.050 56.100 0.135 0.000 0.843 292 R CB 0.279 30.669 30.300 0.151 0.000 1.332 292 R HN 0.176 nan 8.270 nan 0.000 0.490 293 I N 1.741 122.381 120.570 0.117 0.000 2.395 293 I HA 0.186 4.356 4.170 0.001 0.000 0.289 293 I C -0.138 176.092 176.117 0.189 0.000 1.023 293 I CA -0.080 61.279 61.300 0.097 0.000 1.350 293 I CB 1.340 39.343 38.000 0.006 0.000 1.409 293 I HN 0.434 nan 8.210 nan 0.000 0.507 294 Q N 4.589 124.497 119.800 0.180 0.000 2.212 294 Q HA 0.248 4.589 4.340 0.001 0.000 0.238 294 Q C 1.064 177.216 176.000 0.254 0.000 0.955 294 Q CA -0.712 55.184 55.803 0.155 0.000 0.906 294 Q CB 1.776 30.561 28.738 0.078 0.000 1.215 294 Q HN 0.580 nan 8.270 nan 0.000 0.478 295 V N 1.357 121.224 119.914 -0.078 0.000 2.231 295 V HA -0.278 3.842 4.120 0.001 0.000 0.248 295 V C 1.908 178.017 176.094 0.026 0.000 1.054 295 V CA 2.388 64.633 62.300 -0.090 0.000 1.015 295 V CB -0.560 31.045 31.823 -0.364 0.000 0.638 295 V HN 0.858 nan 8.190 nan 0.000 0.444 296 E N 1.090 121.273 120.200 -0.028 0.000 2.438 296 E HA -0.196 4.155 4.350 0.001 0.000 0.192 296 E C 1.648 178.235 176.600 -0.022 0.000 1.110 296 E CA 0.577 56.950 56.400 -0.045 0.000 0.893 296 E CB -0.868 28.813 29.700 -0.033 0.000 0.990 296 E HN 0.937 nan 8.360 nan 0.000 0.490 297 H N 0.579 119.670 119.070 0.036 0.000 2.457 297 H HA 0.026 4.583 4.556 0.001 0.000 0.297 297 H C -0.960 174.389 175.328 0.035 0.000 1.092 297 H CA 0.772 56.848 56.048 0.045 0.000 1.309 297 H CB -1.438 28.363 29.762 0.063 0.000 1.382 297 H HN 0.153 nan 8.280 nan 0.000 0.535 298 P HA -0.159 nan 4.420 nan 0.000 0.216 298 P C 2.335 179.599 177.300 -0.060 0.000 1.150 298 P CA 2.042 64.998 63.100 -0.240 0.000 0.837 298 P CB -0.304 31.222 31.700 -0.290 0.000 0.786 299 V N -3.253 116.639 119.914 -0.035 0.000 2.392 299 V HA -0.248 3.873 4.120 0.001 0.000 0.249 299 V C 1.941 178.049 176.094 0.022 0.000 1.059 299 V CA 2.648 64.953 62.300 0.007 0.000 1.051 299 V CB -2.402 29.422 31.823 0.001 0.000 0.658 299 V HN 0.070 nan 8.190 nan 0.000 0.455 300 T N 0.279 114.852 114.554 0.031 0.000 2.867 300 T HA -0.098 4.253 4.350 0.001 0.000 0.268 300 T C 1.785 176.514 174.700 0.048 0.000 1.057 300 T CA 1.784 63.913 62.100 0.049 0.000 1.136 300 T CB -0.309 68.605 68.868 0.077 0.000 0.874 300 T HN 0.706 nan 8.240 nan 0.000 0.466 301 E N 0.824 121.053 120.200 0.048 0.000 2.106 301 E HA -0.077 4.273 4.350 0.001 0.000 0.192 301 E C 2.219 178.814 176.600 -0.008 0.000 0.984 301 E CA 0.871 57.291 56.400 0.035 0.000 0.806 301 E CB -0.126 29.605 29.700 0.051 0.000 0.750 301 E HN 0.406 nan 8.360 nan 0.000 0.458 302 M N 0.551 120.144 119.600 -0.011 0.000 2.077 302 M HA -0.104 4.377 4.480 0.001 0.000 0.261 302 M C 2.717 179.004 176.300 -0.023 0.000 1.070 302 M CA 1.385 56.640 55.300 -0.075 0.000 1.125 302 M CB -1.181 31.454 32.600 0.057 0.000 1.339 302 M HN 0.199 nan 8.290 nan 0.000 0.409 303 I N -1.105 119.541 120.570 0.126 0.000 2.394 303 I HA -0.146 4.025 4.170 0.001 0.000 0.251 303 I C 2.265 178.441 176.117 0.099 0.000 1.136 303 I CA 1.829 63.238 61.300 0.181 0.000 1.425 303 I CB -1.011 37.061 38.000 0.120 0.000 1.079 303 I HN 0.330 nan 8.210 nan 0.000 0.425 304 T N -2.653 111.931 114.554 0.050 0.000 3.040 304 T HA 0.420 4.770 4.350 0.001 0.000 0.252 304 T C 1.713 176.422 174.700 0.015 0.000 1.064 304 T CA 0.476 62.597 62.100 0.036 0.000 1.110 304 T CB 0.186 69.065 68.868 0.018 0.000 0.921 304 T HN 0.721 nan 8.240 nan 0.000 0.480 305 G N 0.918 109.711 108.800 -0.012 0.000 2.159 305 G HA2 -0.207 3.754 3.960 0.001 0.000 0.256 305 G HA3 -0.207 3.754 3.960 0.001 0.000 0.256 305 G C 0.022 174.917 174.900 -0.009 0.000 0.977 305 G CA 0.037 45.119 45.100 -0.029 0.000 0.652 305 G HN 0.739 nan 8.290 nan 0.000 0.531 306 V N 0.929 120.845 119.914 0.004 0.000 2.567 306 V HA 0.504 4.624 4.120 0.001 0.000 0.289 306 V C 0.135 176.243 176.094 0.025 0.000 1.049 306 V CA -0.646 61.660 62.300 0.010 0.000 0.969 306 V CB 1.911 33.738 31.823 0.007 0.000 0.995 306 V HN 0.299 nan 8.190 nan 0.000 0.471 307 D N 3.377 123.790 120.400 0.022 0.000 2.428 307 D HA 0.268 4.909 4.640 0.001 0.000 0.221 307 D C 0.811 177.127 176.300 0.028 0.000 1.123 307 D CA -0.228 53.792 54.000 0.033 0.000 0.869 307 D CB 1.406 42.218 40.800 0.020 0.000 1.032 307 D HN 0.394 nan 8.370 nan 0.000 0.506 308 L N 4.002 125.251 121.223 0.044 0.000 2.083 308 L HA -0.163 4.178 4.340 0.001 0.000 0.209 308 L C 2.247 179.096 176.870 -0.034 0.000 1.083 308 L CA 0.713 55.557 54.840 0.007 0.000 0.752 308 L CB -0.269 41.799 42.059 0.015 0.000 0.899 308 L HN 0.511 nan 8.230 nan 0.000 0.433 309 I N 0.161 120.704 120.570 -0.045 0.000 2.163 309 I HA -0.251 3.919 4.170 0.001 0.000 0.240 309 I C 2.431 178.542 176.117 -0.009 0.000 1.081 309 I CA 1.626 62.902 61.300 -0.040 0.000 1.353 309 I CB -0.963 37.007 38.000 -0.051 0.000 1.054 309 I HN 0.255 nan 8.210 nan 0.000 0.407 310 K N 0.445 120.842 120.400 -0.005 0.000 2.209 310 K HA -0.158 4.162 4.320 0.001 0.000 0.204 310 K C 2.010 178.605 176.600 -0.009 0.000 1.048 310 K CA 0.864 57.148 56.287 -0.004 0.000 0.940 310 K CB 0.027 32.527 32.500 -0.001 0.000 0.729 310 K HN 0.189 nan 8.250 nan 0.000 0.451 311 E N 0.857 121.051 120.200 -0.010 0.000 2.106 311 E HA -0.171 4.179 4.350 0.001 0.000 0.192 311 E C 1.946 178.530 176.600 -0.026 0.000 0.984 311 E CA 1.074 57.467 56.400 -0.013 0.000 0.806 311 E CB 0.030 29.727 29.700 -0.005 0.000 0.750 311 E HN 0.375 nan 8.360 nan 0.000 0.458 312 Q N 0.062 119.842 119.800 -0.033 0.000 2.050 312 Q HA -0.092 4.249 4.340 0.001 0.000 0.202 312 Q C 2.432 178.380 176.000 -0.086 0.000 0.980 312 Q CA 0.976 56.738 55.803 -0.068 0.000 0.840 312 Q CB -0.086 28.612 28.738 -0.066 0.000 0.898 312 Q HN 0.280 nan 8.270 nan 0.000 0.424 313 L N -0.101 121.090 121.223 -0.054 0.000 2.093 313 L HA -0.180 4.160 4.340 0.001 0.000 0.208 313 L C 2.457 179.302 176.870 -0.042 0.000 1.085 313 L CA 1.107 55.919 54.840 -0.047 0.000 0.755 313 L CB -0.331 41.719 42.059 -0.015 0.000 0.904 313 L HN 0.153 nan 8.230 nan 0.000 0.435 314 R N 0.093 120.573 120.500 -0.033 0.000 2.075 314 R HA -0.079 4.261 4.340 0.001 0.000 0.232 314 R C 2.300 178.579 176.300 -0.034 0.000 1.126 314 R CA 1.196 57.280 56.100 -0.027 0.000 0.963 314 R CB -0.311 29.978 30.300 -0.019 0.000 0.858 314 R HN 0.282 nan 8.270 nan 0.000 0.435 315 I N 0.710 121.254 120.570 -0.044 0.000 2.286 315 I HA -0.245 3.926 4.170 0.001 0.000 0.248 315 I C 2.455 178.535 176.117 -0.061 0.000 1.115 315 I CA 1.057 62.328 61.300 -0.049 0.000 1.392 315 I CB -0.279 37.688 38.000 -0.055 0.000 1.065 315 I HN 0.228 nan 8.210 nan 0.000 0.418 316 A N 0.534 123.308 122.820 -0.078 0.000 1.969 316 A HA -0.030 4.291 4.320 0.001 0.000 0.218 316 A C 2.228 179.781 177.584 -0.051 0.000 1.169 316 A CA 1.455 53.442 52.037 -0.084 0.000 0.635 316 A CB -0.532 18.398 19.000 -0.117 0.000 0.810 316 A HN 0.404 nan 8.150 nan 0.000 0.445 317 A N -1.223 121.573 122.820 -0.040 0.000 2.291 317 A HA 0.428 4.748 4.320 0.001 0.000 0.220 317 A C 1.591 179.161 177.584 -0.023 0.000 1.262 317 A CA 0.953 52.975 52.037 -0.026 0.000 0.867 317 A CB -1.337 17.650 19.000 -0.021 0.000 0.888 317 A HN 1.848 nan 8.150 nan 0.000 0.487 318 G N -1.034 107.749 108.800 -0.028 0.000 2.160 318 G HA2 -0.263 3.697 3.960 0.001 0.000 0.251 318 G HA3 -0.263 3.697 3.960 0.001 0.000 0.251 318 G C 0.025 174.913 174.900 -0.020 0.000 1.008 318 G CA 0.382 45.468 45.100 -0.024 0.000 0.724 318 G HN 0.641 nan 8.290 nan 0.000 0.514 319 Q N 0.640 120.427 119.800 -0.021 0.000 2.274 319 Q HA 0.369 4.709 4.340 0.001 0.000 0.256 319 Q C -2.137 173.853 176.000 -0.016 0.000 0.927 319 Q CA -1.818 53.974 55.803 -0.017 0.000 0.939 319 Q CB 1.536 30.264 28.738 -0.016 0.000 1.201 319 Q HN 0.208 nan 8.270 nan 0.000 0.426 320 P HA -0.024 nan 4.420 nan 0.000 0.269 320 P C -0.313 176.981 177.300 -0.010 0.000 1.209 320 P CA -0.023 63.071 63.100 -0.010 0.000 0.776 320 P CB 0.580 32.275 31.700 -0.008 0.000 0.876 321 L N 1.951 123.169 121.223 -0.007 0.000 2.628 321 L HA -0.104 4.236 4.340 0.001 0.000 0.274 321 L C 1.738 178.601 176.870 -0.012 0.000 1.209 321 L CA 0.424 55.259 54.840 -0.008 0.000 0.930 321 L CB -0.034 42.022 42.059 -0.005 0.000 1.183 321 L HN 0.528 nan 8.230 nan 0.000 0.492 322 S N 3.356 119.049 115.700 -0.013 0.000 2.368 322 S HA -0.030 4.441 4.470 0.001 0.000 0.224 322 S C 0.576 175.165 174.600 -0.018 0.000 1.029 322 S CA 0.371 58.563 58.200 -0.013 0.000 0.988 322 S CB -0.217 62.976 63.200 -0.011 0.000 0.838 322 S HN 0.426 nan 8.310 nan 0.000 0.462 323 I N 1.332 121.888 120.570 -0.024 0.000 2.612 323 I HA 0.487 4.657 4.170 0.001 0.000 0.295 323 I C 0.073 176.161 176.117 -0.048 0.000 1.011 323 I CA -0.427 60.851 61.300 -0.038 0.000 1.326 323 I CB 0.632 38.604 38.000 -0.047 0.000 1.427 323 I HN -0.061 nan 8.210 nan 0.000 0.537 324 K N 2.005 122.367 120.400 -0.064 0.000 2.259 324 K HA 0.322 4.643 4.320 0.001 0.000 0.249 324 K C 0.527 177.051 176.600 -0.127 0.000 0.942 324 K CA -0.603 55.639 56.287 -0.075 0.000 0.816 324 K CB 1.678 34.144 32.500 -0.057 0.000 1.155 324 K HN 0.452 nan 8.250 nan 0.000 0.428 325 Q N 1.432 121.145 119.800 -0.146 0.000 2.029 325 Q HA -0.258 4.083 4.340 0.001 0.000 0.209 325 Q C 0.521 176.375 176.000 -0.243 0.000 0.999 325 Q CA 2.448 58.109 55.803 -0.236 0.000 0.857 325 Q CB -0.052 28.560 28.738 -0.211 0.000 0.926 325 Q HN 0.675 nan 8.270 nan 0.000 0.415 326 E N 0.080 120.182 120.200 -0.164 0.000 2.448 326 E HA -0.200 4.150 4.350 0.001 0.000 0.203 326 E C 1.119 177.575 176.600 -0.240 0.000 1.046 326 E CA 1.403 57.706 56.400 -0.161 0.000 0.871 326 E CB -0.140 29.519 29.700 -0.069 0.000 0.790 326 E HN 0.576 nan 8.360 nan 0.000 0.545 327 E N 0.160 120.215 120.200 -0.243 0.000 2.460 327 E HA 0.065 4.416 4.350 0.001 0.000 0.200 327 E C -0.321 176.066 176.600 -0.355 0.000 1.011 327 E CA -0.048 56.212 56.400 -0.233 0.000 0.912 327 E CB 0.740 30.381 29.700 -0.098 0.000 0.953 327 E HN 0.037 nan 8.360 nan 0.000 0.494 328 V N 2.495 122.168 119.914 -0.402 0.000 2.387 328 V HA 0.096 4.217 4.120 0.001 0.000 0.260 328 V C -0.563 175.305 176.094 -0.376 0.000 1.054 328 V CA 0.038 62.143 62.300 -0.325 0.000 0.967 328 V CB -0.377 31.267 31.823 -0.298 0.000 1.036 328 V HN 0.183 nan 8.190 nan 0.000 0.481 329 H N 2.208 121.258 119.070 -0.034 0.000 2.589 329 H HA 0.486 5.043 4.556 0.001 0.000 0.335 329 H C -0.405 174.929 175.328 0.010 0.000 1.019 329 H CA -0.782 55.260 56.048 -0.010 0.000 1.213 329 H CB 1.888 31.651 29.762 0.001 0.000 1.472 329 H HN 0.458 nan 8.280 nan 0.000 0.508 330 V N 4.554 124.552 119.914 0.139 0.000 2.508 330 V HA 0.198 4.318 4.120 0.001 0.000 0.281 330 V C 0.290 176.452 176.094 0.113 0.000 1.041 330 V CA 0.269 62.631 62.300 0.103 0.000 1.016 330 V CB 0.469 32.337 31.823 0.075 0.000 0.984 330 V HN 0.717 nan 8.190 nan 0.000 0.478 331 R N 3.023 123.602 120.500 0.132 0.000 2.575 331 R HA 0.616 4.957 4.340 0.001 0.000 0.293 331 R C 0.376 176.794 176.300 0.197 0.000 0.983 331 R CA 0.372 56.559 56.100 0.146 0.000 0.887 331 R CB 1.920 32.313 30.300 0.155 0.000 1.184 331 R HN 1.040 nan 8.270 nan 0.000 0.445 332 G N 1.519 110.363 108.800 0.073 0.000 2.692 332 G HA2 -0.318 3.642 3.960 0.001 0.000 0.248 332 G HA3 -0.318 3.642 3.960 0.001 0.000 0.248 332 G C -1.120 173.727 174.900 -0.089 0.000 1.340 332 G CA -0.012 45.011 45.100 -0.127 0.000 0.896 332 G HN 0.744 nan 8.290 nan 0.000 0.570 333 H N -0.733 118.107 119.070 -0.384 0.000 2.768 333 H HA 0.719 5.276 4.556 0.001 0.000 0.371 333 H C 0.159 175.355 175.328 -0.221 0.000 1.151 333 H CA 0.248 56.171 56.048 -0.208 0.000 1.165 333 H CB 1.661 31.315 29.762 -0.179 0.000 1.722 333 H HN 1.211 nan 8.280 nan 0.000 0.543 334 A N 3.318 126.091 122.820 -0.077 0.000 2.386 334 A HA 0.679 5.000 4.320 0.001 0.000 0.311 334 A C -1.369 176.285 177.584 0.116 0.000 1.068 334 A CA -0.587 51.503 52.037 0.087 0.000 0.743 334 A CB 1.317 20.401 19.000 0.140 0.000 1.258 334 A HN 0.453 nan 8.150 nan 0.000 0.429 335 V N 1.247 121.258 119.914 0.160 0.000 2.769 335 V HA 0.645 4.765 4.120 0.001 0.000 0.312 335 V C -0.289 175.879 176.094 0.124 0.000 1.061 335 V CA -0.514 61.890 62.300 0.173 0.000 0.931 335 V CB 1.851 33.809 31.823 0.225 0.000 1.010 335 V HN 0.992 nan 8.190 nan 0.000 0.433 336 E N 2.548 122.812 120.200 0.107 0.000 2.263 336 E HA 0.485 4.836 4.350 0.001 0.000 0.268 336 E C -1.765 174.872 176.600 0.061 0.000 0.884 336 E CA -0.436 56.008 56.400 0.072 0.000 0.766 336 E CB 1.801 31.519 29.700 0.029 0.000 1.196 336 E HN 0.719 nan 8.360 nan 0.000 0.416 337 C N 4.302 123.646 119.300 0.074 0.000 2.303 337 C HA 0.487 4.947 4.460 0.001 0.000 0.326 337 C C 0.165 175.197 174.990 0.069 0.000 1.285 337 C CA -0.656 58.401 59.018 0.066 0.000 1.675 337 C CB 0.371 28.165 27.740 0.090 0.000 2.289 337 C HN 0.711 nan 8.230 nan 0.000 0.512 338 R N 2.968 123.492 120.500 0.040 0.000 2.234 338 R HA 0.407 4.748 4.340 0.001 0.000 0.324 338 R C -0.510 175.834 176.300 0.074 0.000 1.054 338 R CA -0.256 55.864 56.100 0.034 0.000 0.912 338 R CB 0.420 30.720 30.300 0.000 0.000 1.030 338 R HN 0.564 nan 8.270 nan 0.000 0.455 339 I N 4.009 124.639 120.570 0.100 0.000 2.297 339 I HA 0.175 4.345 4.170 0.001 0.000 0.291 339 I C -0.222 175.963 176.117 0.112 0.000 1.033 339 I CA -0.514 60.872 61.300 0.143 0.000 1.253 339 I CB 0.744 38.900 38.000 0.260 0.000 1.396 339 I HN 0.547 nan 8.210 nan 0.000 0.476 340 N N 4.152 122.917 118.700 0.107 0.000 2.362 340 N HA 0.559 5.299 4.740 0.001 0.000 0.298 340 N C -0.076 175.494 175.510 0.099 0.000 1.048 340 N CA -0.637 52.473 53.050 0.099 0.000 0.858 340 N CB 1.989 40.533 38.487 0.095 0.000 1.218 340 N HN 0.678 nan 8.380 nan 0.000 0.488 341 A N 2.332 125.207 122.820 0.091 0.000 2.906 341 A HA 0.130 4.451 4.320 0.001 0.000 0.289 341 A C 0.006 177.627 177.584 0.061 0.000 1.675 341 A CA 0.022 52.103 52.037 0.074 0.000 1.372 341 A CB -0.713 18.328 19.000 0.069 0.000 1.091 341 A HN 0.796 nan 8.150 nan 0.000 0.579 342 E N 1.062 121.297 120.200 0.058 0.000 2.429 342 E HA 0.366 4.716 4.350 0.001 0.000 0.276 342 E C -1.697 174.901 176.600 -0.003 0.000 0.953 342 E CA -0.976 55.454 56.400 0.050 0.000 0.787 342 E CB 1.073 30.841 29.700 0.113 0.000 1.307 342 E HN 0.167 nan 8.360 nan 0.000 0.458 343 D N 2.148 122.522 120.400 -0.044 0.000 2.317 343 D HA 0.157 4.798 4.640 0.001 0.000 0.252 343 D C -1.622 174.498 176.300 -0.300 0.000 1.174 343 D CA -2.434 51.494 54.000 -0.120 0.000 0.866 343 D CB 1.471 42.212 40.800 -0.098 0.000 1.127 343 D HN 0.179 nan 8.370 nan 0.000 0.467 344 P HA 0.061 nan 4.420 nan 0.000 0.249 344 P C 0.201 177.086 177.300 -0.691 0.000 1.241 344 P CA 0.508 63.265 63.100 -0.571 0.000 0.781 344 P CB 0.273 31.823 31.700 -0.250 0.000 1.088 345 N N -0.663 117.743 118.700 -0.491 0.000 2.420 345 N HA -0.026 4.715 4.740 0.001 0.000 0.185 345 N C 1.393 176.717 175.510 -0.309 0.000 1.033 345 N CA 1.221 54.075 53.050 -0.327 0.000 0.879 345 N CB 0.172 38.558 38.487 -0.170 0.000 1.071 345 N HN 0.093 nan 8.380 nan 0.000 0.437 346 T N -2.932 111.467 114.554 -0.258 0.000 2.990 346 T HA 0.207 4.557 4.350 0.001 0.000 0.250 346 T C 0.218 174.959 174.700 0.069 0.000 1.041 346 T CA -0.204 61.857 62.100 -0.065 0.000 1.010 346 T CB 0.029 68.881 68.868 -0.027 0.000 1.003 346 T HN 0.160 nan 8.240 nan 0.000 0.499 347 F N -0.040 119.912 119.950 0.003 0.000 2.926 347 F HA -0.126 4.402 4.527 0.001 0.000 0.288 347 F C -0.166 175.637 175.800 0.004 0.000 0.756 347 F CA -0.459 57.544 58.000 0.005 0.000 1.292 347 F CB -2.380 36.623 39.000 0.005 0.000 1.482 347 F HN 0.211 nan 8.300 nan 0.000 0.400 348 L N 1.150 122.433 121.223 0.100 0.000 2.360 348 L HA 0.594 4.934 4.340 0.001 0.000 0.271 348 L C -1.860 175.038 176.870 0.047 0.000 1.057 348 L CA -1.936 52.946 54.840 0.069 0.000 0.803 348 L CB 0.227 42.306 42.059 0.033 0.000 1.207 348 L HN -0.326 nan 8.230 nan 0.000 0.445 349 P HA -0.034 nan 4.420 nan 0.000 0.264 349 P C -0.435 176.869 177.300 0.006 0.000 1.183 349 P CA 0.048 63.165 63.100 0.028 0.000 0.763 349 P CB 0.708 32.418 31.700 0.017 0.000 0.807 350 S N 3.315 119.021 115.700 0.010 0.000 2.062 350 S HA 0.383 4.853 4.470 0.001 0.000 0.163 350 S C -2.397 172.201 174.600 -0.004 0.000 1.612 350 S CA -1.766 56.433 58.200 -0.003 0.000 1.251 350 S CB -0.434 62.763 63.200 -0.005 0.000 1.174 350 S HN 0.192 nan 8.310 nan 0.000 0.428 351 P HA 0.616 nan 4.420 nan 0.000 0.273 351 P C 0.497 177.770 177.300 -0.045 0.000 1.250 351 P CA 0.336 63.416 63.100 -0.032 0.000 0.793 351 P CB 0.568 32.227 31.700 -0.068 0.000 1.011 352 G N -0.972 107.790 108.800 -0.063 0.000 2.369 352 G HA2 0.201 4.161 3.960 0.001 0.000 0.293 352 G HA3 0.201 4.161 3.960 0.001 0.000 0.293 352 G C -1.635 173.206 174.900 -0.099 0.000 1.301 352 G CA -0.803 44.255 45.100 -0.071 0.000 0.913 352 G HN 0.705 nan 8.290 nan 0.000 0.540 353 K N -0.196 120.152 120.400 -0.088 0.000 2.205 353 K HA 0.649 4.969 4.320 0.001 0.000 0.279 353 K C -0.260 176.307 176.600 -0.055 0.000 1.027 353 K CA -0.660 55.566 56.287 -0.103 0.000 0.932 353 K CB 0.744 33.196 32.500 -0.079 0.000 1.032 353 K HN 0.357 nan 8.250 nan 0.000 0.466 354 I N 5.057 125.593 120.570 -0.057 0.000 2.322 354 I HA -0.002 4.168 4.170 0.001 0.000 0.292 354 I C 1.558 177.696 176.117 0.036 0.000 1.060 354 I CA -0.191 61.114 61.300 0.007 0.000 1.309 354 I CB 1.440 39.449 38.000 0.014 0.000 1.415 354 I HN 0.943 nan 8.210 nan 0.000 0.492 355 T N 3.654 118.238 114.554 0.050 0.000 2.812 355 T HA -0.046 4.305 4.350 0.001 0.000 0.264 355 T C 0.987 175.742 174.700 0.091 0.000 1.042 355 T CA 0.614 62.748 62.100 0.057 0.000 1.140 355 T CB 0.146 69.037 68.868 0.038 0.000 0.870 355 T HN 0.526 nan 8.240 nan 0.000 0.445 356 R N -0.551 120.019 120.500 0.117 0.000 2.604 356 R HA 0.586 4.927 4.340 0.001 0.000 0.281 356 R C -2.290 174.147 176.300 0.229 0.000 1.020 356 R CA -1.064 55.121 56.100 0.142 0.000 0.899 356 R CB 1.689 32.037 30.300 0.080 0.000 1.205 356 R HN 0.349 nan 8.270 nan 0.000 0.450 357 F N 3.410 123.407 119.950 0.078 0.000 2.562 357 F HA 0.419 4.947 4.527 0.001 0.000 0.319 357 F C -1.597 174.265 175.800 0.104 0.000 1.154 357 F CA -0.591 57.455 58.000 0.076 0.000 0.931 357 F CB 1.582 40.632 39.000 0.083 0.000 1.198 357 F HN 0.697 nan 8.300 nan 0.000 0.444 358 H N 4.440 122.917 119.070 -0.988 0.000 2.823 358 H HA 0.706 5.262 4.556 0.001 0.000 0.332 358 H C -1.039 173.648 175.328 -1.068 0.000 0.980 358 H CA -0.317 55.196 56.048 -0.891 0.000 1.286 358 H CB 1.599 31.115 29.762 -0.409 0.000 1.541 358 H HN 0.852 nan 8.280 nan 0.000 0.521 359 A N 5.725 127.690 122.820 -1.424 0.000 2.304 359 A HA 0.518 4.838 4.320 0.001 0.000 0.301 359 A C -2.388 174.766 177.584 -0.716 0.000 1.132 359 A CA -1.516 49.854 52.037 -1.112 0.000 0.819 359 A CB 0.141 18.618 19.000 -0.871 0.000 1.094 359 A HN 0.559 nan 8.150 nan 0.000 0.492 360 P HA 0.464 nan 4.420 nan 0.000 0.277 360 P C 0.131 177.339 177.300 -0.153 0.000 1.240 360 P CA 0.100 63.048 63.100 -0.253 0.000 0.798 360 P CB 1.421 33.009 31.700 -0.187 0.000 0.979 361 G N -0.928 107.835 108.800 -0.061 0.000 3.015 361 G HA2 0.771 4.731 3.960 0.001 0.000 0.281 361 G HA3 0.771 4.731 3.960 0.001 0.000 0.281 361 G C -0.550 174.378 174.900 0.047 0.000 1.386 361 G CA -0.644 44.456 45.100 -0.001 0.000 0.959 361 G HN 0.809 nan 8.290 nan 0.000 0.522 362 G N -1.913 106.936 108.800 0.082 0.000 2.371 362 G HA2 0.388 4.348 3.960 0.001 0.000 0.663 362 G HA3 0.388 4.348 3.960 0.001 0.000 0.663 362 G C -1.235 173.793 174.900 0.213 0.000 1.311 362 G CA -0.576 44.602 45.100 0.131 0.000 0.985 362 G HN 1.277 nan 8.290 nan 0.000 0.566 363 F N 2.152 122.131 119.950 0.049 0.000 2.444 363 F HA 0.531 5.058 4.527 0.000 0.000 0.360 363 F C 1.383 177.238 175.800 0.093 0.000 1.106 363 F CA 0.302 58.340 58.000 0.064 0.000 1.170 363 F CB 0.678 39.713 39.000 0.058 0.000 1.113 363 F HN 2.104 nan 8.300 nan 0.000 0.521 364 G N 3.778 112.519 108.800 -0.099 0.000 2.141 364 G HA2 -0.159 3.801 3.960 0.001 0.000 0.242 364 G HA3 -0.159 3.801 3.960 0.001 0.000 0.242 364 G C -0.762 174.162 174.900 0.040 0.000 0.982 364 G CA 0.042 45.077 45.100 -0.110 0.000 0.662 364 G HN 0.752 nan 8.290 nan 0.000 0.527 365 V N 1.028 120.987 119.914 0.076 0.000 2.378 365 V HA 0.664 4.784 4.120 0.001 0.000 0.288 365 V C 0.465 176.631 176.094 0.121 0.000 1.016 365 V CA -0.698 61.662 62.300 0.101 0.000 0.840 365 V CB 1.558 33.438 31.823 0.095 0.000 0.994 365 V HN 0.456 nan 8.190 nan 0.000 0.431 366 R N 4.917 125.500 120.500 0.138 0.000 2.494 366 R HA 0.397 4.738 4.340 0.001 0.000 0.305 366 R C -1.441 175.011 176.300 0.253 0.000 0.959 366 R CA -0.602 55.589 56.100 0.152 0.000 0.864 366 R CB 1.486 31.836 30.300 0.083 0.000 1.159 366 R HN 0.813 nan 8.270 nan 0.000 0.446 367 W N 6.257 127.578 121.300 0.035 0.000 2.411 367 W HA 0.329 4.989 4.660 0.001 0.000 0.317 367 W C -1.312 175.235 176.519 0.047 0.000 1.030 367 W CA -0.619 56.756 57.345 0.050 0.000 1.239 367 W CB 1.766 31.266 29.460 0.067 0.000 1.304 367 W HN 0.535 nan 8.180 nan 0.000 0.437 368 E N 4.848 124.739 120.200 -0.514 0.000 2.183 368 E HA 0.266 4.616 4.350 0.001 0.000 0.250 368 E C -1.014 175.129 176.600 -0.762 0.000 0.901 368 E CA -0.132 55.976 56.400 -0.486 0.000 0.741 368 E CB 1.875 31.423 29.700 -0.253 0.000 1.182 368 E HN 0.301 nan 8.360 nan 0.000 0.425 369 S N 1.088 116.318 115.700 -0.785 0.000 2.565 369 S HA 0.327 4.797 4.470 0.001 0.000 0.269 369 S C -0.426 174.016 174.600 -0.263 0.000 1.153 369 S CA -0.604 57.218 58.200 -0.629 0.000 0.835 369 S CB 0.591 63.173 63.200 -1.031 0.000 1.122 369 S HN 0.689 nan 8.310 nan 0.000 0.462 370 H N 1.422 120.334 119.070 -0.264 0.000 2.893 370 H HA 0.500 5.056 4.556 0.001 0.000 0.270 370 H C 0.592 175.776 175.328 -0.240 0.000 1.095 370 H CA -0.343 55.592 56.048 -0.189 0.000 1.186 370 H CB -0.426 29.218 29.762 -0.197 0.000 1.562 370 H HN 0.532 nan 8.280 nan 0.000 0.536 371 I N -0.287 119.768 120.570 -0.858 0.000 2.764 371 I HA 0.408 4.578 4.170 0.001 0.000 0.294 371 I C -0.696 175.098 176.117 -0.538 0.000 1.045 371 I CA -1.236 59.542 61.300 -0.869 0.000 1.340 371 I CB 0.581 38.120 38.000 -0.769 0.000 1.436 371 I HN 0.166 nan 8.210 nan 0.000 0.567 372 Y N 2.231 122.288 120.300 -0.406 0.000 2.689 372 Y HA 0.738 5.289 4.550 0.001 0.000 0.333 372 Y C -0.480 175.454 175.900 0.058 0.000 1.208 372 Y CA -1.794 56.203 58.100 -0.172 0.000 1.055 372 Y CB 0.476 38.931 38.460 -0.007 0.000 1.304 372 Y HN 0.820 nan 8.280 nan 0.000 0.455 373 A N 1.235 124.276 122.820 0.368 0.000 2.537 373 A HA 0.426 4.746 4.320 0.001 0.000 0.260 373 A C 1.377 179.074 177.584 0.189 0.000 1.082 373 A CA 1.148 53.340 52.037 0.258 0.000 0.765 373 A CB -1.619 17.545 19.000 0.274 0.000 1.019 373 A HN 2.307 nan 8.150 nan 0.000 0.507 374 G N 0.979 109.806 108.800 0.046 0.000 2.176 374 G HA2 -0.243 3.718 3.960 0.001 0.000 0.232 374 G HA3 -0.243 3.718 3.960 0.001 0.000 0.232 374 G C 0.077 174.919 174.900 -0.097 0.000 0.986 374 G CA 0.307 45.420 45.100 0.021 0.000 0.643 374 G HN 1.573 nan 8.290 nan 0.000 0.522 375 Y N 2.033 122.036 120.300 -0.496 0.000 2.326 375 Y HA 0.576 5.127 4.550 0.001 0.000 0.333 375 Y C 0.319 176.055 175.900 -0.272 0.000 1.240 375 Y CA 0.621 58.340 58.100 -0.634 0.000 1.365 375 Y CB 1.205 38.986 38.460 -1.131 0.000 1.289 375 Y HN 0.074 nan 8.280 nan 0.000 0.548 376 T N 5.693 119.463 114.554 -1.306 0.000 2.809 376 T HA 0.349 4.699 4.350 0.001 0.000 0.284 376 T C -1.080 173.034 174.700 -0.978 0.000 0.992 376 T CA -0.688 60.921 62.100 -0.818 0.000 0.957 376 T CB 0.780 69.411 68.868 -0.394 0.000 0.942 376 T HN 0.483 nan 8.240 nan 0.000 0.439 377 V N 7.254 126.893 119.914 -0.458 0.000 2.397 377 V HA 0.226 4.346 4.120 0.001 0.000 0.262 377 V C -1.759 174.297 176.094 -0.062 0.000 1.047 377 V CA -1.448 60.786 62.300 -0.109 0.000 1.003 377 V CB -0.277 31.561 31.823 0.025 0.000 1.037 377 V HN 0.671 nan 8.190 nan 0.000 0.480 378 P HA 0.329 nan 4.420 nan 0.000 0.281 378 P C -2.265 175.004 177.300 -0.052 0.000 1.249 378 P CA -2.032 61.087 63.100 0.031 0.000 0.810 378 P CB 1.016 32.904 31.700 0.313 0.000 1.008 379 P HA -0.025 nan 4.420 nan 0.000 0.231 379 P C 1.041 178.049 177.300 -0.487 0.000 1.168 379 P CA 1.104 63.946 63.100 -0.429 0.000 0.779 379 P CB -0.223 31.107 31.700 -0.617 0.000 0.844 380 Y N -1.320 118.782 120.300 -0.331 0.000 2.293 380 Y HA -0.100 4.450 4.550 0.001 0.000 0.291 380 Y C 1.331 176.811 175.900 -0.699 0.000 1.137 380 Y CA 0.665 58.346 58.100 -0.698 0.000 1.202 380 Y CB -0.827 36.940 38.460 -1.154 0.000 0.990 380 Y HN -0.025 nan 8.280 nan 0.000 0.537 381 Y N -0.533 119.913 120.300 0.244 0.000 2.914 381 Y HA 0.225 4.776 4.550 0.001 0.000 0.324 381 Y C 0.469 176.444 175.900 0.124 0.000 1.280 381 Y CA -1.898 56.334 58.100 0.220 0.000 1.133 381 Y CB -0.222 38.411 38.460 0.289 0.000 1.395 381 Y HN -0.158 nan 8.280 nan 0.000 0.645 382 D N -0.326 120.244 120.400 0.283 0.000 2.354 382 D HA -0.041 4.600 4.640 0.001 0.000 0.238 382 D C 0.895 177.285 176.300 0.149 0.000 1.250 382 D CA 0.462 54.552 54.000 0.150 0.000 0.911 382 D CB 0.740 41.593 40.800 0.088 0.000 1.163 382 D HN 0.559 nan 8.370 nan 0.000 0.456 383 S N -0.325 115.436 115.700 0.101 0.000 2.524 383 S HA -0.014 4.457 4.470 0.001 0.000 0.216 383 S C 1.069 175.731 174.600 0.103 0.000 0.987 383 S CA -0.523 57.735 58.200 0.097 0.000 0.909 383 S CB -0.247 63.000 63.200 0.078 0.000 0.781 383 S HN 0.560 nan 8.310 nan 0.000 0.521 384 M N 2.606 122.263 119.600 0.095 0.000 2.228 384 M HA 0.318 4.799 4.480 0.001 0.000 0.351 384 M C 0.469 176.843 176.300 0.123 0.000 1.233 384 M CA 0.086 55.439 55.300 0.088 0.000 1.129 384 M CB 0.637 33.272 32.600 0.058 0.000 1.604 384 M HN 0.491 nan 8.290 nan 0.000 0.457 385 I N 0.809 121.439 120.570 0.099 0.000 4.338 385 I HA 0.611 4.781 4.170 0.001 0.000 0.329 385 I C 0.291 176.375 176.117 -0.055 0.000 1.378 385 I CA -0.345 61.002 61.300 0.078 0.000 1.170 385 I CB 0.488 38.518 38.000 0.050 0.000 1.206 385 I HN 0.685 nan 8.210 nan 0.000 0.432 386 G N 1.160 109.914 108.800 -0.076 0.000 2.368 386 G HA2 0.500 4.461 3.960 0.001 0.000 0.293 386 G HA3 0.500 4.461 3.960 0.001 0.000 0.293 386 G C -2.058 172.695 174.900 -0.244 0.000 1.467 386 G CA -0.841 44.046 45.100 -0.355 0.000 0.804 386 G HN 0.056 nan 8.290 nan 0.000 0.535 387 K N -0.534 119.617 120.400 -0.415 0.000 2.427 387 K HA 0.670 4.990 4.320 0.001 0.000 0.252 387 K C -1.432 175.141 176.600 -0.045 0.000 0.931 387 K CA -0.740 55.458 56.287 -0.149 0.000 0.793 387 K CB 2.822 35.244 32.500 -0.130 0.000 1.211 387 K HN 0.367 nan 8.250 nan 0.000 0.426 388 L N 4.244 125.569 121.223 0.171 0.000 2.325 388 L HA 0.594 4.934 4.340 0.001 0.000 0.281 388 L C -1.688 175.286 176.870 0.173 0.000 1.004 388 L CA -0.432 54.595 54.840 0.311 0.000 0.823 388 L CB 1.050 43.343 42.059 0.389 0.000 1.236 388 L HN 0.569 nan 8.230 nan 0.000 0.415 389 I N 4.540 125.207 120.570 0.161 0.000 2.533 389 I HA 0.474 4.644 4.170 0.001 0.000 0.290 389 I C -0.909 175.284 176.117 0.126 0.000 1.056 389 I CA -0.124 61.245 61.300 0.115 0.000 1.057 389 I CB 1.923 39.965 38.000 0.069 0.000 1.240 389 I HN 0.498 nan 8.210 nan 0.000 0.423 390 C N 4.811 124.185 119.300 0.125 0.000 2.455 390 C HA 0.582 5.043 4.460 0.001 0.000 0.320 390 C C -0.692 174.383 174.990 0.143 0.000 1.226 390 C CA -0.868 58.221 59.018 0.118 0.000 1.569 390 C CB 1.124 28.919 27.740 0.092 0.000 2.200 390 C HN 0.690 nan 8.230 nan 0.000 0.491 391 Y N 1.200 121.486 120.300 -0.023 0.000 2.446 391 Y HA 0.737 5.287 4.550 0.001 0.000 0.345 391 Y C 0.126 175.971 175.900 -0.092 0.000 0.984 391 Y CA 0.040 58.114 58.100 -0.043 0.000 1.058 391 Y CB 1.515 39.932 38.460 -0.073 0.000 1.220 391 Y HN 0.841 nan 8.280 nan 0.000 0.455 392 G N 3.364 111.754 108.800 -0.683 0.000 2.680 392 G HA2 0.256 4.217 3.960 0.001 0.000 0.290 392 G HA3 0.256 4.217 3.960 0.001 0.000 0.290 392 G C -0.394 174.070 174.900 -0.727 0.000 1.355 392 G CA -0.706 44.076 45.100 -0.530 0.000 0.903 392 G HN 0.661 nan 8.290 nan 0.000 0.474 393 E N -0.669 119.327 120.200 -0.339 0.000 2.347 393 E HA -0.046 4.304 4.350 0.001 0.000 0.196 393 E C 0.426 176.921 176.600 -0.176 0.000 1.008 393 E CA 0.815 57.092 56.400 -0.205 0.000 0.852 393 E CB -0.094 29.573 29.700 -0.055 0.000 0.783 393 E HN 0.479 nan 8.360 nan 0.000 0.505 394 N N -0.566 118.019 118.700 -0.192 0.000 3.039 394 N HA 0.119 4.859 4.740 0.001 0.000 0.257 394 N C 0.220 175.607 175.510 -0.205 0.000 1.497 394 N CA -0.811 52.148 53.050 -0.151 0.000 0.861 394 N CB 1.111 39.528 38.487 -0.116 0.000 1.479 394 N HN -0.173 nan 8.380 nan 0.000 0.547 395 R N -0.495 119.817 120.500 -0.314 0.000 2.083 395 R HA -0.098 4.242 4.340 0.001 0.000 0.237 395 R C 0.378 176.478 176.300 -0.333 0.000 1.137 395 R CA 2.011 57.770 56.100 -0.569 0.000 0.951 395 R CB -0.400 29.431 30.300 -0.782 0.000 0.851 395 R HN 0.620 nan 8.270 nan 0.000 0.434 396 D N -0.266 119.993 120.400 -0.234 0.000 2.116 396 D HA -0.166 4.475 4.640 0.001 0.000 0.193 396 D C 1.922 178.155 176.300 -0.112 0.000 0.998 396 D CA 1.450 55.357 54.000 -0.155 0.000 0.836 396 D CB -0.257 40.476 40.800 -0.111 0.000 0.951 396 D HN 0.116 nan 8.370 nan 0.000 0.449 397 V N 1.532 121.379 119.914 -0.112 0.000 2.295 397 V HA -0.242 3.878 4.120 0.001 0.000 0.246 397 V C 2.577 178.626 176.094 -0.076 0.000 1.049 397 V CA 1.777 64.026 62.300 -0.084 0.000 1.024 397 V CB -0.826 30.938 31.823 -0.098 0.000 0.648 397 V HN 0.184 nan 8.190 nan 0.000 0.447 398 A N 0.350 123.108 122.820 -0.103 0.000 1.873 398 A HA -0.230 4.091 4.320 0.001 0.000 0.218 398 A C 2.156 179.743 177.584 0.005 0.000 1.193 398 A CA 2.268 54.279 52.037 -0.043 0.000 0.629 398 A CB -0.614 18.384 19.000 -0.003 0.000 0.826 398 A HN 0.486 nan 8.150 nan 0.000 0.447 399 I N -0.307 120.251 120.570 -0.019 0.000 2.163 399 I HA -0.324 3.847 4.170 0.001 0.000 0.243 399 I C 3.013 179.155 176.117 0.041 0.000 1.085 399 I CA 1.418 62.739 61.300 0.033 0.000 1.347 399 I CB -1.142 36.849 38.000 -0.016 0.000 1.044 399 I HN 0.404 nan 8.210 nan 0.000 0.408 400 A N 1.404 124.229 122.820 0.008 0.000 1.873 400 A HA -0.240 4.080 4.320 0.001 0.000 0.218 400 A C 2.480 180.082 177.584 0.029 0.000 1.193 400 A CA 1.799 53.845 52.037 0.016 0.000 0.629 400 A CB -0.715 18.286 19.000 0.001 0.000 0.826 400 A HN 0.349 nan 8.150 nan 0.000 0.447 401 R N -1.818 118.697 120.500 0.025 0.000 2.080 401 R HA -0.197 4.143 4.340 0.001 0.000 0.236 401 R C 2.271 178.601 176.300 0.050 0.000 1.137 401 R CA 1.792 57.914 56.100 0.036 0.000 0.943 401 R CB -0.579 29.737 30.300 0.026 0.000 0.846 401 R HN 0.574 nan 8.270 nan 0.000 0.431 402 M N 1.702 121.339 119.600 0.063 0.000 2.082 402 M HA -0.206 4.274 4.480 0.001 0.000 0.258 402 M C 1.723 178.064 176.300 0.069 0.000 1.069 402 M CA 1.852 57.200 55.300 0.080 0.000 1.102 402 M CB -0.154 32.511 32.600 0.108 0.000 1.336 402 M HN -0.082 nan 8.290 nan 0.000 0.404 403 K N -0.078 120.361 120.400 0.066 0.000 2.044 403 K HA -0.169 4.152 4.320 0.001 0.000 0.210 403 K C 1.759 178.382 176.600 0.038 0.000 1.049 403 K CA 2.295 58.615 56.287 0.055 0.000 0.927 403 K CB -0.520 32.012 32.500 0.054 0.000 0.713 403 K HN 0.607 nan 8.250 nan 0.000 0.443 404 N N 0.267 118.987 118.700 0.034 0.000 2.043 404 N HA -0.195 4.546 4.740 0.001 0.000 0.193 404 N C 1.930 177.449 175.510 0.014 0.000 1.037 404 N CA 0.962 54.026 53.050 0.024 0.000 0.851 404 N CB -0.235 38.268 38.487 0.027 0.000 1.027 404 N HN 0.198 nan 8.380 nan 0.000 0.422 405 A N 1.499 124.331 122.820 0.020 0.000 1.917 405 A HA -0.142 4.179 4.320 0.001 0.000 0.219 405 A C 2.170 179.744 177.584 -0.018 0.000 1.182 405 A CA 1.244 53.283 52.037 0.003 0.000 0.633 405 A CB -0.868 18.151 19.000 0.031 0.000 0.819 405 A HN 0.211 nan 8.150 nan 0.000 0.448 406 L N -1.130 120.099 121.223 0.010 0.000 2.191 406 L HA -0.232 4.108 4.340 0.001 0.000 0.212 406 L C 2.818 179.683 176.870 -0.008 0.000 1.103 406 L CA 1.385 56.231 54.840 0.010 0.000 0.769 406 L CB -0.410 41.671 42.059 0.036 0.000 0.908 406 L HN 0.507 nan 8.230 nan 0.000 0.438 407 Q N -0.510 119.287 119.800 -0.006 0.000 2.187 407 Q HA -0.148 4.192 4.340 0.001 0.000 0.199 407 Q C 1.898 177.882 176.000 -0.028 0.000 0.957 407 Q CA 0.979 56.776 55.803 -0.011 0.000 0.857 407 Q CB 0.148 28.885 28.738 -0.002 0.000 0.929 407 Q HN 0.515 nan 8.270 nan 0.000 0.453 408 E N 0.307 120.485 120.200 -0.037 0.000 2.358 408 E HA -0.057 4.294 4.350 0.001 0.000 0.195 408 E C 0.032 176.589 176.600 -0.073 0.000 1.010 408 E CA -0.116 56.260 56.400 -0.040 0.000 0.856 408 E CB 0.200 29.879 29.700 -0.035 0.000 0.795 408 E HN 0.107 nan 8.360 nan 0.000 0.504 409 L N 1.851 122.999 121.223 -0.125 0.000 2.410 409 L HA 0.170 4.510 4.340 0.001 0.000 0.273 409 L C -0.601 176.193 176.870 -0.127 0.000 1.144 409 L CA 0.520 55.233 54.840 -0.210 0.000 0.863 409 L CB 0.358 42.287 42.059 -0.216 0.000 1.140 409 L HN -0.113 nan 8.230 nan 0.000 0.463 410 I N 6.724 127.195 120.570 -0.165 0.000 2.436 410 I HA 0.416 4.586 4.170 0.001 0.000 0.289 410 I C -0.732 175.411 176.117 0.043 0.000 1.010 410 I CA -0.336 60.928 61.300 -0.058 0.000 1.098 410 I CB 1.561 39.532 38.000 -0.049 0.000 1.266 410 I HN 0.490 nan 8.210 nan 0.000 0.434 411 I N 4.968 125.609 120.570 0.117 0.000 2.576 411 I HA 0.280 4.450 4.170 0.001 0.000 0.279 411 I C -1.474 174.714 176.117 0.120 0.000 1.114 411 I CA -0.474 60.950 61.300 0.206 0.000 1.076 411 I CB 1.335 39.476 38.000 0.235 0.000 1.212 411 I HN 0.384 nan 8.210 nan 0.000 0.472 412 D N 3.436 123.902 120.400 0.110 0.000 2.181 412 D HA 0.672 5.313 4.640 0.001 0.000 0.248 412 D C 0.981 177.313 176.300 0.054 0.000 1.020 412 D CA 0.455 54.494 54.000 0.066 0.000 0.891 412 D CB 2.156 42.989 40.800 0.055 0.000 1.187 412 D HN 0.766 nan 8.370 nan 0.000 0.443 413 G N 0.404 109.224 108.800 0.032 0.000 2.213 413 G HA2 -0.187 3.773 3.960 0.001 0.000 0.226 413 G HA3 -0.187 3.773 3.960 0.001 0.000 0.226 413 G C 0.245 175.150 174.900 0.008 0.000 0.992 413 G CA 0.404 45.515 45.100 0.017 0.000 0.632 413 G HN 0.611 nan 8.290 nan 0.000 0.511 414 I N -3.073 117.507 120.570 0.018 0.000 3.279 414 I HA 0.890 5.060 4.170 0.001 0.000 0.315 414 I C -0.427 175.701 176.117 0.019 0.000 1.187 414 I CA -1.763 59.545 61.300 0.013 0.000 0.953 414 I CB 1.463 39.472 38.000 0.014 0.000 1.279 414 I HN -0.072 nan 8.210 nan 0.000 0.465 415 K N 0.710 121.117 120.400 0.012 0.000 2.098 415 K HA 0.751 5.071 4.320 0.001 0.000 0.258 415 K C -0.509 176.107 176.600 0.026 0.000 0.973 415 K CA -0.447 55.844 56.287 0.008 0.000 0.898 415 K CB 1.770 34.262 32.500 -0.013 0.000 1.057 415 K HN 0.899 nan 8.250 nan 0.000 0.447 416 T N -2.219 112.351 114.554 0.027 0.000 2.838 416 T HA 0.246 4.597 4.350 0.001 0.000 0.292 416 T C 0.165 174.889 174.700 0.040 0.000 1.113 416 T CA -0.979 61.152 62.100 0.052 0.000 1.008 416 T CB 0.967 69.883 68.868 0.080 0.000 1.259 416 T HN 0.604 nan 8.240 nan 0.000 0.520 417 N N 0.199 118.942 118.700 0.073 0.000 2.270 417 N HA 0.052 4.792 4.740 0.001 0.000 0.198 417 N C 1.400 176.956 175.510 0.077 0.000 1.117 417 N CA -0.144 52.957 53.050 0.085 0.000 0.845 417 N CB -0.582 37.992 38.487 0.146 0.000 0.980 417 N HN 0.371 nan 8.380 nan 0.000 0.486 418 V N 1.468 121.423 119.914 0.070 0.000 2.250 418 V HA -0.295 3.825 4.120 0.001 0.000 0.250 418 V C 1.862 177.984 176.094 0.046 0.000 1.060 418 V CA 2.297 64.635 62.300 0.064 0.000 1.030 418 V CB -0.493 31.364 31.823 0.058 0.000 0.643 418 V HN 0.286 nan 8.190 nan 0.000 0.445 419 D N -0.332 120.086 120.400 0.031 0.000 2.158 419 D HA -0.182 4.458 4.640 0.001 0.000 0.197 419 D C 1.969 178.287 176.300 0.030 0.000 0.995 419 D CA 1.590 55.603 54.000 0.022 0.000 0.846 419 D CB -0.256 40.547 40.800 0.005 0.000 0.941 419 D HN 0.433 nan 8.370 nan 0.000 0.456 420 L N 0.836 122.083 121.223 0.041 0.000 2.141 420 L HA -0.126 4.215 4.340 0.001 0.000 0.209 420 L C 1.988 178.886 176.870 0.047 0.000 1.094 420 L CA 1.515 56.392 54.840 0.063 0.000 0.763 420 L CB -0.379 41.756 42.059 0.126 0.000 0.908 420 L HN -0.125 nan 8.230 nan 0.000 0.437 421 Q N -0.072 119.754 119.800 0.043 0.000 2.119 421 Q HA -0.121 4.219 4.340 0.001 0.000 0.201 421 Q C 2.370 178.379 176.000 0.016 0.000 0.972 421 Q CA 1.968 57.784 55.803 0.021 0.000 0.847 421 Q CB -0.180 28.584 28.738 0.043 0.000 0.903 421 Q HN 0.634 nan 8.270 nan 0.000 0.433 422 I N 0.279 120.869 120.570 0.033 0.000 2.252 422 I HA -0.255 3.915 4.170 0.001 0.000 0.245 422 I C 2.287 178.428 176.117 0.040 0.000 1.102 422 I CA 0.901 62.224 61.300 0.038 0.000 1.385 422 I CB -0.172 37.849 38.000 0.035 0.000 1.064 422 I HN 0.073 nan 8.210 nan 0.000 0.414 423 R N 0.785 121.307 120.500 0.037 0.000 2.127 423 R HA -0.110 4.231 4.340 0.001 0.000 0.238 423 R C 2.074 178.403 176.300 0.049 0.000 1.134 423 R CA 1.413 57.541 56.100 0.046 0.000 0.975 423 R CB -0.392 29.936 30.300 0.047 0.000 0.865 423 R HN 0.393 nan 8.270 nan 0.000 0.447 424 I N -0.739 119.835 120.570 0.006 0.000 2.480 424 I HA -0.168 4.002 4.170 0.001 0.000 0.251 424 I C 1.591 177.689 176.117 -0.031 0.000 1.124 424 I CA 0.606 61.864 61.300 -0.070 0.000 1.444 424 I CB -0.161 37.694 38.000 -0.242 0.000 1.098 424 I HN 0.091 nan 8.210 nan 0.000 0.428 425 M N 0.379 120.000 119.600 0.035 0.000 2.358 425 M HA -0.167 4.313 4.480 0.001 0.000 0.264 425 M C 1.617 178.061 176.300 0.240 0.000 1.064 425 M CA 1.618 57.046 55.300 0.214 0.000 1.093 425 M CB -1.601 31.083 32.600 0.140 0.000 1.401 425 M HN 0.340 nan 8.290 nan 0.000 0.440 426 N N -0.223 118.572 118.700 0.157 0.000 2.368 426 N HA -0.068 4.672 4.740 0.001 0.000 0.176 426 N C 0.515 176.122 175.510 0.161 0.000 1.021 426 N CA -0.133 52.997 53.050 0.133 0.000 0.888 426 N CB 0.244 38.785 38.487 0.090 0.000 0.995 426 N HN 0.291 nan 8.380 nan 0.000 0.437 427 D N 2.026 122.546 120.400 0.199 0.000 2.570 427 D HA -0.122 4.518 4.640 0.001 0.000 0.243 427 D C 0.978 177.406 176.300 0.214 0.000 1.171 427 D CA 0.346 54.482 54.000 0.226 0.000 0.879 427 D CB 0.616 41.583 40.800 0.278 0.000 1.143 427 D HN 0.440 nan 8.370 nan 0.000 0.511 428 E N 3.491 123.782 120.200 0.152 0.000 2.204 428 E HA -0.243 4.108 4.350 0.001 0.000 0.195 428 E C 0.796 177.457 176.600 0.101 0.000 0.990 428 E CA 0.740 57.203 56.400 0.105 0.000 0.821 428 E CB 0.034 29.779 29.700 0.073 0.000 0.750 428 E HN 0.393 nan 8.360 nan 0.000 0.477 429 N N 0.403 119.172 118.700 0.115 0.000 2.135 429 N HA -0.107 4.634 4.740 0.001 0.000 0.186 429 N C 1.643 177.168 175.510 0.024 0.000 1.027 429 N CA 1.110 54.184 53.050 0.042 0.000 0.849 429 N CB -0.444 37.994 38.487 -0.082 0.000 1.002 429 N HN 0.254 nan 8.380 nan 0.000 0.425 430 F N 2.226 122.105 119.950 -0.118 0.000 2.069 430 F HA -0.254 4.273 4.527 0.001 0.000 0.298 430 F C 2.646 178.416 175.800 -0.050 0.000 1.113 430 F CA 1.450 59.389 58.000 -0.102 0.000 1.214 430 F CB -0.078 38.898 39.000 -0.040 0.000 0.978 430 F HN 0.005 nan 8.300 nan 0.000 0.474 431 Q N -0.807 118.933 119.800 -0.100 0.000 2.152 431 Q HA -0.327 4.014 4.340 0.001 0.000 0.206 431 Q C 2.017 177.905 176.000 -0.187 0.000 0.985 431 Q CA 2.136 57.819 55.803 -0.201 0.000 0.863 431 Q CB -0.331 28.393 28.738 -0.023 0.000 0.904 431 Q HN 0.638 nan 8.270 nan 0.000 0.422 432 H N -1.079 117.887 119.070 -0.172 0.000 2.299 432 H HA 0.094 4.650 4.556 0.000 0.000 0.302 432 H C 0.401 175.617 175.328 -0.187 0.000 1.078 432 H CA 1.672 57.633 56.048 -0.144 0.000 1.323 432 H CB -0.119 29.591 29.762 -0.085 0.000 1.381 432 H HN 0.275 nan 8.280 nan 0.000 0.498 433 G N -2.505 106.097 108.800 -0.330 0.000 2.697 433 G HA2 0.356 4.317 3.960 0.001 0.000 0.686 433 G HA3 0.356 4.317 3.960 0.001 0.000 0.686 433 G C 0.536 175.272 174.900 -0.272 0.000 1.179 433 G CA 0.135 45.022 45.100 -0.355 0.000 0.765 433 G HN 1.340 nan 8.290 nan 0.000 0.649 434 G N -0.561 108.164 108.800 -0.124 0.000 2.141 434 G HA2 0.228 4.188 3.960 0.001 0.000 0.195 434 G HA3 0.228 4.188 3.960 0.001 0.000 0.195 434 G C 0.482 175.382 174.900 0.001 0.000 1.012 434 G CA 0.805 45.879 45.100 -0.045 0.000 0.696 434 G HN 2.303 nan 8.290 nan 0.000 0.508 435 T N 0.699 115.249 114.554 -0.008 0.000 2.898 435 T HA 0.506 4.857 4.350 0.001 0.000 0.301 435 T C 0.697 175.437 174.700 0.066 0.000 1.049 435 T CA 0.097 62.184 62.100 -0.023 0.000 1.095 435 T CB 1.682 70.465 68.868 -0.141 0.000 0.976 435 T HN 0.771 nan 8.240 nan 0.000 0.539 436 N N 1.684 120.446 118.700 0.103 0.000 2.491 436 N HA 0.188 4.928 4.740 0.001 0.000 0.279 436 N C 1.232 176.797 175.510 0.091 0.000 1.236 436 N CA -1.514 51.599 53.050 0.105 0.000 0.982 436 N CB 0.435 38.992 38.487 0.117 0.000 1.194 436 N HN 0.779 nan 8.380 nan 0.000 0.582 437 I N -3.074 117.479 120.570 -0.028 0.000 3.001 437 I HA -0.049 4.122 4.170 0.001 0.000 0.268 437 I C 0.599 176.651 176.117 -0.108 0.000 1.267 437 I CA 0.934 62.176 61.300 -0.096 0.000 1.472 437 I CB -0.455 37.442 38.000 -0.172 0.000 1.089 437 I HN 0.339 nan 8.210 nan 0.000 0.468 438 H N -0.329 118.824 119.070 0.139 0.000 2.544 438 H HA -0.016 4.540 4.556 0.001 0.000 0.269 438 H C 1.754 177.151 175.328 0.114 0.000 0.970 438 H CA 0.839 56.955 56.048 0.114 0.000 1.219 438 H CB -0.354 29.469 29.762 0.100 0.000 1.421 438 H HN 0.442 nan 8.280 nan 0.000 0.555 439 Y N 1.611 121.989 120.300 0.131 0.000 2.081 439 Y HA -0.279 4.271 4.550 0.001 0.000 0.280 439 Y C 2.486 178.427 175.900 0.068 0.000 1.163 439 Y CA 1.354 59.513 58.100 0.097 0.000 1.135 439 Y CB -0.442 38.074 38.460 0.093 0.000 0.970 439 Y HN 0.082 nan 8.280 nan 0.000 0.498 440 L N 0.740 122.058 121.223 0.157 0.000 2.012 440 L HA -0.232 4.108 4.340 0.001 0.000 0.210 440 L C 2.183 179.013 176.870 -0.066 0.000 1.073 440 L CA 2.196 57.055 54.840 0.031 0.000 0.748 440 L CB -0.894 41.192 42.059 0.046 0.000 0.891 440 L HN 0.326 nan 8.230 nan 0.000 0.431 441 E N -0.841 119.345 120.200 -0.024 0.000 2.077 441 E HA -0.263 4.087 4.350 0.001 0.000 0.193 441 E C 2.154 178.720 176.600 -0.057 0.000 0.989 441 E CA 1.522 57.906 56.400 -0.026 0.000 0.800 441 E CB -0.037 29.676 29.700 0.021 0.000 0.746 441 E HN 0.418 nan 8.360 nan 0.000 0.452 442 K N 0.879 121.227 120.400 -0.086 0.000 1.978 442 K HA -0.220 4.100 4.320 0.001 0.000 0.214 442 K C 2.119 178.615 176.600 -0.175 0.000 1.049 442 K CA 1.660 57.874 56.287 -0.122 0.000 0.939 442 K CB -0.135 32.276 32.500 -0.148 0.000 0.721 442 K HN -0.073 nan 8.250 nan 0.000 0.441 443 K N 0.632 120.825 120.400 -0.344 0.000 2.059 443 K HA -0.196 4.125 4.320 0.001 0.000 0.212 443 K C 1.573 178.099 176.600 -0.122 0.000 1.050 443 K CA 1.425 57.530 56.287 -0.304 0.000 0.927 443 K CB -0.142 32.093 32.500 -0.442 0.000 0.714 443 K HN -0.024 nan 8.250 nan 0.000 0.447 444 L N 1.231 122.403 121.223 -0.086 0.000 2.740 444 L HA -0.009 4.331 4.340 0.001 0.000 0.242 444 L C 1.206 178.082 176.870 0.010 0.000 1.175 444 L CA 1.801 56.641 54.840 0.000 0.000 0.859 444 L CB -1.217 40.854 42.059 0.019 0.000 0.992 444 L HN 0.614 nan 8.230 nan 0.000 0.454 445 G N -0.333 108.454 108.800 -0.021 0.000 2.258 445 G HA2 -0.330 3.631 3.960 0.001 0.000 0.274 445 G HA3 -0.330 3.631 3.960 0.001 0.000 0.274 445 G C 0.473 175.376 174.900 0.004 0.000 1.021 445 G CA 0.283 45.379 45.100 -0.008 0.000 0.798 445 G HN 0.352 nan 8.290 nan 0.000 0.507 446 L N 0.069 121.292 121.223 -0.001 0.000 2.418 446 L HA 0.317 4.657 4.340 0.001 0.000 0.274 446 L C 1.073 177.944 176.870 0.002 0.000 1.135 446 L CA -0.100 54.743 54.840 0.006 0.000 0.870 446 L CB 0.758 42.815 42.059 -0.003 0.000 1.154 446 L HN 0.392 nan 8.230 nan 0.000 0.462 447 Q N 0.000 119.804 119.800 0.007 0.000 2.315 447 Q HA 0.000 4.340 4.340 0.001 0.000 0.214 447 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 447 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 447 Q HN 0.000 nan 8.270 nan 0.000 0.481