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 2vr1_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 SXXXXXXXXR VVRGDAELAQ SISMTRAEAX XXXXXXXVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.304 176.300 0.006 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.603 32.600 0.004 0.000 1.302 2 L N 1.753 122.981 121.223 0.009 0.000 2.416 2 L HA 0.205 4.545 4.340 0.001 0.000 0.272 2 L C 0.597 177.479 176.870 0.020 0.000 1.161 2 L CA -0.037 54.812 54.840 0.016 0.000 0.845 2 L CB 0.318 42.388 42.059 0.019 0.000 1.119 2 L HN 0.837 nan 8.230 nan 0.000 0.464 3 D N 1.699 122.113 120.400 0.024 0.000 2.103 3 D HA -0.057 4.584 4.640 0.001 0.000 0.199 3 D C 0.428 176.746 176.300 0.030 0.000 0.978 3 D CA 1.365 55.379 54.000 0.024 0.000 0.829 3 D CB 0.450 41.265 40.800 0.024 0.000 0.981 3 D HN 0.443 nan 8.370 nan 0.000 0.464 4 K N -0.358 120.067 120.400 0.042 0.000 2.543 4 K HA 0.411 4.732 4.320 0.001 0.000 0.255 4 K C -1.512 175.122 176.600 0.057 0.000 0.934 4 K CA -0.824 55.491 56.287 0.047 0.000 0.810 4 K CB 1.528 34.059 32.500 0.052 0.000 1.315 4 K HN 0.179 nan 8.250 nan 0.000 0.433 5 I N 0.059 120.657 120.570 0.046 0.000 2.934 5 I HA 0.567 4.737 4.170 0.001 0.000 0.306 5 I C -1.268 174.866 176.117 0.027 0.000 1.110 5 I CA -1.052 60.273 61.300 0.042 0.000 1.019 5 I CB 2.202 40.226 38.000 0.040 0.000 1.227 5 I HN 0.217 nan 8.210 nan 0.000 0.434 6 V N 5.330 125.248 119.914 0.006 0.000 2.439 6 V HA 0.386 4.506 4.120 0.001 0.000 0.282 6 V C 0.155 176.260 176.094 0.018 0.000 1.039 6 V CA -0.347 61.952 62.300 -0.002 0.000 0.913 6 V CB 1.460 33.251 31.823 -0.054 0.000 0.983 6 V HN 0.496 nan 8.190 nan 0.000 0.460 7 I N 4.735 125.318 120.570 0.022 0.000 2.310 7 I HA 0.380 4.550 4.170 0.001 0.000 0.287 7 I C 0.768 176.875 176.117 -0.016 0.000 1.073 7 I CA -0.170 61.121 61.300 -0.015 0.000 1.216 7 I CB 1.177 39.138 38.000 -0.065 0.000 1.415 7 I HN 0.655 nan 8.210 nan 0.000 0.480 8 A N 6.176 128.995 122.820 -0.002 0.000 3.091 8 A HA 0.416 4.736 4.320 0.001 0.000 0.264 8 A C 0.097 177.619 177.584 -0.102 0.000 1.673 8 A CA 0.056 52.087 52.037 -0.010 0.000 1.362 8 A CB -0.504 18.529 19.000 0.054 0.000 1.137 8 A HN 0.778 nan 8.150 nan 0.000 0.617 9 N N 0.132 118.722 118.700 -0.184 0.000 3.395 9 N HA 0.341 5.081 4.740 0.001 0.000 0.293 9 N C -1.148 174.066 175.510 -0.494 0.000 1.489 9 N CA -0.355 52.456 53.050 -0.399 0.000 0.871 9 N CB 1.087 39.391 38.487 -0.305 0.000 1.649 9 N HN 0.682 nan 8.380 nan 0.000 0.501 10 R N -0.781 119.375 120.500 -0.574 0.000 2.810 10 R HA 0.717 5.057 4.340 0.001 0.000 0.266 10 R C 0.582 176.565 176.300 -0.529 0.000 1.061 10 R CA -0.085 55.695 56.100 -0.532 0.000 0.943 10 R CB 0.204 30.061 30.300 -0.738 0.000 1.237 10 R HN 0.708 nan 8.270 nan 0.000 0.459 11 G N 1.069 109.527 108.800 -0.569 0.000 2.566 11 G HA2 -0.477 3.483 3.960 0.001 0.000 0.280 11 G HA3 -0.477 3.483 3.960 0.001 0.000 0.280 11 G C 0.712 175.237 174.900 -0.626 0.000 1.225 11 G CA 1.124 45.603 45.100 -1.034 0.000 0.966 11 G HN 1.011 nan 8.290 nan 0.000 0.560 12 E N -0.197 119.824 120.200 -0.299 0.000 2.072 12 E HA 0.034 4.385 4.350 0.001 0.000 0.191 12 E C 2.488 178.996 176.600 -0.153 0.000 0.985 12 E CA 2.125 58.491 56.400 -0.056 0.000 0.801 12 E CB -0.200 29.518 29.700 0.030 0.000 0.750 12 E HN 0.794 nan 8.360 nan 0.000 0.452 13 I N 0.976 121.409 120.570 -0.228 0.000 2.315 13 I HA -0.046 4.124 4.170 0.001 0.000 0.248 13 I C 2.246 178.140 176.117 -0.372 0.000 1.117 13 I CA 1.323 62.455 61.300 -0.280 0.000 1.404 13 I CB -0.796 36.845 38.000 -0.598 0.000 1.071 13 I HN 0.242 nan 8.210 nan 0.000 0.419 14 A N 0.210 122.726 122.820 -0.507 0.000 1.883 14 A HA -0.233 4.087 4.320 0.001 0.000 0.217 14 A C 2.273 179.559 177.584 -0.497 0.000 1.186 14 A CA 2.103 53.735 52.037 -0.675 0.000 0.624 14 A CB -1.246 16.976 19.000 -1.297 0.000 0.822 14 A HN 0.491 nan 8.150 nan 0.000 0.444 15 L N -0.259 120.759 121.223 -0.343 0.000 2.012 15 L HA -0.165 4.176 4.340 0.001 0.000 0.210 15 L C 2.445 179.258 176.870 -0.095 0.000 1.073 15 L CA 2.593 57.365 54.840 -0.114 0.000 0.748 15 L CB -0.675 41.360 42.059 -0.040 0.000 0.891 15 L HN 0.453 nan 8.230 nan 0.000 0.431 16 R N 0.079 120.513 120.500 -0.109 0.000 2.094 16 R HA -0.196 4.145 4.340 0.001 0.000 0.239 16 R C 2.162 178.411 176.300 -0.085 0.000 1.137 16 R CA 2.435 58.500 56.100 -0.058 0.000 0.943 16 R CB -0.892 29.404 30.300 -0.006 0.000 0.850 16 R HN 0.529 nan 8.270 nan 0.000 0.433 17 I N 0.215 120.679 120.570 -0.175 0.000 2.286 17 I HA -0.240 3.931 4.170 0.001 0.000 0.248 17 I C 2.341 178.396 176.117 -0.103 0.000 1.115 17 I CA 1.114 62.295 61.300 -0.197 0.000 1.392 17 I CB -0.293 37.480 38.000 -0.378 0.000 1.065 17 I HN 0.243 nan 8.210 nan 0.000 0.418 18 L N 0.759 121.930 121.223 -0.087 0.000 2.042 18 L HA -0.239 4.102 4.340 0.001 0.000 0.210 18 L C 2.753 179.619 176.870 -0.007 0.000 1.076 18 L CA 1.647 56.474 54.840 -0.021 0.000 0.749 18 L CB -0.256 41.819 42.059 0.027 0.000 0.893 18 L HN 0.083 nan 8.230 nan 0.000 0.432 19 R N -0.408 120.086 120.500 -0.010 0.000 2.081 19 R HA -0.126 4.215 4.340 0.001 0.000 0.235 19 R C 2.377 178.680 176.300 0.004 0.000 1.131 19 R CA 1.339 57.441 56.100 0.004 0.000 0.960 19 R CB -0.630 29.675 30.300 0.009 0.000 0.856 19 R HN 0.549 nan 8.270 nan 0.000 0.436 20 A N 0.586 123.404 122.820 -0.003 0.000 1.883 20 A HA -0.222 4.098 4.320 0.001 0.000 0.217 20 A C 2.386 179.974 177.584 0.005 0.000 1.186 20 A CA 1.675 53.713 52.037 0.002 0.000 0.624 20 A CB -0.998 18.000 19.000 -0.003 0.000 0.822 20 A HN 0.482 nan 8.150 nan 0.000 0.444 21 C N -0.587 118.714 119.300 0.002 0.000 2.413 21 C HA -0.112 4.348 4.460 0.001 0.000 0.277 21 C C 2.722 177.718 174.990 0.010 0.000 1.228 21 C CA 1.363 60.386 59.018 0.009 0.000 1.731 21 C CB -1.075 26.671 27.740 0.009 0.000 2.042 21 C HN 0.603 nan 8.230 nan 0.000 0.468 22 K N 0.513 120.919 120.400 0.010 0.000 2.147 22 K HA -0.166 4.154 4.320 0.001 0.000 0.205 22 K C 1.857 178.463 176.600 0.011 0.000 1.049 22 K CA 1.383 57.677 56.287 0.011 0.000 0.936 22 K CB -0.262 32.245 32.500 0.012 0.000 0.722 22 K HN 0.635 nan 8.250 nan 0.000 0.446 23 E N 0.660 120.866 120.200 0.011 0.000 2.106 23 E HA -0.117 4.233 4.350 0.001 0.000 0.192 23 E C 1.728 178.334 176.600 0.010 0.000 0.984 23 E CA 0.787 57.194 56.400 0.011 0.000 0.806 23 E CB 0.034 29.741 29.700 0.012 0.000 0.750 23 E HN 0.230 nan 8.360 nan 0.000 0.458 24 L N -0.393 120.836 121.223 0.010 0.000 2.591 24 L HA 0.145 4.486 4.340 0.001 0.000 0.228 24 L C 1.237 178.112 176.870 0.009 0.000 1.133 24 L CA 0.277 55.123 54.840 0.009 0.000 0.880 24 L CB 0.020 42.084 42.059 0.009 0.000 1.033 24 L HN 0.268 nan 8.230 nan 0.000 0.450 25 G N 1.207 110.013 108.800 0.010 0.000 2.176 25 G HA2 -0.289 3.672 3.960 0.001 0.000 0.252 25 G HA3 -0.289 3.672 3.960 0.001 0.000 0.252 25 G C 0.128 175.036 174.900 0.012 0.000 1.024 25 G CA -0.116 44.990 45.100 0.010 0.000 0.755 25 G HN 0.313 nan 8.290 nan 0.000 0.507 26 I N 0.516 121.094 120.570 0.014 0.000 2.371 26 I HA 0.264 4.434 4.170 0.001 0.000 0.290 26 I C 0.921 177.049 176.117 0.019 0.000 1.028 26 I CA -0.553 60.757 61.300 0.017 0.000 1.345 26 I CB 0.972 38.983 38.000 0.018 0.000 1.407 26 I HN 0.004 nan 8.210 nan 0.000 0.501 27 K N 4.013 124.426 120.400 0.021 0.000 2.258 27 K HA 0.295 4.616 4.320 0.001 0.000 0.264 27 K C 0.000 176.616 176.600 0.026 0.000 1.007 27 K CA -0.279 56.021 56.287 0.022 0.000 0.941 27 K CB 0.638 33.152 32.500 0.023 0.000 0.966 27 K HN 0.664 nan 8.250 nan 0.000 0.480 28 T N -1.958 112.612 114.554 0.027 0.000 2.829 28 T HA 0.460 4.810 4.350 0.001 0.000 0.280 28 T C -0.434 174.287 174.700 0.035 0.000 0.999 28 T CA -0.969 61.151 62.100 0.033 0.000 0.983 28 T CB 1.214 70.105 68.868 0.038 0.000 0.968 28 T HN 0.140 nan 8.240 nan 0.000 0.446 29 V N 2.330 122.267 119.914 0.039 0.000 2.378 29 V HA 0.691 4.812 4.120 0.001 0.000 0.288 29 V C 0.336 176.466 176.094 0.060 0.000 1.016 29 V CA -0.988 61.335 62.300 0.038 0.000 0.840 29 V CB 1.006 32.844 31.823 0.024 0.000 0.994 29 V HN 1.233 nan 8.190 nan 0.000 0.431 30 A N 5.538 128.402 122.820 0.074 0.000 2.294 30 A HA 0.701 5.022 4.320 0.001 0.000 0.316 30 A C -0.085 177.578 177.584 0.132 0.000 1.359 30 A CA -0.473 51.642 52.037 0.130 0.000 0.956 30 A CB 0.622 19.630 19.000 0.013 0.000 1.155 30 A HN 1.144 nan 8.150 nan 0.000 0.544 31 V N 2.208 122.187 119.914 0.107 0.000 2.509 31 V HA 0.788 4.908 4.120 0.001 0.000 0.284 31 V C -0.333 175.805 176.094 0.074 0.000 1.047 31 V CA -0.311 61.991 62.300 0.004 0.000 0.952 31 V CB 0.242 32.022 31.823 -0.071 0.000 0.988 31 V HN 1.084 nan 8.190 nan 0.000 0.469 32 H N 1.368 120.381 119.070 -0.095 0.000 3.012 32 H HA 0.777 5.333 4.556 0.001 0.000 0.367 32 H C -0.183 174.979 175.328 -0.276 0.000 1.211 32 H CA -0.200 55.791 56.048 -0.095 0.000 1.139 32 H CB 1.130 30.903 29.762 0.020 0.000 1.838 32 H HN 0.909 nan 8.280 nan 0.000 0.550 33 S N 0.684 116.226 115.700 -0.263 0.000 2.593 33 S HA 0.070 4.541 4.470 0.001 0.000 0.269 33 S C 1.220 175.915 174.600 0.157 0.000 1.334 33 S CA -0.127 57.982 58.200 -0.151 0.000 1.015 33 S CB 0.920 64.100 63.200 -0.032 0.000 0.912 33 S HN 1.014 nan 8.310 nan 0.000 0.541 34 S N 1.540 117.278 115.700 0.062 0.000 2.440 34 S HA -0.116 4.354 4.470 0.001 0.000 0.238 34 S C 1.847 176.537 174.600 0.150 0.000 1.010 34 S CA 0.686 58.960 58.200 0.124 0.000 0.972 34 S CB -1.080 62.142 63.200 0.036 0.000 0.774 34 S HN 1.124 nan 8.310 nan 0.000 0.501 35 A N 1.490 124.406 122.820 0.159 0.000 2.066 35 A HA 0.030 4.350 4.320 0.001 0.000 0.218 35 A C 1.355 179.118 177.584 0.298 0.000 1.157 35 A CA 1.201 53.378 52.037 0.234 0.000 0.670 35 A CB -0.279 18.887 19.000 0.277 0.000 0.804 35 A HN 0.430 nan 8.150 nan 0.000 0.453 36 D N -0.846 119.743 120.400 0.315 0.000 2.525 36 D HA 0.149 4.790 4.640 0.001 0.000 0.229 36 D C 1.399 177.742 176.300 0.071 0.000 1.202 36 D CA -0.083 54.083 54.000 0.277 0.000 0.828 36 D CB -0.006 40.992 40.800 0.329 0.000 1.008 36 D HN 0.390 nan 8.370 nan 0.000 0.493 37 R N 0.278 120.787 120.500 0.014 0.000 2.159 37 R HA -0.084 4.256 4.340 0.001 0.000 0.237 37 R C 0.216 176.441 176.300 -0.124 0.000 1.131 37 R CA 0.899 56.876 56.100 -0.204 0.000 0.982 37 R CB 0.121 30.398 30.300 -0.038 0.000 0.868 37 R HN 0.082 nan 8.270 nan 0.000 0.453 38 D N 0.375 120.818 120.400 0.072 0.000 2.463 38 D HA 0.130 4.771 4.640 0.001 0.000 0.224 38 D C 0.128 176.614 176.300 0.311 0.000 1.174 38 D CA -0.056 54.058 54.000 0.190 0.000 0.829 38 D CB 0.238 41.217 40.800 0.297 0.000 0.993 38 D HN 0.085 nan 8.370 nan 0.000 0.497 39 L N 0.909 122.245 121.223 0.189 0.000 2.506 39 L HA -0.043 4.297 4.340 0.001 0.000 0.281 39 L C 1.933 178.839 176.870 0.061 0.000 1.228 39 L CA -0.137 54.794 54.840 0.152 0.000 0.850 39 L CB 0.834 42.954 42.059 0.102 0.000 1.110 39 L HN -0.222 nan 8.230 nan 0.000 0.496 40 K N 1.940 122.401 120.400 0.101 0.000 2.032 40 K HA -0.234 4.086 4.320 0.001 0.000 0.209 40 K C 2.130 178.732 176.600 0.003 0.000 1.048 40 K CA 1.997 58.306 56.287 0.036 0.000 0.927 40 K CB -0.222 32.317 32.500 0.066 0.000 0.712 40 K HN 0.761 nan 8.250 nan 0.000 0.441 41 H N -0.717 118.330 119.070 -0.038 0.000 2.423 41 H HA -0.015 4.542 4.556 0.001 0.000 0.297 41 H C 1.737 177.041 175.328 -0.040 0.000 1.075 41 H CA 1.456 57.476 56.048 -0.047 0.000 1.342 41 H CB -0.530 29.190 29.762 -0.069 0.000 1.395 41 H HN 0.026 nan 8.280 nan 0.000 0.530 42 V N 1.998 121.459 119.914 -0.754 0.000 2.295 42 V HA -0.237 3.884 4.120 0.001 0.000 0.246 42 V C 3.126 179.070 176.094 -0.251 0.000 1.049 42 V CA 1.579 63.552 62.300 -0.546 0.000 1.024 42 V CB -0.665 30.856 31.823 -0.503 0.000 0.648 42 V HN 0.289 nan 8.190 nan 0.000 0.447 43 L N -0.714 120.401 121.223 -0.180 0.000 2.265 43 L HA -0.128 4.212 4.340 0.001 0.000 0.215 43 L C 2.089 178.909 176.870 -0.084 0.000 1.117 43 L CA 1.261 56.033 54.840 -0.113 0.000 0.782 43 L CB -0.375 41.621 42.059 -0.106 0.000 0.914 43 L HN 0.340 nan 8.230 nan 0.000 0.441 44 L N -1.018 120.160 121.223 -0.075 0.000 2.554 44 L HA 0.241 4.582 4.340 0.001 0.000 0.225 44 L C 1.391 178.247 176.870 -0.024 0.000 1.104 44 L CA -0.480 54.337 54.840 -0.038 0.000 0.866 44 L CB -0.193 41.857 42.059 -0.015 0.000 1.047 44 L HN 0.077 nan 8.230 nan 0.000 0.468 45 A N 0.233 123.031 122.820 -0.038 0.000 2.386 45 A HA 0.025 4.346 4.320 0.001 0.000 0.246 45 A C 0.746 178.326 177.584 -0.007 0.000 1.089 45 A CA -0.110 51.921 52.037 -0.010 0.000 0.790 45 A CB 0.236 19.226 19.000 -0.017 0.000 1.042 45 A HN 0.161 nan 8.150 nan 0.000 0.497 46 D N 0.047 120.451 120.400 0.007 0.000 2.137 46 D HA 0.009 4.649 4.640 0.001 0.000 0.202 46 D C 0.243 176.548 176.300 0.008 0.000 0.970 46 D CA 1.305 55.310 54.000 0.007 0.000 0.837 46 D CB 0.237 41.045 40.800 0.013 0.000 0.981 46 D HN 0.720 nan 8.370 nan 0.000 0.475 47 E N -0.438 119.770 120.200 0.013 0.000 2.343 47 E HA 0.415 4.765 4.350 0.001 0.000 0.270 47 E C -0.607 176.008 176.600 0.024 0.000 0.895 47 E CA -0.573 55.838 56.400 0.017 0.000 0.767 47 E CB 2.519 32.231 29.700 0.020 0.000 1.248 47 E HN -0.035 nan 8.360 nan 0.000 0.440 48 T N -1.853 112.723 114.554 0.036 0.000 2.893 48 T HA 0.700 5.050 4.350 0.001 0.000 0.291 48 T C -0.830 173.912 174.700 0.069 0.000 1.028 48 T CA -0.717 61.431 62.100 0.081 0.000 0.995 48 T CB 1.289 70.220 68.868 0.105 0.000 1.051 48 T HN 0.151 nan 8.240 nan 0.000 0.470 49 V N 1.637 121.573 119.914 0.037 0.000 2.612 49 V HA 0.403 4.523 4.120 0.001 0.000 0.301 49 V C 0.202 176.055 176.094 -0.402 0.000 1.059 49 V CA -1.231 61.008 62.300 -0.102 0.000 0.886 49 V CB 1.374 33.142 31.823 -0.092 0.000 1.007 49 V HN 1.314 nan 8.190 nan 0.000 0.426 50 C N 6.768 125.789 119.300 -0.465 0.000 2.576 50 C HA 0.477 4.937 4.460 0.001 0.000 0.401 50 C C 1.507 176.256 174.990 -0.401 0.000 1.314 50 C CA -0.129 58.476 59.018 -0.688 0.000 1.855 50 C CB -1.000 26.531 27.740 -0.349 0.000 2.537 50 C HN 0.896 nan 8.230 nan 0.000 0.578 51 I N 4.208 124.523 120.570 -0.424 0.000 3.927 51 I HA 0.586 4.756 4.170 0.001 0.000 0.332 51 I C 0.635 176.590 176.117 -0.270 0.000 1.485 51 I CA 0.298 61.414 61.300 -0.306 0.000 1.131 51 I CB -0.555 37.253 38.000 -0.319 0.000 1.092 51 I HN 0.862 nan 8.210 nan 0.000 0.410 52 G N 1.533 110.184 108.800 -0.247 0.000 2.351 52 G HA2 0.089 4.049 3.960 0.001 0.000 0.353 52 G HA3 0.089 4.049 3.960 0.001 0.000 0.353 52 G C -3.341 171.460 174.900 -0.164 0.000 1.358 52 G CA -0.840 44.152 45.100 -0.181 0.000 0.995 52 G HN -0.028 nan 8.290 nan 0.000 0.611 53 P HA 0.412 nan 4.420 nan 0.000 0.275 53 P C 1.294 178.507 177.300 -0.145 0.000 1.270 53 P CA 0.777 63.805 63.100 -0.121 0.000 0.791 53 P CB 0.394 32.029 31.700 -0.108 0.000 1.089 54 A N 0.239 122.920 122.820 -0.231 0.000 1.892 54 A HA -0.050 4.270 4.320 0.001 0.000 0.218 54 A C -1.136 176.341 177.584 -0.178 0.000 1.188 54 A CA 1.512 53.346 52.037 -0.339 0.000 0.631 54 A CB -2.632 15.682 19.000 -1.144 0.000 0.822 54 A HN 0.538 nan 8.150 nan 0.000 0.447 55 P HA 0.154 nan 4.420 nan 0.000 0.268 55 P C 0.580 177.957 177.300 0.129 0.000 1.205 55 P CA 0.348 63.435 63.100 -0.022 0.000 0.771 55 P CB 0.881 32.561 31.700 -0.032 0.000 0.858 56 S N 1.851 117.724 115.700 0.288 0.000 2.382 56 S HA -0.133 4.337 4.470 0.001 0.000 0.228 56 S C 1.804 176.512 174.600 0.180 0.000 1.027 56 S CA 1.614 60.039 58.200 0.374 0.000 0.991 56 S CB -0.986 62.559 63.200 0.575 0.000 0.823 56 S HN 0.561 nan 8.310 nan 0.000 0.469 57 V N 0.214 120.204 119.914 0.126 0.000 2.568 57 V HA -0.046 4.075 4.120 0.001 0.000 0.253 57 V C 1.591 177.689 176.094 0.007 0.000 1.072 57 V CA 1.488 63.825 62.300 0.062 0.000 1.084 57 V CB -0.543 31.310 31.823 0.049 0.000 0.676 57 V HN 0.305 nan 8.190 nan 0.000 0.469 58 K N 0.633 121.025 120.400 -0.012 0.000 2.404 58 K HA 0.190 4.511 4.320 0.001 0.000 0.194 58 K C 1.528 178.057 176.600 -0.119 0.000 1.023 58 K CA 0.946 57.198 56.287 -0.058 0.000 1.094 58 K CB 0.527 32.991 32.500 -0.061 0.000 0.841 58 K HN 0.823 nan 8.250 nan 0.000 0.523 59 S N -1.220 114.388 115.700 -0.152 0.000 4.163 59 S HA 0.026 4.496 4.470 0.001 0.000 0.164 59 S C 1.482 175.839 174.600 -0.405 0.000 0.896 59 S CA -0.380 57.614 58.200 -0.344 0.000 1.125 59 S CB -0.562 62.340 63.200 -0.496 0.000 1.698 59 S HN 0.064 nan 8.310 nan 0.000 0.817 60 Y N 2.339 122.487 120.300 -0.254 0.000 2.497 60 Y HA 0.364 4.914 4.550 0.001 0.000 0.292 60 Y C 1.888 177.575 175.900 -0.355 0.000 1.137 60 Y CA 0.614 58.426 58.100 -0.480 0.000 1.285 60 Y CB -0.430 37.381 38.460 -1.081 0.000 0.991 60 Y HN 0.239 nan 8.280 nan 0.000 0.556 61 L N -0.641 120.551 121.223 -0.051 0.000 2.640 61 L HA 0.109 4.450 4.340 0.001 0.000 0.230 61 L C 0.581 177.393 176.870 -0.096 0.000 1.123 61 L CA -0.147 54.667 54.840 -0.043 0.000 0.900 61 L CB -0.061 42.041 42.059 0.072 0.000 1.146 61 L HN -0.014 nan 8.230 nan 0.000 0.484 62 N N 1.625 120.256 118.700 -0.114 0.000 2.421 62 N HA 0.094 4.834 4.740 0.001 0.000 0.260 62 N C 0.927 176.379 175.510 -0.097 0.000 1.173 62 N CA 0.277 53.269 53.050 -0.096 0.000 0.960 62 N CB 0.460 38.882 38.487 -0.109 0.000 1.273 62 N HN 0.189 nan 8.380 nan 0.000 0.497 63 I N 4.556 125.089 120.570 -0.061 0.000 2.163 63 I HA -0.133 4.037 4.170 0.001 0.000 0.240 63 I C -0.652 175.492 176.117 0.045 0.000 1.081 63 I CA 0.690 61.990 61.300 0.001 0.000 1.353 63 I CB -1.018 37.036 38.000 0.090 0.000 1.054 63 I HN 0.399 nan 8.210 nan 0.000 0.407 64 P HA -0.253 nan 4.420 nan 0.000 0.218 64 P C 1.343 178.645 177.300 0.003 0.000 1.152 64 P CA 2.126 65.240 63.100 0.024 0.000 0.857 64 P CB -0.050 31.654 31.700 0.007 0.000 0.787 65 A N -1.326 121.476 122.820 -0.031 0.000 1.898 65 A HA -0.096 4.224 4.320 0.001 0.000 0.214 65 A C 2.209 179.753 177.584 -0.067 0.000 1.183 65 A CA 1.071 53.071 52.037 -0.062 0.000 0.622 65 A CB -1.398 17.540 19.000 -0.103 0.000 0.824 65 A HN 0.096 nan 8.150 nan 0.000 0.444 66 I N -0.232 120.301 120.570 -0.062 0.000 2.179 66 I HA -0.263 3.907 4.170 0.001 0.000 0.242 66 I C 2.254 178.346 176.117 -0.042 0.000 1.088 66 I CA 1.373 62.643 61.300 -0.050 0.000 1.357 66 I CB -0.251 37.735 38.000 -0.023 0.000 1.051 66 I HN 0.289 nan 8.210 nan 0.000 0.409 67 I N -0.328 120.246 120.570 0.006 0.000 2.315 67 I HA -0.299 3.872 4.170 0.001 0.000 0.248 67 I C 2.747 178.868 176.117 0.006 0.000 1.117 67 I CA 1.324 62.607 61.300 -0.027 0.000 1.404 67 I CB -0.324 37.724 38.000 0.080 0.000 1.071 67 I HN 0.218 nan 8.210 nan 0.000 0.419 68 S N 0.748 116.458 115.700 0.017 0.000 2.370 68 S HA -0.221 4.249 4.470 0.001 0.000 0.226 68 S C 2.245 176.850 174.600 0.009 0.000 1.033 68 S CA 1.536 59.751 58.200 0.024 0.000 1.011 68 S CB -0.242 62.959 63.200 0.002 0.000 0.852 68 S HN 0.459 nan 8.310 nan 0.000 0.457 69 A N 1.435 124.237 122.820 -0.030 0.000 1.902 69 A HA 0.221 4.542 4.320 0.001 0.000 0.217 69 A C 2.519 180.089 177.584 -0.024 0.000 1.181 69 A CA 1.887 53.902 52.037 -0.037 0.000 0.623 69 A CB -1.474 17.484 19.000 -0.069 0.000 0.818 69 A HN 0.830 nan 8.150 nan 0.000 0.443 70 A N -0.230 122.539 122.820 -0.085 0.000 1.908 70 A HA -0.204 4.117 4.320 0.001 0.000 0.218 70 A C 1.925 179.604 177.584 0.158 0.000 1.181 70 A CA 1.818 53.777 52.037 -0.130 0.000 0.627 70 A CB -0.554 18.016 19.000 -0.716 0.000 0.818 70 A HN 0.646 nan 8.150 nan 0.000 0.445 71 E N -0.208 120.137 120.200 0.242 0.000 2.031 71 E HA -0.190 4.161 4.350 0.001 0.000 0.193 71 E C 2.033 178.719 176.600 0.142 0.000 0.994 71 E CA 1.608 58.179 56.400 0.285 0.000 0.800 71 E CB -0.434 29.395 29.700 0.216 0.000 0.752 71 E HN 0.875 nan 8.360 nan 0.000 0.447 72 I N -0.296 120.324 120.570 0.084 0.000 2.394 72 I HA -0.155 4.015 4.170 0.001 0.000 0.251 72 I C 2.288 178.434 176.117 0.048 0.000 1.136 72 I CA 1.667 62.997 61.300 0.050 0.000 1.425 72 I CB -0.700 37.315 38.000 0.026 0.000 1.079 72 I HN 0.006 nan 8.210 nan 0.000 0.425 73 T N -1.495 113.091 114.554 0.054 0.000 3.113 73 T HA 0.307 4.658 4.350 0.001 0.000 0.256 73 T C 1.590 176.328 174.700 0.064 0.000 1.131 73 T CA 0.382 62.510 62.100 0.048 0.000 1.074 73 T CB -0.295 68.595 68.868 0.037 0.000 0.944 73 T HN 0.821 nan 8.240 nan 0.000 0.516 74 G N 1.420 110.276 108.800 0.094 0.000 2.198 74 G HA2 -0.007 3.953 3.960 0.001 0.000 0.257 74 G HA3 -0.007 3.953 3.960 0.001 0.000 0.257 74 G C 0.247 175.225 174.900 0.130 0.000 1.042 74 G CA -0.098 45.060 45.100 0.097 0.000 0.791 74 G HN 1.132 nan 8.290 nan 0.000 0.502 75 A N -0.899 122.036 122.820 0.192 0.000 2.406 75 A HA 0.702 5.022 4.320 0.001 0.000 0.243 75 A C 1.696 179.477 177.584 0.329 0.000 1.082 75 A CA 0.724 52.885 52.037 0.206 0.000 0.786 75 A CB 0.775 19.856 19.000 0.134 0.000 1.029 75 A HN 1.631 nan 8.150 nan 0.000 0.495 76 V N -2.604 117.456 119.914 0.243 0.000 3.645 76 V HA 0.629 4.749 4.120 0.001 0.000 0.275 76 V C 0.579 176.860 176.094 0.312 0.000 1.356 76 V CA 0.842 63.279 62.300 0.229 0.000 1.051 76 V CB -1.107 30.770 31.823 0.090 0.000 0.828 76 V HN 1.753 nan 8.190 nan 0.000 0.441 77 A N -0.032 122.941 122.820 0.255 0.000 2.599 77 A HA 0.874 5.194 4.320 0.001 0.000 0.290 77 A C -1.456 176.150 177.584 0.036 0.000 1.101 77 A CA -0.616 51.511 52.037 0.149 0.000 0.674 77 A CB 1.588 20.628 19.000 0.068 0.000 1.277 77 A HN 0.292 nan 8.150 nan 0.000 0.419 78 I N 1.342 121.909 120.570 -0.005 0.000 2.571 78 I HA 0.292 4.462 4.170 0.001 0.000 0.289 78 I C -1.229 174.863 176.117 -0.042 0.000 1.115 78 I CA -0.488 60.804 61.300 -0.014 0.000 1.045 78 I CB 2.156 40.148 38.000 -0.013 0.000 1.238 78 I HN 0.760 nan 8.210 nan 0.000 0.424 79 H N 8.548 127.561 119.070 -0.094 0.000 2.556 79 H HA 0.376 4.932 4.556 0.001 0.000 0.310 79 H C -2.135 173.142 175.328 -0.085 0.000 1.057 79 H CA -2.266 53.692 56.048 -0.150 0.000 1.264 79 H CB 2.071 31.754 29.762 -0.131 0.000 1.404 79 H HN 0.305 nan 8.280 nan 0.000 0.462 80 P HA 0.115 nan 4.420 nan 0.000 0.255 80 P C 0.801 178.208 177.300 0.179 0.000 1.248 80 P CA 0.810 64.055 63.100 0.241 0.000 0.807 80 P CB 0.603 32.505 31.700 0.336 0.000 1.150 81 G N 1.204 110.143 108.800 0.230 0.000 2.582 81 G HA2 -0.258 3.703 3.960 0.001 0.000 0.288 81 G HA3 -0.258 3.703 3.960 0.001 0.000 0.288 81 G C -0.545 174.401 174.900 0.076 0.000 1.247 81 G CA 0.460 45.527 45.100 -0.054 0.000 0.972 81 G HN 0.444 nan 8.290 nan 0.000 0.557 82 Y N -1.187 119.151 120.300 0.062 0.000 2.567 82 Y HA 0.697 5.247 4.550 0.001 0.000 0.333 82 Y C 1.035 176.949 175.900 0.024 0.000 1.106 82 Y CA -0.400 57.730 58.100 0.051 0.000 1.157 82 Y CB 0.751 39.226 38.460 0.025 0.000 1.277 82 Y HN 2.558 nan 8.280 nan 0.000 0.490 83 G N 1.109 110.052 108.800 0.239 0.000 2.641 83 G HA2 -0.263 3.697 3.960 0.001 0.000 0.254 83 G HA3 -0.263 3.697 3.960 0.001 0.000 0.254 83 G C 0.093 175.018 174.900 0.041 0.000 1.315 83 G CA 0.423 45.532 45.100 0.015 0.000 0.907 83 G HN 1.306 nan 8.290 nan 0.000 0.572 84 F N -2.124 117.840 119.950 0.022 0.000 2.478 84 F HA -0.325 4.203 4.527 0.001 0.000 0.218 84 F C 2.219 178.011 175.800 -0.012 0.000 1.459 84 F CA 2.372 60.364 58.000 -0.013 0.000 2.000 84 F CB -1.158 37.802 39.000 -0.065 0.000 0.456 84 F HN 0.451 nan 8.300 nan 0.000 0.231 85 L N 0.359 121.698 121.223 0.194 0.000 2.769 85 L HA 0.149 4.490 4.340 0.001 0.000 0.240 85 L C 1.774 178.812 176.870 0.280 0.000 1.163 85 L CA 0.578 55.465 54.840 0.079 0.000 0.962 85 L CB -0.018 41.809 42.059 -0.385 0.000 1.258 85 L HN 0.497 nan 8.230 nan 0.000 0.513 86 S N -0.652 115.214 115.700 0.276 0.000 2.402 86 S HA -0.140 4.330 4.470 0.001 0.000 0.229 86 S C 1.306 176.105 174.600 0.331 0.000 1.021 86 S CA 0.895 59.294 58.200 0.332 0.000 0.974 86 S CB -0.087 63.258 63.200 0.242 0.000 0.800 86 S HN 0.505 nan 8.310 nan 0.000 0.484 87 E N 1.249 121.588 120.200 0.230 0.000 2.569 87 E HA 0.226 4.577 4.350 0.001 0.000 0.205 87 E C -0.513 176.174 176.600 0.146 0.000 1.006 87 E CA -0.325 56.183 56.400 0.180 0.000 0.985 87 E CB 0.182 29.959 29.700 0.128 0.000 1.060 87 E HN 0.362 nan 8.360 nan 0.000 0.460 88 N N 1.160 119.966 118.700 0.177 0.000 2.439 88 N HA 0.104 4.845 4.740 0.001 0.000 0.243 88 N C 0.590 176.160 175.510 0.100 0.000 1.088 88 N CA 0.035 53.169 53.050 0.139 0.000 0.940 88 N CB 1.242 39.822 38.487 0.157 0.000 1.180 88 N HN 0.097 nan 8.380 nan 0.000 0.505 89 A N 4.546 127.390 122.820 0.039 0.000 1.933 89 A HA -0.181 4.140 4.320 0.001 0.000 0.218 89 A C 1.879 179.423 177.584 -0.066 0.000 1.175 89 A CA 1.136 53.152 52.037 -0.035 0.000 0.628 89 A CB -0.247 18.743 19.000 -0.017 0.000 0.814 89 A HN 0.673 nan 8.150 nan 0.000 0.444 90 N N -0.760 117.940 118.700 -0.001 0.000 2.104 90 N HA -0.173 4.568 4.740 0.001 0.000 0.190 90 N C 1.447 176.965 175.510 0.014 0.000 1.024 90 N CA 1.658 54.711 53.050 0.005 0.000 0.853 90 N CB -0.682 37.830 38.487 0.042 0.000 1.008 90 N HN 0.636 nan 8.380 nan 0.000 0.424 91 F N 1.382 121.273 119.950 -0.099 0.000 2.102 91 F HA -0.152 4.375 4.527 0.001 0.000 0.298 91 F C 2.177 177.824 175.800 -0.254 0.000 1.105 91 F CA 1.439 59.375 58.000 -0.107 0.000 1.239 91 F CB -0.121 38.857 39.000 -0.036 0.000 0.991 91 F HN 0.047 nan 8.300 nan 0.000 0.474 92 A N -0.300 122.148 122.820 -0.620 0.000 1.972 92 A HA -0.247 4.074 4.320 0.001 0.000 0.219 92 A C 2.144 179.300 177.584 -0.714 0.000 1.169 92 A CA 1.921 53.195 52.037 -1.272 0.000 0.635 92 A CB -0.881 17.335 19.000 -1.306 0.000 0.810 92 A HN 0.623 nan 8.150 nan 0.000 0.446 93 E N -1.241 118.724 120.200 -0.391 0.000 2.076 93 E HA -0.160 4.191 4.350 0.001 0.000 0.190 93 E C 2.175 178.666 176.600 -0.182 0.000 0.979 93 E CA 0.627 56.889 56.400 -0.230 0.000 0.807 93 E CB -0.077 29.541 29.700 -0.137 0.000 0.761 93 E HN 0.478 nan 8.360 nan 0.000 0.454 94 Q N 0.369 120.064 119.800 -0.174 0.000 2.124 94 Q HA -0.116 4.224 4.340 0.001 0.000 0.202 94 Q C 2.277 178.212 176.000 -0.108 0.000 0.977 94 Q CA 0.882 56.627 55.803 -0.095 0.000 0.850 94 Q CB -0.234 28.494 28.738 -0.018 0.000 0.901 94 Q HN 0.222 nan 8.270 nan 0.000 0.429 95 V N 1.217 120.965 119.914 -0.276 0.000 2.255 95 V HA -0.268 3.853 4.120 0.001 0.000 0.247 95 V C 2.192 178.299 176.094 0.022 0.000 1.051 95 V CA 2.080 64.282 62.300 -0.164 0.000 1.018 95 V CB -0.445 31.168 31.823 -0.349 0.000 0.641 95 V HN 0.413 nan 8.190 nan 0.000 0.445 96 E N -0.415 119.743 120.200 -0.069 0.000 2.106 96 E HA -0.245 4.105 4.350 0.001 0.000 0.192 96 E C 2.403 178.986 176.600 -0.029 0.000 0.984 96 E CA 1.208 57.592 56.400 -0.027 0.000 0.806 96 E CB -0.168 29.497 29.700 -0.058 0.000 0.750 96 E HN 0.455 nan 8.360 nan 0.000 0.458 97 R N 0.571 121.047 120.500 -0.039 0.000 2.148 97 R HA -0.020 4.320 4.340 0.001 0.000 0.227 97 R C 1.894 178.183 176.300 -0.019 0.000 1.103 97 R CA 1.136 57.217 56.100 -0.032 0.000 0.983 97 R CB 0.083 30.364 30.300 -0.033 0.000 0.874 97 R HN -0.083 nan 8.270 nan 0.000 0.451 98 S N -0.708 115.005 115.700 0.022 0.000 2.561 98 S HA 0.127 4.598 4.470 0.001 0.000 0.225 98 S C 0.939 175.461 174.600 -0.131 0.000 0.977 98 S CA 0.744 58.968 58.200 0.040 0.000 0.926 98 S CB 0.698 64.036 63.200 0.230 0.000 0.769 98 S HN 0.718 nan 8.310 nan 0.000 0.533 99 G N 0.709 109.432 108.800 -0.128 0.000 2.131 99 G HA2 -0.222 3.738 3.960 0.001 0.000 0.223 99 G HA3 -0.222 3.738 3.960 0.001 0.000 0.223 99 G C -0.099 174.592 174.900 -0.347 0.000 0.990 99 G CA -0.450 44.506 45.100 -0.242 0.000 0.671 99 G HN 0.403 nan 8.290 nan 0.000 0.521 100 F N 0.023 119.957 119.950 -0.026 0.000 2.403 100 F HA 0.695 5.222 4.527 0.001 0.000 0.326 100 F C 1.201 176.996 175.800 -0.009 0.000 1.081 100 F CA -1.203 56.788 58.000 -0.014 0.000 1.041 100 F CB 0.919 39.914 39.000 -0.009 0.000 1.234 100 F HN -0.052 nan 8.300 nan 0.000 0.503 101 I N 2.353 123.039 120.570 0.192 0.000 2.441 101 I HA 0.056 4.226 4.170 0.001 0.000 0.287 101 I C -0.520 175.676 176.117 0.132 0.000 1.049 101 I CA -0.145 61.222 61.300 0.112 0.000 1.381 101 I CB 0.513 38.544 38.000 0.051 0.000 1.409 101 I HN 0.430 nan 8.210 nan 0.000 0.523 102 F N 7.617 127.531 119.950 -0.061 0.000 2.411 102 F HA 0.444 4.971 4.527 0.001 0.000 0.355 102 F C 0.234 175.959 175.800 -0.125 0.000 1.117 102 F CA -0.600 57.331 58.000 -0.115 0.000 1.139 102 F CB 0.576 39.482 39.000 -0.158 0.000 1.120 102 F HN 0.270 nan 8.300 nan 0.000 0.493 103 I N 7.364 127.542 120.570 -0.653 0.000 2.270 103 I HA 0.392 4.563 4.170 0.001 0.000 0.300 103 I C 0.585 176.163 176.117 -0.898 0.000 1.186 103 I CA 0.330 61.248 61.300 -0.638 0.000 1.431 103 I CB -0.863 36.768 38.000 -0.615 0.000 1.485 103 I HN 0.801 nan 8.210 nan 0.000 0.650 104 G N 6.488 114.919 108.800 -0.616 0.000 2.321 104 G HA2 0.331 4.291 3.960 0.001 0.000 0.296 104 G HA3 0.331 4.291 3.960 0.001 0.000 0.296 104 G C -3.303 171.545 174.900 -0.087 0.000 1.287 104 G CA -0.649 44.208 45.100 -0.405 0.000 0.846 104 G HN 0.132 nan 8.290 nan 0.000 0.508 105 P HA 0.364 nan 4.420 nan 0.000 0.293 105 P C -0.637 176.681 177.300 0.029 0.000 1.304 105 P CA -0.475 62.531 63.100 -0.157 0.000 0.767 105 P CB 0.760 32.237 31.700 -0.372 0.000 1.247 106 K N -0.384 119.985 120.400 -0.051 0.000 2.202 106 K HA 0.281 4.602 4.320 0.001 0.000 0.264 106 K C 1.455 178.024 176.600 -0.052 0.000 1.010 106 K CA -0.129 56.135 56.287 -0.039 0.000 0.940 106 K CB 0.411 32.887 32.500 -0.041 0.000 0.983 106 K HN 0.403 nan 8.250 nan 0.000 0.475 107 A N 3.060 125.817 122.820 -0.105 0.000 1.917 107 A HA -0.233 4.088 4.320 0.001 0.000 0.219 107 A C 1.837 179.393 177.584 -0.046 0.000 1.182 107 A CA 1.837 53.805 52.037 -0.116 0.000 0.633 107 A CB -0.396 18.517 19.000 -0.145 0.000 0.819 107 A HN 0.837 nan 8.150 nan 0.000 0.448 108 E N -0.625 119.557 120.200 -0.030 0.000 2.153 108 E HA -0.096 4.254 4.350 0.001 0.000 0.194 108 E C 2.024 178.636 176.600 0.020 0.000 0.988 108 E CA 1.717 58.114 56.400 -0.005 0.000 0.811 108 E CB -0.378 29.320 29.700 -0.004 0.000 0.746 108 E HN 0.666 nan 8.360 nan 0.000 0.466 109 T N 0.210 114.783 114.554 0.031 0.000 2.942 109 T HA 0.020 4.370 4.350 0.001 0.000 0.265 109 T C 1.903 176.662 174.700 0.099 0.000 1.062 109 T CA 0.566 62.714 62.100 0.079 0.000 1.139 109 T CB -0.097 68.830 68.868 0.099 0.000 0.883 109 T HN 0.075 nan 8.240 nan 0.000 0.468 110 I N 0.751 121.365 120.570 0.074 0.000 2.179 110 I HA -0.142 4.029 4.170 0.001 0.000 0.242 110 I C 2.883 179.038 176.117 0.063 0.000 1.088 110 I CA 1.255 62.605 61.300 0.083 0.000 1.357 110 I CB -0.259 37.782 38.000 0.067 0.000 1.051 110 I HN 0.080 nan 8.210 nan 0.000 0.409 111 R N 0.215 120.738 120.500 0.039 0.000 2.083 111 R HA -0.209 4.131 4.340 0.001 0.000 0.237 111 R C 2.326 178.651 176.300 0.042 0.000 1.137 111 R CA 1.569 57.689 56.100 0.033 0.000 0.951 111 R CB -0.541 29.769 30.300 0.018 0.000 0.851 111 R HN 0.214 nan 8.270 nan 0.000 0.434 112 L N 0.426 121.677 121.223 0.046 0.000 1.989 112 L HA -0.186 4.155 4.340 0.001 0.000 0.211 112 L C 1.858 178.765 176.870 0.062 0.000 1.071 112 L CA 1.882 56.751 54.840 0.049 0.000 0.749 112 L CB -0.185 41.905 42.059 0.053 0.000 0.890 112 L HN 0.165 nan 8.230 nan 0.000 0.431 113 M N -0.978 118.667 119.600 0.076 0.000 2.561 113 M HA 0.183 4.663 4.480 0.001 0.000 0.238 113 M C 1.843 178.192 176.300 0.080 0.000 1.131 113 M CA 0.804 56.158 55.300 0.089 0.000 1.046 113 M CB -1.461 31.187 32.600 0.081 0.000 1.532 113 M HN 0.388 nan 8.290 nan 0.000 0.497 114 G N -0.247 108.592 108.800 0.066 0.000 2.939 114 G HA2 -0.008 3.952 3.960 0.001 0.000 0.210 114 G HA3 -0.008 3.952 3.960 0.001 0.000 0.210 114 G C -0.285 174.643 174.900 0.047 0.000 1.160 114 G CA -0.064 45.068 45.100 0.054 0.000 0.770 114 G HN 0.421 nan 8.290 nan 0.000 0.543 115 D N -0.742 119.689 120.400 0.051 0.000 2.408 115 D HA 0.297 4.937 4.640 0.001 0.000 0.243 115 D C 1.280 177.613 176.300 0.056 0.000 1.075 115 D CA -0.662 53.364 54.000 0.043 0.000 0.832 115 D CB 1.525 42.345 40.800 0.034 0.000 1.162 115 D HN -0.100 nan 8.370 nan 0.000 0.515 116 K N 2.407 122.838 120.400 0.052 0.000 2.063 116 K HA -0.116 4.205 4.320 0.001 0.000 0.208 116 K C 1.381 178.023 176.600 0.071 0.000 1.048 116 K CA 1.167 57.496 56.287 0.070 0.000 0.928 116 K CB 0.108 32.639 32.500 0.053 0.000 0.713 116 K HN 0.388 nan 8.250 nan 0.000 0.442 117 V N 1.130 121.067 119.914 0.037 0.000 2.270 117 V HA -0.243 3.877 4.120 0.001 0.000 0.245 117 V C 2.399 178.509 176.094 0.027 0.000 1.043 117 V CA 2.186 64.497 62.300 0.018 0.000 1.014 117 V CB -0.418 31.400 31.823 -0.008 0.000 0.645 117 V HN 0.536 nan 8.190 nan 0.000 0.447 118 S N 0.840 116.557 115.700 0.029 0.000 2.406 118 S HA -0.066 4.405 4.470 0.001 0.000 0.228 118 S C 2.101 176.722 174.600 0.035 0.000 1.020 118 S CA 1.130 59.345 58.200 0.026 0.000 0.965 118 S CB -0.457 62.757 63.200 0.024 0.000 0.798 118 S HN 0.543 nan 8.310 nan 0.000 0.488 119 A N 2.941 125.800 122.820 0.065 0.000 1.865 119 A HA -0.004 4.316 4.320 0.001 0.000 0.217 119 A C 2.250 179.857 177.584 0.037 0.000 1.191 119 A CA 1.707 53.798 52.037 0.090 0.000 0.623 119 A CB -0.875 18.243 19.000 0.196 0.000 0.826 119 A HN 0.505 nan 8.150 nan 0.000 0.444 120 I N 0.007 120.633 120.570 0.093 0.000 2.208 120 I HA -0.271 3.899 4.170 0.001 0.000 0.245 120 I C 2.914 179.021 176.117 -0.016 0.000 1.097 120 I CA 1.636 62.972 61.300 0.060 0.000 1.363 120 I CB -1.677 36.394 38.000 0.118 0.000 1.051 120 I HN 0.381 nan 8.210 nan 0.000 0.413 121 A N 0.750 123.570 122.820 -0.001 0.000 1.969 121 A HA -0.032 4.289 4.320 0.001 0.000 0.218 121 A C 2.567 180.133 177.584 -0.030 0.000 1.169 121 A CA 1.697 53.728 52.037 -0.011 0.000 0.635 121 A CB -0.622 18.377 19.000 -0.002 0.000 0.810 121 A HN 0.419 nan 8.150 nan 0.000 0.445 122 A N -0.819 121.978 122.820 -0.038 0.000 1.898 122 A HA -0.076 4.244 4.320 0.001 0.000 0.216 122 A C 2.165 179.691 177.584 -0.095 0.000 1.181 122 A CA 1.837 53.846 52.037 -0.047 0.000 0.620 122 A CB -0.425 18.560 19.000 -0.025 0.000 0.819 122 A HN 0.418 nan 8.150 nan 0.000 0.442 123 M N -0.396 119.099 119.600 -0.175 0.000 2.156 123 M HA -0.060 4.421 4.480 0.001 0.000 0.264 123 M C 1.973 178.175 176.300 -0.164 0.000 1.067 123 M CA 1.511 56.646 55.300 -0.275 0.000 1.131 123 M CB -1.140 31.089 32.600 -0.619 0.000 1.368 123 M HN 0.382 nan 8.290 nan 0.000 0.416 124 K N 0.211 120.552 120.400 -0.097 0.000 2.057 124 K HA -0.167 4.154 4.320 0.001 0.000 0.207 124 K C 2.109 178.684 176.600 -0.042 0.000 1.049 124 K CA 1.219 57.481 56.287 -0.041 0.000 0.931 124 K CB -0.147 32.350 32.500 -0.006 0.000 0.714 124 K HN 0.212 nan 8.250 nan 0.000 0.440 125 K N 0.526 120.900 120.400 -0.044 0.000 2.103 125 K HA -0.142 4.179 4.320 0.001 0.000 0.207 125 K C 1.827 178.397 176.600 -0.051 0.000 1.048 125 K CA 1.440 57.705 56.287 -0.038 0.000 0.930 125 K CB -0.042 32.440 32.500 -0.030 0.000 0.716 125 K HN 0.142 nan 8.250 nan 0.000 0.444 126 A N -0.352 122.424 122.820 -0.073 0.000 2.123 126 A HA 0.185 4.506 4.320 0.001 0.000 0.214 126 A C 1.335 178.851 177.584 -0.112 0.000 1.152 126 A CA 0.975 52.958 52.037 -0.090 0.000 0.728 126 A CB -0.090 18.848 19.000 -0.104 0.000 0.814 126 A HN 0.549 nan 8.150 nan 0.000 0.464 127 G N -1.704 107.033 108.800 -0.105 0.000 2.144 127 G HA2 -0.156 3.804 3.960 0.001 0.000 0.218 127 G HA3 -0.156 3.804 3.960 0.001 0.000 0.218 127 G C 0.055 174.869 174.900 -0.142 0.000 0.988 127 G CA 0.005 45.040 45.100 -0.108 0.000 0.659 127 G HN 0.714 nan 8.290 nan 0.000 0.522 128 V N 3.298 123.122 119.914 -0.150 0.000 2.455 128 V HA 0.422 4.542 4.120 0.001 0.000 0.273 128 V C -1.108 174.992 176.094 0.009 0.000 1.045 128 V CA -1.165 61.064 62.300 -0.119 0.000 0.976 128 V CB 1.316 33.018 31.823 -0.202 0.000 0.993 128 V HN 0.276 nan 8.190 nan 0.000 0.475 129 P HA 0.286 nan 4.420 nan 0.000 0.275 129 P C -0.658 176.842 177.300 0.333 0.000 1.227 129 P CA -0.152 63.063 63.100 0.191 0.000 0.781 129 P CB 1.000 32.812 31.700 0.187 0.000 0.906 130 C N 1.349 120.838 119.300 0.317 0.000 2.967 130 C HA 0.420 4.880 4.460 0.001 0.000 0.372 130 C C 0.313 175.548 174.990 0.409 0.000 1.455 130 C CA -0.686 58.565 59.018 0.388 0.000 1.638 130 C CB 1.657 29.565 27.740 0.281 0.000 2.096 130 C HN 0.340 nan 8.230 nan 0.000 0.466 131 V N 3.290 123.392 119.914 0.314 0.000 2.446 131 V HA 0.159 4.279 4.120 0.001 0.000 0.276 131 V C -2.014 174.162 176.094 0.136 0.000 1.030 131 V CA -0.338 62.058 62.300 0.160 0.000 1.033 131 V CB -0.278 31.595 31.823 0.085 0.000 0.993 131 V HN 0.723 nan 8.190 nan 0.000 0.477 132 P HA 0.433 nan 4.420 nan 0.000 0.271 132 P C 0.320 177.660 177.300 0.067 0.000 1.216 132 P CA 0.295 63.452 63.100 0.095 0.000 0.771 132 P CB 1.194 32.945 31.700 0.085 0.000 0.864 133 G N 0.251 109.103 108.800 0.085 0.000 3.107 133 G HA2 0.371 4.331 3.960 0.001 0.000 0.233 133 G HA3 0.371 4.331 3.960 0.001 0.000 0.233 133 G C 0.574 175.526 174.900 0.086 0.000 1.168 133 G CA -0.128 45.030 45.100 0.096 0.000 0.801 133 G HN 0.350 nan 8.290 nan 0.000 0.605 134 S N -0.508 115.264 115.700 0.119 0.000 2.458 134 S HA 0.139 4.610 4.470 0.001 0.000 0.223 134 S C 0.132 174.782 174.600 0.085 0.000 1.019 134 S CA 0.994 59.250 58.200 0.094 0.000 0.937 134 S CB 0.031 63.297 63.200 0.110 0.000 0.788 134 S HN 0.582 nan 8.310 nan 0.000 0.511 135 D N 2.042 122.500 120.400 0.097 0.000 2.990 135 D HA -0.004 4.637 4.640 0.001 0.000 0.245 135 D C 0.565 176.886 176.300 0.036 0.000 1.120 135 D CA 1.273 55.306 54.000 0.054 0.000 0.838 135 D CB -1.606 39.221 40.800 0.044 0.000 1.000 135 D HN 0.859 nan 8.370 nan 0.000 0.420 136 G N -0.410 108.408 108.800 0.029 0.000 2.297 136 G HA2 0.084 4.045 3.960 0.001 0.000 0.209 136 G HA3 0.084 4.045 3.960 0.001 0.000 0.209 136 G C -3.029 171.909 174.900 0.063 0.000 1.267 136 G CA -0.297 44.815 45.100 0.020 0.000 1.127 136 G HN 0.293 nan 8.290 nan 0.000 0.498 137 P HA 0.763 nan 4.420 nan 0.000 0.289 137 P C -0.284 177.053 177.300 0.062 0.000 1.300 137 P CA -0.742 62.402 63.100 0.074 0.000 0.828 137 P CB 1.146 32.876 31.700 0.050 0.000 1.235 138 L N -1.131 120.126 121.223 0.056 0.000 2.347 138 L HA 0.841 5.182 4.340 0.001 0.000 0.268 138 L C 0.834 177.722 176.870 0.030 0.000 1.019 138 L CA -0.720 54.145 54.840 0.041 0.000 0.806 138 L CB 1.335 43.416 42.059 0.037 0.000 1.339 138 L HN 0.492 nan 8.230 nan 0.000 0.463 139 G N -1.221 107.593 108.800 0.025 0.000 2.620 139 G HA2 0.336 4.296 3.960 0.001 0.000 0.301 139 G HA3 0.336 4.296 3.960 0.001 0.000 0.301 139 G C -0.630 174.280 174.900 0.018 0.000 1.347 139 G CA -0.300 44.812 45.100 0.020 0.000 0.971 139 G HN 0.590 nan 8.290 nan 0.000 0.488 140 D N 0.127 120.536 120.400 0.015 0.000 2.154 140 D HA -0.133 4.508 4.640 0.001 0.000 0.190 140 D C 0.999 177.308 176.300 0.015 0.000 1.003 140 D CA 1.081 55.089 54.000 0.014 0.000 0.849 140 D CB 0.017 40.824 40.800 0.012 0.000 0.942 140 D HN 0.452 nan 8.370 nan 0.000 0.446 141 D N 0.244 120.653 120.400 0.014 0.000 2.772 141 D HA -0.128 4.512 4.640 0.001 0.000 0.227 141 D C 1.197 177.507 176.300 0.017 0.000 1.114 141 D CA 0.111 54.120 54.000 0.014 0.000 0.832 141 D CB 0.592 41.400 40.800 0.013 0.000 1.154 141 D HN -0.010 nan 8.370 nan 0.000 0.514 142 M N 2.490 122.101 119.600 0.017 0.000 2.254 142 M HA -0.115 4.365 4.480 0.001 0.000 0.265 142 M C 1.198 177.512 176.300 0.022 0.000 1.066 142 M CA 1.081 56.394 55.300 0.022 0.000 1.123 142 M CB -0.650 31.963 32.600 0.022 0.000 1.388 142 M HN 0.259 nan 8.290 nan 0.000 0.425 143 D N 0.960 121.371 120.400 0.018 0.000 2.392 143 D HA -0.114 4.526 4.640 0.001 0.000 0.228 143 D C 1.774 178.083 176.300 0.016 0.000 1.003 143 D CA 0.803 54.813 54.000 0.017 0.000 0.917 143 D CB -0.018 40.790 40.800 0.014 0.000 0.890 143 D HN 0.589 nan 8.370 nan 0.000 0.532 144 K N -0.889 119.521 120.400 0.016 0.000 2.344 144 K HA 0.161 4.481 4.320 0.001 0.000 0.200 144 K C 1.479 178.087 176.600 0.012 0.000 1.132 144 K CA -0.114 56.181 56.287 0.013 0.000 0.935 144 K CB 0.056 32.564 32.500 0.013 0.000 1.089 144 K HN -0.121 nan 8.250 nan 0.000 0.496 145 N N 1.130 119.840 118.700 0.017 0.000 2.244 145 N HA -0.036 4.704 4.740 0.001 0.000 0.183 145 N C 1.922 177.447 175.510 0.024 0.000 1.016 145 N CA 0.653 53.714 53.050 0.019 0.000 0.866 145 N CB 0.043 38.545 38.487 0.025 0.000 0.980 145 N HN 0.212 nan 8.380 nan 0.000 0.430 146 R N 0.832 121.353 120.500 0.035 0.000 2.081 146 R HA -0.036 4.304 4.340 0.001 0.000 0.235 146 R C 2.237 178.548 176.300 0.019 0.000 1.131 146 R CA 1.288 57.421 56.100 0.055 0.000 0.960 146 R CB -0.161 30.176 30.300 0.061 0.000 0.856 146 R HN 0.164 nan 8.270 nan 0.000 0.436 147 A N 0.696 123.520 122.820 0.006 0.000 1.929 147 A HA -0.081 4.239 4.320 0.001 0.000 0.216 147 A C 2.076 179.639 177.584 -0.035 0.000 1.176 147 A CA 0.931 52.962 52.037 -0.010 0.000 0.628 147 A CB -0.307 18.693 19.000 0.000 0.000 0.816 147 A HN 0.187 nan 8.150 nan 0.000 0.444 148 I N -0.259 120.294 120.570 -0.028 0.000 2.202 148 I HA -0.257 3.914 4.170 0.001 0.000 0.242 148 I C 2.964 179.031 176.117 -0.085 0.000 1.091 148 I CA 1.004 62.282 61.300 -0.036 0.000 1.368 148 I CB -0.265 37.728 38.000 -0.012 0.000 1.058 148 I HN 0.352 nan 8.210 nan 0.000 0.410 149 A N 0.776 123.529 122.820 -0.110 0.000 1.940 149 A HA -0.283 4.037 4.320 0.001 0.000 0.219 149 A C 2.353 179.656 177.584 -0.469 0.000 1.176 149 A CA 2.141 54.028 52.037 -0.251 0.000 0.631 149 A CB -0.528 18.372 19.000 -0.167 0.000 0.814 149 A HN 0.412 nan 8.150 nan 0.000 0.446 150 K N -0.579 119.630 120.400 -0.318 0.000 2.001 150 K HA -0.120 4.200 4.320 0.001 0.000 0.208 150 K C 2.328 178.824 176.600 -0.173 0.000 1.048 150 K CA 1.264 57.389 56.287 -0.269 0.000 0.932 150 K CB -0.269 32.173 32.500 -0.097 0.000 0.715 150 K HN 0.358 nan 8.250 nan 0.000 0.437 151 R N 0.646 121.083 120.500 -0.106 0.000 2.091 151 R HA -0.117 4.224 4.340 0.001 0.000 0.238 151 R C 2.305 178.570 176.300 -0.058 0.000 1.136 151 R CA 1.839 57.905 56.100 -0.058 0.000 0.959 151 R CB -0.307 29.975 30.300 -0.030 0.000 0.856 151 R HN 0.314 nan 8.270 nan 0.000 0.437 152 I N -0.269 120.250 120.570 -0.085 0.000 2.142 152 I HA -0.112 4.059 4.170 0.001 0.000 0.240 152 I C 0.992 177.044 176.117 -0.108 0.000 1.078 152 I CA 1.238 62.491 61.300 -0.078 0.000 1.343 152 I CB -0.404 37.544 38.000 -0.088 0.000 1.046 152 I HN 0.502 nan 8.210 nan 0.000 0.405 153 G N -0.247 108.421 108.800 -0.220 0.000 2.895 153 G HA2 -0.198 3.763 3.960 0.001 0.000 0.686 153 G HA3 -0.198 3.763 3.960 0.001 0.000 0.686 153 G C -0.766 174.004 174.900 -0.216 0.000 1.108 153 G CA -0.939 44.022 45.100 -0.232 0.000 0.761 153 G HN 0.113 nan 8.290 nan 0.000 0.611 154 Y N 2.122 122.428 120.300 0.010 0.000 2.397 154 Y HA 0.498 5.049 4.550 0.001 0.000 0.335 154 Y C -0.513 175.394 175.900 0.012 0.000 1.213 154 Y CA -0.826 57.283 58.100 0.014 0.000 1.391 154 Y CB 0.297 38.765 38.460 0.013 0.000 1.293 154 Y HN 0.588 nan 8.280 nan 0.000 0.557 155 P HA 0.472 nan 4.420 nan 0.000 0.280 155 P C -1.273 176.131 177.300 0.175 0.000 1.272 155 P CA -0.553 62.679 63.100 0.221 0.000 0.819 155 P CB 1.743 33.568 31.700 0.209 0.000 1.122 156 V N -1.665 118.354 119.914 0.175 0.000 2.888 156 V HA 0.684 4.805 4.120 0.001 0.000 0.309 156 V C -0.111 176.012 176.094 0.049 0.000 1.114 156 V CA -1.093 61.270 62.300 0.105 0.000 0.940 156 V CB 1.363 33.212 31.823 0.043 0.000 1.021 156 V HN 0.586 nan 8.190 nan 0.000 0.426 157 I N 0.963 121.529 120.570 -0.006 0.000 2.947 157 I HA 0.770 4.940 4.170 0.001 0.000 0.314 157 I C -0.618 175.412 176.117 -0.146 0.000 1.028 157 I CA -1.084 60.135 61.300 -0.135 0.000 1.077 157 I CB 1.946 39.805 38.000 -0.236 0.000 1.274 157 I HN 0.570 nan 8.210 nan 0.000 0.485 158 I N 2.490 122.951 120.570 -0.181 0.000 2.439 158 I HA 0.417 4.587 4.170 0.001 0.000 0.283 158 I C -0.306 175.653 176.117 -0.264 0.000 1.023 158 I CA -0.454 60.717 61.300 -0.216 0.000 1.100 158 I CB 1.427 39.347 38.000 -0.134 0.000 1.238 158 I HN 0.618 nan 8.210 nan 0.000 0.445 159 K N 4.030 124.150 120.400 -0.467 0.000 2.245 159 K HA 0.946 5.266 4.320 0.001 0.000 0.234 159 K C -0.573 175.841 176.600 -0.310 0.000 1.021 159 K CA -0.789 55.255 56.287 -0.405 0.000 0.898 159 K CB 2.267 34.491 32.500 -0.460 0.000 1.163 159 K HN 0.635 nan 8.250 nan 0.000 0.459 160 A N 0.264 123.123 122.820 0.065 0.000 2.593 160 A HA 0.545 4.866 4.320 0.001 0.000 0.290 160 A C -0.623 177.118 177.584 0.261 0.000 1.126 160 A CA -0.749 51.423 52.037 0.226 0.000 0.695 160 A CB 0.950 20.002 19.000 0.087 0.000 1.290 160 A HN 0.617 nan 8.150 nan 0.000 0.414 171 V N 1.185 121.040 119.914 -0.098 0.000 2.888 171 V HA 0.547 4.667 4.120 0.001 0.000 0.309 171 V C -0.595 175.499 176.094 0.000 0.000 1.114 171 V CA -0.855 61.410 62.300 -0.058 0.000 0.940 171 V CB 1.944 33.745 31.823 -0.037 0.000 1.021 171 V HN 0.446 nan 8.190 nan 0.000 0.426 172 V N 3.612 123.555 119.914 0.047 0.000 2.732 172 V HA 0.624 4.744 4.120 0.001 0.000 0.310 172 V C 0.261 176.390 176.094 0.058 0.000 1.053 172 V CA -0.693 61.639 62.300 0.053 0.000 0.957 172 V CB 1.903 33.793 31.823 0.111 0.000 1.018 172 V HN 0.931 nan 8.190 nan 0.000 0.452 173 R N 1.459 121.905 120.500 -0.089 0.000 2.569 173 R HA 0.544 4.884 4.340 0.001 0.000 0.429 173 R C 0.136 176.160 176.300 -0.461 0.000 0.994 173 R CA 0.122 56.116 56.100 -0.176 0.000 1.089 173 R CB 1.346 31.606 30.300 -0.067 0.000 1.420 173 R HN 1.050 nan 8.270 nan 0.000 0.615 174 G N -0.168 108.094 108.800 -0.896 0.000 2.356 174 G HA2 -0.089 3.871 3.960 0.001 0.000 0.288 174 G HA3 -0.089 3.871 3.960 0.001 0.000 0.288 174 G C -0.822 173.750 174.900 -0.546 0.000 1.302 174 G CA -0.641 43.945 45.100 -0.855 0.000 0.887 174 G HN -0.043 nan 8.290 nan 0.000 0.521 175 D N -0.054 120.186 120.400 -0.266 0.000 2.110 175 D HA 0.084 4.724 4.640 0.001 0.000 0.202 175 D C 2.842 179.100 176.300 -0.071 0.000 0.975 175 D CA 1.826 55.772 54.000 -0.090 0.000 0.839 175 D CB -0.602 40.180 40.800 -0.030 0.000 0.996 175 D HN 0.663 nan 8.370 nan 0.000 0.464 176 A N 1.502 124.274 122.820 -0.080 0.000 1.927 176 A HA -0.203 4.118 4.320 0.001 0.000 0.220 176 A C 1.654 179.211 177.584 -0.045 0.000 1.185 176 A CA 2.098 54.103 52.037 -0.053 0.000 0.639 176 A CB -0.381 18.587 19.000 -0.054 0.000 0.820 176 A HN 0.356 nan 8.150 nan 0.000 0.451 177 E N -0.520 119.645 120.200 -0.058 0.000 2.685 177 E HA 0.165 4.516 4.350 0.001 0.000 0.208 177 E C 1.045 177.626 176.600 -0.031 0.000 0.996 177 E CA -0.230 56.146 56.400 -0.041 0.000 1.054 177 E CB -0.338 29.337 29.700 -0.042 0.000 1.075 177 E HN 0.362 nan 8.360 nan 0.000 0.460 178 L N 1.533 122.741 121.223 -0.025 0.000 2.005 178 L HA 0.048 4.389 4.340 0.001 0.000 0.207 178 L C 2.255 179.138 176.870 0.021 0.000 1.072 178 L CA 2.359 57.208 54.840 0.016 0.000 0.744 178 L CB -0.744 41.348 42.059 0.055 0.000 0.895 178 L HN 0.184 nan 8.230 nan 0.000 0.433 179 A N -0.824 122.004 122.820 0.013 0.000 1.828 179 A HA -0.213 4.107 4.320 0.001 0.000 0.215 179 A C 1.752 179.338 177.584 0.004 0.000 1.203 179 A CA 1.494 53.538 52.037 0.012 0.000 0.614 179 A CB -0.811 18.195 19.000 0.009 0.000 0.844 179 A HN 0.632 nan 8.150 nan 0.000 0.445 180 Q N 0.117 119.916 119.800 -0.002 0.000 2.600 180 Q HA 0.253 4.594 4.340 0.001 0.000 0.276 180 Q C 0.178 176.173 176.000 -0.009 0.000 1.006 180 Q CA 0.191 55.991 55.803 -0.005 0.000 0.942 180 Q CB 0.074 28.808 28.738 -0.007 0.000 1.383 180 Q HN 0.557 nan 8.270 nan 0.000 0.414 181 S N -1.101 114.595 115.700 -0.007 0.000 3.265 181 S HA 0.135 4.605 4.470 0.001 0.000 0.259 181 S C 1.454 176.046 174.600 -0.012 0.000 1.089 181 S CA -0.278 57.915 58.200 -0.012 0.000 0.811 181 S CB 0.267 63.461 63.200 -0.011 0.000 0.858 181 S HN 0.302 nan 8.310 nan 0.000 0.452 182 I N 2.060 122.627 120.570 -0.004 0.000 2.252 182 I HA -0.108 4.062 4.170 0.001 0.000 0.245 182 I C 2.089 178.202 176.117 -0.007 0.000 1.102 182 I CA 1.061 62.357 61.300 -0.006 0.000 1.385 182 I CB -0.261 37.742 38.000 0.004 0.000 1.064 182 I HN 0.183 nan 8.210 nan 0.000 0.414 183 S N 0.238 115.936 115.700 -0.003 0.000 2.419 183 S HA -0.150 4.321 4.470 0.001 0.000 0.233 183 S C 1.851 176.447 174.600 -0.006 0.000 1.016 183 S CA 1.228 59.427 58.200 -0.002 0.000 0.974 183 S CB -0.259 62.941 63.200 -0.000 0.000 0.786 183 S HN 0.369 nan 8.310 nan 0.000 0.492 184 M N 0.973 120.567 119.600 -0.010 0.000 2.618 184 M HA 0.032 4.512 4.480 0.001 0.000 0.240 184 M C 0.860 177.150 176.300 -0.017 0.000 1.123 184 M CA 0.692 55.984 55.300 -0.013 0.000 1.060 184 M CB -0.110 32.480 32.600 -0.015 0.000 1.535 184 M HN 0.196 nan 8.290 nan 0.000 0.507 185 T N -1.979 112.564 114.554 -0.018 0.000 3.026 185 T HA 0.165 4.515 4.350 0.001 0.000 0.245 185 T C 1.681 176.372 174.700 -0.015 0.000 1.004 185 T CA -0.048 62.038 62.100 -0.023 0.000 1.069 185 T CB 0.111 68.957 68.868 -0.036 0.000 1.005 185 T HN 0.276 nan 8.240 nan 0.000 0.472 186 R N 1.497 121.992 120.500 -0.009 0.000 2.088 186 R HA 0.005 4.345 4.340 0.001 0.000 0.232 186 R C 2.726 179.027 176.300 0.000 0.000 1.136 186 R CA 1.660 57.760 56.100 -0.001 0.000 0.926 186 R CB -0.546 29.756 30.300 0.003 0.000 0.837 186 R HN 0.363 nan 8.270 nan 0.000 0.429 187 A N 0.418 123.237 122.820 -0.001 0.000 2.070 187 A HA -0.197 4.124 4.320 0.001 0.000 0.220 187 A C 1.877 179.459 177.584 -0.003 0.000 1.159 187 A CA 1.486 53.523 52.037 -0.001 0.000 0.656 187 A CB -0.335 18.664 19.000 -0.002 0.000 0.800 187 A HN 0.482 nan 8.150 nan 0.000 0.453 188 E N -1.307 118.889 120.200 -0.006 0.000 2.318 188 E HA 0.346 4.697 4.350 0.001 0.000 0.193 188 E C 0.534 177.131 176.600 -0.006 0.000 0.998 188 E CA 0.573 56.968 56.400 -0.008 0.000 0.859 188 E CB 0.099 29.790 29.700 -0.014 0.000 0.812 188 E HN 0.598 nan 8.360 nan 0.000 0.492 199 Y N 0.056 120.360 120.300 0.007 0.000 2.436 199 Y HA 0.817 5.367 4.550 0.001 0.000 0.327 199 Y C -0.768 175.138 175.900 0.010 0.000 1.138 199 Y CA -1.321 56.785 58.100 0.010 0.000 1.042 199 Y CB 1.516 39.984 38.460 0.014 0.000 1.302 199 Y HN 0.842 nan 8.280 nan 0.000 0.439 200 M N 3.186 122.780 119.600 -0.010 0.000 2.232 200 M HA 0.251 4.732 4.480 0.001 0.000 0.321 200 M C -0.518 175.743 176.300 -0.065 0.000 1.101 200 M CA 0.701 55.957 55.300 -0.072 0.000 1.181 200 M CB 1.193 33.789 32.600 -0.007 0.000 1.432 200 M HN 1.011 nan 8.290 nan 0.000 0.457 201 E N 0.942 121.093 120.200 -0.081 0.000 2.381 201 E HA 0.192 4.543 4.350 0.001 0.000 0.286 201 E C -1.514 175.080 176.600 -0.011 0.000 0.960 201 E CA -0.623 55.765 56.400 -0.020 0.000 0.793 201 E CB 2.152 31.832 29.700 -0.035 0.000 1.225 201 E HN 0.538 nan 8.360 nan 0.000 0.420 202 K N 2.685 123.077 120.400 -0.013 0.000 2.448 202 K HA 0.029 4.350 4.320 0.001 0.000 0.278 202 K C -1.178 175.436 176.600 0.024 0.000 1.009 202 K CA -0.092 56.176 56.287 -0.032 0.000 0.995 202 K CB 0.399 32.825 32.500 -0.124 0.000 0.917 202 K HN 0.356 nan 8.250 nan 0.000 0.481 203 Y N 5.413 125.661 120.300 -0.087 0.000 2.326 203 Y HA 0.287 4.838 4.550 0.001 0.000 0.337 203 Y C -1.055 174.804 175.900 -0.068 0.000 1.023 203 Y CA -1.017 57.046 58.100 -0.063 0.000 1.143 203 Y CB 0.667 39.110 38.460 -0.028 0.000 1.183 203 Y HN 0.460 nan 8.280 nan 0.000 0.485 204 L N 7.328 128.241 121.223 -0.516 0.000 2.297 204 L HA 0.319 4.660 4.340 0.001 0.000 0.277 204 L C 1.144 177.625 176.870 -0.648 0.000 1.040 204 L CA -0.096 54.463 54.840 -0.468 0.000 0.867 204 L CB 0.927 42.824 42.059 -0.270 0.000 1.244 204 L HN 0.737 nan 8.230 nan 0.000 0.433 205 E N 1.784 121.610 120.200 -0.623 0.000 2.028 205 E HA -0.071 4.279 4.350 0.001 0.000 0.190 205 E C 0.144 176.702 176.600 -0.071 0.000 0.984 205 E CA 1.116 57.245 56.400 -0.452 0.000 0.800 205 E CB 0.284 29.844 29.700 -0.233 0.000 0.758 205 E HN 0.633 nan 8.360 nan 0.000 0.448 206 N N 1.012 119.669 118.700 -0.071 0.000 2.757 206 N HA 0.160 4.901 4.740 0.001 0.000 0.296 206 N C -2.626 172.847 175.510 -0.061 0.000 1.874 206 N CA -0.792 52.252 53.050 -0.009 0.000 0.885 206 N CB 1.516 40.018 38.487 0.024 0.000 1.242 206 N HN 0.108 nan 8.380 nan 0.000 0.488 207 P HA 0.388 nan 4.420 nan 0.000 0.283 207 P C -0.607 176.680 177.300 -0.021 0.000 1.278 207 P CA -0.510 62.558 63.100 -0.054 0.000 0.834 207 P CB 1.781 33.467 31.700 -0.023 0.000 1.150 208 R N -0.986 119.551 120.500 0.062 0.000 2.758 208 R HA 0.436 4.777 4.340 0.001 0.000 0.265 208 R C -0.071 176.338 176.300 0.181 0.000 1.016 208 R CA -0.683 55.492 56.100 0.125 0.000 1.040 208 R CB 0.642 31.050 30.300 0.180 0.000 1.152 208 R HN 0.602 nan 8.270 nan 0.000 0.503 209 H N 0.833 119.963 119.070 0.100 0.000 2.690 209 H HA 0.365 4.922 4.556 0.001 0.000 0.289 209 H C -1.232 174.188 175.328 0.153 0.000 1.089 209 H CA -0.472 55.650 56.048 0.123 0.000 1.299 209 H CB 0.559 30.366 29.762 0.075 0.000 1.405 209 H HN 0.109 nan 8.280 nan 0.000 0.463 210 V N 6.359 126.363 119.914 0.151 0.000 2.540 210 V HA 0.273 4.394 4.120 0.001 0.000 0.302 210 V C -0.488 175.793 176.094 0.311 0.000 1.035 210 V CA -0.778 61.663 62.300 0.236 0.000 0.873 210 V CB 1.535 33.457 31.823 0.165 0.000 0.992 210 V HN 0.904 nan 8.190 nan 0.000 0.428 211 E N 4.269 124.654 120.200 0.309 0.000 2.317 211 E HA 0.740 5.091 4.350 0.001 0.000 0.270 211 E C -1.778 174.998 176.600 0.293 0.000 0.885 211 E CA -1.007 55.595 56.400 0.337 0.000 0.760 211 E CB 2.731 32.592 29.700 0.269 0.000 1.227 211 E HN 0.376 nan 8.360 nan 0.000 0.434 212 I N 2.171 122.955 120.570 0.355 0.000 2.354 212 I HA 0.124 4.295 4.170 0.001 0.000 0.292 212 I C -0.228 176.051 176.117 0.270 0.000 0.989 212 I CA -0.475 60.984 61.300 0.265 0.000 1.188 212 I CB 1.664 39.788 38.000 0.207 0.000 1.342 212 I HN 0.552 nan 8.210 nan 0.000 0.457 213 Q N 6.371 126.294 119.800 0.206 0.000 2.288 213 Q HA 0.647 4.988 4.340 0.001 0.000 0.254 213 Q C -1.017 175.103 176.000 0.200 0.000 0.932 213 Q CA -0.328 55.580 55.803 0.176 0.000 0.902 213 Q CB 1.257 30.076 28.738 0.136 0.000 1.203 213 Q HN 0.529 nan 8.270 nan 0.000 0.415 214 V N 1.577 121.601 119.914 0.184 0.000 3.102 214 V HA 0.742 4.862 4.120 0.001 0.000 0.312 214 V C -1.047 175.140 176.094 0.155 0.000 1.135 214 V CA -1.068 61.345 62.300 0.190 0.000 1.022 214 V CB 1.993 33.967 31.823 0.252 0.000 1.056 214 V HN 0.776 nan 8.190 nan 0.000 0.436 215 L N 1.925 123.236 121.223 0.147 0.000 2.401 215 L HA 0.969 5.309 4.340 0.001 0.000 0.266 215 L C -0.222 176.740 176.870 0.154 0.000 0.991 215 L CA -0.616 54.307 54.840 0.139 0.000 0.818 215 L CB 2.137 44.242 42.059 0.078 0.000 1.321 215 L HN 1.136 nan 8.230 nan 0.000 0.413 216 A N 0.890 123.815 122.820 0.176 0.000 2.520 216 A HA 0.535 4.855 4.320 0.001 0.000 0.298 216 A C -0.587 177.044 177.584 0.079 0.000 1.051 216 A CA -0.571 51.557 52.037 0.152 0.000 0.690 216 A CB 1.376 20.529 19.000 0.255 0.000 1.281 216 A HN 0.806 nan 8.150 nan 0.000 0.402 217 D N 0.557 120.985 120.400 0.047 0.000 2.349 217 D HA 0.297 4.938 4.640 0.001 0.000 0.215 217 D C 1.195 177.493 176.300 -0.002 0.000 1.016 217 D CA 0.976 54.983 54.000 0.012 0.000 0.870 217 D CB 0.101 40.907 40.800 0.010 0.000 0.917 217 D HN 1.703 nan 8.370 nan 0.000 0.524 218 G N 0.260 109.067 108.800 0.010 0.000 2.162 218 G HA2 -0.363 3.598 3.960 0.001 0.000 0.260 218 G HA3 -0.363 3.598 3.960 0.001 0.000 0.260 218 G C 0.633 175.536 174.900 0.004 0.000 0.976 218 G CA 0.450 45.549 45.100 -0.002 0.000 0.655 218 G HN 0.481 nan 8.290 nan 0.000 0.533 219 Q N -1.164 118.642 119.800 0.010 0.000 2.135 219 Q HA 0.468 4.808 4.340 0.001 0.000 0.222 219 Q C 1.682 177.689 176.000 0.013 0.000 0.808 219 Q CA 0.489 56.296 55.803 0.007 0.000 1.049 219 Q CB 1.096 29.836 28.738 0.002 0.000 1.168 219 Q HN 1.326 nan 8.270 nan 0.000 0.483 220 G N 0.801 109.614 108.800 0.022 0.000 2.339 220 G HA2 -0.198 3.762 3.960 0.001 0.000 0.209 220 G HA3 -0.198 3.762 3.960 0.001 0.000 0.209 220 G C 0.055 174.972 174.900 0.028 0.000 1.015 220 G CA -0.564 44.550 45.100 0.023 0.000 0.635 220 G HN 0.288 nan 8.290 nan 0.000 0.499 221 N N 1.371 120.089 118.700 0.029 0.000 2.508 221 N HA 0.666 5.406 4.740 0.001 0.000 0.285 221 N C -0.111 175.430 175.510 0.052 0.000 1.144 221 N CA 0.717 53.786 53.050 0.031 0.000 0.978 221 N CB 1.863 40.362 38.487 0.020 0.000 1.180 221 N HN 1.204 nan 8.380 nan 0.000 0.484 222 A N 1.053 123.906 122.820 0.056 0.000 2.555 222 A HA 0.592 4.912 4.320 0.001 0.000 0.297 222 A C -0.775 176.856 177.584 0.078 0.000 1.060 222 A CA -0.791 51.296 52.037 0.084 0.000 0.710 222 A CB 0.914 19.980 19.000 0.109 0.000 1.282 222 A HN 0.686 nan 8.150 nan 0.000 0.399 223 I N -0.872 119.747 120.570 0.082 0.000 3.042 223 I HA 0.934 5.104 4.170 0.001 0.000 0.310 223 I C -0.907 175.283 176.117 0.121 0.000 1.117 223 I CA -1.285 60.047 61.300 0.054 0.000 1.003 223 I CB 2.194 40.160 38.000 -0.056 0.000 1.228 223 I HN 0.818 nan 8.210 nan 0.000 0.443 224 Y N 1.975 122.271 120.300 -0.007 0.000 2.509 224 Y HA 0.823 5.373 4.550 0.001 0.000 0.341 224 Y C -1.331 174.566 175.900 -0.004 0.000 1.038 224 Y CA -1.726 56.375 58.100 0.001 0.000 1.089 224 Y CB 1.431 39.871 38.460 -0.033 0.000 1.241 224 Y HN 0.451 nan 8.280 nan 0.000 0.468 225 L N 4.059 125.329 121.223 0.079 0.000 2.637 225 L HA 0.699 5.039 4.340 0.001 0.000 0.241 225 L C 0.495 177.411 176.870 0.076 0.000 1.398 225 L CA 0.363 55.205 54.840 0.003 0.000 0.895 225 L CB 0.080 42.152 42.059 0.022 0.000 1.183 225 L HN 1.163 nan 8.230 nan 0.000 0.497 226 A N 0.528 123.426 122.820 0.130 0.000 6.082 226 A HA -0.071 4.249 4.320 0.001 0.000 0.269 226 A C 0.285 177.941 177.584 0.119 0.000 2.078 226 A CA 1.202 53.317 52.037 0.129 0.000 0.711 226 A CB -0.645 18.389 19.000 0.056 0.000 1.114 226 A HN 0.623 nan 8.150 nan 0.000 0.371 227 E N 0.331 120.576 120.200 0.075 0.000 2.392 227 E HA 0.789 5.139 4.350 0.001 0.000 0.269 227 E C -0.749 175.893 176.600 0.070 0.000 0.924 227 E CA -0.881 55.569 56.400 0.084 0.000 0.784 227 E CB 1.253 30.992 29.700 0.064 0.000 1.292 227 E HN 0.788 nan 8.360 nan 0.000 0.447 228 R N 0.462 121.026 120.500 0.107 0.000 2.670 228 R HA 0.376 4.716 4.340 0.001 0.000 0.289 228 R C -0.873 175.510 176.300 0.140 0.000 0.965 228 R CA -0.854 55.305 56.100 0.098 0.000 0.899 228 R CB 1.563 31.925 30.300 0.103 0.000 1.173 228 R HN 0.518 nan 8.270 nan 0.000 0.456 229 D N 1.876 122.348 120.400 0.121 0.000 2.274 229 D HA 0.168 4.808 4.640 0.001 0.000 0.239 229 D C -0.481 175.905 176.300 0.144 0.000 1.104 229 D CA -0.314 53.778 54.000 0.153 0.000 0.840 229 D CB 1.166 42.043 40.800 0.130 0.000 1.100 229 D HN 0.560 nan 8.370 nan 0.000 0.477 230 C N 3.087 122.480 119.300 0.154 0.000 2.624 230 C HA 0.217 4.677 4.460 0.001 0.000 0.263 230 C C 1.852 176.823 174.990 -0.032 0.000 1.587 230 C CA -0.514 58.505 59.018 0.002 0.000 1.718 230 C CB -1.188 26.447 27.740 -0.176 0.000 3.050 230 C HN 0.523 nan 8.230 nan 0.000 0.517 231 S N 0.864 116.609 115.700 0.075 0.000 2.461 231 S HA 0.089 4.559 4.470 0.001 0.000 0.228 231 S C 1.052 175.676 174.600 0.041 0.000 1.005 231 S CA 0.842 59.088 58.200 0.076 0.000 0.942 231 S CB -0.099 63.166 63.200 0.109 0.000 0.776 231 S HN 0.597 nan 8.310 nan 0.000 0.514 232 M N 2.960 122.584 119.600 0.041 0.000 2.266 232 M HA 0.279 4.760 4.480 0.001 0.000 0.340 232 M C -0.221 176.060 176.300 -0.032 0.000 1.486 232 M CA 0.822 56.138 55.300 0.027 0.000 1.209 232 M CB -0.206 32.398 32.600 0.006 0.000 1.714 232 M HN 0.265 nan 8.290 nan 0.000 0.459 233 Q N 1.991 121.764 119.800 -0.044 0.000 2.456 233 Q HA 0.668 5.009 4.340 0.001 0.000 0.283 233 Q C -0.816 175.115 176.000 -0.116 0.000 1.084 233 Q CA -0.937 54.812 55.803 -0.088 0.000 0.801 233 Q CB 3.631 32.309 28.738 -0.100 0.000 1.434 233 Q HN 0.555 nan 8.270 nan 0.000 0.419 234 R N 0.948 121.360 120.500 -0.146 0.000 2.533 234 R HA 0.329 4.670 4.340 0.001 0.000 0.288 234 R C -0.920 175.283 176.300 -0.162 0.000 1.039 234 R CA -0.390 55.593 56.100 -0.195 0.000 0.909 234 R CB 0.977 31.095 30.300 -0.302 0.000 1.195 234 R HN 0.725 nan 8.270 nan 0.000 0.438 235 R N 4.363 124.777 120.500 -0.142 0.000 3.322 235 R HA -0.217 4.124 4.340 0.001 0.000 0.253 235 R C -0.469 175.900 176.300 0.115 0.000 0.987 235 R CA 1.228 57.326 56.100 -0.003 0.000 0.666 235 R CB -1.883 28.417 30.300 0.000 0.000 1.072 235 R HN 0.967 nan 8.270 nan 0.000 0.447 236 H N -3.378 115.672 119.070 -0.032 0.000 3.179 236 H HA -0.213 4.344 4.556 0.001 0.000 0.250 236 H C -0.072 175.223 175.328 -0.054 0.000 1.142 236 H CA 1.673 57.708 56.048 -0.023 0.000 1.165 236 H CB -0.808 28.953 29.762 -0.001 0.000 1.253 236 H HN 0.597 nan 8.280 nan 0.000 0.325 237 Q N 1.252 121.051 119.800 -0.002 0.000 2.256 237 Q HA 0.378 4.718 4.340 0.001 0.000 0.257 237 Q C 0.095 176.043 176.000 -0.088 0.000 0.936 237 Q CA -0.639 55.136 55.803 -0.048 0.000 0.903 237 Q CB 1.875 30.582 28.738 -0.051 0.000 1.263 237 Q HN 0.204 nan 8.270 nan 0.000 0.440 238 K N 0.937 121.272 120.400 -0.108 0.000 2.270 238 K HA 0.153 4.474 4.320 0.001 0.000 0.276 238 K C 0.226 176.772 176.600 -0.090 0.000 1.023 238 K CA -0.227 55.988 56.287 -0.121 0.000 0.955 238 K CB 1.133 33.538 32.500 -0.158 0.000 0.975 238 K HN 0.318 nan 8.250 nan 0.000 0.471 239 V N 1.604 121.473 119.914 -0.075 0.000 3.090 239 V HA 0.050 4.170 4.120 0.001 0.000 0.237 239 V C -0.005 176.061 176.094 -0.046 0.000 1.209 239 V CA 0.163 62.431 62.300 -0.053 0.000 1.209 239 V CB 1.188 32.981 31.823 -0.050 0.000 0.971 239 V HN 0.444 nan 8.190 nan 0.000 0.477 240 V N 0.990 120.874 119.914 -0.050 0.000 2.680 240 V HA 0.621 4.741 4.120 0.001 0.000 0.309 240 V C -1.049 175.046 176.094 0.001 0.000 1.052 240 V CA -0.553 61.727 62.300 -0.034 0.000 0.908 240 V CB 2.047 33.816 31.823 -0.090 0.000 1.001 240 V HN 0.453 nan 8.190 nan 0.000 0.431 241 E N 2.263 122.479 120.200 0.027 0.000 2.343 241 E HA 0.745 5.095 4.350 0.001 0.000 0.270 241 E C -1.076 175.583 176.600 0.098 0.000 0.895 241 E CA -0.842 55.588 56.400 0.050 0.000 0.767 241 E CB 2.508 32.215 29.700 0.011 0.000 1.248 241 E HN 0.867 nan 8.360 nan 0.000 0.440 242 E N 0.006 120.272 120.200 0.111 0.000 2.413 242 E HA 0.845 5.196 4.350 0.001 0.000 0.277 242 E C -1.606 175.004 176.600 0.016 0.000 0.958 242 E CA -1.452 55.017 56.400 0.115 0.000 0.779 242 E CB 1.835 31.686 29.700 0.251 0.000 1.278 242 E HN 0.451 nan 8.360 nan 0.000 0.456 243 A N 2.039 124.781 122.820 -0.130 0.000 2.486 243 A HA 0.708 5.028 4.320 0.001 0.000 0.300 243 A C -2.759 174.459 177.584 -0.610 0.000 1.048 243 A CA -1.619 50.284 52.037 -0.224 0.000 0.696 243 A CB 1.515 20.465 19.000 -0.082 0.000 1.278 243 A HN 0.525 nan 8.150 nan 0.000 0.405 244 P HA 0.373 nan 4.420 nan 0.000 0.275 244 P C -0.031 177.199 177.300 -0.116 0.000 1.270 244 P CA -0.072 62.915 63.100 -0.188 0.000 0.791 244 P CB 0.581 32.227 31.700 -0.090 0.000 1.089 245 A N 0.630 123.438 122.820 -0.020 0.000 2.409 245 A HA 0.455 4.775 4.320 0.001 0.000 0.262 245 A C -2.137 175.467 177.584 0.034 0.000 1.113 245 A CA -1.396 50.654 52.037 0.022 0.000 0.790 245 A CB -1.357 17.641 19.000 -0.004 0.000 1.046 245 A HN 0.359 nan 8.150 nan 0.000 0.496 246 P HA 0.226 nan 4.420 nan 0.000 0.267 246 P C 1.116 178.419 177.300 0.006 0.000 1.200 246 P CA 1.758 64.875 63.100 0.030 0.000 0.772 246 P CB 0.596 32.283 31.700 -0.022 0.000 0.855 247 G N 1.934 110.731 108.800 -0.004 0.000 2.189 247 G HA2 -0.222 3.739 3.960 0.001 0.000 0.267 247 G HA3 -0.222 3.739 3.960 0.001 0.000 0.267 247 G C 0.143 175.055 174.900 0.020 0.000 0.975 247 G CA -0.392 44.716 45.100 0.013 0.000 0.644 247 G HN 0.471 nan 8.290 nan 0.000 0.537 248 I N 2.492 123.052 120.570 -0.016 0.000 2.315 248 I HA 0.319 4.489 4.170 0.001 0.000 0.291 248 I C 1.309 177.423 176.117 -0.005 0.000 1.006 248 I CA 0.189 61.462 61.300 -0.045 0.000 1.265 248 I CB 0.669 38.611 38.000 -0.097 0.000 1.387 248 I HN 0.307 nan 8.210 nan 0.000 0.475 249 T N 4.301 118.861 114.554 0.010 0.000 2.874 249 T HA 0.353 4.703 4.350 0.001 0.000 0.281 249 T C -1.802 172.911 174.700 0.022 0.000 0.994 249 T CA -1.604 60.507 62.100 0.017 0.000 1.015 249 T CB 1.526 70.405 68.868 0.019 0.000 1.028 249 T HN 0.286 nan 8.240 nan 0.000 0.523 250 P HA -0.069 nan 4.420 nan 0.000 0.216 250 P C 1.382 178.707 177.300 0.040 0.000 1.150 250 P CA 0.940 64.063 63.100 0.039 0.000 0.837 250 P CB 0.100 31.824 31.700 0.040 0.000 0.786 251 E N -0.723 119.496 120.200 0.032 0.000 2.150 251 E HA -0.140 4.210 4.350 0.001 0.000 0.193 251 E C 1.714 178.338 176.600 0.040 0.000 0.985 251 E CA 0.693 57.114 56.400 0.034 0.000 0.814 251 E CB -0.978 28.734 29.700 0.021 0.000 0.752 251 E HN 0.034 nan 8.360 nan 0.000 0.466 252 L N 0.420 121.662 121.223 0.032 0.000 2.162 252 L HA 0.126 4.467 4.340 0.001 0.000 0.205 252 L C 2.346 179.226 176.870 0.016 0.000 1.086 252 L CA 1.549 56.419 54.840 0.049 0.000 0.778 252 L CB -0.518 41.583 42.059 0.070 0.000 0.928 252 L HN 0.058 nan 8.230 nan 0.000 0.446 253 R N -0.376 120.120 120.500 -0.007 0.000 2.083 253 R HA -0.235 4.105 4.340 0.001 0.000 0.237 253 R C 2.538 178.772 176.300 -0.110 0.000 1.137 253 R CA 1.982 58.053 56.100 -0.050 0.000 0.951 253 R CB -0.357 29.964 30.300 0.036 0.000 0.851 253 R HN 0.331 nan 8.270 nan 0.000 0.434 254 R N -0.717 119.772 120.500 -0.018 0.000 2.096 254 R HA -0.215 4.126 4.340 0.001 0.000 0.235 254 R C 2.209 178.410 176.300 -0.166 0.000 1.127 254 R CA 1.831 57.913 56.100 -0.032 0.000 0.968 254 R CB -0.477 29.855 30.300 0.053 0.000 0.861 254 R HN 0.404 nan 8.270 nan 0.000 0.440 255 Y N 0.515 120.677 120.300 -0.230 0.000 2.109 255 Y HA -0.214 4.337 4.550 0.001 0.000 0.285 255 Y C 1.979 177.635 175.900 -0.406 0.000 1.131 255 Y CA 1.800 59.749 58.100 -0.251 0.000 1.121 255 Y CB -0.357 38.002 38.460 -0.169 0.000 0.987 255 Y HN 0.086 nan 8.280 nan 0.000 0.495 256 I N 0.945 121.243 120.570 -0.454 0.000 2.439 256 I HA -0.038 4.133 4.170 0.001 0.000 0.251 256 I C 2.379 178.007 176.117 -0.814 0.000 1.139 256 I CA 1.627 62.434 61.300 -0.822 0.000 1.438 256 I CB -0.986 36.185 38.000 -1.381 0.000 1.085 256 I HN 0.376 nan 8.210 nan 0.000 0.427 257 G N -0.365 107.902 108.800 -0.887 0.000 2.421 257 G HA2 -0.232 3.729 3.960 0.001 0.000 0.216 257 G HA3 -0.232 3.729 3.960 0.001 0.000 0.216 257 G C 1.572 175.714 174.900 -1.263 0.000 1.171 257 G CA 0.728 44.951 45.100 -1.463 0.000 0.775 257 G HN 0.459 nan 8.290 nan 0.000 0.543 258 E N -0.037 119.620 120.200 -0.904 0.000 2.077 258 E HA -0.119 4.231 4.350 0.001 0.000 0.193 258 E C 2.802 179.158 176.600 -0.406 0.000 0.989 258 E CA 0.650 56.780 56.400 -0.451 0.000 0.800 258 E CB -0.037 29.490 29.700 -0.288 0.000 0.746 258 E HN 0.118 nan 8.360 nan 0.000 0.452 259 R N 0.189 120.376 120.500 -0.522 0.000 2.081 259 R HA -0.108 4.232 4.340 0.001 0.000 0.235 259 R C 2.312 178.330 176.300 -0.470 0.000 1.131 259 R CA 1.220 57.036 56.100 -0.474 0.000 0.960 259 R CB -0.884 29.080 30.300 -0.559 0.000 0.856 259 R HN 0.251 nan 8.270 nan 0.000 0.436 260 C N -0.704 118.256 119.300 -0.567 0.000 2.446 260 C HA 0.003 4.463 4.460 0.001 0.000 0.277 260 C C 2.741 177.475 174.990 -0.428 0.000 1.275 260 C CA 0.634 59.194 59.018 -0.764 0.000 1.727 260 C CB -1.112 26.216 27.740 -0.686 0.000 2.010 260 C HN 0.601 nan 8.230 nan 0.000 0.486 261 A N 0.400 123.089 122.820 -0.218 0.000 1.902 261 A HA -0.243 4.078 4.320 0.001 0.000 0.217 261 A C 2.224 179.774 177.584 -0.057 0.000 1.181 261 A CA 2.061 54.074 52.037 -0.040 0.000 0.623 261 A CB -0.597 18.438 19.000 0.057 0.000 0.818 261 A HN 0.687 nan 8.150 nan 0.000 0.443 262 K N -0.354 119.973 120.400 -0.123 0.000 2.057 262 K HA -0.092 4.229 4.320 0.001 0.000 0.207 262 K C 2.162 178.710 176.600 -0.085 0.000 1.049 262 K CA 1.168 57.396 56.287 -0.098 0.000 0.931 262 K CB -0.330 32.090 32.500 -0.133 0.000 0.714 262 K HN 0.372 nan 8.250 nan 0.000 0.440 263 A N 0.906 123.637 122.820 -0.149 0.000 1.908 263 A HA -0.201 4.119 4.320 0.001 0.000 0.218 263 A C 2.434 180.044 177.584 0.044 0.000 1.181 263 A CA 1.765 53.742 52.037 -0.100 0.000 0.627 263 A CB -1.077 17.774 19.000 -0.248 0.000 0.818 263 A HN 0.568 nan 8.150 nan 0.000 0.445 264 C N -1.273 118.079 119.300 0.086 0.000 2.413 264 C HA -0.092 4.369 4.460 0.001 0.000 0.276 264 C C 2.755 177.834 174.990 0.148 0.000 1.236 264 C CA 1.171 60.301 59.018 0.188 0.000 1.735 264 C CB -1.322 26.541 27.740 0.204 0.000 2.031 264 C HN 0.477 nan 8.230 nan 0.000 0.474 265 V N 1.127 121.089 119.914 0.080 0.000 2.295 265 V HA -0.202 3.919 4.120 0.001 0.000 0.246 265 V C 2.035 178.158 176.094 0.047 0.000 1.049 265 V CA 2.373 64.707 62.300 0.057 0.000 1.024 265 V CB -0.800 31.038 31.823 0.026 0.000 0.648 265 V HN 0.437 nan 8.190 nan 0.000 0.447 266 D N 0.397 120.815 120.400 0.029 0.000 2.149 266 D HA -0.136 4.505 4.640 0.001 0.000 0.198 266 D C 1.823 178.147 176.300 0.039 0.000 0.990 266 D CA 1.759 55.770 54.000 0.018 0.000 0.839 266 D CB -0.220 40.576 40.800 -0.007 0.000 0.948 266 D HN 0.671 nan 8.370 nan 0.000 0.460 267 I N -3.991 116.622 120.570 0.073 0.000 3.793 267 I HA 0.317 4.487 4.170 0.001 0.000 0.315 267 I C 1.012 177.194 176.117 0.109 0.000 1.275 267 I CA 0.335 61.690 61.300 0.092 0.000 1.214 267 I CB -0.104 37.970 38.000 0.123 0.000 1.018 267 I HN 0.001 nan 8.210 nan 0.000 0.439 268 G N 1.842 110.705 108.800 0.105 0.000 2.295 268 G HA2 -0.356 3.605 3.960 0.001 0.000 0.287 268 G HA3 -0.356 3.605 3.960 0.001 0.000 0.287 268 G C -0.044 174.922 174.900 0.111 0.000 1.055 268 G CA 0.290 45.442 45.100 0.087 0.000 0.922 268 G HN 0.686 nan 8.290 nan 0.000 0.503 269 Y N 0.122 120.450 120.300 0.048 0.000 2.457 269 Y HA 0.450 5.001 4.550 0.001 0.000 0.341 269 Y C 1.012 176.936 175.900 0.040 0.000 1.240 269 Y CA 0.167 58.298 58.100 0.051 0.000 1.437 269 Y CB 0.558 39.064 38.460 0.077 0.000 1.328 269 Y HN 0.357 nan 8.280 nan 0.000 0.588 270 R N 3.576 123.669 120.500 -0.678 0.000 2.502 270 R HA 0.503 4.844 4.340 0.001 0.000 0.298 270 R C -0.432 175.586 176.300 -0.469 0.000 1.018 270 R CA 0.329 56.203 56.100 -0.377 0.000 0.899 270 R CB 0.908 31.068 30.300 -0.233 0.000 1.181 270 R HN 1.037 nan 8.270 nan 0.000 0.444 271 G N 2.095 110.801 108.800 -0.156 0.000 2.428 271 G HA2 -0.001 3.959 3.960 0.001 0.000 0.202 271 G HA3 -0.001 3.959 3.960 0.001 0.000 0.202 271 G C -1.140 173.849 174.900 0.148 0.000 1.247 271 G CA -0.429 44.635 45.100 -0.060 0.000 1.020 271 G HN 0.795 nan 8.290 nan 0.000 0.529 272 A N -0.328 122.566 122.820 0.124 0.000 2.354 272 A HA 0.938 5.259 4.320 0.001 0.000 0.269 272 A C 0.806 178.565 177.584 0.291 0.000 1.109 272 A CA 1.177 53.320 52.037 0.177 0.000 0.800 272 A CB 0.930 19.974 19.000 0.074 0.000 1.045 272 A HN 2.546 nan 8.150 nan 0.000 0.489 273 G N -0.304 108.603 108.800 0.178 0.000 2.660 273 G HA2 0.609 4.570 3.960 0.001 0.000 0.290 273 G HA3 0.609 4.570 3.960 0.001 0.000 0.290 273 G C -1.117 173.716 174.900 -0.112 0.000 1.432 273 G CA -0.364 44.724 45.100 -0.021 0.000 0.807 273 G HN 0.795 nan 8.290 nan 0.000 0.485 274 T N 0.361 114.793 114.554 -0.204 0.000 2.886 274 T HA 0.536 4.886 4.350 0.001 0.000 0.292 274 T C -1.375 173.163 174.700 -0.271 0.000 1.012 274 T CA -0.187 61.850 62.100 -0.104 0.000 0.982 274 T CB 1.276 70.149 68.868 0.008 0.000 1.018 274 T HN 0.289 nan 8.240 nan 0.000 0.451 275 F N 2.282 122.235 119.950 0.005 0.000 2.361 275 F HA 0.351 4.878 4.527 0.001 0.000 0.364 275 F C 0.999 176.667 175.800 -0.218 0.000 1.120 275 F CA -0.760 57.196 58.000 -0.074 0.000 1.102 275 F CB 0.944 39.978 39.000 0.056 0.000 1.183 275 F HN 0.428 nan 8.300 nan 0.000 0.476 276 E N 3.938 123.961 120.200 -0.294 0.000 2.227 276 E HA 0.464 4.815 4.350 0.001 0.000 0.282 276 E C -1.198 175.028 176.600 -0.623 0.000 1.015 276 E CA -0.465 55.736 56.400 -0.331 0.000 0.823 276 E CB 1.445 30.996 29.700 -0.248 0.000 1.081 276 E HN 0.334 nan 8.360 nan 0.000 0.396 277 F N 1.335 121.214 119.950 -0.117 0.000 2.588 277 F HA 0.386 4.913 4.527 0.001 0.000 0.314 277 F C -0.155 175.627 175.800 -0.030 0.000 1.069 277 F CA -0.989 57.041 58.000 0.050 0.000 0.931 277 F CB 1.056 40.272 39.000 0.360 0.000 1.260 277 F HN 0.156 nan 8.300 nan 0.000 0.465 278 L N 2.296 123.687 121.223 0.281 0.000 2.326 278 L HA 0.376 4.716 4.340 0.001 0.000 0.278 278 L C -1.022 176.046 176.870 0.330 0.000 1.092 278 L CA -0.423 54.566 54.840 0.247 0.000 0.810 278 L CB 1.133 43.318 42.059 0.211 0.000 1.153 278 L HN 0.568 nan 8.230 nan 0.000 0.439 279 F N 3.237 123.181 119.950 -0.009 0.000 2.496 279 F HA 0.401 4.929 4.527 0.001 0.000 0.341 279 F C -0.265 175.461 175.800 -0.123 0.000 1.134 279 F CA -0.350 57.503 58.000 -0.245 0.000 0.968 279 F CB 1.111 39.821 39.000 -0.482 0.000 1.205 279 F HN 0.467 nan 8.300 nan 0.000 0.436 280 E N 5.436 125.335 120.200 -0.501 0.000 2.246 280 E HA 0.272 4.623 4.350 0.001 0.000 0.266 280 E C -0.781 175.528 176.600 -0.484 0.000 0.880 280 E CA -0.626 55.538 56.400 -0.392 0.000 0.762 280 E CB 0.827 30.479 29.700 -0.081 0.000 1.180 280 E HN 0.706 nan 8.360 nan 0.000 0.416 281 N N 3.191 121.597 118.700 -0.489 0.000 2.727 281 N HA -0.205 4.535 4.740 0.001 0.000 0.251 281 N C 0.392 175.651 175.510 -0.417 0.000 1.040 281 N CA 1.310 54.152 53.050 -0.346 0.000 0.712 281 N CB -1.401 36.983 38.487 -0.172 0.000 0.912 281 N HN 0.991 nan 8.380 nan 0.000 0.545 282 G N -0.726 107.652 108.800 -0.702 0.000 2.179 282 G HA2 -0.308 3.652 3.960 0.001 0.000 0.257 282 G HA3 -0.308 3.652 3.960 0.001 0.000 0.257 282 G C -0.360 174.384 174.900 -0.260 0.000 1.010 282 G CA 0.737 45.617 45.100 -0.366 0.000 0.736 282 G HN 0.569 nan 8.290 nan 0.000 0.513 283 E N -0.988 118.879 120.200 -0.555 0.000 2.275 283 E HA 0.529 4.880 4.350 0.001 0.000 0.270 283 E C -0.815 175.462 176.600 -0.537 0.000 0.882 283 E CA -0.766 55.391 56.400 -0.404 0.000 0.758 283 E CB 1.430 30.867 29.700 -0.438 0.000 1.195 283 E HN 0.090 nan 8.360 nan 0.000 0.419 284 F N 1.608 121.382 119.950 -0.292 0.000 2.385 284 F HA 0.384 4.911 4.527 0.001 0.000 0.336 284 F C -0.185 175.389 175.800 -0.378 0.000 1.100 284 F CA -0.255 57.627 58.000 -0.195 0.000 1.116 284 F CB 0.784 39.621 39.000 -0.271 0.000 1.166 284 F HN 0.316 nan 8.300 nan 0.000 0.511 285 Y N 2.454 123.070 120.300 0.526 0.000 2.386 285 Y HA 0.293 4.844 4.550 0.001 0.000 0.334 285 Y C -0.579 175.638 175.900 0.529 0.000 1.002 285 Y CA -1.370 56.999 58.100 0.449 0.000 1.068 285 Y CB 1.293 39.899 38.460 0.243 0.000 1.203 285 Y HN 0.485 nan 8.280 nan 0.000 0.443 286 F N 4.347 124.573 119.950 0.460 0.000 2.495 286 F HA 0.348 4.875 4.527 0.001 0.000 0.365 286 F C 0.143 175.969 175.800 0.043 0.000 1.090 286 F CA 0.104 58.158 58.000 0.089 0.000 1.235 286 F CB 0.519 39.550 39.000 0.052 0.000 1.119 286 F HN 0.541 nan 8.300 nan 0.000 0.562 287 I N 2.746 122.793 120.570 -0.871 0.000 3.098 287 I HA 0.146 4.317 4.170 0.001 0.000 0.241 287 I C -0.139 175.314 176.117 -1.107 0.000 1.081 287 I CA 0.178 61.075 61.300 -0.672 0.000 1.487 287 I CB -0.091 37.688 38.000 -0.369 0.000 1.366 287 I HN 0.654 nan 8.210 nan 0.000 0.463 288 E N 0.647 120.098 120.200 -1.247 0.000 2.416 288 E HA 0.394 4.744 4.350 0.001 0.000 0.280 288 E C -1.115 175.217 176.600 -0.447 0.000 1.055 288 E CA -0.821 55.114 56.400 -0.775 0.000 0.825 288 E CB 2.108 31.640 29.700 -0.279 0.000 1.312 288 E HN 0.022 nan 8.360 nan 0.000 0.452 289 M N 2.330 121.889 119.600 -0.068 0.000 2.205 289 M HA 0.371 4.852 4.480 0.001 0.000 0.344 289 M C -1.403 174.806 176.300 -0.151 0.000 1.085 289 M CA -0.708 54.479 55.300 -0.189 0.000 1.001 289 M CB 1.110 33.523 32.600 -0.312 0.000 1.626 289 M HN 0.450 nan 8.290 nan 0.000 0.442 290 N N 3.624 122.226 118.700 -0.163 0.000 2.420 290 N HA 0.149 4.889 4.740 0.001 0.000 0.249 290 N C -0.231 175.258 175.510 -0.036 0.000 1.033 290 N CA 0.018 53.031 53.050 -0.062 0.000 0.944 290 N CB 1.216 39.685 38.487 -0.029 0.000 1.113 290 N HN 0.596 nan 8.380 nan 0.000 0.502 291 T N 0.573 115.164 114.554 0.061 0.000 3.843 291 T HA 0.355 4.705 4.350 0.001 0.000 0.227 291 T C 0.446 175.277 174.700 0.218 0.000 1.043 291 T CA -0.610 61.615 62.100 0.208 0.000 1.012 291 T CB -0.506 68.515 68.868 0.255 0.000 1.279 291 T HN 0.688 nan 8.240 nan 0.000 0.730 292 R N -1.051 119.552 120.500 0.171 0.000 2.829 292 R HA 0.537 4.877 4.340 0.001 0.000 0.284 292 R C -1.574 174.796 176.300 0.118 0.000 1.006 292 R CA -1.230 54.952 56.100 0.135 0.000 0.844 292 R CB 0.178 30.570 30.300 0.152 0.000 1.309 292 R HN 0.135 nan 8.270 nan 0.000 0.494 293 I N 1.253 121.895 120.570 0.119 0.000 2.696 293 I HA 0.079 4.250 4.170 0.001 0.000 0.284 293 I C -0.204 176.013 176.117 0.167 0.000 1.129 293 I CA 0.468 61.833 61.300 0.107 0.000 1.410 293 I CB 0.918 38.949 38.000 0.051 0.000 1.399 293 I HN 0.469 nan 8.210 nan 0.000 0.579 294 Q N 3.965 123.856 119.800 0.151 0.000 2.241 294 Q HA 0.315 4.655 4.340 0.001 0.000 0.262 294 Q C 0.990 177.036 176.000 0.076 0.000 1.014 294 Q CA -0.884 54.959 55.803 0.068 0.000 0.885 294 Q CB 1.891 30.647 28.738 0.030 0.000 1.311 294 Q HN 0.562 nan 8.270 nan 0.000 0.461 295 V N 1.289 121.000 119.914 -0.338 0.000 2.250 295 V HA -0.298 3.822 4.120 0.001 0.000 0.250 295 V C 1.834 177.831 176.094 -0.160 0.000 1.060 295 V CA 2.401 64.449 62.300 -0.419 0.000 1.030 295 V CB -0.580 30.913 31.823 -0.551 0.000 0.643 295 V HN 0.873 nan 8.190 nan 0.000 0.445 296 E N 1.012 121.140 120.200 -0.119 0.000 2.463 296 E HA -0.166 4.184 4.350 0.001 0.000 0.191 296 E C 1.693 178.250 176.600 -0.072 0.000 1.083 296 E CA 0.524 56.863 56.400 -0.101 0.000 0.872 296 E CB -0.832 28.834 29.700 -0.056 0.000 0.966 296 E HN 0.931 nan 8.360 nan 0.000 0.491 297 H N 0.692 119.765 119.070 0.005 0.000 2.457 297 H HA 0.025 4.582 4.556 0.001 0.000 0.297 297 H C -0.963 174.383 175.328 0.029 0.000 1.092 297 H CA 0.822 56.888 56.048 0.029 0.000 1.309 297 H CB -1.537 28.253 29.762 0.046 0.000 1.382 297 H HN 0.172 nan 8.280 nan 0.000 0.535 298 P HA -0.145 nan 4.420 nan 0.000 0.218 298 P C 2.290 179.569 177.300 -0.035 0.000 1.148 298 P CA 1.895 64.884 63.100 -0.185 0.000 0.822 298 P CB -0.222 31.326 31.700 -0.252 0.000 0.784 299 V N -3.720 116.179 119.914 -0.024 0.000 2.343 299 V HA -0.221 3.899 4.120 0.001 0.000 0.247 299 V C 1.983 178.099 176.094 0.036 0.000 1.051 299 V CA 2.515 64.829 62.300 0.022 0.000 1.036 299 V CB -2.260 29.576 31.823 0.022 0.000 0.654 299 V HN 0.052 nan 8.190 nan 0.000 0.451 300 T N 0.439 115.019 114.554 0.043 0.000 2.746 300 T HA -0.142 4.209 4.350 0.001 0.000 0.267 300 T C 1.824 176.556 174.700 0.053 0.000 1.039 300 T CA 2.036 64.168 62.100 0.054 0.000 1.142 300 T CB -0.350 68.565 68.868 0.078 0.000 0.866 300 T HN 0.705 nan 8.240 nan 0.000 0.444 301 E N 0.585 120.824 120.200 0.065 0.000 2.110 301 E HA -0.095 4.256 4.350 0.001 0.000 0.193 301 E C 2.202 178.809 176.600 0.012 0.000 0.988 301 E CA 0.869 57.300 56.400 0.052 0.000 0.804 301 E CB -0.122 29.627 29.700 0.082 0.000 0.745 301 E HN 0.351 nan 8.360 nan 0.000 0.458 302 M N 0.351 119.958 119.600 0.012 0.000 2.117 302 M HA -0.102 4.379 4.480 0.001 0.000 0.262 302 M C 2.530 178.805 176.300 -0.042 0.000 1.065 302 M CA 1.326 56.605 55.300 -0.035 0.000 1.114 302 M CB -0.801 31.843 32.600 0.074 0.000 1.361 302 M HN 0.231 nan 8.290 nan 0.000 0.408 303 I N -2.664 117.943 120.570 0.062 0.000 3.226 303 I HA -0.001 4.170 4.170 0.001 0.000 0.277 303 I C 1.820 177.971 176.117 0.057 0.000 1.243 303 I CA 1.243 62.608 61.300 0.109 0.000 1.459 303 I CB -0.568 37.487 38.000 0.092 0.000 1.093 303 I HN 0.228 nan 8.210 nan 0.000 0.453 304 T N -3.237 111.332 114.554 0.025 0.000 2.969 304 T HA 0.414 4.764 4.350 0.001 0.000 0.250 304 T C 1.660 176.364 174.700 0.007 0.000 1.021 304 T CA 0.504 62.616 62.100 0.020 0.000 1.003 304 T CB 0.399 69.271 68.868 0.007 0.000 1.040 304 T HN 0.595 nan 8.240 nan 0.000 0.492 305 G N 1.118 109.910 108.800 -0.013 0.000 2.162 305 G HA2 -0.220 3.741 3.960 0.001 0.000 0.260 305 G HA3 -0.220 3.741 3.960 0.001 0.000 0.260 305 G C 0.044 174.943 174.900 -0.001 0.000 0.976 305 G CA 0.086 45.175 45.100 -0.019 0.000 0.655 305 G HN 0.734 nan 8.290 nan 0.000 0.533 306 V N 1.362 121.281 119.914 0.009 0.000 2.498 306 V HA 0.384 4.505 4.120 0.001 0.000 0.279 306 V C 0.300 176.411 176.094 0.028 0.000 1.048 306 V CA -0.552 61.757 62.300 0.015 0.000 0.967 306 V CB 1.805 33.635 31.823 0.012 0.000 0.988 306 V HN 0.332 nan 8.190 nan 0.000 0.473 307 D N 4.550 124.965 120.400 0.025 0.000 2.422 307 D HA 0.183 4.823 4.640 0.001 0.000 0.227 307 D C 1.004 177.320 176.300 0.027 0.000 1.190 307 D CA -0.027 53.993 54.000 0.034 0.000 0.905 307 D CB 1.090 41.905 40.800 0.025 0.000 1.034 307 D HN 0.459 nan 8.370 nan 0.000 0.507 308 L N 3.747 124.993 121.223 0.037 0.000 2.046 308 L HA -0.201 4.140 4.340 0.001 0.000 0.208 308 L C 2.114 178.964 176.870 -0.033 0.000 1.077 308 L CA 0.627 55.469 54.840 0.005 0.000 0.747 308 L CB -0.167 41.897 42.059 0.007 0.000 0.896 308 L HN 0.515 nan 8.230 nan 0.000 0.432 309 I N -0.088 120.448 120.570 -0.055 0.000 2.202 309 I HA -0.245 3.926 4.170 0.001 0.000 0.242 309 I C 2.456 178.577 176.117 0.006 0.000 1.091 309 I CA 1.482 62.764 61.300 -0.031 0.000 1.368 309 I CB -1.098 36.874 38.000 -0.047 0.000 1.058 309 I HN 0.276 nan 8.210 nan 0.000 0.410 310 K N 0.574 120.977 120.400 0.005 0.000 2.103 310 K HA -0.184 4.136 4.320 0.001 0.000 0.207 310 K C 1.934 178.535 176.600 0.002 0.000 1.048 310 K CA 1.076 57.368 56.287 0.008 0.000 0.930 310 K CB -0.053 32.453 32.500 0.010 0.000 0.716 310 K HN 0.306 nan 8.250 nan 0.000 0.444 311 E N 1.089 121.290 120.200 0.001 0.000 2.110 311 E HA -0.185 4.165 4.350 0.001 0.000 0.193 311 E C 2.050 178.641 176.600 -0.015 0.000 0.988 311 E CA 1.097 57.495 56.400 -0.003 0.000 0.804 311 E CB -0.101 29.602 29.700 0.004 0.000 0.745 311 E HN 0.394 nan 8.360 nan 0.000 0.458 312 Q N 0.222 120.008 119.800 -0.022 0.000 2.061 312 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 312 Q C 2.460 178.417 176.000 -0.073 0.000 0.984 312 Q CA 1.155 56.922 55.803 -0.061 0.000 0.846 312 Q CB -0.167 28.526 28.738 -0.076 0.000 0.902 312 Q HN 0.269 nan 8.270 nan 0.000 0.421 313 L N -0.133 121.068 121.223 -0.036 0.000 2.093 313 L HA -0.157 4.184 4.340 0.001 0.000 0.208 313 L C 2.458 179.312 176.870 -0.027 0.000 1.085 313 L CA 1.021 55.843 54.840 -0.029 0.000 0.755 313 L CB -0.353 41.709 42.059 0.005 0.000 0.904 313 L HN 0.129 nan 8.230 nan 0.000 0.435 314 R N 0.165 120.653 120.500 -0.019 0.000 2.081 314 R HA -0.132 4.208 4.340 0.001 0.000 0.235 314 R C 2.290 178.577 176.300 -0.022 0.000 1.131 314 R CA 1.412 57.503 56.100 -0.015 0.000 0.960 314 R CB -0.398 29.897 30.300 -0.009 0.000 0.856 314 R HN 0.317 nan 8.270 nan 0.000 0.436 315 I N 0.370 120.921 120.570 -0.031 0.000 2.163 315 I HA -0.228 3.942 4.170 0.001 0.000 0.240 315 I C 2.565 178.654 176.117 -0.047 0.000 1.081 315 I CA 1.181 62.460 61.300 -0.036 0.000 1.353 315 I CB -0.365 37.610 38.000 -0.042 0.000 1.054 315 I HN 0.180 nan 8.210 nan 0.000 0.407 316 A N 0.689 123.469 122.820 -0.067 0.000 1.978 316 A HA -0.163 4.157 4.320 0.001 0.000 0.220 316 A C 2.328 179.890 177.584 -0.038 0.000 1.170 316 A CA 1.718 53.714 52.037 -0.068 0.000 0.636 316 A CB -0.790 18.145 19.000 -0.107 0.000 0.810 316 A HN 0.447 nan 8.150 nan 0.000 0.448 317 A N -1.646 121.157 122.820 -0.029 0.000 2.239 317 A HA 0.370 4.690 4.320 0.001 0.000 0.209 317 A C 1.847 179.422 177.584 -0.015 0.000 1.171 317 A CA 1.265 53.292 52.037 -0.016 0.000 0.768 317 A CB -1.188 17.805 19.000 -0.011 0.000 0.790 317 A HN 1.933 nan 8.150 nan 0.000 0.478 318 G N -1.500 107.288 108.800 -0.019 0.000 2.159 318 G HA2 -0.268 3.692 3.960 0.001 0.000 0.256 318 G HA3 -0.268 3.692 3.960 0.001 0.000 0.256 318 G C 0.078 174.970 174.900 -0.012 0.000 0.977 318 G CA 0.338 45.428 45.100 -0.016 0.000 0.652 318 G HN 0.664 nan 8.290 nan 0.000 0.531 319 Q N 1.100 120.893 119.800 -0.012 0.000 2.340 319 Q HA 0.440 4.780 4.340 0.001 0.000 0.249 319 Q C -2.022 173.973 176.000 -0.007 0.000 0.957 319 Q CA -1.380 54.418 55.803 -0.008 0.000 0.882 319 Q CB 1.340 30.073 28.738 -0.007 0.000 1.235 319 Q HN 0.343 nan 8.270 nan 0.000 0.439 320 P HA 0.122 nan 4.420 nan 0.000 0.278 320 P C -0.603 176.696 177.300 -0.000 0.000 1.258 320 P CA -0.470 62.629 63.100 -0.001 0.000 0.811 320 P CB 0.750 32.450 31.700 -0.001 0.000 1.063 321 L N 1.260 122.485 121.223 0.003 0.000 2.578 321 L HA -0.051 4.290 4.340 0.001 0.000 0.279 321 L C 1.773 178.642 176.870 -0.002 0.000 1.227 321 L CA 0.325 55.166 54.840 0.003 0.000 0.900 321 L CB -0.180 41.883 42.059 0.007 0.000 1.144 321 L HN 0.496 nan 8.230 nan 0.000 0.496 322 S N 2.705 118.403 115.700 -0.003 0.000 2.503 322 S HA 0.179 4.649 4.470 0.001 0.000 0.217 322 S C 0.646 175.241 174.600 -0.009 0.000 0.999 322 S CA -0.227 57.971 58.200 -0.004 0.000 0.914 322 S CB 0.200 63.399 63.200 -0.003 0.000 0.782 322 S HN 0.374 nan 8.310 nan 0.000 0.520 323 I N 3.050 123.612 120.570 -0.013 0.000 2.395 323 I HA 0.378 4.548 4.170 0.001 0.000 0.289 323 I C 0.223 176.319 176.117 -0.035 0.000 1.023 323 I CA -0.407 60.878 61.300 -0.025 0.000 1.350 323 I CB 0.699 38.679 38.000 -0.033 0.000 1.409 323 I HN 0.164 nan 8.210 nan 0.000 0.507 324 K N 3.978 124.352 120.400 -0.044 0.000 2.095 324 K HA 0.250 4.570 4.320 0.001 0.000 0.252 324 K C 0.626 177.166 176.600 -0.099 0.000 0.977 324 K CA -0.708 55.547 56.287 -0.054 0.000 0.900 324 K CB 1.328 33.804 32.500 -0.039 0.000 1.060 324 K HN 0.260 nan 8.250 nan 0.000 0.449 325 Q N 1.950 121.684 119.800 -0.109 0.000 2.096 325 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 325 Q C 1.501 177.369 176.000 -0.220 0.000 0.982 325 Q CA 2.213 57.905 55.803 -0.186 0.000 0.850 325 Q CB -0.082 28.571 28.738 -0.142 0.000 0.901 325 Q HN 0.709 nan 8.270 nan 0.000 0.422 326 E N -0.361 119.749 120.200 -0.150 0.000 2.209 326 E HA -0.212 4.139 4.350 0.001 0.000 0.196 326 E C 1.396 177.841 176.600 -0.259 0.000 0.993 326 E CA 1.623 57.929 56.400 -0.157 0.000 0.819 326 E CB -0.271 29.390 29.700 -0.064 0.000 0.745 326 E HN 0.508 nan 8.360 nan 0.000 0.477 327 E N 0.677 120.756 120.200 -0.203 0.000 2.435 327 E HA 0.042 4.393 4.350 0.001 0.000 0.195 327 E C -0.279 176.149 176.600 -0.288 0.000 1.029 327 E CA 0.079 56.382 56.400 -0.162 0.000 0.865 327 E CB 0.531 30.202 29.700 -0.049 0.000 0.833 327 E HN 0.077 nan 8.360 nan 0.000 0.510 328 V N 1.829 121.512 119.914 -0.384 0.000 2.488 328 V HA 0.111 4.231 4.120 0.001 0.000 0.277 328 V C -0.497 175.311 176.094 -0.477 0.000 1.046 328 V CA 0.021 62.128 62.300 -0.322 0.000 0.986 328 V CB 0.428 32.073 31.823 -0.296 0.000 0.989 328 V HN 0.178 nan 8.190 nan 0.000 0.475 329 H N 1.802 120.842 119.070 -0.050 0.000 2.679 329 H HA 0.531 5.088 4.556 0.001 0.000 0.360 329 H C -0.782 174.539 175.328 -0.010 0.000 1.105 329 H CA -0.748 55.283 56.048 -0.027 0.000 1.196 329 H CB 2.054 31.809 29.762 -0.012 0.000 1.636 329 H HN 0.429 nan 8.280 nan 0.000 0.531 330 V N 3.978 123.965 119.914 0.122 0.000 2.368 330 V HA 0.316 4.436 4.120 0.001 0.000 0.266 330 V C 0.153 176.307 176.094 0.099 0.000 1.045 330 V CA -0.203 62.147 62.300 0.083 0.000 0.899 330 V CB 0.331 32.186 31.823 0.053 0.000 1.006 330 V HN 0.641 nan 8.190 nan 0.000 0.470 331 R N 3.301 123.871 120.500 0.117 0.000 2.494 331 R HA 0.681 5.022 4.340 0.001 0.000 0.305 331 R C 0.700 177.133 176.300 0.221 0.000 0.959 331 R CA 0.496 56.682 56.100 0.145 0.000 0.864 331 R CB 1.831 32.218 30.300 0.144 0.000 1.159 331 R HN 1.001 nan 8.270 nan 0.000 0.446 332 G N 1.362 110.249 108.800 0.144 0.000 2.601 332 G HA2 -0.323 3.638 3.960 0.001 0.000 0.261 332 G HA3 -0.323 3.638 3.960 0.001 0.000 0.261 332 G C -1.023 173.889 174.900 0.020 0.000 1.289 332 G CA 0.009 45.120 45.100 0.019 0.000 0.920 332 G HN 0.734 nan 8.290 nan 0.000 0.571 333 H N -0.933 117.983 119.070 -0.257 0.000 2.974 333 H HA 0.683 5.239 4.556 0.001 0.000 0.366 333 H C -0.047 175.202 175.328 -0.132 0.000 1.155 333 H CA 0.320 56.287 56.048 -0.136 0.000 1.186 333 H CB 1.620 31.291 29.762 -0.151 0.000 1.799 333 H HN 1.421 nan 8.280 nan 0.000 0.541 334 A N 3.144 126.001 122.820 0.062 0.000 2.515 334 A HA 0.700 5.020 4.320 0.001 0.000 0.298 334 A C -1.574 176.113 177.584 0.171 0.000 1.059 334 A CA -0.556 51.571 52.037 0.150 0.000 0.698 334 A CB 1.555 20.661 19.000 0.177 0.000 1.289 334 A HN 0.422 nan 8.150 nan 0.000 0.404 335 V N 0.954 120.970 119.914 0.170 0.000 2.789 335 V HA 0.586 4.706 4.120 0.001 0.000 0.311 335 V C -0.353 175.812 176.094 0.118 0.000 1.073 335 V CA -0.519 61.885 62.300 0.173 0.000 0.921 335 V CB 1.882 33.840 31.823 0.225 0.000 1.009 335 V HN 0.982 nan 8.190 nan 0.000 0.426 336 E N 2.369 122.623 120.200 0.089 0.000 2.176 336 E HA 0.509 4.860 4.350 0.001 0.000 0.267 336 E C -1.582 175.044 176.600 0.042 0.000 0.893 336 E CA -0.416 56.015 56.400 0.052 0.000 0.761 336 E CB 1.603 31.307 29.700 0.008 0.000 1.133 336 E HN 0.751 nan 8.360 nan 0.000 0.409 337 C N 4.910 124.242 119.300 0.053 0.000 2.281 337 C HA 0.464 4.924 4.460 0.001 0.000 0.325 337 C C 0.182 175.201 174.990 0.049 0.000 1.282 337 C CA -0.728 58.316 59.018 0.042 0.000 1.640 337 C CB 0.135 27.911 27.740 0.059 0.000 2.288 337 C HN 0.731 nan 8.230 nan 0.000 0.507 338 R N 2.950 123.463 120.500 0.022 0.000 2.490 338 R HA 0.470 4.811 4.340 0.001 0.000 0.280 338 R C -0.504 175.832 176.300 0.060 0.000 1.077 338 R CA -0.212 55.899 56.100 0.018 0.000 1.065 338 R CB 0.529 30.825 30.300 -0.007 0.000 1.003 338 R HN 0.527 nan 8.270 nan 0.000 0.470 339 I N 2.666 123.279 120.570 0.073 0.000 2.362 339 I HA 0.267 4.437 4.170 0.001 0.000 0.289 339 I C -0.261 175.912 176.117 0.094 0.000 0.994 339 I CA -0.590 60.783 61.300 0.121 0.000 1.158 339 I CB 1.124 39.255 38.000 0.219 0.000 1.315 339 I HN 0.588 nan 8.210 nan 0.000 0.451 340 N N 3.646 122.405 118.700 0.098 0.000 2.284 340 N HA 0.575 5.316 4.740 0.001 0.000 0.300 340 N C -0.302 175.264 175.510 0.094 0.000 1.047 340 N CA -0.611 52.495 53.050 0.093 0.000 0.821 340 N CB 2.373 40.919 38.487 0.099 0.000 1.337 340 N HN 0.713 nan 8.380 nan 0.000 0.482 341 A N 2.662 125.534 122.820 0.085 0.000 2.915 341 A HA 0.179 4.499 4.320 0.001 0.000 0.292 341 A C -0.213 177.407 177.584 0.059 0.000 1.632 341 A CA 0.104 52.181 52.037 0.068 0.000 1.337 341 A CB -0.686 18.351 19.000 0.061 0.000 1.111 341 A HN 0.785 nan 8.150 nan 0.000 0.569 342 E N 0.977 121.213 120.200 0.059 0.000 2.390 342 E HA 0.227 4.578 4.350 0.001 0.000 0.280 342 E C -1.582 175.018 176.600 0.000 0.000 0.992 342 E CA -0.996 55.437 56.400 0.056 0.000 0.790 342 E CB 0.753 30.534 29.700 0.135 0.000 1.248 342 E HN 0.249 nan 8.360 nan 0.000 0.447 343 D N 2.398 122.764 120.400 -0.057 0.000 2.488 343 D HA 0.008 4.648 4.640 0.001 0.000 0.238 343 D C -1.244 174.849 176.300 -0.345 0.000 1.138 343 D CA -1.267 52.639 54.000 -0.157 0.000 0.873 343 D CB 1.198 41.902 40.800 -0.160 0.000 1.183 343 D HN 0.244 nan 8.370 nan 0.000 0.458 344 P HA -0.031 nan 4.420 nan 0.000 0.233 344 P C 0.415 177.321 177.300 -0.656 0.000 1.167 344 P CA 0.607 63.484 63.100 -0.372 0.000 0.770 344 P CB 0.613 32.221 31.700 -0.153 0.000 0.837 345 N N -0.813 117.499 118.700 -0.645 0.000 2.606 345 N HA -0.011 4.729 4.740 0.001 0.000 0.208 345 N C 1.749 176.886 175.510 -0.621 0.000 1.046 345 N CA 1.672 54.401 53.050 -0.534 0.000 0.891 345 N CB -0.370 37.975 38.487 -0.236 0.000 1.344 345 N HN 0.203 nan 8.380 nan 0.000 0.437 346 T N -2.106 112.157 114.554 -0.485 0.000 3.044 346 T HA 0.124 4.474 4.350 0.001 0.000 0.255 346 T C 0.423 175.113 174.700 -0.018 0.000 1.073 346 T CA 0.088 62.084 62.100 -0.173 0.000 1.125 346 T CB -0.213 68.607 68.868 -0.080 0.000 0.908 346 T HN 0.127 nan 8.240 nan 0.000 0.480 347 F N -0.781 119.167 119.950 -0.003 0.000 3.018 347 F HA -0.112 4.416 4.527 0.001 0.000 0.287 347 F C 0.171 175.970 175.800 -0.001 0.000 0.813 347 F CA -0.485 57.514 58.000 -0.001 0.000 1.209 347 F CB -2.513 36.486 39.000 -0.002 0.000 1.321 347 F HN 0.308 nan 8.300 nan 0.000 0.477 348 L N 3.571 124.835 121.223 0.067 0.000 2.462 348 L HA 0.372 4.713 4.340 0.001 0.000 0.272 348 L C -1.752 175.140 176.870 0.037 0.000 1.166 348 L CA -1.340 53.525 54.840 0.042 0.000 0.880 348 L CB 0.065 42.126 42.059 0.004 0.000 1.142 348 L HN -0.260 nan 8.230 nan 0.000 0.473 349 P HA 0.021 nan 4.420 nan 0.000 0.266 349 P C -0.981 176.321 177.300 0.002 0.000 1.195 349 P CA 0.055 63.171 63.100 0.027 0.000 0.768 349 P CB 0.644 32.352 31.700 0.013 0.000 0.838 350 S N 2.889 118.592 115.700 0.004 0.000 2.060 350 S HA 0.375 4.845 4.470 0.001 0.000 0.156 350 S C -2.499 172.089 174.600 -0.019 0.000 1.690 350 S CA -1.693 56.501 58.200 -0.011 0.000 1.238 350 S CB -0.304 62.894 63.200 -0.003 0.000 1.150 350 S HN 0.229 nan 8.310 nan 0.000 0.437 351 P HA 0.684 nan 4.420 nan 0.000 0.276 351 P C 0.245 177.497 177.300 -0.079 0.000 1.244 351 P CA 0.141 63.199 63.100 -0.070 0.000 0.801 351 P CB 1.270 32.897 31.700 -0.122 0.000 1.006 352 G N -0.011 108.730 108.800 -0.097 0.000 2.356 352 G HA2 0.098 4.058 3.960 0.001 0.000 0.300 352 G HA3 0.098 4.058 3.960 0.001 0.000 0.300 352 G C -1.615 173.219 174.900 -0.111 0.000 1.331 352 G CA -0.856 44.188 45.100 -0.094 0.000 0.905 352 G HN 0.599 nan 8.290 nan 0.000 0.587 353 K N 0.122 120.466 120.400 -0.093 0.000 2.322 353 K HA 0.426 4.747 4.320 0.001 0.000 0.283 353 K C 0.119 176.687 176.600 -0.054 0.000 1.042 353 K CA -0.401 55.828 56.287 -0.095 0.000 0.958 353 K CB 0.318 32.780 32.500 -0.063 0.000 0.984 353 K HN 0.339 nan 8.250 nan 0.000 0.473 354 I N 4.966 125.504 120.570 -0.053 0.000 2.322 354 I HA -0.036 4.135 4.170 0.001 0.000 0.292 354 I C 1.594 177.733 176.117 0.037 0.000 1.060 354 I CA -0.143 61.160 61.300 0.004 0.000 1.309 354 I CB 1.188 39.191 38.000 0.005 0.000 1.415 354 I HN 0.809 nan 8.210 nan 0.000 0.492 355 T N 2.984 117.567 114.554 0.048 0.000 3.014 355 T HA 0.054 4.405 4.350 0.001 0.000 0.263 355 T C 0.900 175.651 174.700 0.085 0.000 1.078 355 T CA 0.281 62.414 62.100 0.055 0.000 1.135 355 T CB 0.206 69.096 68.868 0.036 0.000 0.895 355 T HN 0.517 nan 8.240 nan 0.000 0.480 356 R N -0.374 120.192 120.500 0.110 0.000 2.604 356 R HA 0.611 4.951 4.340 0.001 0.000 0.281 356 R C -2.360 174.075 176.300 0.225 0.000 1.020 356 R CA -1.032 55.147 56.100 0.133 0.000 0.899 356 R CB 1.704 32.048 30.300 0.074 0.000 1.205 356 R HN 0.304 nan 8.270 nan 0.000 0.450 357 F N 3.336 123.327 119.950 0.068 0.000 2.573 357 F HA 0.416 4.943 4.527 0.001 0.000 0.316 357 F C -1.639 174.222 175.800 0.100 0.000 1.148 357 F CA -0.596 57.445 58.000 0.069 0.000 0.940 357 F CB 1.670 40.719 39.000 0.081 0.000 1.214 357 F HN 0.700 nan 8.300 nan 0.000 0.448 358 H N 4.237 122.707 119.070 -1.000 0.000 2.782 358 H HA 0.743 5.299 4.556 0.001 0.000 0.347 358 H C -1.305 173.273 175.328 -1.250 0.000 1.038 358 H CA -0.316 55.165 56.048 -0.945 0.000 1.255 358 H CB 1.840 31.339 29.762 -0.439 0.000 1.623 358 H HN 0.868 nan 8.280 nan 0.000 0.525 359 A N 6.212 128.117 122.820 -1.527 0.000 2.331 359 A HA 0.469 4.789 4.320 0.001 0.000 0.283 359 A C -2.354 174.718 177.584 -0.854 0.000 1.142 359 A CA -1.490 49.819 52.037 -1.214 0.000 0.812 359 A CB 0.001 18.487 19.000 -0.856 0.000 1.074 359 A HN 0.632 nan 8.150 nan 0.000 0.497 360 P HA 0.390 nan 4.420 nan 0.000 0.274 360 P C 0.209 177.390 177.300 -0.197 0.000 1.231 360 P CA 0.198 63.116 63.100 -0.304 0.000 0.790 360 P CB 1.412 32.992 31.700 -0.201 0.000 0.951 361 G N -0.850 107.894 108.800 -0.092 0.000 3.211 361 G HA2 0.749 4.710 3.960 0.001 0.000 0.262 361 G HA3 0.749 4.710 3.960 0.001 0.000 0.262 361 G C -0.366 174.556 174.900 0.037 0.000 1.352 361 G CA -0.614 44.473 45.100 -0.021 0.000 1.004 361 G HN 0.825 nan 8.290 nan 0.000 0.559 362 G N -2.094 106.750 108.800 0.074 0.000 2.497 362 G HA2 0.362 4.322 3.960 0.001 0.000 0.686 362 G HA3 0.362 4.322 3.960 0.001 0.000 0.686 362 G C -0.727 174.300 174.900 0.211 0.000 1.288 362 G CA -0.398 44.777 45.100 0.125 0.000 0.899 362 G HN 1.318 nan 8.290 nan 0.000 0.608 363 F N 1.961 121.940 119.950 0.050 0.000 2.538 363 F HA 0.469 4.997 4.527 0.001 0.000 0.371 363 F C 1.664 177.523 175.800 0.097 0.000 1.087 363 F CA 0.806 58.846 58.000 0.067 0.000 1.250 363 F CB 0.780 39.817 39.000 0.063 0.000 1.110 363 F HN 2.221 nan 8.300 nan 0.000 0.570 364 G N 3.786 112.538 108.800 -0.080 0.000 2.168 364 G HA2 -0.202 3.758 3.960 0.001 0.000 0.263 364 G HA3 -0.202 3.758 3.960 0.001 0.000 0.263 364 G C -0.398 174.533 174.900 0.050 0.000 0.977 364 G CA 0.274 45.309 45.100 -0.109 0.000 0.659 364 G HN 0.783 nan 8.290 nan 0.000 0.533 365 V N 1.011 120.980 119.914 0.092 0.000 2.347 365 V HA 0.608 4.728 4.120 0.001 0.000 0.280 365 V C 0.589 176.763 176.094 0.133 0.000 1.021 365 V CA -0.633 61.733 62.300 0.110 0.000 0.847 365 V CB 1.514 33.396 31.823 0.098 0.000 0.990 365 V HN 0.430 nan 8.190 nan 0.000 0.444 366 R N 5.049 125.637 120.500 0.148 0.000 2.437 366 R HA 0.363 4.704 4.340 0.001 0.000 0.310 366 R C -1.405 175.040 176.300 0.243 0.000 0.955 366 R CA -0.602 55.593 56.100 0.158 0.000 0.851 366 R CB 1.483 31.841 30.300 0.098 0.000 1.161 366 R HN 0.825 nan 8.270 nan 0.000 0.446 367 W N 6.195 127.520 121.300 0.042 0.000 2.471 367 W HA 0.337 4.998 4.660 0.001 0.000 0.318 367 W C -1.329 175.222 176.519 0.054 0.000 1.034 367 W CA -0.587 56.789 57.345 0.053 0.000 1.224 367 W CB 1.762 31.261 29.460 0.065 0.000 1.335 367 W HN 0.521 nan 8.180 nan 0.000 0.452 368 E N 4.831 124.717 120.200 -0.524 0.000 2.255 368 E HA 0.274 4.624 4.350 0.001 0.000 0.245 368 E C -1.051 175.090 176.600 -0.765 0.000 0.909 368 E CA -0.164 55.947 56.400 -0.482 0.000 0.747 368 E CB 1.818 31.365 29.700 -0.255 0.000 1.215 368 E HN 0.337 nan 8.360 nan 0.000 0.424 369 S N 1.418 116.681 115.700 -0.729 0.000 2.552 369 S HA 0.182 4.653 4.470 0.001 0.000 0.272 369 S C 0.197 174.670 174.600 -0.210 0.000 1.150 369 S CA -0.647 57.228 58.200 -0.541 0.000 0.849 369 S CB 0.624 63.309 63.200 -0.860 0.000 1.113 369 S HN 0.597 nan 8.310 nan 0.000 0.458 370 H N 3.102 122.041 119.070 -0.217 0.000 2.553 370 H HA 0.297 4.854 4.556 0.001 0.000 0.265 370 H C 0.992 176.174 175.328 -0.243 0.000 0.964 370 H CA 0.184 56.125 56.048 -0.178 0.000 1.156 370 H CB -0.725 28.924 29.762 -0.190 0.000 1.411 370 H HN 0.659 nan 8.280 nan 0.000 0.558 371 I N -0.290 119.891 120.570 -0.648 0.000 2.882 371 I HA 0.373 4.543 4.170 0.001 0.000 0.286 371 I C -0.465 175.368 176.117 -0.474 0.000 1.139 371 I CA -0.966 59.913 61.300 -0.703 0.000 1.379 371 I CB 0.662 38.277 38.000 -0.640 0.000 1.410 371 I HN 0.048 nan 8.210 nan 0.000 0.594 372 Y N 2.390 122.438 120.300 -0.419 0.000 2.725 372 Y HA 0.769 5.320 4.550 0.001 0.000 0.333 372 Y C -0.692 175.232 175.900 0.040 0.000 1.242 372 Y CA -1.595 56.407 58.100 -0.163 0.000 1.059 372 Y CB 0.441 38.897 38.460 -0.006 0.000 1.306 372 Y HN 0.800 nan 8.280 nan 0.000 0.454 373 A N 0.824 123.866 122.820 0.371 0.000 2.454 373 A HA 0.501 4.822 4.320 0.001 0.000 0.260 373 A C 1.294 179.016 177.584 0.229 0.000 1.106 373 A CA 0.621 52.817 52.037 0.264 0.000 0.780 373 A CB -1.062 18.104 19.000 0.278 0.000 1.044 373 A HN 2.251 nan 8.150 nan 0.000 0.498 374 G N 0.547 109.404 108.800 0.095 0.000 2.194 374 G HA2 -0.258 3.702 3.960 0.001 0.000 0.236 374 G HA3 -0.258 3.702 3.960 0.001 0.000 0.236 374 G C 0.133 175.008 174.900 -0.042 0.000 0.987 374 G CA 0.419 45.565 45.100 0.077 0.000 0.635 374 G HN 1.504 nan 8.290 nan 0.000 0.520 375 Y N 2.808 122.838 120.300 -0.450 0.000 2.377 375 Y HA 0.560 5.110 4.550 0.001 0.000 0.330 375 Y C 0.514 176.249 175.900 -0.274 0.000 1.108 375 Y CA 0.464 58.194 58.100 -0.617 0.000 1.308 375 Y CB 0.988 38.733 38.460 -1.193 0.000 1.216 375 Y HN 0.060 nan 8.280 nan 0.000 0.518 376 T N 6.778 120.805 114.554 -0.879 0.000 2.743 376 T HA 0.276 4.627 4.350 0.001 0.000 0.293 376 T C -0.602 173.509 174.700 -0.980 0.000 0.945 376 T CA -0.528 61.179 62.100 -0.655 0.000 1.030 376 T CB 0.379 69.032 68.868 -0.359 0.000 0.912 376 T HN 0.465 nan 8.240 nan 0.000 0.483 377 V N 8.308 127.931 119.914 -0.484 0.000 2.415 377 V HA 0.197 4.317 4.120 0.001 0.000 0.267 377 V C -1.876 174.141 176.094 -0.128 0.000 1.042 377 V CA -1.542 60.653 62.300 -0.175 0.000 1.000 377 V CB 0.324 32.150 31.823 0.005 0.000 1.015 377 V HN 0.704 nan 8.190 nan 0.000 0.478 378 P HA 0.279 nan 4.420 nan 0.000 0.277 378 P C -2.071 175.092 177.300 -0.228 0.000 1.240 378 P CA -1.865 61.168 63.100 -0.111 0.000 0.798 378 P CB 0.314 32.083 31.700 0.115 0.000 0.979 379 P HA -0.063 nan 4.420 nan 0.000 0.233 379 P C 0.607 177.625 177.300 -0.470 0.000 1.167 379 P CA 1.255 64.075 63.100 -0.466 0.000 0.770 379 P CB -0.162 31.221 31.700 -0.529 0.000 0.837 380 Y N -1.794 118.280 120.300 -0.375 0.000 2.519 380 Y HA 0.040 4.591 4.550 0.001 0.000 0.287 380 Y C 1.330 176.919 175.900 -0.518 0.000 1.128 380 Y CA 0.173 57.935 58.100 -0.562 0.000 1.282 380 Y CB -0.548 37.385 38.460 -0.878 0.000 1.027 380 Y HN -0.056 nan 8.280 nan 0.000 0.551 381 Y N -0.271 120.153 120.300 0.206 0.000 2.833 381 Y HA 0.231 4.781 4.550 0.001 0.000 0.323 381 Y C 0.311 176.266 175.900 0.092 0.000 1.220 381 Y CA -1.846 56.358 58.100 0.173 0.000 1.174 381 Y CB 0.326 38.907 38.460 0.201 0.000 1.404 381 Y HN -0.149 nan 8.280 nan 0.000 0.607 382 D N -0.575 119.974 120.400 0.249 0.000 2.312 382 D HA 0.020 4.660 4.640 0.001 0.000 0.248 382 D C 0.904 177.280 176.300 0.127 0.000 1.086 382 D CA 0.127 54.202 54.000 0.124 0.000 0.948 382 D CB 1.748 42.580 40.800 0.055 0.000 1.162 382 D HN 0.610 nan 8.370 nan 0.000 0.446 383 S N 1.831 117.585 115.700 0.090 0.000 2.442 383 S HA -0.163 4.308 4.470 0.001 0.000 0.236 383 S C 1.284 175.945 174.600 0.101 0.000 1.007 383 S CA 0.163 58.417 58.200 0.090 0.000 0.965 383 S CB -0.404 62.842 63.200 0.077 0.000 0.773 383 S HN 0.618 nan 8.310 nan 0.000 0.504 384 M N 2.417 122.075 119.600 0.098 0.000 2.227 384 M HA 0.290 4.771 4.480 0.001 0.000 0.349 384 M C 0.567 176.951 176.300 0.139 0.000 1.443 384 M CA -0.076 55.280 55.300 0.094 0.000 1.110 384 M CB 0.550 33.190 32.600 0.067 0.000 1.773 384 M HN 0.518 nan 8.290 nan 0.000 0.463 385 I N 1.240 121.875 120.570 0.109 0.000 4.288 385 I HA 0.578 4.748 4.170 0.001 0.000 0.331 385 I C 0.463 176.542 176.117 -0.063 0.000 1.322 385 I CA -0.303 61.053 61.300 0.093 0.000 1.149 385 I CB 0.587 38.601 38.000 0.024 0.000 1.112 385 I HN 0.625 nan 8.210 nan 0.000 0.403 386 G N 1.264 110.015 108.800 -0.082 0.000 2.601 386 G HA2 0.547 4.507 3.960 0.001 0.000 0.291 386 G HA3 0.547 4.507 3.960 0.001 0.000 0.291 386 G C -1.919 172.826 174.900 -0.258 0.000 1.456 386 G CA -0.829 44.072 45.100 -0.332 0.000 0.804 386 G HN 0.060 nan 8.290 nan 0.000 0.499 387 K N 0.256 120.406 120.400 -0.416 0.000 2.471 387 K HA 0.507 4.828 4.320 0.001 0.000 0.252 387 K C -1.564 174.958 176.600 -0.130 0.000 0.938 387 K CA -0.856 55.316 56.287 -0.192 0.000 0.796 387 K CB 2.862 35.267 32.500 -0.157 0.000 1.161 387 K HN 0.296 nan 8.250 nan 0.000 0.425 388 L N 4.536 125.824 121.223 0.109 0.000 2.287 388 L HA 0.509 4.850 4.340 0.001 0.000 0.287 388 L C -1.396 175.564 176.870 0.150 0.000 1.022 388 L CA -0.555 54.448 54.840 0.272 0.000 0.814 388 L CB 0.804 43.089 42.059 0.377 0.000 1.217 388 L HN 0.523 nan 8.230 nan 0.000 0.420 389 I N 4.972 125.626 120.570 0.139 0.000 2.418 389 I HA 0.393 4.563 4.170 0.001 0.000 0.287 389 I C -0.722 175.468 176.117 0.122 0.000 1.008 389 I CA -0.049 61.312 61.300 0.102 0.000 1.104 389 I CB 1.653 39.689 38.000 0.059 0.000 1.264 389 I HN 0.487 nan 8.210 nan 0.000 0.438 390 C N 5.399 124.770 119.300 0.118 0.000 2.351 390 C HA 0.491 4.952 4.460 0.001 0.000 0.326 390 C C -0.407 174.657 174.990 0.123 0.000 1.272 390 C CA -0.777 58.306 59.018 0.109 0.000 1.650 390 C CB 0.591 28.381 27.740 0.084 0.000 2.257 390 C HN 0.681 nan 8.230 nan 0.000 0.505 391 Y N 1.881 122.167 120.300 -0.023 0.000 2.387 391 Y HA 0.720 5.271 4.550 0.001 0.000 0.336 391 Y C 0.253 176.096 175.900 -0.096 0.000 1.067 391 Y CA 0.158 58.231 58.100 -0.046 0.000 1.114 391 Y CB 1.295 39.708 38.460 -0.079 0.000 1.208 391 Y HN 0.803 nan 8.280 nan 0.000 0.458 392 G N 3.834 112.086 108.800 -0.913 0.000 2.690 392 G HA2 0.211 4.172 3.960 0.001 0.000 0.293 392 G HA3 0.211 4.172 3.960 0.001 0.000 0.293 392 G C -0.402 174.007 174.900 -0.818 0.000 1.399 392 G CA -0.695 43.977 45.100 -0.713 0.000 0.890 392 G HN 0.661 nan 8.290 nan 0.000 0.485 393 E N -0.297 119.653 120.200 -0.418 0.000 2.333 393 E HA -0.112 4.239 4.350 0.001 0.000 0.198 393 E C 0.372 176.877 176.600 -0.158 0.000 1.007 393 E CA 1.125 57.396 56.400 -0.216 0.000 0.845 393 E CB -0.258 29.407 29.700 -0.059 0.000 0.766 393 E HN 0.541 nan 8.360 nan 0.000 0.507 394 N N -1.005 117.588 118.700 -0.179 0.000 2.853 394 N HA 0.186 4.926 4.740 0.001 0.000 0.258 394 N C 0.211 175.594 175.510 -0.213 0.000 1.444 394 N CA -0.833 52.133 53.050 -0.140 0.000 0.837 394 N CB 1.035 39.452 38.487 -0.117 0.000 1.489 394 N HN -0.175 nan 8.380 nan 0.000 0.529 395 R N -0.534 119.754 120.500 -0.353 0.000 2.091 395 R HA -0.142 4.198 4.340 0.001 0.000 0.238 395 R C 0.160 176.235 176.300 -0.375 0.000 1.136 395 R CA 1.916 57.607 56.100 -0.681 0.000 0.959 395 R CB -0.396 29.320 30.300 -0.973 0.000 0.856 395 R HN 0.621 nan 8.270 nan 0.000 0.437 396 D N -0.241 120.000 120.400 -0.266 0.000 2.123 396 D HA -0.138 4.502 4.640 0.001 0.000 0.196 396 D C 1.908 178.131 176.300 -0.128 0.000 0.992 396 D CA 1.267 55.160 54.000 -0.178 0.000 0.833 396 D CB -0.180 40.538 40.800 -0.136 0.000 0.954 396 D HN 0.098 nan 8.370 nan 0.000 0.455 397 V N 1.246 121.082 119.914 -0.131 0.000 2.427 397 V HA -0.210 3.911 4.120 0.001 0.000 0.248 397 V C 2.482 178.514 176.094 -0.103 0.000 1.051 397 V CA 1.656 63.892 62.300 -0.105 0.000 1.048 397 V CB -0.743 31.008 31.823 -0.121 0.000 0.666 397 V HN 0.178 nan 8.190 nan 0.000 0.456 398 A N 0.088 122.828 122.820 -0.134 0.000 1.883 398 A HA -0.200 4.120 4.320 0.001 0.000 0.217 398 A C 2.191 179.769 177.584 -0.011 0.000 1.186 398 A CA 2.039 54.029 52.037 -0.079 0.000 0.624 398 A CB -0.564 18.407 19.000 -0.049 0.000 0.822 398 A HN 0.486 nan 8.150 nan 0.000 0.444 399 I N -0.298 120.258 120.570 -0.023 0.000 2.163 399 I HA -0.313 3.858 4.170 0.001 0.000 0.243 399 I C 2.984 179.128 176.117 0.045 0.000 1.085 399 I CA 1.157 62.486 61.300 0.048 0.000 1.347 399 I CB -0.356 37.651 38.000 0.012 0.000 1.044 399 I HN 0.381 nan 8.210 nan 0.000 0.408 400 A N 0.637 123.460 122.820 0.005 0.000 1.933 400 A HA -0.208 4.112 4.320 0.001 0.000 0.218 400 A C 2.372 179.968 177.584 0.020 0.000 1.175 400 A CA 1.481 53.525 52.037 0.011 0.000 0.628 400 A CB -0.553 18.443 19.000 -0.006 0.000 0.814 400 A HN 0.310 nan 8.150 nan 0.000 0.444 401 R N -1.826 118.682 120.500 0.013 0.000 2.096 401 R HA -0.117 4.223 4.340 0.001 0.000 0.235 401 R C 2.197 178.523 176.300 0.042 0.000 1.127 401 R CA 1.722 57.837 56.100 0.025 0.000 0.968 401 R CB -0.327 29.980 30.300 0.011 0.000 0.861 401 R HN 0.588 nan 8.270 nan 0.000 0.440 402 M N 1.152 120.785 119.600 0.055 0.000 2.099 402 M HA -0.121 4.359 4.480 0.001 0.000 0.262 402 M C 1.626 177.962 176.300 0.061 0.000 1.067 402 M CA 1.773 57.115 55.300 0.072 0.000 1.124 402 M CB 0.039 32.696 32.600 0.095 0.000 1.353 402 M HN -0.138 nan 8.290 nan 0.000 0.410 403 K N -0.049 120.387 120.400 0.059 0.000 2.059 403 K HA -0.208 4.112 4.320 0.001 0.000 0.212 403 K C 1.713 178.333 176.600 0.034 0.000 1.050 403 K CA 2.268 58.583 56.287 0.048 0.000 0.927 403 K CB -0.526 32.003 32.500 0.048 0.000 0.714 403 K HN 0.588 nan 8.250 nan 0.000 0.447 404 N N -0.038 118.681 118.700 0.031 0.000 2.300 404 N HA -0.071 4.670 4.740 0.001 0.000 0.179 404 N C 1.759 177.278 175.510 0.016 0.000 1.016 404 N CA 0.592 53.656 53.050 0.022 0.000 0.876 404 N CB 0.007 38.508 38.487 0.024 0.000 0.979 404 N HN 0.168 nan 8.380 nan 0.000 0.432 405 A N 1.270 124.104 122.820 0.022 0.000 1.898 405 A HA -0.056 4.264 4.320 0.001 0.000 0.216 405 A C 2.098 179.678 177.584 -0.006 0.000 1.181 405 A CA 0.949 52.991 52.037 0.009 0.000 0.620 405 A CB -0.718 18.305 19.000 0.037 0.000 0.819 405 A HN 0.162 nan 8.150 nan 0.000 0.442 406 L N -0.792 120.443 121.223 0.020 0.000 2.131 406 L HA -0.254 4.086 4.340 0.001 0.000 0.210 406 L C 2.844 179.715 176.870 0.003 0.000 1.092 406 L CA 1.451 56.303 54.840 0.021 0.000 0.759 406 L CB -0.447 41.635 42.059 0.037 0.000 0.903 406 L HN 0.498 nan 8.230 nan 0.000 0.435 407 Q N -0.468 119.333 119.800 0.002 0.000 2.119 407 Q HA -0.196 4.144 4.340 0.001 0.000 0.201 407 Q C 2.010 177.999 176.000 -0.019 0.000 0.972 407 Q CA 1.229 57.029 55.803 -0.004 0.000 0.847 407 Q CB 0.063 28.802 28.738 0.000 0.000 0.903 407 Q HN 0.526 nan 8.270 nan 0.000 0.433 408 E N 0.215 120.400 120.200 -0.026 0.000 2.216 408 E HA -0.073 4.277 4.350 0.001 0.000 0.192 408 E C 0.045 176.608 176.600 -0.061 0.000 0.988 408 E CA -0.175 56.207 56.400 -0.030 0.000 0.834 408 E CB 0.183 29.868 29.700 -0.024 0.000 0.772 408 E HN 0.082 nan 8.360 nan 0.000 0.479 409 L N 1.868 123.028 121.223 -0.105 0.000 2.513 409 L HA 0.105 4.445 4.340 0.001 0.000 0.272 409 L C -0.583 176.230 176.870 -0.095 0.000 1.187 409 L CA 0.812 55.545 54.840 -0.178 0.000 0.895 409 L CB 0.262 42.230 42.059 -0.153 0.000 1.147 409 L HN -0.080 nan 8.230 nan 0.000 0.483 410 I N 7.053 127.551 120.570 -0.120 0.000 2.418 410 I HA 0.395 4.565 4.170 0.001 0.000 0.287 410 I C -0.757 175.409 176.117 0.082 0.000 1.008 410 I CA -0.339 60.945 61.300 -0.027 0.000 1.104 410 I CB 1.360 39.337 38.000 -0.039 0.000 1.264 410 I HN 0.515 nan 8.210 nan 0.000 0.438 411 I N 5.490 126.138 120.570 0.130 0.000 2.497 411 I HA 0.355 4.525 4.170 0.001 0.000 0.284 411 I C -1.326 174.858 176.117 0.112 0.000 1.060 411 I CA -0.554 60.865 61.300 0.199 0.000 1.071 411 I CB 1.686 39.817 38.000 0.219 0.000 1.216 411 I HN 0.385 nan 8.210 nan 0.000 0.442 412 D N 3.714 124.174 120.400 0.100 0.000 2.350 412 D HA 0.651 5.291 4.640 0.001 0.000 0.238 412 D C 0.898 177.227 176.300 0.047 0.000 0.989 412 D CA 0.196 54.231 54.000 0.058 0.000 0.921 412 D CB 2.296 43.123 40.800 0.045 0.000 1.297 412 D HN 0.779 nan 8.370 nan 0.000 0.490 413 G N 0.079 108.895 108.800 0.026 0.000 2.232 413 G HA2 -0.190 3.770 3.960 0.001 0.000 0.226 413 G HA3 -0.190 3.770 3.960 0.001 0.000 0.226 413 G C 0.270 175.171 174.900 0.001 0.000 0.996 413 G CA 0.417 45.523 45.100 0.011 0.000 0.626 413 G HN 0.632 nan 8.290 nan 0.000 0.509 414 I N -3.196 117.381 120.570 0.011 0.000 2.969 414 I HA 0.770 4.940 4.170 0.001 0.000 0.307 414 I C -0.347 175.777 176.117 0.012 0.000 1.149 414 I CA -1.639 59.665 61.300 0.005 0.000 1.008 414 I CB 1.712 39.716 38.000 0.007 0.000 1.232 414 I HN -0.229 nan 8.210 nan 0.000 0.435 415 K N 2.379 122.781 120.400 0.003 0.000 2.202 415 K HA 0.495 4.815 4.320 0.001 0.000 0.264 415 K C -0.064 176.547 176.600 0.019 0.000 1.010 415 K CA -0.053 56.234 56.287 -0.000 0.000 0.940 415 K CB 1.462 33.949 32.500 -0.022 0.000 0.983 415 K HN 0.964 nan 8.250 nan 0.000 0.475 416 T N -1.993 112.574 114.554 0.022 0.000 2.812 416 T HA 0.244 4.595 4.350 0.001 0.000 0.294 416 T C 0.404 175.126 174.700 0.036 0.000 1.159 416 T CA -0.954 61.174 62.100 0.048 0.000 1.008 416 T CB 0.954 69.868 68.868 0.078 0.000 1.289 416 T HN 0.491 nan 8.240 nan 0.000 0.514 417 N N 0.403 119.142 118.700 0.066 0.000 2.322 417 N HA 0.064 4.804 4.740 0.001 0.000 0.216 417 N C 1.237 176.785 175.510 0.064 0.000 1.144 417 N CA -0.252 52.840 53.050 0.070 0.000 0.830 417 N CB -0.483 38.081 38.487 0.128 0.000 1.034 417 N HN 0.383 nan 8.380 nan 0.000 0.484 418 V N 0.731 120.681 119.914 0.060 0.000 2.287 418 V HA -0.254 3.866 4.120 0.001 0.000 0.248 418 V C 2.211 178.326 176.094 0.034 0.000 1.053 418 V CA 2.292 64.626 62.300 0.057 0.000 1.027 418 V CB -0.668 31.191 31.823 0.059 0.000 0.646 418 V HN 0.346 nan 8.190 nan 0.000 0.447 419 D N -0.119 120.292 120.400 0.018 0.000 2.149 419 D HA -0.175 4.465 4.640 0.001 0.000 0.198 419 D C 1.941 178.247 176.300 0.009 0.000 0.990 419 D CA 1.246 55.250 54.000 0.007 0.000 0.839 419 D CB -0.177 40.617 40.800 -0.010 0.000 0.948 419 D HN 0.327 nan 8.370 nan 0.000 0.460 420 L N 0.376 121.607 121.223 0.015 0.000 2.093 420 L HA -0.096 4.244 4.340 0.001 0.000 0.208 420 L C 2.042 178.926 176.870 0.024 0.000 1.085 420 L CA 1.576 56.436 54.840 0.032 0.000 0.755 420 L CB -0.608 41.499 42.059 0.081 0.000 0.904 420 L HN -0.009 nan 8.230 nan 0.000 0.435 421 Q N -0.244 119.570 119.800 0.023 0.000 2.119 421 Q HA -0.119 4.222 4.340 0.001 0.000 0.201 421 Q C 2.375 178.368 176.000 -0.011 0.000 0.972 421 Q CA 1.916 57.718 55.803 -0.001 0.000 0.847 421 Q CB -0.226 28.525 28.738 0.022 0.000 0.903 421 Q HN 0.615 nan 8.270 nan 0.000 0.433 422 I N 0.262 120.838 120.570 0.010 0.000 2.226 422 I HA -0.287 3.883 4.170 0.001 0.000 0.245 422 I C 2.401 178.527 176.117 0.016 0.000 1.100 422 I CA 1.164 62.474 61.300 0.016 0.000 1.374 422 I CB -0.141 37.871 38.000 0.019 0.000 1.057 422 I HN 0.109 nan 8.210 nan 0.000 0.413 423 R N 0.436 120.944 120.500 0.014 0.000 2.090 423 R HA -0.035 4.305 4.340 0.001 0.000 0.228 423 R C 2.284 178.598 176.300 0.023 0.000 1.110 423 R CA 1.152 57.266 56.100 0.024 0.000 0.973 423 R CB -0.181 30.134 30.300 0.025 0.000 0.869 423 R HN 0.334 nan 8.270 nan 0.000 0.440 424 I N 0.208 120.762 120.570 -0.026 0.000 2.252 424 I HA -0.268 3.902 4.170 0.001 0.000 0.245 424 I C 2.015 178.031 176.117 -0.168 0.000 1.102 424 I CA 0.965 62.198 61.300 -0.112 0.000 1.385 424 I CB -0.166 37.700 38.000 -0.223 0.000 1.064 424 I HN 0.162 nan 8.210 nan 0.000 0.414 425 M N 0.256 119.793 119.600 -0.106 0.000 2.213 425 M HA -0.166 4.315 4.480 0.001 0.000 0.263 425 M C 1.753 178.172 176.300 0.199 0.000 1.062 425 M CA 1.582 56.927 55.300 0.076 0.000 1.105 425 M CB -1.464 31.183 32.600 0.079 0.000 1.385 425 M HN 0.259 nan 8.290 nan 0.000 0.417 426 N N 0.613 119.384 118.700 0.118 0.000 2.409 426 N HA -0.059 4.682 4.740 0.001 0.000 0.179 426 N C 0.415 176.008 175.510 0.138 0.000 1.032 426 N CA 0.304 53.421 53.050 0.113 0.000 0.898 426 N CB -0.250 38.281 38.487 0.072 0.000 0.971 426 N HN 0.408 nan 8.380 nan 0.000 0.441 427 D N 1.633 122.137 120.400 0.173 0.000 2.487 427 D HA -0.085 4.555 4.640 0.001 0.000 0.243 427 D C 0.964 177.381 176.300 0.196 0.000 1.154 427 D CA 0.146 54.264 54.000 0.198 0.000 0.876 427 D CB 1.051 42.006 40.800 0.258 0.000 1.161 427 D HN 0.407 nan 8.370 nan 0.000 0.478 428 E N 3.207 123.489 120.200 0.138 0.000 2.274 428 E HA -0.169 4.182 4.350 0.001 0.000 0.194 428 E C 0.875 177.516 176.600 0.069 0.000 0.996 428 E CA 0.514 56.969 56.400 0.092 0.000 0.840 428 E CB 0.014 29.753 29.700 0.065 0.000 0.772 428 E HN 0.375 nan 8.360 nan 0.000 0.491 429 N N 0.509 119.240 118.700 0.051 0.000 2.250 429 N HA -0.087 4.654 4.740 0.001 0.000 0.181 429 N C 1.565 177.048 175.510 -0.044 0.000 1.017 429 N CA 0.870 53.881 53.050 -0.064 0.000 0.866 429 N CB -0.332 37.990 38.487 -0.276 0.000 0.985 429 N HN 0.241 nan 8.380 nan 0.000 0.429 430 F N 2.423 122.300 119.950 -0.122 0.000 2.095 430 F HA -0.204 4.324 4.527 0.001 0.000 0.298 430 F C 2.454 178.236 175.800 -0.029 0.000 1.104 430 F CA 1.443 59.404 58.000 -0.065 0.000 1.232 430 F CB 0.001 38.999 39.000 -0.002 0.000 0.987 430 F HN 0.001 nan 8.300 nan 0.000 0.475 431 Q N -0.808 118.930 119.800 -0.102 0.000 2.084 431 Q HA -0.282 4.059 4.340 0.001 0.000 0.202 431 Q C 2.283 178.165 176.000 -0.197 0.000 0.978 431 Q CA 1.680 57.359 55.803 -0.206 0.000 0.844 431 Q CB -0.611 28.108 28.738 -0.032 0.000 0.898 431 Q HN 0.596 nan 8.270 nan 0.000 0.426 432 H N -0.102 118.865 119.070 -0.171 0.000 2.357 432 H HA -0.028 4.528 4.556 0.001 0.000 0.301 432 H C 0.621 175.838 175.328 -0.185 0.000 1.082 432 H CA 1.598 57.556 56.048 -0.148 0.000 1.342 432 H CB 0.118 29.819 29.762 -0.102 0.000 1.389 432 H HN 0.289 nan 8.280 nan 0.000 0.511 433 G N -1.900 106.818 108.800 -0.135 0.000 2.699 433 G HA2 0.100 4.061 3.960 0.001 0.000 0.686 433 G HA3 0.100 4.061 3.960 0.001 0.000 0.686 433 G C 0.644 175.536 174.900 -0.013 0.000 1.301 433 G CA 0.260 45.250 45.100 -0.182 0.000 0.816 433 G HN 1.106 nan 8.290 nan 0.000 0.595 434 G N -1.346 107.454 108.800 -0.002 0.000 2.141 434 G HA2 0.191 4.152 3.960 0.001 0.000 0.231 434 G HA3 0.191 4.152 3.960 0.001 0.000 0.231 434 G C 0.992 175.912 174.900 0.034 0.000 0.984 434 G CA 1.247 46.375 45.100 0.047 0.000 0.660 434 G HN 2.858 nan 8.290 nan 0.000 0.525 435 T N -0.142 114.408 114.554 -0.008 0.000 2.932 435 T HA 0.430 4.781 4.350 0.001 0.000 0.312 435 T C 0.873 175.591 174.700 0.029 0.000 1.071 435 T CA 0.318 62.375 62.100 -0.072 0.000 1.128 435 T CB 1.056 69.772 68.868 -0.254 0.000 0.984 435 T HN 1.031 nan 8.240 nan 0.000 0.549 436 N N 1.982 120.711 118.700 0.047 0.000 2.327 436 N HA 0.204 4.944 4.740 0.001 0.000 0.257 436 N C 1.306 176.821 175.510 0.010 0.000 1.281 436 N CA -0.505 52.560 53.050 0.026 0.000 0.942 436 N CB 0.116 38.609 38.487 0.011 0.000 1.199 436 N HN 0.790 nan 8.380 nan 0.000 0.532 437 I N -4.335 116.146 120.570 -0.148 0.000 3.001 437 I HA -0.027 4.143 4.170 0.001 0.000 0.268 437 I C 0.527 176.531 176.117 -0.189 0.000 1.267 437 I CA 0.889 62.080 61.300 -0.182 0.000 1.472 437 I CB -0.469 37.395 38.000 -0.225 0.000 1.089 437 I HN 0.449 nan 8.210 nan 0.000 0.468 438 H N -0.828 118.279 119.070 0.060 0.000 2.551 438 H HA 0.086 4.643 4.556 0.001 0.000 0.271 438 H C 1.401 176.754 175.328 0.041 0.000 0.984 438 H CA 0.140 56.202 56.048 0.023 0.000 1.164 438 H CB -0.249 29.526 29.762 0.021 0.000 1.437 438 H HN 0.432 nan 8.280 nan 0.000 0.550 439 Y N 1.493 121.831 120.300 0.064 0.000 2.163 439 Y HA -0.191 4.360 4.550 0.001 0.000 0.288 439 Y C 2.307 178.230 175.900 0.038 0.000 1.136 439 Y CA 0.920 59.053 58.100 0.057 0.000 1.147 439 Y CB -0.325 38.167 38.460 0.055 0.000 0.987 439 Y HN 0.105 nan 8.280 nan 0.000 0.509 440 L N 0.830 122.050 121.223 -0.004 0.000 2.012 440 L HA -0.217 4.124 4.340 0.001 0.000 0.210 440 L C 2.120 178.904 176.870 -0.143 0.000 1.073 440 L CA 2.180 56.969 54.840 -0.085 0.000 0.748 440 L CB -0.928 41.123 42.059 -0.014 0.000 0.891 440 L HN 0.300 nan 8.230 nan 0.000 0.431 441 E N -0.895 119.246 120.200 -0.099 0.000 2.153 441 E HA -0.264 4.087 4.350 0.001 0.000 0.194 441 E C 2.144 178.682 176.600 -0.104 0.000 0.988 441 E CA 1.242 57.588 56.400 -0.089 0.000 0.811 441 E CB -0.057 29.602 29.700 -0.068 0.000 0.746 441 E HN 0.448 nan 8.360 nan 0.000 0.466 442 K N 1.326 121.638 120.400 -0.145 0.000 2.031 442 K HA -0.179 4.142 4.320 0.001 0.000 0.205 442 K C 2.137 178.609 176.600 -0.212 0.000 1.049 442 K CA 1.287 57.481 56.287 -0.155 0.000 0.939 442 K CB 0.040 32.461 32.500 -0.132 0.000 0.717 442 K HN -0.122 nan 8.250 nan 0.000 0.438 443 K N 0.905 121.076 120.400 -0.382 0.000 2.032 443 K HA -0.143 4.177 4.320 0.001 0.000 0.209 443 K C 1.899 178.418 176.600 -0.135 0.000 1.048 443 K CA 1.603 57.708 56.287 -0.304 0.000 0.927 443 K CB -0.181 32.079 32.500 -0.400 0.000 0.712 443 K HN 0.182 nan 8.250 nan 0.000 0.441 444 L N 0.368 121.530 121.223 -0.103 0.000 2.549 444 L HA 0.008 4.349 4.340 0.001 0.000 0.229 444 L C 0.946 177.808 176.870 -0.014 0.000 1.158 444 L CA 0.621 55.448 54.840 -0.023 0.000 0.842 444 L CB -0.509 41.565 42.059 0.026 0.000 0.952 444 L HN 0.656 nan 8.230 nan 0.000 0.452 445 G N 0.459 109.235 108.800 -0.040 0.000 2.298 445 G HA2 -0.243 3.718 3.960 0.001 0.000 0.287 445 G HA3 -0.243 3.718 3.960 0.001 0.000 0.287 445 G C -0.358 174.534 174.900 -0.014 0.000 1.075 445 G CA -0.071 45.014 45.100 -0.026 0.000 0.960 445 G HN 0.112 nan 8.290 nan 0.000 0.502 446 L N 0.000 121.209 121.223 -0.023 0.000 2.949 446 L HA 0.000 4.340 4.340 0.001 0.000 0.249 446 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 446 L CB 0.000 42.047 42.059 -0.021 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502