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 2w6j_1_C DATA FIRST_RESID 21 DATA SEQUENCE TSVDLEETGR VLSIGDGIAR VHGLRNVQAE EMVEFSSGLK GMSLNLEPDN DATA SEQUENCE VGVVVFGNDK LIKEGDIVKR TGAIVDVPVG EELLGRVVDA LGNAIDGKGP DATA SEQUENCE IGSKARRRVG LKAPGIIPRI SVREPMQTGI KAVDSLVPIG RGQRELIIGD DATA SEQUENCE RQTGKTSIAI DTIINQKRFN DGTDEKKKLY CIYVAIGQKR STVAQLVKRL DATA SEQUENCE TDADAMKYTI VVSATASDAA PLQYLAPYSG CSMGEYFRDN GKHALIIYDD DATA SEQUENCE LSKQAVAYRQ MSLLLRRPPG REAYPGDVFY LHSRLLERAA KMNDAFGGGS DATA SEQUENCE LTALPVIETQ AGDVSAYIPT NVISITDGQI FLETELFYKG IRPAINVGLS DATA SEQUENCE VSRVGSAAQT RAMKQVAGTM KLELAQYREV AAFAQFGSDL DAATQQLLSR DATA SEQUENCE GVRLTELLKQ GQYSPMAIEE QVAVIYAGVR GYLDKLEPSK ITKFENAFLS DATA SEQUENCE HVISQHQALL SKIRTDGKIS EESDAKLKEI VTNFLAGFEA 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 21 T HA 0.000 nan 4.350 nan 0.000 0.228 21 T C 0.000 174.702 174.700 0.004 0.000 1.109 21 T CA 0.000 62.103 62.100 0.004 0.000 1.349 21 T CB 0.000 68.871 68.868 0.004 0.000 0.612 22 S N 1.628 117.332 115.700 0.006 0.000 2.456 22 S HA 0.608 5.078 4.470 -0.001 0.000 0.316 22 S C 0.740 175.345 174.600 0.008 0.000 1.089 22 S CA -0.609 57.595 58.200 0.005 0.000 1.101 22 S CB 1.174 64.378 63.200 0.006 0.000 0.995 22 S HN 0.740 nan 8.310 nan 0.000 0.468 23 V N 2.168 122.085 119.914 0.005 0.000 3.398 23 V HA 0.176 4.295 4.120 -0.001 0.000 0.298 23 V C 0.196 176.289 176.094 -0.001 0.000 1.496 23 V CA -0.308 61.997 62.300 0.007 0.000 1.044 23 V CB 0.167 31.995 31.823 0.008 0.000 0.880 23 V HN 0.758 nan 8.190 nan 0.000 0.443 24 D N 1.327 121.723 120.400 -0.007 0.000 2.383 24 D HA 0.214 4.853 4.640 -0.001 0.000 0.245 24 D C 0.583 176.866 176.300 -0.028 0.000 1.263 24 D CA 0.251 54.241 54.000 -0.017 0.000 0.936 24 D CB 0.250 41.040 40.800 -0.016 0.000 1.053 24 D HN 0.261 nan 8.370 nan 0.000 0.507 25 L N 3.296 124.492 121.223 -0.045 0.000 2.848 25 L HA 0.224 4.564 4.340 -0.001 0.000 0.240 25 L C 1.470 178.288 176.870 -0.085 0.000 1.232 25 L CA -0.073 54.719 54.840 -0.080 0.000 1.031 25 L CB 0.039 42.015 42.059 -0.138 0.000 1.338 25 L HN 0.478 nan 8.230 nan 0.000 0.509 26 E N 0.061 120.227 120.200 -0.058 0.000 2.102 26 E HA -0.068 4.281 4.350 -0.001 0.000 0.190 26 E C 1.191 177.760 176.600 -0.051 0.000 0.971 26 E CA 0.663 57.032 56.400 -0.052 0.000 0.821 26 E CB 0.454 30.132 29.700 -0.036 0.000 0.777 26 E HN 0.381 nan 8.360 nan 0.000 0.460 27 E N 0.214 120.386 120.200 -0.046 0.000 2.460 27 E HA 0.036 4.385 4.350 -0.001 0.000 0.200 27 E C 0.728 177.296 176.600 -0.054 0.000 1.011 27 E CA 0.450 56.823 56.400 -0.045 0.000 0.912 27 E CB 1.018 30.697 29.700 -0.035 0.000 0.953 27 E HN 0.210 nan 8.360 nan 0.000 0.494 28 T N -2.376 112.144 114.554 -0.057 0.000 2.887 28 T HA 0.789 5.139 4.350 -0.001 0.000 0.292 28 T C 0.270 174.927 174.700 -0.072 0.000 1.087 28 T CA -0.540 61.523 62.100 -0.061 0.000 1.009 28 T CB 2.549 71.393 68.868 -0.041 0.000 1.203 28 T HN 0.008 nan 8.240 nan 0.000 0.518 29 G N -0.016 108.745 108.800 -0.065 0.000 2.721 29 G HA2 0.690 4.649 3.960 -0.001 0.000 0.296 29 G HA3 0.690 4.649 3.960 -0.001 0.000 0.296 29 G C -1.730 173.172 174.900 0.003 0.000 1.383 29 G CA -1.062 44.005 45.100 -0.055 0.000 0.788 29 G HN 0.710 nan 8.290 nan 0.000 0.500 30 R N -0.283 120.253 120.500 0.060 0.000 2.628 30 R HA 0.465 4.804 4.340 -0.001 0.000 0.288 30 R C -0.879 175.497 176.300 0.127 0.000 0.980 30 R CA -0.691 55.470 56.100 0.103 0.000 0.891 30 R CB 2.171 32.551 30.300 0.133 0.000 1.188 30 R HN 0.352 nan 8.270 nan 0.000 0.450 31 V N 5.130 125.125 119.914 0.136 0.000 2.485 31 V HA -0.009 4.110 4.120 -0.001 0.000 0.287 31 V C 1.804 177.959 176.094 0.103 0.000 1.022 31 V CA 0.443 62.833 62.300 0.150 0.000 1.067 31 V CB 0.378 32.307 31.823 0.176 0.000 0.967 31 V HN 0.674 nan 8.190 nan 0.000 0.479 32 L N 3.828 125.107 121.223 0.094 0.000 2.145 32 L HA 0.123 4.463 4.340 -0.001 0.000 0.201 32 L C 1.001 177.896 176.870 0.041 0.000 1.075 32 L CA 0.903 55.777 54.840 0.057 0.000 0.773 32 L CB 0.095 42.186 42.059 0.053 0.000 0.936 32 L HN 0.835 nan 8.230 nan 0.000 0.451 33 S N -1.079 114.650 115.700 0.048 0.000 2.579 33 S HA 0.660 5.129 4.470 -0.001 0.000 0.272 33 S C -1.026 173.592 174.600 0.029 0.000 1.141 33 S CA -0.738 57.480 58.200 0.029 0.000 0.843 33 S CB 2.793 66.004 63.200 0.018 0.000 1.122 33 S HN 0.017 nan 8.310 nan 0.000 0.468 34 I N 0.338 120.912 120.570 0.005 0.000 2.610 34 I HA 0.828 4.997 4.170 -0.001 0.000 0.289 34 I C -0.509 175.591 176.117 -0.029 0.000 1.163 34 I CA 0.278 61.567 61.300 -0.018 0.000 1.044 34 I CB 1.491 39.463 38.000 -0.047 0.000 1.251 34 I HN 1.267 nan 8.210 nan 0.000 0.424 35 G N 4.680 113.459 108.800 -0.034 0.000 2.716 35 G HA2 0.419 4.378 3.960 -0.001 0.000 0.299 35 G HA3 0.419 4.378 3.960 -0.001 0.000 0.299 35 G C -1.207 173.668 174.900 -0.041 0.000 1.450 35 G CA -0.560 44.518 45.100 -0.036 0.000 0.968 35 G HN 0.646 nan 8.290 nan 0.000 0.566 36 D N 0.161 120.535 120.400 -0.044 0.000 2.708 36 D HA -0.190 4.449 4.640 -0.001 0.000 0.236 36 D C 1.613 177.879 176.300 -0.057 0.000 1.146 36 D CA 2.677 56.649 54.000 -0.047 0.000 0.662 36 D CB -1.093 39.681 40.800 -0.043 0.000 1.059 36 D HN 2.209 nan 8.370 nan 0.000 0.428 37 G N -0.910 107.850 108.800 -0.067 0.000 2.155 37 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.257 37 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.257 37 G C 0.176 175.036 174.900 -0.067 0.000 0.983 37 G CA 0.358 45.411 45.100 -0.080 0.000 0.676 37 G HN 0.484 nan 8.290 nan 0.000 0.528 38 I N 0.781 121.322 120.570 -0.047 0.000 2.418 38 I HA 0.691 4.861 4.170 -0.001 0.000 0.287 38 I C 0.424 176.545 176.117 0.008 0.000 1.008 38 I CA -1.250 60.041 61.300 -0.015 0.000 1.104 38 I CB 1.174 39.162 38.000 -0.019 0.000 1.264 38 I HN 0.321 nan 8.210 nan 0.000 0.438 39 A N 7.645 130.504 122.820 0.066 0.000 2.288 39 A HA 0.726 5.045 4.320 -0.001 0.000 0.320 39 A C -0.057 177.604 177.584 0.129 0.000 1.217 39 A CA -0.730 51.378 52.037 0.118 0.000 0.840 39 A CB 0.877 20.030 19.000 0.255 0.000 1.179 39 A HN 0.566 nan 8.150 nan 0.000 0.504 40 R N 1.722 122.280 120.500 0.096 0.000 2.265 40 R HA 0.490 4.829 4.340 -0.001 0.000 0.319 40 R C -1.068 175.295 176.300 0.105 0.000 1.006 40 R CA -0.334 55.816 56.100 0.084 0.000 0.880 40 R CB 1.274 31.608 30.300 0.056 0.000 1.077 40 R HN 0.447 nan 8.270 nan 0.000 0.454 41 V N 3.317 123.290 119.914 0.098 0.000 2.495 41 V HA 0.170 4.289 4.120 -0.001 0.000 0.298 41 V C -0.080 176.076 176.094 0.104 0.000 1.031 41 V CA -0.992 61.367 62.300 0.098 0.000 0.871 41 V CB 1.520 33.374 31.823 0.053 0.000 0.988 41 V HN 0.703 nan 8.190 nan 0.000 0.432 42 H N 2.992 122.075 119.070 0.022 0.000 2.562 42 H HA 0.662 5.217 4.556 -0.001 0.000 0.352 42 H C 0.594 175.924 175.328 0.003 0.000 1.125 42 H CA 1.381 57.437 56.048 0.012 0.000 1.379 42 H CB 1.181 30.952 29.762 0.014 0.000 1.464 42 H HN 1.103 nan 8.280 nan 0.000 0.563 43 G N 2.783 111.217 108.800 -0.611 0.000 2.496 43 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.243 43 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.243 43 G C -0.075 174.708 174.900 -0.195 0.000 1.176 43 G CA -0.331 44.508 45.100 -0.435 0.000 0.940 43 G HN 1.267 nan 8.290 nan 0.000 0.573 44 L N -0.367 120.772 121.223 -0.139 0.000 3.660 44 L HA -0.215 4.125 4.340 -0.001 0.000 0.440 44 L C 2.273 179.096 176.870 -0.078 0.000 1.262 44 L CA 0.768 55.552 54.840 -0.094 0.000 0.837 44 L CB -0.758 41.251 42.059 -0.083 0.000 1.689 44 L HN 0.659 nan 8.230 nan 0.000 0.890 45 R N 0.122 120.573 120.500 -0.082 0.000 2.127 45 R HA -0.089 4.251 4.340 -0.001 0.000 0.238 45 R C 1.365 177.640 176.300 -0.042 0.000 1.134 45 R CA 1.456 57.519 56.100 -0.061 0.000 0.975 45 R CB -0.215 30.050 30.300 -0.059 0.000 0.865 45 R HN 0.575 nan 8.270 nan 0.000 0.447 46 N N 0.060 118.735 118.700 -0.041 0.000 2.280 46 N HA -0.006 4.733 4.740 -0.001 0.000 0.192 46 N C 0.040 175.533 175.510 -0.029 0.000 1.109 46 N CA -0.018 53.013 53.050 -0.031 0.000 0.855 46 N CB 0.415 38.885 38.487 -0.029 0.000 0.974 46 N HN -0.089 nan 8.380 nan 0.000 0.482 47 V N 1.529 121.422 119.914 -0.034 0.000 2.763 47 V HA -0.029 4.091 4.120 -0.001 0.000 0.306 47 V C 0.235 176.318 176.094 -0.018 0.000 1.059 47 V CA 0.098 62.380 62.300 -0.031 0.000 1.138 47 V CB 0.743 32.542 31.823 -0.039 0.000 0.940 47 V HN 0.241 nan 8.190 nan 0.000 0.489 48 Q N 3.840 123.632 119.800 -0.014 0.000 2.221 48 Q HA 0.637 4.977 4.340 -0.001 0.000 0.242 48 Q C 0.036 176.038 176.000 0.004 0.000 0.940 48 Q CA -0.396 55.404 55.803 -0.004 0.000 0.896 48 Q CB 1.411 30.147 28.738 -0.004 0.000 1.226 48 Q HN 0.957 nan 8.270 nan 0.000 0.463 49 A N 1.743 124.569 122.820 0.011 0.000 2.520 49 A HA 0.054 4.374 4.320 -0.001 0.000 0.245 49 A C 0.114 177.713 177.584 0.026 0.000 1.072 49 A CA 0.291 52.341 52.037 0.021 0.000 0.761 49 A CB -0.257 18.758 19.000 0.025 0.000 1.004 49 A HN 0.971 nan 8.150 nan 0.000 0.499 50 E N -0.513 119.710 120.200 0.038 0.000 3.628 50 E HA -0.202 4.147 4.350 -0.001 0.000 0.309 50 E C 0.195 176.818 176.600 0.039 0.000 0.839 50 E CA 1.207 57.637 56.400 0.050 0.000 1.123 50 E CB -1.355 28.370 29.700 0.042 0.000 1.568 50 E HN 0.923 nan 8.360 nan 0.000 0.440 51 E N 0.730 120.944 120.200 0.023 0.000 2.360 51 E HA 0.203 4.553 4.350 -0.001 0.000 0.269 51 E C -0.114 176.491 176.600 0.009 0.000 1.022 51 E CA -0.312 56.091 56.400 0.005 0.000 0.887 51 E CB 0.588 30.282 29.700 -0.009 0.000 0.990 51 E HN 0.010 nan 8.360 nan 0.000 0.426 52 M N 5.295 124.888 119.600 -0.011 0.000 2.200 52 M HA 0.124 4.603 4.480 -0.001 0.000 0.355 52 M C -0.947 175.327 176.300 -0.043 0.000 1.283 52 M CA -0.189 55.097 55.300 -0.024 0.000 1.124 52 M CB 0.816 33.372 32.600 -0.073 0.000 1.625 52 M HN 0.327 nan 8.290 nan 0.000 0.463 53 V N 1.693 121.574 119.914 -0.055 0.000 3.103 53 V HA 0.751 4.870 4.120 -0.001 0.000 0.318 53 V C -0.908 175.096 176.094 -0.150 0.000 1.114 53 V CA -0.896 61.325 62.300 -0.132 0.000 1.020 53 V CB 1.909 33.602 31.823 -0.216 0.000 1.085 53 V HN 0.861 nan 8.190 nan 0.000 0.446 54 E N 0.668 120.753 120.200 -0.190 0.000 2.224 54 E HA 0.539 4.888 4.350 -0.001 0.000 0.265 54 E C -1.585 174.912 176.600 -0.171 0.000 0.878 54 E CA -0.687 55.652 56.400 -0.102 0.000 0.759 54 E CB 1.612 31.298 29.700 -0.024 0.000 1.164 54 E HN 0.606 nan 8.360 nan 0.000 0.414 55 F N 1.724 121.693 119.950 0.032 0.000 2.378 55 F HA 0.093 4.619 4.527 -0.001 0.000 0.319 55 F C 2.064 177.878 175.800 0.024 0.000 1.155 55 F CA 0.063 58.081 58.000 0.031 0.000 1.157 55 F CB 1.022 40.044 39.000 0.038 0.000 1.252 55 F HN 0.534 nan 8.300 nan 0.000 0.550 56 S N 0.533 116.369 115.700 0.226 0.000 2.380 56 S HA -0.247 4.223 4.470 -0.001 0.000 0.229 56 S C 2.177 176.843 174.600 0.111 0.000 1.043 56 S CA 2.159 60.436 58.200 0.128 0.000 1.038 56 S CB -0.704 62.562 63.200 0.110 0.000 0.872 56 S HN 0.743 nan 8.310 nan 0.000 0.456 57 S N -0.626 115.151 115.700 0.128 0.000 2.481 57 S HA 0.312 4.782 4.470 -0.001 0.000 0.231 57 S C 1.644 176.294 174.600 0.084 0.000 0.996 57 S CA 1.177 59.428 58.200 0.084 0.000 0.942 57 S CB -0.309 62.925 63.200 0.057 0.000 0.768 57 S HN 1.381 nan 8.310 nan 0.000 0.520 58 G N 0.473 109.343 108.800 0.117 0.000 2.253 58 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.209 58 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.209 58 G C -0.007 174.972 174.900 0.131 0.000 0.997 58 G CA -0.120 45.039 45.100 0.099 0.000 0.640 58 G HN 0.469 nan 8.290 nan 0.000 0.496 59 L N 1.202 122.528 121.223 0.171 0.000 2.506 59 L HA 0.292 4.631 4.340 -0.001 0.000 0.281 59 L C 0.888 177.967 176.870 0.349 0.000 1.228 59 L CA 0.500 55.465 54.840 0.209 0.000 0.850 59 L CB 0.477 42.606 42.059 0.116 0.000 1.110 59 L HN 0.153 nan 8.230 nan 0.000 0.496 60 K N 1.223 121.798 120.400 0.293 0.000 2.166 60 K HA 0.743 5.062 4.320 -0.001 0.000 0.245 60 K C -0.154 176.736 176.600 0.482 0.000 0.967 60 K CA -0.634 55.816 56.287 0.272 0.000 0.863 60 K CB 1.986 34.516 32.500 0.049 0.000 1.107 60 K HN 0.734 nan 8.250 nan 0.000 0.436 61 G N 0.712 109.770 108.800 0.429 0.000 2.704 61 G HA2 0.484 4.444 3.960 -0.001 0.000 0.293 61 G HA3 0.484 4.444 3.960 -0.001 0.000 0.293 61 G C -1.755 173.367 174.900 0.370 0.000 1.421 61 G CA -0.753 44.696 45.100 0.581 0.000 0.870 61 G HN 0.466 nan 8.290 nan 0.000 0.492 62 M N 1.190 121.057 119.600 0.446 0.000 2.268 62 M HA 0.469 4.948 4.480 -0.001 0.000 0.344 62 M C -0.218 176.182 176.300 0.167 0.000 1.106 62 M CA -0.563 54.909 55.300 0.286 0.000 1.010 62 M CB 1.452 34.286 32.600 0.390 0.000 1.649 62 M HN 0.350 nan 8.290 nan 0.000 0.443 63 S N 6.033 121.792 115.700 0.098 0.000 2.701 63 S HA 0.243 4.713 4.470 -0.001 0.000 0.317 63 S C 0.915 175.549 174.600 0.057 0.000 1.149 63 S CA -0.408 57.828 58.200 0.061 0.000 1.052 63 S CB -0.171 63.044 63.200 0.025 0.000 1.257 63 S HN 0.715 nan 8.310 nan 0.000 0.532 64 L N 1.702 122.959 121.223 0.057 0.000 2.298 64 L HA 0.202 4.542 4.340 -0.001 0.000 0.209 64 L C 0.148 177.039 176.870 0.035 0.000 1.084 64 L CA 0.454 55.322 54.840 0.047 0.000 0.816 64 L CB -0.007 42.072 42.059 0.033 0.000 0.967 64 L HN 0.356 nan 8.230 nan 0.000 0.460 65 N N 0.841 119.559 118.700 0.029 0.000 2.476 65 N HA 0.368 5.107 4.740 -0.001 0.000 0.257 65 N C -1.003 174.520 175.510 0.022 0.000 0.970 65 N CA -0.051 53.013 53.050 0.023 0.000 0.938 65 N CB 1.282 39.779 38.487 0.017 0.000 1.144 65 N HN 0.002 nan 8.380 nan 0.000 0.500 66 L N 2.221 123.455 121.223 0.020 0.000 2.272 66 L HA 0.397 4.737 4.340 -0.001 0.000 0.284 66 L C 0.361 177.240 176.870 0.014 0.000 1.045 66 L CA -0.322 54.527 54.840 0.014 0.000 0.842 66 L CB 0.476 42.542 42.059 0.011 0.000 1.224 66 L HN 0.359 nan 8.230 nan 0.000 0.430 67 E N 3.541 123.750 120.200 0.015 0.000 2.232 67 E HA 0.306 4.655 4.350 -0.001 0.000 0.264 67 E C -1.673 174.937 176.600 0.017 0.000 0.973 67 E CA -1.805 54.605 56.400 0.016 0.000 0.849 67 E CB 1.620 31.332 29.700 0.019 0.000 1.198 67 E HN 0.269 nan 8.360 nan 0.000 0.407 68 P HA -0.187 nan 4.420 nan 0.000 0.216 68 P C 0.397 177.713 177.300 0.027 0.000 1.150 68 P CA 1.380 64.491 63.100 0.018 0.000 0.843 68 P CB 0.173 31.883 31.700 0.017 0.000 0.787 69 D N -2.261 118.162 120.400 0.038 0.000 2.433 69 D HA 0.058 4.698 4.640 -0.001 0.000 0.211 69 D C 0.137 176.490 176.300 0.089 0.000 1.114 69 D CA -0.093 53.947 54.000 0.067 0.000 0.837 69 D CB -0.494 40.343 40.800 0.061 0.000 0.984 69 D HN 0.347 nan 8.370 nan 0.000 0.505 70 N N -1.347 117.386 118.700 0.056 0.000 3.046 70 N HA 0.397 5.137 4.740 -0.001 0.000 0.243 70 N C -1.966 173.564 175.510 0.034 0.000 1.452 70 N CA -0.954 52.131 53.050 0.058 0.000 0.882 70 N CB 1.778 40.303 38.487 0.064 0.000 1.425 70 N HN -0.215 nan 8.380 nan 0.000 0.517 71 V N -0.006 119.928 119.914 0.034 0.000 2.448 71 V HA 0.754 4.873 4.120 -0.001 0.000 0.295 71 V C 0.542 176.662 176.094 0.044 0.000 1.025 71 V CA -0.657 61.659 62.300 0.027 0.000 0.859 71 V CB 1.310 33.138 31.823 0.009 0.000 0.988 71 V HN 0.889 nan 8.190 nan 0.000 0.431 72 G N 3.718 112.542 108.800 0.040 0.000 2.356 72 G HA2 0.512 4.471 3.960 -0.001 0.000 0.300 72 G HA3 0.512 4.471 3.960 -0.001 0.000 0.300 72 G C -0.667 174.269 174.900 0.061 0.000 1.107 72 G CA -0.168 44.959 45.100 0.046 0.000 0.960 72 G HN 0.537 nan 8.290 nan 0.000 0.418 73 V N 3.943 123.917 119.914 0.100 0.000 2.417 73 V HA 0.387 4.506 4.120 -0.001 0.000 0.291 73 V C 0.472 176.653 176.094 0.146 0.000 1.024 73 V CA -0.841 61.549 62.300 0.150 0.000 0.861 73 V CB 1.549 33.513 31.823 0.235 0.000 0.985 73 V HN 0.748 nan 8.190 nan 0.000 0.436 74 V N 3.872 123.851 119.914 0.107 0.000 2.498 74 V HA 0.641 4.760 4.120 -0.001 0.000 0.279 74 V C -0.094 176.031 176.094 0.051 0.000 1.048 74 V CA -0.431 61.876 62.300 0.012 0.000 0.967 74 V CB 1.340 33.103 31.823 -0.100 0.000 0.988 74 V HN 0.490 nan 8.190 nan 0.000 0.473 75 V N 5.423 125.319 119.914 -0.029 0.000 2.407 75 V HA 0.371 4.490 4.120 -0.001 0.000 0.278 75 V C -0.063 175.993 176.094 -0.064 0.000 1.037 75 V CA -0.164 62.154 62.300 0.029 0.000 0.900 75 V CB 0.969 32.734 31.823 -0.097 0.000 0.983 75 V HN 0.806 nan 8.190 nan 0.000 0.459 76 F N 4.655 124.655 119.950 0.082 0.000 2.640 76 F HA 0.624 5.150 4.527 -0.001 0.000 0.354 76 F C 1.100 176.928 175.800 0.046 0.000 1.213 76 F CA 0.652 58.697 58.000 0.075 0.000 1.314 76 F CB 0.179 39.236 39.000 0.095 0.000 1.679 76 F HN 0.788 nan 8.300 nan 0.000 0.622 77 G N 1.137 109.992 108.800 0.091 0.000 2.332 77 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.265 77 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.265 77 G C -1.540 173.358 174.900 -0.005 0.000 1.329 77 G CA -1.281 43.853 45.100 0.056 0.000 0.949 77 G HN 0.244 nan 8.290 nan 0.000 0.476 78 N N 0.629 119.323 118.700 -0.011 0.000 2.408 78 N HA 0.392 5.132 4.740 -0.001 0.000 0.257 78 N C 1.050 176.520 175.510 -0.066 0.000 1.064 78 N CA 0.202 53.233 53.050 -0.031 0.000 0.952 78 N CB 0.829 39.307 38.487 -0.016 0.000 1.093 78 N HN 0.543 nan 8.380 nan 0.000 0.490 79 D N 3.061 123.411 120.400 -0.083 0.000 2.378 79 D HA -0.234 4.406 4.640 -0.001 0.000 0.222 79 D C 1.365 177.607 176.300 -0.097 0.000 0.980 79 D CA 0.881 54.808 54.000 -0.122 0.000 0.907 79 D CB -0.023 40.706 40.800 -0.119 0.000 0.899 79 D HN 0.664 nan 8.370 nan 0.000 0.527 80 K N 0.847 121.209 120.400 -0.063 0.000 2.360 80 K HA -0.113 4.207 4.320 -0.001 0.000 0.201 80 K C 1.537 178.108 176.600 -0.048 0.000 1.046 80 K CA 0.824 57.084 56.287 -0.046 0.000 0.940 80 K CB -0.388 32.095 32.500 -0.029 0.000 0.748 80 K HN 0.240 nan 8.250 nan 0.000 0.465 81 L N 1.101 122.287 121.223 -0.063 0.000 2.599 81 L HA 0.251 4.591 4.340 -0.001 0.000 0.230 81 L C 0.436 177.254 176.870 -0.086 0.000 1.141 81 L CA -0.013 54.794 54.840 -0.055 0.000 0.877 81 L CB 0.003 42.036 42.059 -0.042 0.000 1.009 81 L HN 0.165 nan 8.230 nan 0.000 0.447 82 I N -0.411 120.081 120.570 -0.129 0.000 2.509 82 I HA 0.304 4.474 4.170 -0.001 0.000 0.293 82 I C -0.385 175.690 176.117 -0.070 0.000 1.020 82 I CA -0.491 60.718 61.300 -0.151 0.000 1.088 82 I CB 1.994 39.769 38.000 -0.375 0.000 1.267 82 I HN -0.080 nan 8.210 nan 0.000 0.430 83 K N 3.981 124.371 120.400 -0.016 0.000 2.385 83 K HA 0.341 4.661 4.320 -0.001 0.000 0.248 83 K C -0.738 175.880 176.600 0.030 0.000 0.955 83 K CA -0.952 55.337 56.287 0.003 0.000 0.816 83 K CB 2.310 34.816 32.500 0.010 0.000 1.250 83 K HN 0.526 nan 8.250 nan 0.000 0.434 84 E N 0.504 120.719 120.200 0.025 0.000 2.529 84 E HA -0.086 4.263 4.350 -0.001 0.000 0.259 84 E C 0.505 177.131 176.600 0.043 0.000 0.966 84 E CA 1.502 57.923 56.400 0.036 0.000 0.937 84 E CB 0.151 29.864 29.700 0.021 0.000 0.923 84 E HN 0.788 nan 8.360 nan 0.000 0.468 85 G N 4.128 112.962 108.800 0.057 0.000 2.234 85 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.235 85 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.235 85 G C -0.138 174.804 174.900 0.070 0.000 0.997 85 G CA 0.120 45.254 45.100 0.056 0.000 0.623 85 G HN 0.658 nan 8.290 nan 0.000 0.514 86 D N 0.539 120.992 120.400 0.089 0.000 2.488 86 D HA 0.353 4.992 4.640 -0.001 0.000 0.238 86 D C 1.026 177.398 176.300 0.120 0.000 1.138 86 D CA -0.100 53.968 54.000 0.112 0.000 0.873 86 D CB 0.905 41.798 40.800 0.155 0.000 1.183 86 D HN 0.449 nan 8.370 nan 0.000 0.458 87 I N 1.681 122.305 120.570 0.090 0.000 2.836 87 I HA 0.050 4.219 4.170 -0.001 0.000 0.285 87 I C -0.557 175.578 176.117 0.030 0.000 1.174 87 I CA -0.045 61.286 61.300 0.053 0.000 1.405 87 I CB 0.577 38.596 38.000 0.030 0.000 1.385 87 I HN -0.016 nan 8.210 nan 0.000 0.594 88 V N 6.815 126.694 119.914 -0.057 0.000 2.638 88 V HA 0.459 4.578 4.120 -0.001 0.000 0.306 88 V C -0.633 175.364 176.094 -0.161 0.000 1.052 88 V CA -0.884 61.285 62.300 -0.218 0.000 0.885 88 V CB 1.808 33.427 31.823 -0.339 0.000 0.999 88 V HN 0.625 nan 8.190 nan 0.000 0.424 89 K N 3.295 123.592 120.400 -0.171 0.000 2.316 89 K HA 0.622 4.942 4.320 -0.001 0.000 0.251 89 K C -0.637 175.896 176.600 -0.111 0.000 0.934 89 K CA -0.950 55.272 56.287 -0.107 0.000 0.802 89 K CB 2.814 35.274 32.500 -0.067 0.000 1.171 89 K HN 0.528 nan 8.250 nan 0.000 0.426 90 R N 0.579 121.029 120.500 -0.083 0.000 2.590 90 R HA 0.051 4.390 4.340 -0.001 0.000 0.274 90 R C 0.568 176.833 176.300 -0.057 0.000 1.061 90 R CA 0.296 56.354 56.100 -0.070 0.000 1.081 90 R CB 0.537 30.804 30.300 -0.054 0.000 0.984 90 R HN 0.655 nan 8.270 nan 0.000 0.448 91 T N 0.162 114.684 114.554 -0.053 0.000 3.039 91 T HA 0.129 4.478 4.350 -0.001 0.000 0.250 91 T C 1.233 175.912 174.700 -0.035 0.000 1.052 91 T CA 0.743 62.817 62.100 -0.043 0.000 1.125 91 T CB 0.428 69.268 68.868 -0.047 0.000 0.908 91 T HN 0.919 nan 8.240 nan 0.000 0.473 92 G N 1.074 109.854 108.800 -0.033 0.000 2.259 92 G HA2 0.097 4.056 3.960 -0.001 0.000 0.217 92 G HA3 0.097 4.056 3.960 -0.001 0.000 0.217 92 G C 0.152 175.038 174.900 -0.023 0.000 1.001 92 G CA -0.101 44.983 45.100 -0.026 0.000 0.627 92 G HN 0.948 nan 8.290 nan 0.000 0.501 93 A N -0.319 122.485 122.820 -0.026 0.000 2.567 93 A HA 0.834 5.154 4.320 -0.001 0.000 0.289 93 A C -0.245 177.324 177.584 -0.025 0.000 1.177 93 A CA -0.415 51.609 52.037 -0.022 0.000 0.694 93 A CB 0.722 19.709 19.000 -0.022 0.000 1.292 93 A HN 0.684 nan 8.150 nan 0.000 0.425 94 I N 0.370 120.927 120.570 -0.022 0.000 3.110 94 I HA 0.355 4.525 4.170 -0.001 0.000 0.314 94 I C 0.583 176.677 176.117 -0.040 0.000 1.020 94 I CA -0.434 60.852 61.300 -0.024 0.000 1.169 94 I CB 0.505 38.495 38.000 -0.016 0.000 1.437 94 I HN 0.361 nan 8.210 nan 0.000 0.595 95 V N 2.172 122.056 119.914 -0.050 0.000 2.843 95 V HA 0.160 4.279 4.120 -0.001 0.000 0.305 95 V C -0.284 175.779 176.094 -0.051 0.000 1.065 95 V CA -0.100 62.155 62.300 -0.075 0.000 1.116 95 V CB 0.298 32.066 31.823 -0.093 0.000 0.968 95 V HN 0.985 nan 8.190 nan 0.000 0.487 96 D N 1.387 121.755 120.400 -0.053 0.000 2.596 96 D HA 0.717 5.356 4.640 -0.001 0.000 0.262 96 D C -0.888 175.393 176.300 -0.033 0.000 1.210 96 D CA -0.673 53.307 54.000 -0.033 0.000 0.873 96 D CB 2.083 42.865 40.800 -0.028 0.000 1.408 96 D HN 0.603 nan 8.370 nan 0.000 0.441 97 V N -4.621 115.280 119.914 -0.022 0.000 3.114 97 V HA 0.777 4.897 4.120 -0.001 0.000 0.308 97 V C -2.842 173.232 176.094 -0.034 0.000 1.168 97 V CA -2.360 59.927 62.300 -0.021 0.000 1.015 97 V CB 1.822 33.644 31.823 -0.002 0.000 1.050 97 V HN 0.629 nan 8.190 nan 0.000 0.433 98 P HA 0.272 nan 4.420 nan 0.000 0.268 98 P C -0.803 176.437 177.300 -0.099 0.000 1.205 98 P CA 0.219 63.279 63.100 -0.067 0.000 0.771 98 P CB 1.411 33.078 31.700 -0.055 0.000 0.858 99 V N 2.576 122.386 119.914 -0.173 0.000 2.733 99 V HA 0.785 4.904 4.120 -0.001 0.000 0.306 99 V C 0.297 176.019 176.094 -0.620 0.000 1.084 99 V CA 0.448 62.569 62.300 -0.298 0.000 0.905 99 V CB 1.739 33.450 31.823 -0.187 0.000 1.010 99 V HN 1.080 nan 8.190 nan 0.000 0.424 100 G N 3.862 112.097 108.800 -0.942 0.000 2.359 100 G HA2 0.039 3.998 3.960 -0.001 0.000 0.303 100 G HA3 0.039 3.998 3.960 -0.001 0.000 0.303 100 G C -0.041 174.481 174.900 -0.629 0.000 1.293 100 G CA -0.130 44.175 45.100 -1.326 0.000 0.964 100 G HN 0.552 nan 8.290 nan 0.000 0.531 101 E N -0.169 119.796 120.200 -0.392 0.000 2.478 101 E HA -0.014 4.336 4.350 -0.001 0.000 0.198 101 E C 1.747 178.337 176.600 -0.018 0.000 1.046 101 E CA 1.027 57.382 56.400 -0.074 0.000 0.870 101 E CB 0.182 29.885 29.700 0.004 0.000 0.818 101 E HN 0.526 nan 8.360 nan 0.000 0.527 102 E N 0.404 120.556 120.200 -0.080 0.000 2.347 102 E HA -0.082 4.267 4.350 -0.001 0.000 0.196 102 E C 1.617 178.209 176.600 -0.013 0.000 1.008 102 E CA 0.426 56.803 56.400 -0.038 0.000 0.852 102 E CB 0.033 29.697 29.700 -0.061 0.000 0.783 102 E HN 0.204 nan 8.360 nan 0.000 0.505 103 L N 0.168 121.383 121.223 -0.014 0.000 2.395 103 L HA 0.045 4.385 4.340 -0.001 0.000 0.218 103 L C 0.367 177.278 176.870 0.068 0.000 1.130 103 L CA -0.020 54.833 54.840 0.021 0.000 0.826 103 L CB -0.094 41.975 42.059 0.017 0.000 0.941 103 L HN 0.081 nan 8.230 nan 0.000 0.451 104 L N 0.434 121.720 121.223 0.105 0.000 2.499 104 L HA 0.124 4.463 4.340 -0.001 0.000 0.273 104 L C 1.374 178.291 176.870 0.079 0.000 1.195 104 L CA 0.686 55.607 54.840 0.136 0.000 0.882 104 L CB 0.022 42.210 42.059 0.214 0.000 1.133 104 L HN 0.336 nan 8.230 nan 0.000 0.483 105 G N 1.838 110.667 108.800 0.047 0.000 2.176 105 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.253 105 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.253 105 G C 0.171 175.076 174.900 0.008 0.000 0.979 105 G CA -0.448 44.657 45.100 0.008 0.000 0.641 105 G HN 0.461 nan 8.290 nan 0.000 0.530 106 R N -0.275 120.239 120.500 0.024 0.000 2.711 106 R HA 0.674 5.013 4.340 -0.001 0.000 0.284 106 R C -0.280 176.037 176.300 0.030 0.000 0.968 106 R CA -0.815 55.298 56.100 0.022 0.000 0.924 106 R CB 1.864 32.178 30.300 0.023 0.000 1.162 106 R HN 0.207 nan 8.270 nan 0.000 0.465 107 V N 3.193 123.122 119.914 0.026 0.000 2.370 107 V HA 0.395 4.514 4.120 -0.001 0.000 0.279 107 V C 0.420 176.537 176.094 0.039 0.000 1.029 107 V CA -0.721 61.602 62.300 0.038 0.000 0.870 107 V CB 1.272 33.115 31.823 0.032 0.000 0.984 107 V HN 0.590 nan 8.190 nan 0.000 0.451 108 V N 1.428 121.371 119.914 0.048 0.000 3.113 108 V HA 0.821 4.941 4.120 -0.001 0.000 0.316 108 V C -0.290 175.836 176.094 0.053 0.000 1.125 108 V CA -0.857 61.469 62.300 0.043 0.000 1.026 108 V CB 2.107 33.953 31.823 0.038 0.000 1.080 108 V HN 0.765 nan 8.190 nan 0.000 0.444 109 D N 1.639 122.069 120.400 0.051 0.000 2.469 109 D HA 0.470 5.109 4.640 -0.001 0.000 0.278 109 D C 1.165 177.505 176.300 0.068 0.000 1.231 109 D CA 0.037 54.074 54.000 0.062 0.000 1.075 109 D CB 0.791 41.629 40.800 0.063 0.000 1.121 109 D HN 0.837 nan 8.370 nan 0.000 0.571 110 A N -1.078 121.793 122.820 0.086 0.000 2.172 110 A HA 0.044 4.363 4.320 -0.001 0.000 0.216 110 A C 1.885 179.517 177.584 0.080 0.000 1.154 110 A CA 0.719 52.815 52.037 0.098 0.000 0.701 110 A CB -0.731 18.356 19.000 0.145 0.000 0.789 110 A HN 0.468 nan 8.150 nan 0.000 0.465 111 L N -1.902 119.356 121.223 0.058 0.000 2.959 111 L HA 0.339 4.679 4.340 -0.001 0.000 0.259 111 L C 1.386 178.264 176.870 0.014 0.000 1.185 111 L CA 0.422 55.275 54.840 0.022 0.000 0.998 111 L CB 0.367 42.425 42.059 -0.002 0.000 1.337 111 L HN 0.442 nan 8.230 nan 0.000 0.555 112 G N -0.025 108.790 108.800 0.025 0.000 2.148 112 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.254 112 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.254 112 G C 0.072 174.979 174.900 0.013 0.000 0.981 112 G CA -0.231 44.879 45.100 0.017 0.000 0.670 112 G HN 0.371 nan 8.290 nan 0.000 0.528 113 N N 1.046 119.757 118.700 0.019 0.000 2.497 113 N HA 0.486 5.225 4.740 -0.001 0.000 0.271 113 N C 0.629 176.152 175.510 0.021 0.000 1.142 113 N CA 0.678 53.738 53.050 0.017 0.000 0.965 113 N CB 1.283 39.782 38.487 0.021 0.000 1.077 113 N HN 0.695 nan 8.380 nan 0.000 0.462 114 A N 2.570 125.400 122.820 0.016 0.000 2.515 114 A HA 0.142 4.461 4.320 -0.001 0.000 0.263 114 A C 1.355 178.951 177.584 0.020 0.000 1.096 114 A CA -0.135 51.912 52.037 0.017 0.000 0.769 114 A CB -0.674 18.333 19.000 0.011 0.000 1.040 114 A HN 0.813 nan 8.150 nan 0.000 0.505 115 I N -0.369 120.216 120.570 0.024 0.000 4.025 115 I HA 0.239 4.408 4.170 -0.001 0.000 0.336 115 I C 0.323 176.453 176.117 0.021 0.000 1.390 115 I CA 0.015 61.331 61.300 0.026 0.000 1.099 115 I CB 0.369 38.389 38.000 0.034 0.000 1.049 115 I HN 0.456 nan 8.210 nan 0.000 0.394 116 D N 0.937 121.347 120.400 0.017 0.000 2.349 116 D HA 0.168 4.807 4.640 -0.001 0.000 0.214 116 D C 1.638 177.943 176.300 0.008 0.000 1.063 116 D CA 0.445 54.453 54.000 0.012 0.000 0.847 116 D CB 0.181 40.987 40.800 0.010 0.000 0.933 116 D HN 0.403 nan 8.370 nan 0.000 0.513 117 G N 0.893 109.699 108.800 0.009 0.000 2.155 117 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.257 117 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.257 117 G C 0.928 175.831 174.900 0.005 0.000 0.983 117 G CA 0.520 45.624 45.100 0.007 0.000 0.676 117 G HN 0.452 nan 8.290 nan 0.000 0.528 118 K N 0.039 120.442 120.400 0.005 0.000 2.367 118 K HA 0.445 4.765 4.320 -0.001 0.000 0.194 118 K C 1.250 177.852 176.600 0.003 0.000 1.027 118 K CA 0.565 56.854 56.287 0.003 0.000 1.075 118 K CB 0.555 33.057 32.500 0.003 0.000 0.845 118 K HN 1.430 nan 8.250 nan 0.000 0.529 119 G N 2.197 111.000 108.800 0.004 0.000 2.459 119 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.685 119 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.685 119 G C -3.010 171.892 174.900 0.002 0.000 1.303 119 G CA -1.373 43.729 45.100 0.003 0.000 0.907 119 G HN -0.160 nan 8.290 nan 0.000 0.632 120 P HA 0.328 nan 4.420 nan 0.000 0.266 120 P C 0.317 177.614 177.300 -0.005 0.000 1.193 120 P CA -0.308 62.791 63.100 -0.001 0.000 0.770 120 P CB 0.376 32.074 31.700 -0.003 0.000 0.836 121 I N 2.219 122.785 120.570 -0.008 0.000 2.337 121 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 121 I C 1.140 177.243 176.117 -0.023 0.000 1.046 121 I CA 0.206 61.498 61.300 -0.014 0.000 1.324 121 I CB 0.308 38.299 38.000 -0.015 0.000 1.409 121 I HN 0.411 nan 8.210 nan 0.000 0.494 122 G N 5.108 113.891 108.800 -0.027 0.000 3.428 122 G HA2 0.393 4.352 3.960 -0.001 0.000 0.344 122 G HA3 0.393 4.352 3.960 -0.001 0.000 0.344 122 G C 0.135 175.006 174.900 -0.048 0.000 1.256 122 G CA -0.304 44.777 45.100 -0.032 0.000 1.209 122 G HN 0.651 nan 8.290 nan 0.000 0.470 123 S N 0.813 116.473 115.700 -0.066 0.000 2.616 123 S HA 0.439 4.909 4.470 -0.001 0.000 0.277 123 S C 0.799 175.350 174.600 -0.082 0.000 1.234 123 S CA -0.754 57.387 58.200 -0.098 0.000 1.028 123 S CB 2.461 65.574 63.200 -0.145 0.000 0.988 123 S HN 0.226 nan 8.310 nan 0.000 0.522 124 K N 0.660 121.008 120.400 -0.086 0.000 2.426 124 K HA 0.411 4.730 4.320 -0.001 0.000 0.193 124 K C 0.369 176.933 176.600 -0.059 0.000 1.028 124 K CA 0.556 56.808 56.287 -0.058 0.000 1.047 124 K CB 0.310 32.785 32.500 -0.041 0.000 0.821 124 K HN 0.753 nan 8.250 nan 0.000 0.513 125 A N 0.494 123.258 122.820 -0.094 0.000 2.401 125 A HA 0.719 5.039 4.320 -0.001 0.000 0.310 125 A C -0.774 176.755 177.584 -0.091 0.000 1.075 125 A CA -0.895 51.096 52.037 -0.077 0.000 0.746 125 A CB 1.271 20.236 19.000 -0.059 0.000 1.277 125 A HN -0.034 nan 8.150 nan 0.000 0.425 126 R N 0.506 120.975 120.500 -0.052 0.000 2.888 126 R HA 0.726 5.065 4.340 -0.001 0.000 0.266 126 R C -0.853 175.434 176.300 -0.022 0.000 1.020 126 R CA -0.779 55.293 56.100 -0.045 0.000 0.963 126 R CB 2.364 32.643 30.300 -0.035 0.000 1.197 126 R HN 0.833 nan 8.270 nan 0.000 0.481 127 R N 0.693 121.184 120.500 -0.015 0.000 2.566 127 R HA 0.234 4.574 4.340 -0.001 0.000 0.271 127 R C -0.759 175.543 176.300 0.003 0.000 1.071 127 R CA -0.730 55.373 56.100 0.005 0.000 0.915 127 R CB 2.515 32.830 30.300 0.026 0.000 1.228 127 R HN 0.594 nan 8.270 nan 0.000 0.449 128 R N 2.220 122.723 120.500 0.005 0.000 2.679 128 R HA 0.024 4.363 4.340 -0.001 0.000 0.268 128 R C 0.921 177.226 176.300 0.008 0.000 1.044 128 R CA 0.485 56.584 56.100 -0.001 0.000 1.105 128 R CB 0.883 31.181 30.300 -0.003 0.000 0.989 128 R HN 0.540 nan 8.270 nan 0.000 0.447 129 V N 1.674 121.586 119.914 -0.003 0.000 2.878 129 V HA 0.237 4.356 4.120 -0.001 0.000 0.250 129 V C 1.078 177.163 176.094 -0.016 0.000 1.075 129 V CA 1.393 63.701 62.300 0.013 0.000 1.096 129 V CB 0.159 31.992 31.823 0.017 0.000 0.724 129 V HN 0.798 nan 8.190 nan 0.000 0.467 130 G N 0.826 109.589 108.800 -0.062 0.000 3.702 130 G HA2 0.432 4.391 3.960 -0.001 0.000 0.288 130 G HA3 0.432 4.391 3.960 -0.001 0.000 0.288 130 G C 0.170 175.038 174.900 -0.054 0.000 1.193 130 G CA -0.420 44.611 45.100 -0.115 0.000 0.952 130 G HN 0.456 nan 8.290 nan 0.000 0.544 131 L N 0.497 121.713 121.223 -0.011 0.000 2.426 131 L HA 0.270 4.609 4.340 -0.001 0.000 0.271 131 L C 0.860 177.738 176.870 0.013 0.000 1.169 131 L CA -0.413 54.432 54.840 0.008 0.000 0.836 131 L CB 1.050 43.123 42.059 0.023 0.000 1.112 131 L HN 0.035 nan 8.230 nan 0.000 0.465 132 K N 2.079 122.489 120.400 0.018 0.000 2.295 132 K HA 0.410 4.729 4.320 -0.001 0.000 0.270 132 K C -0.090 176.523 176.600 0.022 0.000 1.011 132 K CA -0.450 55.851 56.287 0.024 0.000 0.953 132 K CB 0.958 33.478 32.500 0.034 0.000 0.956 132 K HN 0.666 nan 8.250 nan 0.000 0.477 133 A N 4.778 127.609 122.820 0.020 0.000 2.520 133 A HA 0.196 4.515 4.320 -0.001 0.000 0.235 133 A C -2.132 175.447 177.584 -0.008 0.000 1.065 133 A CA -0.970 51.073 52.037 0.009 0.000 0.764 133 A CB -0.556 18.449 19.000 0.008 0.000 1.002 133 A HN 0.591 nan 8.150 nan 0.000 0.502 134 P HA 0.241 nan 4.420 nan 0.000 0.266 134 P C 0.747 178.003 177.300 -0.073 0.000 1.195 134 P CA 0.532 63.584 63.100 -0.081 0.000 0.768 134 P CB 0.569 32.184 31.700 -0.143 0.000 0.838 135 G N 1.263 110.016 108.800 -0.079 0.000 2.485 135 G HA2 0.121 4.080 3.960 -0.001 0.000 0.260 135 G HA3 0.121 4.080 3.960 -0.001 0.000 0.260 135 G C 1.077 175.934 174.900 -0.072 0.000 1.459 135 G CA -0.589 44.479 45.100 -0.053 0.000 1.060 135 G HN 0.415 nan 8.290 nan 0.000 0.546 136 I N -0.042 120.500 120.570 -0.047 0.000 2.179 136 I HA -0.141 4.028 4.170 -0.001 0.000 0.242 136 I C 2.563 178.640 176.117 -0.066 0.000 1.088 136 I CA 0.716 61.990 61.300 -0.043 0.000 1.357 136 I CB -0.132 37.857 38.000 -0.019 0.000 1.051 136 I HN 0.239 nan 8.210 nan 0.000 0.409 137 I N 0.893 121.422 120.570 -0.068 0.000 2.202 137 I HA -0.141 4.028 4.170 -0.001 0.000 0.242 137 I C -0.271 175.759 176.117 -0.146 0.000 1.091 137 I CA 1.664 62.929 61.300 -0.058 0.000 1.368 137 I CB -2.712 35.289 38.000 0.002 0.000 1.058 137 I HN 0.148 nan 8.210 nan 0.000 0.410 138 P HA -0.063 nan 4.420 nan 0.000 0.236 138 P C 0.328 177.359 177.300 -0.449 0.000 1.172 138 P CA 0.950 63.520 63.100 -0.884 0.000 0.759 138 P CB 0.022 30.904 31.700 -1.363 0.000 0.843 139 R N -0.536 119.829 120.500 -0.223 0.000 2.674 139 R HA 0.661 5.000 4.340 -0.001 0.000 0.266 139 R C -0.465 175.802 176.300 -0.054 0.000 1.016 139 R CA -0.859 55.169 56.100 -0.120 0.000 1.062 139 R CB 1.029 31.276 30.300 -0.089 0.000 1.142 139 R HN -0.083 nan 8.270 nan 0.000 0.517 140 I N -0.668 119.886 120.570 -0.027 0.000 2.913 140 I HA 0.167 4.336 4.170 -0.001 0.000 0.302 140 I C -0.665 175.449 176.117 -0.005 0.000 1.246 140 I CA -0.181 61.115 61.300 -0.006 0.000 1.010 140 I CB 2.531 40.538 38.000 0.011 0.000 1.259 140 I HN 0.511 nan 8.210 nan 0.000 0.434 141 S N 3.237 118.935 115.700 -0.003 0.000 2.558 141 S HA 0.177 4.646 4.470 -0.001 0.000 0.293 141 S C -0.291 174.306 174.600 -0.005 0.000 1.292 141 S CA -0.507 57.690 58.200 -0.004 0.000 1.063 141 S CB 0.242 63.440 63.200 -0.003 0.000 0.831 141 S HN 0.393 nan 8.310 nan 0.000 0.499 142 V N 5.185 125.095 119.914 -0.007 0.000 2.493 142 V HA 0.075 4.195 4.120 -0.001 0.000 0.292 142 V C 1.398 177.481 176.094 -0.019 0.000 1.016 142 V CA 0.701 62.993 62.300 -0.013 0.000 1.097 142 V CB -0.261 31.554 31.823 -0.013 0.000 0.947 142 V HN 1.002 nan 8.190 nan 0.000 0.479 143 R N 2.219 122.702 120.500 -0.028 0.000 2.580 143 R HA 0.305 4.644 4.340 -0.001 0.000 0.285 143 R C -0.078 176.190 176.300 -0.053 0.000 0.947 143 R CA -0.471 55.609 56.100 -0.032 0.000 1.102 143 R CB 0.584 30.871 30.300 -0.022 0.000 1.696 143 R HN 0.615 nan 8.270 nan 0.000 0.506 144 E N 3.263 123.417 120.200 -0.078 0.000 2.175 144 E HA 0.341 4.690 4.350 -0.001 0.000 0.278 144 E C -2.594 173.926 176.600 -0.133 0.000 0.969 144 E CA -2.487 53.839 56.400 -0.124 0.000 0.796 144 E CB 1.672 31.258 29.700 -0.191 0.000 1.104 144 E HN -0.046 nan 8.360 nan 0.000 0.395 145 P HA 0.000 nan 4.420 nan 0.000 0.271 145 P C -0.646 176.548 177.300 -0.176 0.000 1.220 145 P CA -0.003 63.020 63.100 -0.127 0.000 0.768 145 P CB 0.409 32.044 31.700 -0.109 0.000 0.848 146 M N 4.150 123.673 119.600 -0.127 0.000 2.289 146 M HA 0.136 4.615 4.480 -0.001 0.000 0.354 146 M C -0.532 175.728 176.300 -0.068 0.000 1.210 146 M CA -0.427 54.798 55.300 -0.125 0.000 1.174 146 M CB 0.068 32.614 32.600 -0.089 0.000 1.297 146 M HN 0.314 nan 8.290 nan 0.000 0.423 147 Q N 2.457 122.222 119.800 -0.059 0.000 2.297 147 Q HA 0.146 4.486 4.340 -0.001 0.000 0.267 147 Q C 1.253 177.292 176.000 0.064 0.000 1.006 147 Q CA 0.207 56.030 55.803 0.033 0.000 0.896 147 Q CB 0.670 29.484 28.738 0.127 0.000 1.186 147 Q HN 0.734 nan 8.270 nan 0.000 0.392 148 T N -1.582 112.998 114.554 0.043 0.000 3.035 148 T HA 0.137 4.486 4.350 -0.001 0.000 0.259 148 T C 1.259 175.985 174.700 0.043 0.000 1.078 148 T CA 0.552 62.676 62.100 0.041 0.000 1.132 148 T CB 0.114 68.996 68.868 0.024 0.000 0.900 148 T HN 0.821 nan 8.240 nan 0.000 0.480 149 G N 1.551 110.376 108.800 0.042 0.000 2.162 149 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.260 149 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.260 149 G C 0.028 174.934 174.900 0.011 0.000 0.976 149 G CA 0.183 45.299 45.100 0.026 0.000 0.655 149 G HN 0.670 nan 8.290 nan 0.000 0.533 150 I N 0.767 121.344 120.570 0.010 0.000 2.307 150 I HA 0.251 4.421 4.170 -0.001 0.000 0.289 150 I C 1.591 177.710 176.117 0.004 0.000 1.021 150 I CA -0.744 60.556 61.300 0.000 0.000 1.224 150 I CB 1.297 39.295 38.000 -0.003 0.000 1.376 150 I HN -0.014 nan 8.210 nan 0.000 0.470 151 K N 4.261 124.662 120.400 0.002 0.000 2.034 151 K HA -0.255 4.065 4.320 -0.001 0.000 0.214 151 K C 2.103 178.707 176.600 0.006 0.000 1.051 151 K CA 2.039 58.330 56.287 0.007 0.000 0.931 151 K CB -0.156 32.347 32.500 0.006 0.000 0.715 151 K HN 0.809 nan 8.250 nan 0.000 0.446 152 A N 0.802 123.623 122.820 0.001 0.000 1.902 152 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 152 A C 2.378 179.967 177.584 0.009 0.000 1.181 152 A CA 1.609 53.648 52.037 0.003 0.000 0.623 152 A CB -0.596 18.403 19.000 -0.001 0.000 0.818 152 A HN 0.097 nan 8.150 nan 0.000 0.443 153 V N 0.459 120.378 119.914 0.009 0.000 2.255 153 V HA -0.194 3.926 4.120 -0.001 0.000 0.243 153 V C 2.134 178.235 176.094 0.011 0.000 1.038 153 V CA 2.177 64.485 62.300 0.012 0.000 1.008 153 V CB -0.854 30.976 31.823 0.012 0.000 0.645 153 V HN 0.467 nan 8.190 nan 0.000 0.449 154 D N 0.492 120.898 120.400 0.011 0.000 2.178 154 D HA -0.121 4.518 4.640 -0.001 0.000 0.201 154 D C 2.394 178.700 176.300 0.010 0.000 0.980 154 D CA 1.773 55.780 54.000 0.011 0.000 0.842 154 D CB -0.166 40.644 40.800 0.015 0.000 0.948 154 D HN 0.608 nan 8.370 nan 0.000 0.472 155 S N -0.718 114.989 115.700 0.011 0.000 2.404 155 S HA 0.065 4.535 4.470 -0.001 0.000 0.223 155 S C 2.018 176.624 174.600 0.010 0.000 1.040 155 S CA 0.164 58.371 58.200 0.011 0.000 0.957 155 S CB -0.215 62.992 63.200 0.011 0.000 0.826 155 S HN 0.186 nan 8.310 nan 0.000 0.491 156 L N 1.263 122.493 121.223 0.011 0.000 2.316 156 L HA 0.334 4.673 4.340 -0.001 0.000 0.207 156 L C 0.520 177.400 176.870 0.017 0.000 1.070 156 L CA 0.306 55.154 54.840 0.014 0.000 0.820 156 L CB 0.445 42.514 42.059 0.018 0.000 0.992 156 L HN 0.387 nan 8.230 nan 0.000 0.466 157 V N -2.414 117.510 119.914 0.017 0.000 2.405 157 V HA 0.424 4.543 4.120 -0.001 0.000 0.253 157 V C -2.725 173.376 176.094 0.012 0.000 0.963 157 V CA -1.810 60.500 62.300 0.018 0.000 1.003 157 V CB 0.029 31.867 31.823 0.026 0.000 1.251 157 V HN -0.082 nan 8.190 nan 0.000 0.520 158 P HA 0.401 nan 4.420 nan 0.000 0.271 158 P C -0.312 176.986 177.300 -0.005 0.000 1.216 158 P CA 0.207 63.307 63.100 0.000 0.000 0.776 158 P CB 1.587 33.285 31.700 -0.003 0.000 0.881 159 I N 1.639 122.203 120.570 -0.010 0.000 2.377 159 I HA 0.480 4.649 4.170 -0.001 0.000 0.293 159 I C 1.098 177.195 176.117 -0.033 0.000 0.987 159 I CA -0.483 60.807 61.300 -0.016 0.000 1.185 159 I CB 1.857 39.849 38.000 -0.013 0.000 1.341 159 I HN 0.337 nan 8.210 nan 0.000 0.455 160 G N 4.788 113.567 108.800 -0.035 0.000 2.509 160 G HA2 0.541 4.500 3.960 -0.001 0.000 0.328 160 G HA3 0.541 4.500 3.960 -0.001 0.000 0.328 160 G C -0.520 174.347 174.900 -0.056 0.000 1.194 160 G CA -0.888 44.181 45.100 -0.052 0.000 0.967 160 G HN 0.530 nan 8.290 nan 0.000 0.488 161 R N -0.192 120.260 120.500 -0.080 0.000 2.316 161 R HA 0.425 4.764 4.340 -0.001 0.000 0.314 161 R C 1.028 177.319 176.300 -0.014 0.000 1.069 161 R CA 0.888 56.947 56.100 -0.067 0.000 0.959 161 R CB 0.832 31.041 30.300 -0.152 0.000 0.987 161 R HN 1.075 nan 8.270 nan 0.000 0.446 162 G N 1.818 110.623 108.800 0.009 0.000 2.195 162 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.224 162 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.224 162 G C 0.167 175.072 174.900 0.007 0.000 0.990 162 G CA -0.194 44.917 45.100 0.018 0.000 0.639 162 G HN 0.573 nan 8.290 nan 0.000 0.514 163 Q N 0.102 119.901 119.800 -0.002 0.000 2.312 163 Q HA 0.668 5.008 4.340 -0.001 0.000 0.236 163 Q C -0.100 175.901 176.000 0.002 0.000 0.965 163 Q CA -0.523 55.279 55.803 -0.002 0.000 0.894 163 Q CB 0.449 29.182 28.738 -0.007 0.000 1.225 163 Q HN 0.307 nan 8.270 nan 0.000 0.478 164 R N 1.969 122.472 120.500 0.006 0.000 2.343 164 R HA 0.329 4.668 4.340 -0.001 0.000 0.320 164 R C -1.393 174.911 176.300 0.007 0.000 0.956 164 R CA -0.518 55.587 56.100 0.009 0.000 0.836 164 R CB 1.617 31.926 30.300 0.014 0.000 1.151 164 R HN 0.476 nan 8.270 nan 0.000 0.450 165 E N 2.797 123.000 120.200 0.006 0.000 2.255 165 E HA 0.268 4.617 4.350 -0.001 0.000 0.256 165 E C -1.431 175.176 176.600 0.011 0.000 0.887 165 E CA -0.875 55.530 56.400 0.009 0.000 0.782 165 E CB 0.914 30.619 29.700 0.008 0.000 1.214 165 E HN 0.392 nan 8.360 nan 0.000 0.417 166 L N 5.235 126.466 121.223 0.012 0.000 2.426 166 L HA 0.425 4.764 4.340 -0.001 0.000 0.271 166 L C -0.932 175.957 176.870 0.031 0.000 1.169 166 L CA 0.351 55.199 54.840 0.012 0.000 0.836 166 L CB 0.461 42.521 42.059 0.003 0.000 1.112 166 L HN 0.656 nan 8.230 nan 0.000 0.465 167 I N 6.738 127.326 120.570 0.031 0.000 2.355 167 I HA 0.432 4.601 4.170 -0.001 0.000 0.288 167 I C -0.394 175.761 176.117 0.063 0.000 0.999 167 I CA -0.201 61.129 61.300 0.050 0.000 1.163 167 I CB 1.383 39.407 38.000 0.040 0.000 1.316 167 I HN 0.565 nan 8.210 nan 0.000 0.454 168 I N 5.206 125.844 120.570 0.114 0.000 2.686 168 I HA 0.900 5.069 4.170 -0.001 0.000 0.295 168 I C -0.391 175.873 176.117 0.246 0.000 1.114 168 I CA 0.012 61.407 61.300 0.158 0.000 1.038 168 I CB 2.077 40.165 38.000 0.147 0.000 1.238 168 I HN 0.704 nan 8.210 nan 0.000 0.420 169 G N 4.802 113.720 108.800 0.197 0.000 2.316 169 G HA2 0.161 4.120 3.960 -0.001 0.000 0.296 169 G HA3 0.161 4.120 3.960 -0.001 0.000 0.296 169 G C -1.965 172.990 174.900 0.092 0.000 1.399 169 G CA -0.822 44.373 45.100 0.157 0.000 0.833 169 G HN 0.506 nan 8.290 nan 0.000 0.565 170 D N 0.365 120.798 120.400 0.055 0.000 2.363 170 D HA 0.332 4.972 4.640 -0.001 0.000 0.240 170 D C 1.290 177.583 176.300 -0.011 0.000 1.236 170 D CA -0.040 53.979 54.000 0.032 0.000 0.927 170 D CB 0.427 41.240 40.800 0.022 0.000 1.150 170 D HN 0.684 nan 8.370 nan 0.000 0.458 171 R N 0.746 121.243 120.500 -0.005 0.000 2.619 171 R HA -0.057 4.282 4.340 -0.001 0.000 0.268 171 R C -0.094 176.154 176.300 -0.086 0.000 0.990 171 R CA -0.075 56.010 56.100 -0.025 0.000 1.092 171 R CB -0.046 30.252 30.300 -0.004 0.000 0.935 171 R HN 0.246 nan 8.270 nan 0.000 0.415 172 Q N 0.091 119.826 119.800 -0.109 0.000 2.453 172 Q HA -0.170 4.169 4.340 -0.001 0.000 0.294 172 Q C 0.358 176.096 176.000 -0.437 0.000 1.295 172 Q CA 1.751 57.427 55.803 -0.212 0.000 0.853 172 Q CB -1.647 26.987 28.738 -0.174 0.000 1.193 172 Q HN 1.013 nan 8.270 nan 0.000 0.461 173 T N -5.379 108.981 114.554 -0.324 0.000 3.040 173 T HA 0.428 4.777 4.350 -0.001 0.000 0.250 173 T C 1.174 175.758 174.700 -0.192 0.000 1.058 173 T CA 0.830 62.707 62.100 -0.372 0.000 0.988 173 T CB 1.032 69.777 68.868 -0.204 0.000 0.993 173 T HN 0.816 nan 8.240 nan 0.000 0.519 174 G N 1.503 110.231 108.800 -0.120 0.000 2.145 174 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.145 174 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.145 174 G C 0.653 175.559 174.900 0.010 0.000 1.017 174 G CA 0.116 45.219 45.100 0.004 0.000 0.682 174 G HN 0.462 nan 8.290 nan 0.000 0.504 175 K N -0.230 120.171 120.400 0.001 0.000 1.984 175 K HA -0.043 4.276 4.320 -0.001 0.000 0.209 175 K C 2.565 179.195 176.600 0.050 0.000 1.046 175 K CA 1.851 58.154 56.287 0.025 0.000 0.934 175 K CB -0.372 32.144 32.500 0.028 0.000 0.717 175 K HN 0.262 nan 8.250 nan 0.000 0.438 176 T N 1.231 115.825 114.554 0.066 0.000 2.720 176 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 176 T C 2.092 176.839 174.700 0.077 0.000 1.037 176 T CA 1.636 63.801 62.100 0.108 0.000 1.144 176 T CB -0.247 68.692 68.868 0.120 0.000 0.864 176 T HN 0.150 nan 8.240 nan 0.000 0.444 177 S N 0.929 116.655 115.700 0.045 0.000 2.400 177 S HA -0.048 4.421 4.470 -0.001 0.000 0.232 177 S C 2.003 176.604 174.600 0.001 0.000 1.025 177 S CA 0.662 58.869 58.200 0.011 0.000 0.993 177 S CB -0.352 62.828 63.200 -0.032 0.000 0.808 177 S HN 0.369 nan 8.310 nan 0.000 0.478 178 I N 1.809 122.389 120.570 0.017 0.000 2.179 178 I HA -0.169 4.001 4.170 -0.001 0.000 0.242 178 I C 2.732 178.871 176.117 0.037 0.000 1.088 178 I CA 1.395 62.706 61.300 0.018 0.000 1.357 178 I CB -1.700 36.313 38.000 0.023 0.000 1.051 178 I HN 0.253 nan 8.210 nan 0.000 0.409 179 A N 1.112 123.969 122.820 0.062 0.000 1.902 179 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 179 A C 2.217 179.849 177.584 0.080 0.000 1.181 179 A CA 1.227 53.316 52.037 0.086 0.000 0.623 179 A CB -0.509 18.581 19.000 0.151 0.000 0.818 179 A HN 0.254 nan 8.150 nan 0.000 0.443 180 I N 0.534 121.141 120.570 0.062 0.000 2.202 180 I HA -0.181 3.988 4.170 -0.001 0.000 0.242 180 I C 1.857 178.018 176.117 0.073 0.000 1.091 180 I CA 1.589 62.917 61.300 0.047 0.000 1.368 180 I CB -1.631 36.406 38.000 0.062 0.000 1.058 180 I HN 0.249 nan 8.210 nan 0.000 0.410 181 D N 0.435 120.870 120.400 0.059 0.000 2.149 181 D HA -0.146 4.493 4.640 -0.001 0.000 0.198 181 D C 2.189 178.522 176.300 0.056 0.000 0.990 181 D CA 1.474 55.503 54.000 0.049 0.000 0.839 181 D CB -0.064 40.734 40.800 -0.004 0.000 0.948 181 D HN 0.264 nan 8.370 nan 0.000 0.460 182 T N 0.244 114.831 114.554 0.055 0.000 2.737 182 T HA -0.066 4.283 4.350 -0.001 0.000 0.265 182 T C 2.160 176.913 174.700 0.088 0.000 1.038 182 T CA 0.616 62.753 62.100 0.062 0.000 1.144 182 T CB -0.185 68.713 68.868 0.049 0.000 0.866 182 T HN 0.163 nan 8.240 nan 0.000 0.434 183 I N 0.800 121.432 120.570 0.103 0.000 2.127 183 I HA -0.153 4.016 4.170 -0.001 0.000 0.241 183 I C 2.275 178.527 176.117 0.225 0.000 1.075 183 I CA 1.449 62.847 61.300 0.163 0.000 1.334 183 I CB -0.487 37.584 38.000 0.119 0.000 1.040 183 I HN 0.196 nan 8.210 nan 0.000 0.405 184 I N 0.889 121.546 120.570 0.145 0.000 2.335 184 I HA -0.315 3.854 4.170 -0.001 0.000 0.251 184 I C 2.214 178.400 176.117 0.115 0.000 1.129 184 I CA 1.394 62.777 61.300 0.139 0.000 1.402 184 I CB -0.615 37.441 38.000 0.093 0.000 1.069 184 I HN 0.329 nan 8.210 nan 0.000 0.424 185 N N 0.664 119.412 118.700 0.081 0.000 2.289 185 N HA -0.196 4.543 4.740 -0.001 0.000 0.184 185 N C 1.760 177.252 175.510 -0.030 0.000 1.016 185 N CA 1.107 54.172 53.050 0.025 0.000 0.872 185 N CB 0.057 38.580 38.487 0.059 0.000 0.973 185 N HN 0.266 nan 8.380 nan 0.000 0.433 186 Q N 0.129 119.941 119.800 0.021 0.000 2.435 186 Q HA -0.039 4.301 4.340 -0.001 0.000 0.207 186 Q C 1.589 177.400 176.000 -0.315 0.000 0.956 186 Q CA 0.426 56.200 55.803 -0.049 0.000 0.917 186 Q CB -0.115 28.506 28.738 -0.195 0.000 0.997 186 Q HN 0.497 nan 8.270 nan 0.000 0.497 187 K N 1.335 121.614 120.400 -0.201 0.000 2.103 187 K HA -0.168 4.151 4.320 -0.001 0.000 0.207 187 K C 2.047 178.511 176.600 -0.228 0.000 1.048 187 K CA 1.024 57.243 56.287 -0.114 0.000 0.930 187 K CB 0.040 32.592 32.500 0.086 0.000 0.716 187 K HN 0.026 nan 8.250 nan 0.000 0.444 188 R N -0.501 119.761 120.500 -0.397 0.000 2.117 188 R HA -0.162 4.178 4.340 -0.001 0.000 0.243 188 R C 1.937 177.940 176.300 -0.495 0.000 1.143 188 R CA 2.030 57.816 56.100 -0.524 0.000 0.968 188 R CB -0.167 29.643 30.300 -0.817 0.000 0.863 188 R HN 0.222 nan 8.270 nan 0.000 0.444 189 F N -0.511 119.347 119.950 -0.154 0.000 2.317 189 F HA 0.084 4.610 4.527 -0.001 0.000 0.293 189 F C 1.987 177.672 175.800 -0.191 0.000 1.085 189 F CA -0.007 57.896 58.000 -0.161 0.000 1.390 189 F CB -0.192 38.698 39.000 -0.184 0.000 1.077 189 F HN -0.037 nan 8.300 nan 0.000 0.517 190 N N 0.297 118.921 118.700 -0.127 0.000 2.331 190 N HA -0.121 4.618 4.740 -0.001 0.000 0.180 190 N C 1.030 176.489 175.510 -0.085 0.000 1.019 190 N CA 1.033 53.954 53.050 -0.215 0.000 0.881 190 N CB -0.449 37.731 38.487 -0.511 0.000 0.972 190 N HN 0.230 nan 8.380 nan 0.000 0.435 191 D N 0.240 120.603 120.400 -0.062 0.000 2.269 191 D HA 0.003 4.642 4.640 -0.001 0.000 0.208 191 D C 1.329 177.624 176.300 -0.008 0.000 0.963 191 D CA 0.446 54.435 54.000 -0.019 0.000 0.864 191 D CB -0.218 40.565 40.800 -0.028 0.000 0.936 191 D HN 0.175 nan 8.370 nan 0.000 0.505 192 G N -0.135 108.659 108.800 -0.009 0.000 2.516 192 G HA2 0.255 4.214 3.960 -0.001 0.000 0.276 192 G HA3 0.255 4.214 3.960 -0.001 0.000 0.276 192 G C 0.861 175.774 174.900 0.023 0.000 1.390 192 G CA 0.467 45.572 45.100 0.009 0.000 1.050 192 G HN 0.189 nan 8.290 nan 0.000 0.519 193 T N -3.170 111.401 114.554 0.029 0.000 3.043 193 T HA 0.168 4.518 4.350 -0.001 0.000 0.272 193 T C -0.016 174.709 174.700 0.041 0.000 0.990 193 T CA -0.018 62.104 62.100 0.036 0.000 0.897 193 T CB 0.498 69.385 68.868 0.030 0.000 1.111 193 T HN 0.308 nan 8.240 nan 0.000 0.529 194 D N 1.674 122.098 120.400 0.040 0.000 2.380 194 D HA 0.293 4.933 4.640 -0.001 0.000 0.230 194 D C 0.746 177.077 176.300 0.053 0.000 1.154 194 D CA -0.272 53.753 54.000 0.042 0.000 0.859 194 D CB 1.476 42.296 40.800 0.034 0.000 1.045 194 D HN 0.084 nan 8.370 nan 0.000 0.495 195 E N 1.990 122.233 120.200 0.071 0.000 2.274 195 E HA -0.055 4.295 4.350 -0.001 0.000 0.194 195 E C 1.275 177.953 176.600 0.131 0.000 0.996 195 E CA 0.847 57.311 56.400 0.107 0.000 0.840 195 E CB 0.224 29.993 29.700 0.115 0.000 0.772 195 E HN 0.417 nan 8.360 nan 0.000 0.491 196 K N -0.079 120.388 120.400 0.112 0.000 2.459 196 K HA 0.015 4.334 4.320 -0.001 0.000 0.193 196 K C 1.627 178.278 176.600 0.084 0.000 1.030 196 K CA 0.485 56.878 56.287 0.177 0.000 1.026 196 K CB 0.211 32.786 32.500 0.126 0.000 0.809 196 K HN -0.081 nan 8.250 nan 0.000 0.504 197 K N 0.853 121.251 120.400 -0.004 0.000 2.360 197 K HA 0.069 4.388 4.320 -0.001 0.000 0.196 197 K C -0.146 176.336 176.600 -0.197 0.000 1.049 197 K CA 0.050 56.244 56.287 -0.155 0.000 1.049 197 K CB 0.558 32.995 32.500 -0.104 0.000 0.881 197 K HN -0.086 nan 8.250 nan 0.000 0.542 198 K N 0.910 121.268 120.400 -0.069 0.000 2.276 198 K HA 0.117 4.436 4.320 -0.001 0.000 0.259 198 K C -0.791 175.688 176.600 -0.203 0.000 1.001 198 K CA -0.170 56.019 56.287 -0.162 0.000 0.927 198 K CB 0.701 33.079 32.500 -0.203 0.000 0.969 198 K HN -0.099 nan 8.250 nan 0.000 0.490 199 L N 2.956 123.960 121.223 -0.365 0.000 2.491 199 L HA 0.290 4.629 4.340 -0.001 0.000 0.267 199 L C -1.746 174.874 176.870 -0.417 0.000 0.971 199 L CA -0.357 54.319 54.840 -0.273 0.000 0.857 199 L CB 0.831 42.778 42.059 -0.187 0.000 1.226 199 L HN 0.443 nan 8.230 nan 0.000 0.408 200 Y N 3.292 123.445 120.300 -0.244 0.000 2.304 200 Y HA 0.494 5.043 4.550 -0.001 0.000 0.328 200 Y C 0.457 176.220 175.900 -0.229 0.000 1.123 200 Y CA -0.094 57.818 58.100 -0.314 0.000 1.218 200 Y CB 1.053 39.003 38.460 -0.849 0.000 1.207 200 Y HN 0.511 nan 8.280 nan 0.000 0.495 201 C N 4.666 124.028 119.300 0.103 0.000 2.411 201 C HA 0.705 5.165 4.460 -0.001 0.000 0.330 201 C C -0.103 174.938 174.990 0.084 0.000 1.224 201 C CA -1.148 57.926 59.018 0.094 0.000 1.770 201 C CB 0.175 28.022 27.740 0.178 0.000 2.297 201 C HN 0.650 nan 8.230 nan 0.000 0.507 202 I N 2.232 122.835 120.570 0.055 0.000 2.478 202 I HA 0.253 4.422 4.170 -0.001 0.000 0.287 202 I C -1.146 175.004 176.117 0.055 0.000 1.042 202 I CA -0.441 60.895 61.300 0.060 0.000 1.067 202 I CB 1.134 39.156 38.000 0.036 0.000 1.233 202 I HN 0.623 nan 8.210 nan 0.000 0.431 203 Y N 7.192 127.475 120.300 -0.027 0.000 2.369 203 Y HA 0.561 5.110 4.550 -0.001 0.000 0.337 203 Y C -0.695 175.196 175.900 -0.015 0.000 0.961 203 Y CA -0.677 57.402 58.100 -0.035 0.000 1.186 203 Y CB 1.149 39.600 38.460 -0.014 0.000 1.139 203 Y HN 0.262 nan 8.280 nan 0.000 0.494 204 V N 6.444 126.106 119.914 -0.418 0.000 2.333 204 V HA 0.609 4.728 4.120 -0.001 0.000 0.274 204 V C 0.106 175.944 176.094 -0.426 0.000 1.028 204 V CA -0.703 61.441 62.300 -0.261 0.000 0.851 204 V CB 0.655 32.441 31.823 -0.060 0.000 1.000 204 V HN 0.917 nan 8.190 nan 0.000 0.456 205 A N 6.752 129.445 122.820 -0.213 0.000 2.260 205 A HA 0.836 5.156 4.320 -0.001 0.000 0.308 205 A C -0.602 176.974 177.584 -0.014 0.000 1.254 205 A CA -0.292 51.688 52.037 -0.094 0.000 0.874 205 A CB 0.034 19.107 19.000 0.122 0.000 1.153 205 A HN 0.753 nan 8.150 nan 0.000 0.527 206 I N 2.062 122.625 120.570 -0.012 0.000 2.382 206 I HA 0.563 4.732 4.170 -0.001 0.000 0.286 206 I C 1.115 177.258 176.117 0.043 0.000 1.002 206 I CA 0.511 61.825 61.300 0.023 0.000 1.135 206 I CB 1.773 39.783 38.000 0.015 0.000 1.288 206 I HN 0.979 nan 8.210 nan 0.000 0.448 207 G N 3.586 112.420 108.800 0.056 0.000 2.184 207 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.264 207 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.264 207 G C 0.347 175.282 174.900 0.058 0.000 0.975 207 G CA -0.148 44.988 45.100 0.059 0.000 0.642 207 G HN 0.587 nan 8.290 nan 0.000 0.536 208 Q N 0.146 119.984 119.800 0.062 0.000 2.396 208 Q HA 0.453 4.792 4.340 -0.001 0.000 0.221 208 Q C 0.780 176.816 176.000 0.060 0.000 1.025 208 Q CA 0.133 55.977 55.803 0.067 0.000 0.946 208 Q CB 0.499 29.291 28.738 0.090 0.000 1.224 208 Q HN 0.632 nan 8.270 nan 0.000 0.539 209 K N 0.042 120.475 120.400 0.056 0.000 2.144 209 K HA 0.256 4.575 4.320 -0.001 0.000 0.270 209 K C 0.348 176.978 176.600 0.049 0.000 1.005 209 K CA -0.532 55.783 56.287 0.047 0.000 0.932 209 K CB 1.196 33.720 32.500 0.039 0.000 1.021 209 K HN 0.410 nan 8.250 nan 0.000 0.462 210 R N 0.753 121.279 120.500 0.043 0.000 2.105 210 R HA -0.174 4.165 4.340 -0.001 0.000 0.239 210 R C 2.216 178.537 176.300 0.035 0.000 1.135 210 R CA 2.191 58.316 56.100 0.042 0.000 0.967 210 R CB -0.409 29.913 30.300 0.036 0.000 0.861 210 R HN 0.936 nan 8.270 nan 0.000 0.442 211 S N -0.307 115.411 115.700 0.029 0.000 2.399 211 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 211 S C 1.918 176.531 174.600 0.022 0.000 1.022 211 S CA 1.600 59.813 58.200 0.022 0.000 0.983 211 S CB -0.376 62.836 63.200 0.019 0.000 0.803 211 S HN 0.193 nan 8.310 nan 0.000 0.480 212 T N 2.466 117.039 114.554 0.032 0.000 2.737 212 T HA -0.000 4.349 4.350 -0.001 0.000 0.265 212 T C 1.921 176.641 174.700 0.034 0.000 1.038 212 T CA 1.430 63.551 62.100 0.036 0.000 1.144 212 T CB -0.556 68.343 68.868 0.051 0.000 0.866 212 T HN 0.317 nan 8.240 nan 0.000 0.434 213 V N 1.819 121.765 119.914 0.053 0.000 2.407 213 V HA -0.149 3.970 4.120 -0.001 0.000 0.248 213 V C 2.862 178.965 176.094 0.014 0.000 1.055 213 V CA 1.585 63.920 62.300 0.059 0.000 1.049 213 V CB -1.248 30.631 31.823 0.093 0.000 0.662 213 V HN 0.512 nan 8.190 nan 0.000 0.455 214 A N -0.480 122.347 122.820 0.011 0.000 1.898 214 A HA -0.265 4.055 4.320 -0.001 0.000 0.216 214 A C 2.197 179.767 177.584 -0.024 0.000 1.181 214 A CA 1.976 54.010 52.037 -0.005 0.000 0.620 214 A CB -0.497 18.504 19.000 0.002 0.000 0.819 214 A HN 0.505 nan 8.150 nan 0.000 0.442 215 Q N -0.707 119.080 119.800 -0.021 0.000 2.119 215 Q HA -0.083 4.256 4.340 -0.001 0.000 0.201 215 Q C 1.933 177.895 176.000 -0.063 0.000 0.972 215 Q CA 1.066 56.847 55.803 -0.036 0.000 0.847 215 Q CB -0.306 28.421 28.738 -0.019 0.000 0.903 215 Q HN 0.521 nan 8.270 nan 0.000 0.433 216 L N -0.306 120.874 121.223 -0.072 0.000 2.012 216 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 216 L C 2.022 178.802 176.870 -0.149 0.000 1.073 216 L CA 1.678 56.436 54.840 -0.137 0.000 0.748 216 L CB -0.964 40.976 42.059 -0.198 0.000 0.891 216 L HN 0.191 nan 8.230 nan 0.000 0.431 217 V N 0.194 120.043 119.914 -0.109 0.000 2.427 217 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 217 V C 2.604 178.643 176.094 -0.092 0.000 1.051 217 V CA 1.814 64.058 62.300 -0.094 0.000 1.048 217 V CB -0.582 31.208 31.823 -0.054 0.000 0.666 217 V HN 0.403 nan 8.190 nan 0.000 0.456 218 K N 0.880 121.231 120.400 -0.081 0.000 2.063 218 K HA -0.225 4.094 4.320 -0.001 0.000 0.208 218 K C 2.181 178.714 176.600 -0.111 0.000 1.048 218 K CA 1.681 57.918 56.287 -0.083 0.000 0.928 218 K CB -0.336 32.122 32.500 -0.070 0.000 0.713 218 K HN 0.277 nan 8.250 nan 0.000 0.442 219 R N 0.511 120.931 120.500 -0.134 0.000 2.081 219 R HA 0.018 4.357 4.340 -0.001 0.000 0.235 219 R C 2.009 178.214 176.300 -0.158 0.000 1.131 219 R CA 1.682 57.674 56.100 -0.180 0.000 0.960 219 R CB -0.638 29.542 30.300 -0.199 0.000 0.856 219 R HN 0.326 nan 8.270 nan 0.000 0.436 220 L N -0.369 120.768 121.223 -0.144 0.000 2.217 220 L HA -0.072 4.267 4.340 -0.001 0.000 0.211 220 L C 1.907 178.690 176.870 -0.145 0.000 1.107 220 L CA 1.575 56.328 54.840 -0.146 0.000 0.783 220 L CB -0.445 41.516 42.059 -0.163 0.000 0.919 220 L HN 0.297 nan 8.230 nan 0.000 0.442 221 T N -1.449 113.031 114.554 -0.122 0.000 2.851 221 T HA -0.115 4.234 4.350 -0.001 0.000 0.262 221 T C 1.383 176.028 174.700 -0.093 0.000 1.043 221 T CA 1.004 63.041 62.100 -0.104 0.000 1.140 221 T CB -0.138 68.681 68.868 -0.081 0.000 0.872 221 T HN 0.242 nan 8.240 nan 0.000 0.446 222 D N 1.744 122.086 120.400 -0.097 0.000 2.178 222 D HA 0.033 4.672 4.640 -0.001 0.000 0.201 222 D C 1.954 178.204 176.300 -0.083 0.000 0.980 222 D CA 0.831 54.777 54.000 -0.090 0.000 0.842 222 D CB -0.245 40.491 40.800 -0.108 0.000 0.948 222 D HN 0.427 nan 8.370 nan 0.000 0.472 223 A N 0.217 122.983 122.820 -0.091 0.000 2.251 223 A HA 0.029 4.348 4.320 -0.001 0.000 0.209 223 A C 0.410 177.962 177.584 -0.054 0.000 1.187 223 A CA 0.283 52.282 52.037 -0.065 0.000 0.823 223 A CB 0.025 18.991 19.000 -0.055 0.000 0.846 223 A HN 0.021 nan 8.150 nan 0.000 0.486 224 D N -2.563 117.792 120.400 -0.075 0.000 2.723 224 D HA -0.206 4.433 4.640 -0.001 0.000 0.236 224 D C 0.730 176.950 176.300 -0.133 0.000 1.138 224 D CA 1.024 54.979 54.000 -0.075 0.000 0.676 224 D CB -1.201 39.582 40.800 -0.029 0.000 1.069 224 D HN 0.519 nan 8.370 nan 0.000 0.430 225 A N -0.572 122.097 122.820 -0.251 0.000 2.167 225 A HA 0.147 4.466 4.320 -0.001 0.000 0.208 225 A C 2.073 179.167 177.584 -0.817 0.000 1.198 225 A CA 0.309 51.987 52.037 -0.599 0.000 0.863 225 A CB 0.040 18.854 19.000 -0.310 0.000 0.904 225 A HN 0.286 nan 8.150 nan 0.000 0.484 226 M N 1.379 120.739 119.600 -0.401 0.000 2.202 226 M HA -0.181 4.299 4.480 -0.001 0.000 0.262 226 M C 2.075 178.228 176.300 -0.245 0.000 1.063 226 M CA 1.954 57.088 55.300 -0.276 0.000 1.097 226 M CB -0.877 31.633 32.600 -0.150 0.000 1.382 226 M HN 0.698 nan 8.290 nan 0.000 0.413 227 K N 0.275 120.533 120.400 -0.237 0.000 2.281 227 K HA -0.190 4.129 4.320 -0.001 0.000 0.203 227 K C 0.940 177.567 176.600 0.045 0.000 1.046 227 K CA 1.697 57.943 56.287 -0.068 0.000 0.938 227 K CB -0.694 31.804 32.500 -0.003 0.000 0.737 227 K HN 0.525 nan 8.250 nan 0.000 0.458 228 Y N -0.234 120.106 120.300 0.066 0.000 2.660 228 Y HA 0.462 5.011 4.550 -0.001 0.000 0.254 228 Y C -0.550 175.408 175.900 0.096 0.000 1.176 228 Y CA -1.083 57.082 58.100 0.107 0.000 1.195 228 Y CB 0.050 38.504 38.460 -0.011 0.000 1.190 228 Y HN -0.217 nan 8.280 nan 0.000 0.535 229 T N 2.867 117.424 114.554 0.006 0.000 2.824 229 T HA 0.564 4.913 4.350 -0.001 0.000 0.282 229 T C -0.456 174.281 174.700 0.063 0.000 0.993 229 T CA -0.430 61.691 62.100 0.035 0.000 0.967 229 T CB 1.641 70.460 68.868 -0.082 0.000 0.960 229 T HN 0.154 nan 8.240 nan 0.000 0.441 230 I N 2.708 123.340 120.570 0.104 0.000 2.331 230 I HA 0.402 4.572 4.170 -0.001 0.000 0.292 230 I C -0.279 175.901 176.117 0.104 0.000 0.998 230 I CA -0.977 60.383 61.300 0.101 0.000 1.267 230 I CB 1.372 39.448 38.000 0.127 0.000 1.386 230 I HN 0.233 nan 8.210 nan 0.000 0.476 231 V N 7.441 127.412 119.914 0.094 0.000 2.350 231 V HA 0.280 4.399 4.120 -0.001 0.000 0.276 231 V C 0.065 176.224 176.094 0.107 0.000 1.028 231 V CA -0.607 61.772 62.300 0.132 0.000 0.860 231 V CB 1.608 33.503 31.823 0.119 0.000 0.990 231 V HN 0.413 nan 8.190 nan 0.000 0.453 232 V N 4.265 124.241 119.914 0.104 0.000 2.347 232 V HA 0.482 4.602 4.120 -0.001 0.000 0.280 232 V C 0.188 176.326 176.094 0.073 0.000 1.021 232 V CA -0.101 62.245 62.300 0.076 0.000 0.847 232 V CB 1.635 33.494 31.823 0.061 0.000 0.990 232 V HN 0.830 nan 8.190 nan 0.000 0.444 233 S N 4.097 119.843 115.700 0.077 0.000 2.707 233 S HA 0.750 5.220 4.470 -0.001 0.000 0.312 233 S C -0.218 174.426 174.600 0.073 0.000 1.116 233 S CA -0.274 57.973 58.200 0.078 0.000 1.078 233 S CB 1.019 64.273 63.200 0.090 0.000 0.997 233 S HN 1.012 nan 8.310 nan 0.000 0.477 234 A N 4.416 127.278 122.820 0.069 0.000 2.316 234 A HA 0.630 4.949 4.320 -0.001 0.000 0.324 234 A C 0.574 178.199 177.584 0.069 0.000 1.375 234 A CA -0.617 51.466 52.037 0.076 0.000 0.882 234 A CB 0.009 19.061 19.000 0.087 0.000 1.152 234 A HN 0.814 nan 8.150 nan 0.000 0.512 235 T N -0.788 113.806 114.554 0.066 0.000 2.814 235 T HA 0.554 4.903 4.350 -0.001 0.000 0.284 235 T C 1.546 176.279 174.700 0.055 0.000 0.998 235 T CA 0.033 62.170 62.100 0.061 0.000 0.935 235 T CB 0.946 69.849 68.868 0.057 0.000 1.167 235 T HN 0.964 nan 8.240 nan 0.000 0.545 236 A N 0.645 123.495 122.820 0.050 0.000 1.978 236 A HA -0.027 4.292 4.320 -0.001 0.000 0.220 236 A C 2.385 179.992 177.584 0.038 0.000 1.170 236 A CA 1.851 53.915 52.037 0.044 0.000 0.636 236 A CB -1.258 17.767 19.000 0.041 0.000 0.810 236 A HN 1.068 nan 8.150 nan 0.000 0.448 237 S N -0.720 115.002 115.700 0.036 0.000 2.556 237 S HA 0.120 4.590 4.470 -0.001 0.000 0.216 237 S C -0.249 174.371 174.600 0.033 0.000 0.970 237 S CA -0.347 57.871 58.200 0.030 0.000 0.912 237 S CB -0.193 63.023 63.200 0.027 0.000 0.790 237 S HN 0.349 nan 8.310 nan 0.000 0.504 238 D N 3.016 123.442 120.400 0.043 0.000 2.382 238 D HA 0.542 5.181 4.640 -0.001 0.000 0.245 238 D C 0.420 176.744 176.300 0.039 0.000 1.120 238 D CA 0.155 54.185 54.000 0.051 0.000 0.890 238 D CB 1.218 42.059 40.800 0.069 0.000 1.201 238 D HN 0.437 nan 8.370 nan 0.000 0.433 239 A N 1.613 124.449 122.820 0.028 0.000 2.507 239 A HA 0.339 4.659 4.320 -0.001 0.000 0.235 239 A C 1.484 179.059 177.584 -0.014 0.000 1.070 239 A CA 0.413 52.445 52.037 -0.008 0.000 0.768 239 A CB 0.166 19.145 19.000 -0.036 0.000 1.011 239 A HN 0.635 nan 8.150 nan 0.000 0.502 240 A N 2.715 125.517 122.820 -0.031 0.000 1.917 240 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 240 A C -0.168 177.416 177.584 -0.000 0.000 1.182 240 A CA 2.185 54.219 52.037 -0.005 0.000 0.633 240 A CB -1.699 17.286 19.000 -0.024 0.000 0.819 240 A HN 0.650 nan 8.150 nan 0.000 0.448 241 P HA -0.114 nan 4.420 nan 0.000 0.218 241 P C 1.374 178.668 177.300 -0.011 0.000 1.148 241 P CA 0.822 63.764 63.100 -0.262 0.000 0.822 241 P CB -0.123 30.958 31.700 -1.031 0.000 0.784 242 L N -1.006 120.234 121.223 0.028 0.000 2.056 242 L HA -0.181 4.159 4.340 -0.001 0.000 0.207 242 L C 2.628 179.610 176.870 0.185 0.000 1.078 242 L CA 1.520 56.492 54.840 0.219 0.000 0.749 242 L CB -0.943 41.234 42.059 0.197 0.000 0.901 242 L HN -0.003 nan 8.230 nan 0.000 0.433 243 Q N -1.056 118.832 119.800 0.146 0.000 2.079 243 Q HA -0.246 4.093 4.340 -0.001 0.000 0.200 243 Q C 2.152 178.253 176.000 0.170 0.000 0.974 243 Q CA 1.804 57.688 55.803 0.135 0.000 0.840 243 Q CB -0.389 28.418 28.738 0.116 0.000 0.898 243 Q HN 0.500 nan 8.270 nan 0.000 0.430 244 Y N 1.263 121.626 120.300 0.104 0.000 2.165 244 Y HA -0.263 4.286 4.550 -0.001 0.000 0.286 244 Y C 1.917 177.949 175.900 0.221 0.000 1.155 244 Y CA 1.290 59.478 58.100 0.147 0.000 1.164 244 Y CB -0.196 38.358 38.460 0.157 0.000 0.978 244 Y HN 0.077 nan 8.280 nan 0.000 0.513 245 L N 0.473 121.745 121.223 0.082 0.000 2.131 245 L HA 0.088 4.428 4.340 -0.001 0.000 0.206 245 L C 2.583 179.507 176.870 0.091 0.000 1.087 245 L CA 1.647 56.528 54.840 0.069 0.000 0.767 245 L CB -1.171 41.065 42.059 0.295 0.000 0.917 245 L HN 0.304 nan 8.230 nan 0.000 0.441 246 A N 0.434 123.299 122.820 0.075 0.000 1.927 246 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 246 A C -0.045 177.544 177.584 0.008 0.000 1.185 246 A CA 2.245 54.316 52.037 0.055 0.000 0.639 246 A CB -2.070 16.964 19.000 0.057 0.000 0.820 246 A HN 0.403 nan 8.150 nan 0.000 0.451 247 P HA -0.149 nan 4.420 nan 0.000 0.215 247 P C 0.922 178.083 177.300 -0.232 0.000 1.153 247 P CA 1.279 64.235 63.100 -0.240 0.000 0.853 247 P CB -0.233 31.024 31.700 -0.739 0.000 0.788 248 Y N -0.400 119.812 120.300 -0.147 0.000 2.224 248 Y HA -0.137 4.412 4.550 -0.001 0.000 0.289 248 Y C 2.599 178.483 175.900 -0.026 0.000 1.146 248 Y CA 1.357 59.387 58.100 -0.116 0.000 1.182 248 Y CB -1.181 37.161 38.460 -0.196 0.000 0.983 248 Y HN -0.070 nan 8.280 nan 0.000 0.524 249 S N -0.197 115.582 115.700 0.132 0.000 2.368 249 S HA -0.140 4.330 4.470 -0.001 0.000 0.224 249 S C 2.407 177.064 174.600 0.095 0.000 1.029 249 S CA 1.101 59.358 58.200 0.096 0.000 0.988 249 S CB -0.978 62.269 63.200 0.079 0.000 0.838 249 S HN 0.649 nan 8.310 nan 0.000 0.462 250 G N 0.271 109.134 108.800 0.104 0.000 2.418 250 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.217 250 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.217 250 G C 1.704 176.683 174.900 0.131 0.000 1.158 250 G CA 1.047 46.213 45.100 0.109 0.000 0.771 250 G HN 0.581 nan 8.290 nan 0.000 0.545 251 C N 0.608 120.010 119.300 0.170 0.000 2.425 251 C HA -0.000 4.459 4.460 -0.001 0.000 0.277 251 C C 3.276 178.349 174.990 0.138 0.000 1.280 251 C CA 1.669 60.789 59.018 0.171 0.000 1.744 251 C CB -0.946 26.893 27.740 0.165 0.000 1.989 251 C HN 0.354 nan 8.230 nan 0.000 0.491 252 S N 0.354 116.126 115.700 0.121 0.000 2.387 252 S HA -0.086 4.384 4.470 -0.001 0.000 0.226 252 S C 1.728 176.396 174.600 0.113 0.000 1.026 252 S CA 1.729 59.990 58.200 0.102 0.000 0.972 252 S CB -0.327 62.918 63.200 0.075 0.000 0.814 252 S HN 0.650 nan 8.310 nan 0.000 0.477 253 M N 0.955 120.624 119.600 0.116 0.000 2.159 253 M HA -0.063 4.416 4.480 -0.001 0.000 0.263 253 M C 2.397 178.867 176.300 0.284 0.000 1.063 253 M CA 1.541 56.923 55.300 0.138 0.000 1.110 253 M CB -0.712 31.967 32.600 0.131 0.000 1.374 253 M HN 0.449 nan 8.290 nan 0.000 0.411 254 G N -0.265 108.701 108.800 0.278 0.000 2.430 254 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.216 254 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.216 254 G C 1.300 176.392 174.900 0.319 0.000 1.146 254 G CA 0.328 45.641 45.100 0.354 0.000 0.793 254 G HN 0.473 nan 8.290 nan 0.000 0.537 255 E N -0.635 119.687 120.200 0.204 0.000 2.338 255 E HA -0.107 4.242 4.350 -0.001 0.000 0.197 255 E C 1.818 178.483 176.600 0.108 0.000 1.007 255 E CA 0.350 56.833 56.400 0.138 0.000 0.849 255 E CB -0.164 29.597 29.700 0.102 0.000 0.774 255 E HN 0.632 nan 8.360 nan 0.000 0.506 256 Y N 0.439 120.725 120.300 -0.023 0.000 2.114 256 Y HA -0.276 4.273 4.550 -0.001 0.000 0.284 256 Y C 1.642 177.409 175.900 -0.222 0.000 1.143 256 Y CA 1.688 59.677 58.100 -0.184 0.000 1.135 256 Y CB -0.372 37.870 38.460 -0.364 0.000 0.980 256 Y HN -0.061 nan 8.280 nan 0.000 0.499 257 F N 0.229 120.134 119.950 -0.075 0.000 2.146 257 F HA -0.117 4.409 4.527 -0.001 0.000 0.298 257 F C 2.790 178.480 175.800 -0.183 0.000 1.096 257 F CA 1.768 59.656 58.000 -0.186 0.000 1.275 257 F CB -0.676 38.319 39.000 -0.009 0.000 1.008 257 F HN -0.073 nan 8.300 nan 0.000 0.480 258 R N 0.621 121.184 120.500 0.105 0.000 2.091 258 R HA -0.179 4.161 4.340 -0.001 0.000 0.238 258 R C 1.054 177.341 176.300 -0.023 0.000 1.136 258 R CA 2.058 58.182 56.100 0.040 0.000 0.959 258 R CB -0.380 29.963 30.300 0.072 0.000 0.856 258 R HN 0.181 nan 8.270 nan 0.000 0.437 259 D N -0.256 120.109 120.400 -0.058 0.000 2.340 259 D HA 0.009 4.648 4.640 -0.001 0.000 0.220 259 D C 0.036 176.257 176.300 -0.130 0.000 1.039 259 D CA 0.430 54.400 54.000 -0.050 0.000 0.866 259 D CB 0.175 40.960 40.800 -0.025 0.000 0.913 259 D HN 0.168 nan 8.370 nan 0.000 0.523 260 N N -0.153 118.408 118.700 -0.232 0.000 2.416 260 N HA 0.178 4.917 4.740 -0.001 0.000 0.267 260 N C 0.855 176.251 175.510 -0.189 0.000 1.294 260 N CA 0.034 52.922 53.050 -0.269 0.000 0.891 260 N CB 1.292 39.471 38.487 -0.512 0.000 1.238 260 N HN 0.056 nan 8.380 nan 0.000 0.508 261 G N 0.886 109.599 108.800 -0.144 0.000 2.168 261 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.257 261 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.257 261 G C 0.198 174.960 174.900 -0.230 0.000 0.997 261 G CA 0.601 45.615 45.100 -0.144 0.000 0.708 261 G HN 0.330 nan 8.290 nan 0.000 0.520 262 K N -0.991 119.270 120.400 -0.231 0.000 2.280 262 K HA 0.665 4.984 4.320 -0.001 0.000 0.234 262 K C -0.636 175.755 176.600 -0.348 0.000 1.028 262 K CA -0.938 55.233 56.287 -0.194 0.000 0.882 262 K CB 1.059 33.647 32.500 0.145 0.000 1.194 262 K HN 0.374 nan 8.250 nan 0.000 0.458 263 H N -0.530 118.643 119.070 0.172 0.000 2.547 263 H HA 0.512 5.067 4.556 -0.001 0.000 0.342 263 H C -1.106 174.249 175.328 0.045 0.000 1.048 263 H CA -0.711 55.385 56.048 0.080 0.000 1.204 263 H CB 1.925 31.686 29.762 -0.002 0.000 1.493 263 H HN 0.618 nan 8.280 nan 0.000 0.511 264 A N 2.791 125.679 122.820 0.114 0.000 2.380 264 A HA 0.654 4.974 4.320 -0.001 0.000 0.315 264 A C -1.459 176.128 177.584 0.005 0.000 1.101 264 A CA -0.712 51.316 52.037 -0.015 0.000 0.771 264 A CB 1.247 20.233 19.000 -0.023 0.000 1.287 264 A HN 0.556 nan 8.150 nan 0.000 0.436 265 L N 1.845 123.052 121.223 -0.027 0.000 2.341 265 L HA 0.816 5.155 4.340 -0.001 0.000 0.278 265 L C -1.030 175.805 176.870 -0.060 0.000 1.005 265 L CA -0.441 54.379 54.840 -0.032 0.000 0.818 265 L CB 1.348 43.394 42.059 -0.021 0.000 1.259 265 L HN 0.689 nan 8.230 nan 0.000 0.418 266 I N 5.232 125.723 120.570 -0.132 0.000 2.465 266 I HA 0.550 4.719 4.170 -0.001 0.000 0.291 266 I C -1.249 174.612 176.117 -0.427 0.000 1.014 266 I CA -0.529 60.602 61.300 -0.280 0.000 1.093 266 I CB 1.519 39.297 38.000 -0.371 0.000 1.267 266 I HN 0.626 nan 8.210 nan 0.000 0.431 267 I N 7.580 127.902 120.570 -0.413 0.000 2.378 267 I HA 0.282 4.452 4.170 -0.001 0.000 0.291 267 I C -1.265 174.518 176.117 -0.557 0.000 0.992 267 I CA -0.383 60.690 61.300 -0.378 0.000 1.154 267 I CB 1.356 39.295 38.000 -0.102 0.000 1.315 267 I HN 0.428 nan 8.210 nan 0.000 0.448 268 Y N 4.087 124.268 120.300 -0.197 0.000 2.593 268 Y HA 0.316 4.866 4.550 -0.001 0.000 0.331 268 Y C -0.154 175.607 175.900 -0.232 0.000 0.986 268 Y CA -0.744 57.213 58.100 -0.238 0.000 1.262 268 Y CB 0.724 39.051 38.460 -0.220 0.000 1.098 268 Y HN 0.412 nan 8.280 nan 0.000 0.506 269 D N 3.858 124.145 120.400 -0.190 0.000 2.462 269 D HA 0.172 4.811 4.640 -0.001 0.000 0.249 269 D C -1.183 175.073 176.300 -0.074 0.000 1.117 269 D CA -0.340 53.573 54.000 -0.144 0.000 0.900 269 D CB 0.351 41.016 40.800 -0.226 0.000 1.039 269 D HN 0.694 nan 8.370 nan 0.000 0.516 270 D N 0.271 120.658 120.400 -0.021 0.000 2.531 270 D HA 0.238 4.877 4.640 -0.001 0.000 0.244 270 D C 0.891 177.170 176.300 -0.034 0.000 1.090 270 D CA -0.733 53.254 54.000 -0.021 0.000 0.989 270 D CB 1.102 41.903 40.800 0.001 0.000 1.433 270 D HN 0.063 nan 8.370 nan 0.000 0.492 271 L N 0.203 121.369 121.223 -0.094 0.000 2.395 271 L HA -0.019 4.320 4.340 -0.001 0.000 0.218 271 L C 1.791 178.646 176.870 -0.024 0.000 1.130 271 L CA 0.487 55.220 54.840 -0.179 0.000 0.826 271 L CB -0.371 41.345 42.059 -0.572 0.000 0.941 271 L HN 0.425 nan 8.230 nan 0.000 0.451 272 S N 0.301 116.004 115.700 0.005 0.000 2.356 272 S HA -0.176 4.294 4.470 -0.001 0.000 0.223 272 S C 1.929 176.610 174.600 0.135 0.000 1.032 272 S CA 1.327 59.575 58.200 0.080 0.000 1.005 272 S CB -0.069 63.172 63.200 0.068 0.000 0.867 272 S HN 0.403 nan 8.310 nan 0.000 0.449 273 K N 0.988 121.449 120.400 0.101 0.000 2.155 273 K HA -0.042 4.277 4.320 -0.001 0.000 0.203 273 K C 2.433 179.117 176.600 0.140 0.000 1.052 273 K CA 0.733 57.088 56.287 0.113 0.000 0.948 273 K CB -0.136 32.412 32.500 0.080 0.000 0.728 273 K HN 0.341 nan 8.250 nan 0.000 0.448 274 Q N 0.777 120.656 119.800 0.132 0.000 2.084 274 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 274 Q C 2.052 178.211 176.000 0.265 0.000 0.978 274 Q CA 1.545 57.450 55.803 0.170 0.000 0.844 274 Q CB -0.070 28.726 28.738 0.097 0.000 0.898 274 Q HN 0.327 nan 8.270 nan 0.000 0.426 275 A N -0.037 122.958 122.820 0.291 0.000 1.933 275 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 275 A C 2.211 180.064 177.584 0.448 0.000 1.175 275 A CA 1.463 53.697 52.037 0.329 0.000 0.628 275 A CB -0.646 18.475 19.000 0.200 0.000 0.814 275 A HN 0.294 nan 8.150 nan 0.000 0.444 276 V N -0.235 119.898 119.914 0.364 0.000 2.343 276 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 276 V C 3.051 179.242 176.094 0.161 0.000 1.051 276 V CA 1.922 64.373 62.300 0.251 0.000 1.036 276 V CB -1.156 30.773 31.823 0.176 0.000 0.654 276 V HN 0.617 nan 8.190 nan 0.000 0.451 277 A N -0.909 122.018 122.820 0.178 0.000 1.902 277 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 277 A C 2.176 179.854 177.584 0.156 0.000 1.181 277 A CA 2.055 54.178 52.037 0.144 0.000 0.623 277 A CB -0.759 18.340 19.000 0.165 0.000 0.818 277 A HN 0.643 nan 8.150 nan 0.000 0.443 278 Y N 0.504 120.868 120.300 0.107 0.000 2.242 278 Y HA -0.168 4.381 4.550 -0.001 0.000 0.291 278 Y C 2.445 178.354 175.900 0.015 0.000 1.137 278 Y CA 1.897 60.020 58.100 0.038 0.000 1.181 278 Y CB -0.421 38.124 38.460 0.142 0.000 0.989 278 Y HN 0.337 nan 8.280 nan 0.000 0.527 279 R N 0.352 120.841 120.500 -0.020 0.000 2.083 279 R HA -0.256 4.084 4.340 -0.001 0.000 0.237 279 R C 2.472 178.664 176.300 -0.181 0.000 1.137 279 R CA 2.005 58.020 56.100 -0.142 0.000 0.951 279 R CB -0.478 29.765 30.300 -0.094 0.000 0.851 279 R HN 0.582 nan 8.270 nan 0.000 0.434 280 Q N 0.311 120.045 119.800 -0.110 0.000 2.030 280 Q HA -0.238 4.101 4.340 -0.001 0.000 0.204 280 Q C 2.148 178.067 176.000 -0.136 0.000 0.986 280 Q CA 2.349 58.090 55.803 -0.104 0.000 0.843 280 Q CB -0.123 28.580 28.738 -0.060 0.000 0.904 280 Q HN 0.434 nan 8.270 nan 0.000 0.420 281 M N -0.256 119.249 119.600 -0.159 0.000 2.082 281 M HA -0.199 4.280 4.480 -0.001 0.000 0.258 281 M C 2.531 178.704 176.300 -0.212 0.000 1.069 281 M CA 1.718 56.908 55.300 -0.183 0.000 1.102 281 M CB -0.319 32.148 32.600 -0.221 0.000 1.336 281 M HN 0.206 nan 8.290 nan 0.000 0.404 282 S N 0.490 116.001 115.700 -0.316 0.000 2.368 282 S HA -0.053 4.416 4.470 -0.001 0.000 0.224 282 S C 1.790 176.278 174.600 -0.187 0.000 1.029 282 S CA 1.040 59.054 58.200 -0.309 0.000 0.988 282 S CB -0.247 62.648 63.200 -0.509 0.000 0.838 282 S HN 0.382 nan 8.310 nan 0.000 0.462 283 L N 0.781 121.902 121.223 -0.170 0.000 2.083 283 L HA -0.057 4.282 4.340 -0.001 0.000 0.209 283 L C 2.205 179.020 176.870 -0.091 0.000 1.083 283 L CA 1.011 55.781 54.840 -0.116 0.000 0.752 283 L CB -0.396 41.596 42.059 -0.111 0.000 0.899 283 L HN 0.336 nan 8.230 nan 0.000 0.433 284 L N -0.924 120.242 121.223 -0.096 0.000 2.341 284 L HA -0.096 4.244 4.340 -0.001 0.000 0.214 284 L C 2.079 178.912 176.870 -0.062 0.000 1.115 284 L CA 0.405 55.201 54.840 -0.073 0.000 0.820 284 L CB -0.081 41.934 42.059 -0.072 0.000 0.944 284 L HN 0.238 nan 8.230 nan 0.000 0.452 285 L N -0.234 120.944 121.223 -0.074 0.000 2.610 285 L HA 0.020 4.359 4.340 -0.001 0.000 0.232 285 L C 0.690 177.534 176.870 -0.043 0.000 1.149 285 L CA 0.032 54.839 54.840 -0.054 0.000 0.872 285 L CB -0.105 41.916 42.059 -0.063 0.000 0.992 285 L HN 0.287 nan 8.230 nan 0.000 0.447 286 R N -0.495 119.975 120.500 -0.050 0.000 3.878 286 R HA -0.158 4.181 4.340 -0.001 0.000 0.330 286 R C -0.046 176.231 176.300 -0.037 0.000 1.186 286 R CA 0.552 56.628 56.100 -0.040 0.000 0.885 286 R CB -2.176 28.108 30.300 -0.026 0.000 1.377 286 R HN 0.401 nan 8.270 nan 0.000 0.523 287 R N 1.660 122.130 120.500 -0.049 0.000 2.401 287 R HA 0.185 4.525 4.340 -0.001 0.000 0.299 287 R C -1.989 174.285 176.300 -0.042 0.000 1.064 287 R CA -1.432 54.644 56.100 -0.041 0.000 1.000 287 R CB 0.393 30.662 30.300 -0.051 0.000 0.973 287 R HN -0.112 nan 8.270 nan 0.000 0.438 288 P HA 0.058 nan 4.420 nan 0.000 0.271 288 P C -2.204 175.084 177.300 -0.020 0.000 1.216 288 P CA -0.993 62.093 63.100 -0.023 0.000 0.771 288 P CB 0.172 31.865 31.700 -0.012 0.000 0.864 289 P HA 0.198 nan 4.420 nan 0.000 0.272 289 P C 0.169 177.470 177.300 0.003 0.000 1.230 289 P CA 0.071 63.159 63.100 -0.020 0.000 0.788 289 P CB 0.875 32.551 31.700 -0.041 0.000 0.949 290 G N 0.948 109.766 108.800 0.031 0.000 3.135 290 G HA2 0.354 4.313 3.960 -0.001 0.000 0.159 290 G HA3 0.354 4.313 3.960 -0.001 0.000 0.159 290 G C -0.563 174.343 174.900 0.011 0.000 1.244 290 G CA -1.000 44.117 45.100 0.028 0.000 0.965 290 G HN 0.388 nan 8.290 nan 0.000 0.599 291 R N 0.650 121.124 120.500 -0.044 0.000 2.494 291 R HA 0.112 4.451 4.340 -0.001 0.000 0.291 291 R C -0.004 176.314 176.300 0.030 0.000 0.953 291 R CA 0.960 56.973 56.100 -0.145 0.000 1.098 291 R CB -0.074 29.882 30.300 -0.572 0.000 0.911 291 R HN 0.717 nan 8.270 nan 0.000 0.407 292 E N 1.884 122.099 120.200 0.025 0.000 2.722 292 E HA -0.344 4.005 4.350 -0.001 0.000 0.265 292 E C 0.435 177.012 176.600 -0.038 0.000 1.081 292 E CA 0.487 56.939 56.400 0.086 0.000 0.781 292 E CB -1.023 28.852 29.700 0.292 0.000 1.372 292 E HN 0.878 nan 8.360 nan 0.000 0.423 293 A N -2.552 120.242 122.820 -0.044 0.000 3.413 293 A HA -0.334 3.985 4.320 -0.001 0.000 0.268 293 A C 0.243 177.753 177.584 -0.123 0.000 1.128 293 A CA 1.825 53.797 52.037 -0.107 0.000 1.062 293 A CB -2.096 16.806 19.000 -0.163 0.000 1.121 293 A HN 0.476 nan 8.150 nan 0.000 0.895 294 Y N 0.194 120.528 120.300 0.057 0.000 2.379 294 Y HA 0.400 4.949 4.550 -0.001 0.000 0.337 294 Y C -1.508 174.427 175.900 0.060 0.000 1.238 294 Y CA -1.121 57.029 58.100 0.083 0.000 1.405 294 Y CB 0.199 38.779 38.460 0.199 0.000 1.310 294 Y HN 0.185 nan 8.280 nan 0.000 0.569 295 P HA 0.019 nan 4.420 nan 0.000 0.272 295 P C 0.659 178.081 177.300 0.203 0.000 1.230 295 P CA 0.167 63.326 63.100 0.098 0.000 0.788 295 P CB 0.728 32.393 31.700 -0.059 0.000 0.949 296 G N 1.549 110.440 108.800 0.152 0.000 2.485 296 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.221 296 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.221 296 G C 0.367 175.398 174.900 0.218 0.000 1.115 296 G CA 0.752 45.949 45.100 0.161 0.000 0.751 296 G HN 0.652 nan 8.290 nan 0.000 0.567 297 D N 0.005 120.566 120.400 0.267 0.000 2.894 297 D HA 0.169 4.808 4.640 -0.001 0.000 0.273 297 D C 1.335 177.840 176.300 0.342 0.000 1.328 297 D CA -0.639 53.554 54.000 0.321 0.000 0.845 297 D CB 0.359 41.359 40.800 0.335 0.000 1.072 297 D HN 0.048 nan 8.370 nan 0.000 0.484 298 V N -0.065 120.037 119.914 0.313 0.000 2.548 298 V HA -0.115 4.005 4.120 -0.001 0.000 0.249 298 V C 1.706 177.798 176.094 -0.004 0.000 1.055 298 V CA 1.174 63.581 62.300 0.178 0.000 1.065 298 V CB -0.706 31.211 31.823 0.157 0.000 0.681 298 V HN 0.305 nan 8.190 nan 0.000 0.462 299 F N 0.342 120.288 119.950 -0.007 0.000 2.102 299 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 299 F C 2.170 178.000 175.800 0.050 0.000 1.105 299 F CA 2.467 60.462 58.000 -0.008 0.000 1.239 299 F CB -0.765 38.258 39.000 0.038 0.000 0.991 299 F HN 0.357 nan 8.300 nan 0.000 0.474 300 Y N 0.749 120.980 120.300 -0.115 0.000 2.274 300 Y HA -0.176 4.374 4.550 -0.001 0.000 0.290 300 Y C 2.144 177.905 175.900 -0.230 0.000 1.145 300 Y CA 1.542 59.519 58.100 -0.205 0.000 1.203 300 Y CB -0.903 37.569 38.460 0.020 0.000 0.984 300 Y HN 0.264 nan 8.280 nan 0.000 0.533 301 L N -0.271 120.753 121.223 -0.331 0.000 2.013 301 L HA -0.279 4.060 4.340 -0.001 0.000 0.212 301 L C 2.124 178.774 176.870 -0.366 0.000 1.073 301 L CA 2.451 57.014 54.840 -0.460 0.000 0.753 301 L CB -0.743 40.939 42.059 -0.628 0.000 0.890 301 L HN 0.355 nan 8.230 nan 0.000 0.432 302 H N -1.983 116.881 119.070 -0.343 0.000 2.465 302 H HA 0.009 4.564 4.556 -0.001 0.000 0.289 302 H C 2.369 177.460 175.328 -0.396 0.000 1.022 302 H CA 0.720 56.547 56.048 -0.368 0.000 1.340 302 H CB 0.127 29.709 29.762 -0.300 0.000 1.437 302 H HN 0.539 nan 8.280 nan 0.000 0.539 303 S N 1.556 117.011 115.700 -0.409 0.000 2.383 303 S HA -0.189 4.281 4.470 -0.001 0.000 0.227 303 S C 2.102 176.563 174.600 -0.231 0.000 1.026 303 S CA 0.974 58.921 58.200 -0.422 0.000 0.981 303 S CB -0.142 62.560 63.200 -0.829 0.000 0.818 303 S HN 0.524 nan 8.310 nan 0.000 0.472 304 R N 0.654 120.996 120.500 -0.264 0.000 2.115 304 R HA 0.129 4.468 4.340 -0.001 0.000 0.226 304 R C 2.328 178.571 176.300 -0.095 0.000 1.100 304 R CA 1.176 57.169 56.100 -0.179 0.000 0.980 304 R CB -0.804 29.273 30.300 -0.370 0.000 0.875 304 R HN 0.438 nan 8.270 nan 0.000 0.445 305 L N 1.206 122.348 121.223 -0.135 0.000 2.027 305 L HA -0.018 4.321 4.340 -0.001 0.000 0.206 305 L C 2.096 178.872 176.870 -0.156 0.000 1.074 305 L CA 1.615 56.326 54.840 -0.216 0.000 0.745 305 L CB -0.240 41.468 42.059 -0.585 0.000 0.898 305 L HN 0.232 nan 8.230 nan 0.000 0.433 306 L N -0.751 120.381 121.223 -0.152 0.000 2.240 306 L HA -0.053 4.287 4.340 -0.001 0.000 0.211 306 L C 2.451 179.307 176.870 -0.023 0.000 1.106 306 L CA 0.480 55.280 54.840 -0.065 0.000 0.793 306 L CB -0.570 41.440 42.059 -0.082 0.000 0.927 306 L HN 0.290 nan 8.230 nan 0.000 0.446 307 E N 0.503 120.681 120.200 -0.036 0.000 2.265 307 E HA -0.180 4.169 4.350 -0.001 0.000 0.196 307 E C 2.102 178.703 176.600 0.002 0.000 0.996 307 E CA 0.810 57.204 56.400 -0.011 0.000 0.832 307 E CB 0.050 29.746 29.700 -0.007 0.000 0.756 307 E HN 0.491 nan 8.360 nan 0.000 0.491 308 R N 0.361 120.866 120.500 0.009 0.000 2.236 308 R HA 0.096 4.435 4.340 -0.001 0.000 0.208 308 R C 0.913 177.236 176.300 0.039 0.000 1.036 308 R CA 0.337 56.453 56.100 0.027 0.000 1.001 308 R CB 0.115 30.440 30.300 0.042 0.000 0.896 308 R HN -0.082 nan 8.270 nan 0.000 0.464 309 A N 1.394 124.240 122.820 0.044 0.000 2.451 309 A HA 0.561 4.880 4.320 -0.001 0.000 0.266 309 A C -0.177 177.421 177.584 0.024 0.000 1.119 309 A CA 0.137 52.200 52.037 0.044 0.000 0.786 309 A CB 0.245 19.274 19.000 0.048 0.000 1.061 309 A HN 0.310 nan 8.150 nan 0.000 0.503 310 A N 2.494 125.328 122.820 0.023 0.000 2.608 310 A HA 0.687 5.006 4.320 -0.001 0.000 0.292 310 A C -0.769 176.825 177.584 0.016 0.000 1.066 310 A CA -0.771 51.270 52.037 0.007 0.000 0.676 310 A CB 1.026 20.017 19.000 -0.015 0.000 1.277 310 A HN 0.906 nan 8.150 nan 0.000 0.413 311 K N 1.560 121.964 120.400 0.007 0.000 2.213 311 K HA 0.652 4.971 4.320 -0.001 0.000 0.270 311 K C -0.621 175.979 176.600 -0.000 0.000 1.002 311 K CA -0.258 56.042 56.287 0.022 0.000 0.868 311 K CB 0.565 33.077 32.500 0.020 0.000 1.093 311 K HN 0.584 nan 8.250 nan 0.000 0.454 312 M N 3.406 123.017 119.600 0.018 0.000 2.318 312 M HA 0.243 4.723 4.480 -0.001 0.000 0.347 312 M C 0.062 176.387 176.300 0.040 0.000 1.175 312 M CA -1.002 54.299 55.300 0.000 0.000 1.075 312 M CB 0.627 33.252 32.600 0.042 0.000 1.614 312 M HN 0.781 nan 8.290 nan 0.000 0.456 313 N N 1.360 120.084 118.700 0.040 0.000 2.288 313 N HA 0.021 4.760 4.740 -0.001 0.000 0.237 313 N C 0.097 175.685 175.510 0.130 0.000 1.311 313 N CA -0.052 53.049 53.050 0.084 0.000 0.909 313 N CB 0.452 38.991 38.487 0.086 0.000 1.167 313 N HN 0.429 nan 8.380 nan 0.000 0.476 314 D N -0.584 119.875 120.400 0.099 0.000 2.218 314 D HA -0.089 4.550 4.640 -0.001 0.000 0.204 314 D C 1.686 178.033 176.300 0.079 0.000 0.976 314 D CA 1.519 55.566 54.000 0.077 0.000 0.853 314 D CB -0.594 40.235 40.800 0.049 0.000 0.939 314 D HN 0.708 nan 8.370 nan 0.000 0.481 315 A N 0.114 123.003 122.820 0.116 0.000 1.940 315 A HA -0.157 4.163 4.320 -0.001 0.000 0.219 315 A C 1.535 179.096 177.584 -0.038 0.000 1.176 315 A CA 0.969 53.037 52.037 0.052 0.000 0.631 315 A CB -0.670 18.393 19.000 0.106 0.000 0.814 315 A HN 0.174 nan 8.150 nan 0.000 0.446 316 F N -1.191 118.751 119.950 -0.014 0.000 2.660 316 F HA 0.401 4.927 4.527 -0.001 0.000 0.302 316 F C 1.753 177.532 175.800 -0.035 0.000 1.103 316 F CA 0.546 58.532 58.000 -0.022 0.000 1.340 316 F CB 0.482 39.473 39.000 -0.015 0.000 1.048 316 F HN 0.369 nan 8.300 nan 0.000 0.551 317 G N -0.658 108.195 108.800 0.088 0.000 2.238 317 G HA2 -0.098 3.861 3.960 -0.001 0.000 0.217 317 G HA3 -0.098 3.861 3.960 -0.001 0.000 0.217 317 G C 1.277 176.191 174.900 0.022 0.000 0.996 317 G CA -0.134 44.980 45.100 0.023 0.000 0.632 317 G HN 0.975 nan 8.290 nan 0.000 0.503 318 G N -0.342 108.495 108.800 0.063 0.000 2.162 318 G HA2 0.163 4.123 3.960 -0.001 0.000 0.260 318 G HA3 0.163 4.123 3.960 -0.001 0.000 0.260 318 G C 1.530 176.465 174.900 0.059 0.000 0.976 318 G CA 1.155 46.296 45.100 0.068 0.000 0.655 318 G HN 2.102 nan 8.290 nan 0.000 0.533 319 G N -0.453 108.329 108.800 -0.030 0.000 2.653 319 G HA2 0.705 4.664 3.960 -0.001 0.000 0.265 319 G HA3 0.705 4.664 3.960 -0.001 0.000 0.265 319 G C 0.329 175.248 174.900 0.032 0.000 1.237 319 G CA 1.029 46.036 45.100 -0.156 0.000 0.946 319 G HN 1.870 nan 8.290 nan 0.000 0.522 320 S N -1.801 113.951 115.700 0.086 0.000 2.570 320 S HA 0.596 5.065 4.470 -0.001 0.000 0.270 320 S C -1.564 173.113 174.600 0.128 0.000 1.149 320 S CA -0.817 57.477 58.200 0.156 0.000 0.837 320 S CB 1.908 65.255 63.200 0.245 0.000 1.124 320 S HN 1.171 nan 8.310 nan 0.000 0.465 321 L N 1.572 122.849 121.223 0.091 0.000 2.404 321 L HA 0.712 5.051 4.340 -0.001 0.000 0.272 321 L C -0.800 176.096 176.870 0.043 0.000 0.980 321 L CA 0.198 55.084 54.840 0.076 0.000 0.836 321 L CB 1.836 43.945 42.059 0.082 0.000 1.238 321 L HN 0.920 nan 8.230 nan 0.000 0.408 322 T N 4.272 118.839 114.554 0.022 0.000 2.795 322 T HA 0.818 5.167 4.350 -0.001 0.000 0.282 322 T C -0.210 174.471 174.700 -0.031 0.000 0.980 322 T CA -0.210 61.888 62.100 -0.003 0.000 1.012 322 T CB 1.363 70.222 68.868 -0.015 0.000 0.936 322 T HN 0.794 nan 8.240 nan 0.000 0.457 323 A N 3.455 126.259 122.820 -0.025 0.000 2.318 323 A HA 0.741 5.060 4.320 -0.001 0.000 0.324 323 A C -0.452 177.104 177.584 -0.047 0.000 1.170 323 A CA -0.757 51.244 52.037 -0.061 0.000 0.810 323 A CB 0.511 19.537 19.000 0.045 0.000 1.198 323 A HN 0.871 nan 8.150 nan 0.000 0.484 324 L N 4.719 125.883 121.223 -0.097 0.000 2.435 324 L HA 0.330 4.669 4.340 -0.001 0.000 0.253 324 L C -2.265 174.583 176.870 -0.037 0.000 1.087 324 L CA -1.747 53.065 54.840 -0.047 0.000 0.950 324 L CB 1.254 43.293 42.059 -0.033 0.000 1.304 324 L HN 0.497 nan 8.230 nan 0.000 0.453 325 P HA 0.164 nan 4.420 nan 0.000 0.274 325 P C -0.580 176.722 177.300 0.004 0.000 1.231 325 P CA -0.191 62.952 63.100 0.072 0.000 0.790 325 P CB 2.087 33.810 31.700 0.037 0.000 0.951 326 V N 3.726 123.634 119.914 -0.010 0.000 2.495 326 V HA 0.403 4.523 4.120 -0.001 0.000 0.298 326 V C 0.244 176.320 176.094 -0.031 0.000 1.031 326 V CA -0.597 61.698 62.300 -0.008 0.000 0.871 326 V CB 1.767 33.594 31.823 0.007 0.000 0.988 326 V HN 0.416 nan 8.190 nan 0.000 0.432 327 I N 3.384 123.947 120.570 -0.011 0.000 2.498 327 I HA 0.432 4.602 4.170 -0.001 0.000 0.290 327 I C -0.017 176.118 176.117 0.030 0.000 1.032 327 I CA -0.408 60.885 61.300 -0.011 0.000 1.073 327 I CB 2.095 40.077 38.000 -0.031 0.000 1.251 327 I HN 0.771 nan 8.210 nan 0.000 0.426 328 E N 5.031 125.253 120.200 0.037 0.000 2.146 328 E HA 0.354 4.703 4.350 -0.001 0.000 0.282 328 E C -0.412 176.229 176.600 0.068 0.000 0.989 328 E CA -0.375 56.058 56.400 0.055 0.000 0.799 328 E CB 1.106 30.837 29.700 0.051 0.000 1.088 328 E HN 0.703 nan 8.360 nan 0.000 0.397 329 T N 1.952 116.559 114.554 0.089 0.000 2.847 329 T HA 0.316 4.665 4.350 -0.001 0.000 0.279 329 T C -0.017 174.738 174.700 0.091 0.000 0.984 329 T CA -0.961 61.198 62.100 0.098 0.000 0.988 329 T CB 1.435 70.388 68.868 0.143 0.000 1.040 329 T HN 0.344 nan 8.240 nan 0.000 0.528 330 Q N 0.103 119.956 119.800 0.089 0.000 2.331 330 Q HA 0.557 4.896 4.340 -0.001 0.000 0.267 330 Q C 0.468 176.517 176.000 0.082 0.000 1.006 330 Q CA -0.153 55.698 55.803 0.080 0.000 0.818 330 Q CB 1.448 30.233 28.738 0.078 0.000 1.276 330 Q HN 1.233 nan 8.270 nan 0.000 0.450 331 A N 2.117 124.983 122.820 0.076 0.000 2.826 331 A HA -0.188 4.132 4.320 -0.001 0.000 0.274 331 A C 1.084 178.729 177.584 0.102 0.000 1.443 331 A CA 1.667 53.750 52.037 0.077 0.000 0.833 331 A CB -2.118 16.921 19.000 0.066 0.000 1.023 331 A HN 1.680 nan 8.150 nan 0.000 0.600 332 G N -1.428 107.452 108.800 0.133 0.000 2.160 332 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.251 332 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.251 332 G C -0.134 174.899 174.900 0.221 0.000 1.008 332 G CA 0.981 46.213 45.100 0.220 0.000 0.724 332 G HN 1.553 nan 8.290 nan 0.000 0.514 333 D N 0.739 121.214 120.400 0.126 0.000 2.522 333 D HA 0.419 5.059 4.640 -0.001 0.000 0.218 333 D C 1.943 178.234 176.300 -0.014 0.000 1.149 333 D CA 0.191 54.226 54.000 0.058 0.000 0.981 333 D CB 0.338 41.172 40.800 0.056 0.000 1.041 333 D HN 0.335 nan 8.370 nan 0.000 0.518 334 V N 1.037 120.859 119.914 -0.153 0.000 2.688 334 V HA -0.153 3.967 4.120 -0.001 0.000 0.256 334 V C 1.760 177.745 176.094 -0.182 0.000 1.084 334 V CA 1.173 63.274 62.300 -0.331 0.000 1.103 334 V CB -0.631 30.710 31.823 -0.803 0.000 0.688 334 V HN 0.317 nan 8.190 nan 0.000 0.480 335 S N 0.297 115.933 115.700 -0.107 0.000 2.671 335 S HA 0.561 5.030 4.470 -0.001 0.000 0.220 335 S C 1.039 175.637 174.600 -0.003 0.000 0.951 335 S CA 0.307 58.475 58.200 -0.054 0.000 0.932 335 S CB -0.298 62.881 63.200 -0.036 0.000 0.777 335 S HN 0.771 nan 8.310 nan 0.000 0.508 336 A N 0.564 123.390 122.820 0.010 0.000 2.280 336 A HA 0.452 4.771 4.320 -0.001 0.000 0.268 336 A C 0.894 178.537 177.584 0.097 0.000 1.111 336 A CA -0.301 51.775 52.037 0.066 0.000 0.814 336 A CB -0.127 18.918 19.000 0.074 0.000 1.093 336 A HN 0.347 nan 8.150 nan 0.000 0.498 337 Y N 0.566 120.875 120.300 0.015 0.000 2.036 337 Y HA -0.241 4.309 4.550 -0.001 0.000 0.273 337 Y C 1.798 177.700 175.900 0.003 0.000 1.135 337 Y CA 2.544 60.652 58.100 0.013 0.000 1.106 337 Y CB -0.718 37.761 38.460 0.033 0.000 0.976 337 Y HN 0.477 nan 8.280 nan 0.000 0.483 338 I N 0.366 120.771 120.570 -0.274 0.000 2.179 338 I HA -0.195 3.974 4.170 -0.001 0.000 0.242 338 I C -0.727 175.281 176.117 -0.181 0.000 1.088 338 I CA 1.292 62.364 61.300 -0.379 0.000 1.357 338 I CB -1.968 35.850 38.000 -0.303 0.000 1.051 338 I HN 0.205 nan 8.210 nan 0.000 0.409 339 P HA -0.215 nan 4.420 nan 0.000 0.215 339 P C 1.805 179.063 177.300 -0.071 0.000 1.163 339 P CA 2.499 65.559 63.100 -0.066 0.000 0.894 339 P CB -0.410 31.262 31.700 -0.046 0.000 0.791 340 T N -4.275 110.239 114.554 -0.067 0.000 2.915 340 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 340 T C 1.670 176.348 174.700 -0.037 0.000 1.071 340 T CA 1.342 63.413 62.100 -0.048 0.000 1.132 340 T CB -1.363 67.490 68.868 -0.025 0.000 0.878 340 T HN 0.164 nan 8.240 nan 0.000 0.479 341 N N 0.866 119.515 118.700 -0.085 0.000 2.043 341 N HA -0.106 4.633 4.740 -0.001 0.000 0.193 341 N C 1.809 177.381 175.510 0.104 0.000 1.037 341 N CA 1.589 54.638 53.050 -0.002 0.000 0.851 341 N CB -0.254 38.154 38.487 -0.131 0.000 1.027 341 N HN 0.250 nan 8.380 nan 0.000 0.422 342 V N 1.506 121.430 119.914 0.017 0.000 2.453 342 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 342 V C 2.108 178.202 176.094 -0.001 0.000 1.048 342 V CA 1.113 63.410 62.300 -0.005 0.000 1.049 342 V CB -0.403 31.368 31.823 -0.087 0.000 0.672 342 V HN 0.293 nan 8.190 nan 0.000 0.457 343 I N 1.527 122.090 120.570 -0.011 0.000 2.264 343 I HA -0.245 3.924 4.170 -0.001 0.000 0.248 343 I C 2.503 178.633 176.117 0.021 0.000 1.111 343 I CA 1.986 63.281 61.300 -0.008 0.000 1.382 343 I CB -0.400 37.580 38.000 -0.033 0.000 1.060 343 I HN 0.491 nan 8.210 nan 0.000 0.418 344 S N 0.027 115.756 115.700 0.048 0.000 2.607 344 S HA 0.072 4.541 4.470 -0.001 0.000 0.224 344 S C 1.581 176.269 174.600 0.148 0.000 0.969 344 S CA 0.377 58.626 58.200 0.082 0.000 0.927 344 S CB -0.399 62.841 63.200 0.067 0.000 0.772 344 S HN 0.445 nan 8.310 nan 0.000 0.533 345 I N 1.561 122.206 120.570 0.125 0.000 2.947 345 I HA 0.055 4.224 4.170 -0.001 0.000 0.263 345 I C 1.464 177.605 176.117 0.040 0.000 1.130 345 I CA 0.578 61.933 61.300 0.093 0.000 1.448 345 I CB -0.512 37.497 38.000 0.014 0.000 1.222 345 I HN 0.336 nan 8.210 nan 0.000 0.453 346 T N -1.257 113.309 114.554 0.020 0.000 2.766 346 T HA 0.056 4.406 4.350 -0.001 0.000 0.295 346 T C 0.252 174.962 174.700 0.016 0.000 1.024 346 T CA -0.404 61.702 62.100 0.010 0.000 1.018 346 T CB 0.605 69.474 68.868 0.002 0.000 1.002 346 T HN 0.055 nan 8.240 nan 0.000 0.532 347 D N 1.033 121.440 120.400 0.012 0.000 2.881 347 D HA 0.423 5.062 4.640 -0.001 0.000 0.240 347 D C 0.967 177.274 176.300 0.011 0.000 1.249 347 D CA 0.373 54.380 54.000 0.012 0.000 0.839 347 D CB -0.462 40.343 40.800 0.009 0.000 1.042 347 D HN 1.006 nan 8.370 nan 0.000 0.475 348 G N 1.160 109.967 108.800 0.012 0.000 2.355 348 G HA2 0.148 4.108 3.960 -0.001 0.000 0.619 348 G HA3 0.148 4.108 3.960 -0.001 0.000 0.619 348 G C -1.674 173.237 174.900 0.018 0.000 1.337 348 G CA -0.966 44.143 45.100 0.015 0.000 0.993 348 G HN 0.166 nan 8.290 nan 0.000 0.599 349 Q N -0.772 119.045 119.800 0.028 0.000 2.391 349 Q HA 0.646 4.985 4.340 -0.001 0.000 0.279 349 Q C -1.703 174.341 176.000 0.072 0.000 1.028 349 Q CA -0.920 54.909 55.803 0.043 0.000 0.836 349 Q CB 1.748 30.506 28.738 0.034 0.000 1.414 349 Q HN 0.935 nan 8.270 nan 0.000 0.397 350 I N 2.614 123.236 120.570 0.087 0.000 2.328 350 I HA 0.332 4.501 4.170 -0.001 0.000 0.287 350 I C -0.876 175.346 176.117 0.176 0.000 1.012 350 I CA -0.734 60.628 61.300 0.103 0.000 1.195 350 I CB 0.835 38.872 38.000 0.062 0.000 1.350 350 I HN 0.485 nan 8.210 nan 0.000 0.464 351 F N 8.307 128.266 119.950 0.014 0.000 2.404 351 F HA 0.581 5.107 4.527 -0.001 0.000 0.354 351 F C -0.880 174.933 175.800 0.022 0.000 1.122 351 F CA -0.892 57.118 58.000 0.016 0.000 1.080 351 F CB 0.624 39.634 39.000 0.017 0.000 1.131 351 F HN 0.178 nan 8.300 nan 0.000 0.471 352 L N 5.809 126.798 121.223 -0.390 0.000 2.325 352 L HA 0.559 4.898 4.340 -0.001 0.000 0.278 352 L C -0.569 175.924 176.870 -0.629 0.000 1.023 352 L CA -0.693 53.911 54.840 -0.394 0.000 0.811 352 L CB 1.856 43.828 42.059 -0.145 0.000 1.249 352 L HN 0.528 nan 8.230 nan 0.000 0.431 353 E N -0.155 119.789 120.200 -0.427 0.000 2.293 353 E HA 0.197 4.546 4.350 -0.001 0.000 0.270 353 E C 0.187 176.720 176.600 -0.113 0.000 0.879 353 E CA -0.328 55.882 56.400 -0.317 0.000 0.756 353 E CB 2.398 31.912 29.700 -0.311 0.000 1.208 353 E HN 0.754 nan 8.360 nan 0.000 0.428 354 T N -0.837 113.678 114.554 -0.065 0.000 2.746 354 T HA -0.238 4.112 4.350 -0.001 0.000 0.267 354 T C 1.544 176.329 174.700 0.141 0.000 1.039 354 T CA 1.486 63.591 62.100 0.009 0.000 1.142 354 T CB -0.034 68.879 68.868 0.075 0.000 0.866 354 T HN 0.542 nan 8.240 nan 0.000 0.444 355 E N 0.882 121.149 120.200 0.111 0.000 2.049 355 E HA -0.141 4.209 4.350 -0.001 0.000 0.198 355 E C 2.251 178.918 176.600 0.111 0.000 1.007 355 E CA 1.490 57.966 56.400 0.126 0.000 0.809 355 E CB -0.311 29.434 29.700 0.075 0.000 0.749 355 E HN 0.580 nan 8.360 nan 0.000 0.450 356 L N -0.133 121.121 121.223 0.052 0.000 2.046 356 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 356 L C 2.483 179.365 176.870 0.019 0.000 1.077 356 L CA 1.057 55.911 54.840 0.024 0.000 0.747 356 L CB -0.531 41.518 42.059 -0.017 0.000 0.896 356 L HN 0.219 nan 8.230 nan 0.000 0.432 357 F N 0.164 120.024 119.950 -0.150 0.000 2.065 357 F HA -0.342 4.185 4.527 -0.001 0.000 0.298 357 F C 2.295 177.937 175.800 -0.264 0.000 1.112 357 F CA 1.876 59.715 58.000 -0.268 0.000 1.212 357 F CB -0.362 38.373 39.000 -0.442 0.000 0.975 357 F HN -0.050 nan 8.300 nan 0.000 0.476 358 Y N -0.319 120.114 120.300 0.221 0.000 2.457 358 Y HA -0.037 4.512 4.550 -0.001 0.000 0.292 358 Y C 2.083 177.997 175.900 0.022 0.000 1.125 358 Y CA 0.633 58.806 58.100 0.122 0.000 1.254 358 Y CB -0.280 38.272 38.460 0.153 0.000 1.012 358 Y HN -0.041 nan 8.280 nan 0.000 0.555 359 K N -0.316 120.160 120.400 0.127 0.000 2.504 359 K HA 0.009 4.328 4.320 -0.001 0.000 0.195 359 K C 1.440 178.043 176.600 0.005 0.000 1.036 359 K CA 0.816 57.140 56.287 0.062 0.000 0.984 359 K CB -0.146 32.384 32.500 0.049 0.000 0.788 359 K HN 0.470 nan 8.250 nan 0.000 0.488 360 G N 1.017 109.780 108.800 -0.061 0.000 2.176 360 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.232 360 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.232 360 G C 0.052 174.871 174.900 -0.135 0.000 0.986 360 G CA -0.419 44.612 45.100 -0.114 0.000 0.643 360 G HN 0.125 nan 8.290 nan 0.000 0.522 361 I N 2.168 122.669 120.570 -0.115 0.000 2.349 361 I HA 0.324 4.493 4.170 -0.001 0.000 0.302 361 I C 0.782 176.801 176.117 -0.164 0.000 1.180 361 I CA 0.335 61.576 61.300 -0.098 0.000 1.405 361 I CB -0.692 37.282 38.000 -0.043 0.000 1.474 361 I HN 0.164 nan 8.210 nan 0.000 0.632 362 R N 7.078 127.460 120.500 -0.197 0.000 2.532 362 R HA 0.434 4.773 4.340 -0.001 0.000 0.297 362 R C -2.543 173.677 176.300 -0.133 0.000 0.984 362 R CA -1.720 54.244 56.100 -0.228 0.000 0.884 362 R CB 2.313 32.367 30.300 -0.410 0.000 1.182 362 R HN 0.222 nan 8.270 nan 0.000 0.442 363 P HA -0.028 nan 4.420 nan 0.000 0.266 363 P C -0.264 177.009 177.300 -0.046 0.000 1.195 363 P CA -0.018 63.049 63.100 -0.056 0.000 0.768 363 P CB 0.828 32.508 31.700 -0.034 0.000 0.838 364 A N 4.502 127.318 122.820 -0.007 0.000 2.810 364 A HA 0.162 4.481 4.320 -0.001 0.000 0.247 364 A C 0.775 178.323 177.584 -0.060 0.000 1.576 364 A CA -0.318 51.712 52.037 -0.012 0.000 1.294 364 A CB -1.466 17.588 19.000 0.091 0.000 0.976 364 A HN 0.487 nan 8.150 nan 0.000 0.631 365 I N 1.275 121.819 120.570 -0.043 0.000 2.396 365 I HA 0.025 4.194 4.170 -0.001 0.000 0.289 365 I C 0.543 176.645 176.117 -0.025 0.000 1.056 365 I CA -0.339 60.939 61.300 -0.036 0.000 1.365 365 I CB 0.554 38.553 38.000 -0.001 0.000 1.407 365 I HN 0.348 nan 8.210 nan 0.000 0.509 366 N N 6.319 124.998 118.700 -0.035 0.000 2.405 366 N HA 0.060 4.800 4.740 -0.001 0.000 0.260 366 N C 0.771 176.337 175.510 0.094 0.000 1.152 366 N CA -0.006 53.068 53.050 0.041 0.000 0.948 366 N CB 1.480 40.023 38.487 0.094 0.000 1.111 366 N HN 0.404 nan 8.380 nan 0.000 0.485 367 V N 4.152 124.110 119.914 0.074 0.000 2.270 367 V HA -0.137 3.982 4.120 -0.001 0.000 0.245 367 V C 2.380 178.521 176.094 0.078 0.000 1.043 367 V CA 2.221 64.564 62.300 0.071 0.000 1.014 367 V CB -0.953 30.910 31.823 0.066 0.000 0.645 367 V HN 0.779 nan 8.190 nan 0.000 0.447 368 G N -0.423 108.424 108.800 0.079 0.000 2.432 368 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.219 368 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.219 368 G C 1.513 176.458 174.900 0.074 0.000 1.135 368 G CA 0.738 45.878 45.100 0.066 0.000 0.767 368 G HN 0.483 nan 8.290 nan 0.000 0.550 369 L N 0.704 121.998 121.223 0.118 0.000 2.509 369 L HA 0.178 4.517 4.340 -0.001 0.000 0.222 369 L C 0.817 177.754 176.870 0.112 0.000 1.123 369 L CA -0.157 54.753 54.840 0.117 0.000 0.856 369 L CB 0.094 42.276 42.059 0.206 0.000 0.985 369 L HN 0.032 nan 8.230 nan 0.000 0.456 370 S N 0.235 116.014 115.700 0.132 0.000 2.586 370 S HA 0.506 4.975 4.470 -0.001 0.000 0.274 370 S C -0.183 174.454 174.600 0.061 0.000 1.281 370 S CA -0.563 57.701 58.200 0.107 0.000 1.035 370 S CB 2.051 65.316 63.200 0.108 0.000 0.962 370 S HN 0.098 nan 8.310 nan 0.000 0.512 371 V N -0.291 119.651 119.914 0.046 0.000 3.114 371 V HA 0.918 5.037 4.120 -0.001 0.000 0.308 371 V C -0.566 175.543 176.094 0.025 0.000 1.168 371 V CA -0.781 61.537 62.300 0.030 0.000 1.015 371 V CB 1.891 33.726 31.823 0.020 0.000 1.050 371 V HN 0.719 nan 8.190 nan 0.000 0.433 372 S N 1.358 117.069 115.700 0.018 0.000 2.502 372 S HA 0.583 5.052 4.470 -0.001 0.000 0.304 372 S C 0.422 175.028 174.600 0.010 0.000 1.097 372 S CA -0.808 57.400 58.200 0.013 0.000 1.045 372 S CB 1.804 65.010 63.200 0.010 0.000 1.019 372 S HN 0.860 nan 8.310 nan 0.000 0.481 373 R N 3.086 123.591 120.500 0.008 0.000 2.317 373 R HA 0.172 4.511 4.340 -0.001 0.000 0.208 373 R C 0.833 177.136 176.300 0.004 0.000 0.914 373 R CA 0.293 56.397 56.100 0.007 0.000 1.060 373 R CB 0.056 30.361 30.300 0.009 0.000 1.015 373 R HN 0.494 nan 8.270 nan 0.000 0.498 374 V N -0.377 119.538 119.914 0.002 0.000 2.922 374 V HA 0.178 4.297 4.120 -0.001 0.000 0.242 374 V C 1.401 177.494 176.094 -0.002 0.000 1.094 374 V CA 1.015 63.314 62.300 -0.002 0.000 1.106 374 V CB 0.120 31.939 31.823 -0.006 0.000 0.799 374 V HN 0.597 nan 8.190 nan 0.000 0.474 375 G N 1.413 110.213 108.800 -0.000 0.000 2.547 375 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.271 375 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.271 375 G C 1.100 175.998 174.900 -0.003 0.000 1.209 375 G CA 0.983 46.083 45.100 0.000 0.000 0.959 375 G HN 0.959 nan 8.290 nan 0.000 0.563 376 S N 0.227 115.925 115.700 -0.002 0.000 2.474 376 S HA 0.260 4.729 4.470 -0.001 0.000 0.235 376 S C 2.547 177.142 174.600 -0.007 0.000 0.997 376 S CA 1.685 59.883 58.200 -0.003 0.000 0.949 376 S CB -0.343 62.857 63.200 -0.001 0.000 0.766 376 S HN 2.116 nan 8.310 nan 0.000 0.517 377 A N 1.335 124.150 122.820 -0.008 0.000 2.070 377 A HA 0.392 4.711 4.320 -0.001 0.000 0.220 377 A C 2.146 179.718 177.584 -0.020 0.000 1.159 377 A CA 1.274 53.304 52.037 -0.012 0.000 0.656 377 A CB -0.912 18.082 19.000 -0.010 0.000 0.800 377 A HN 0.926 nan 8.150 nan 0.000 0.453 378 A N -1.308 121.499 122.820 -0.020 0.000 2.379 378 A HA 0.383 4.702 4.320 -0.001 0.000 0.236 378 A C 0.637 178.202 177.584 -0.032 0.000 1.272 378 A CA -0.190 51.829 52.037 -0.031 0.000 0.886 378 A CB -0.008 18.975 19.000 -0.028 0.000 0.962 378 A HN 0.593 nan 8.150 nan 0.000 0.504 379 Q N 0.266 120.053 119.800 -0.023 0.000 2.301 379 Q HA 0.444 4.784 4.340 -0.001 0.000 0.267 379 Q C -0.080 175.909 176.000 -0.018 0.000 1.035 379 Q CA -0.602 55.190 55.803 -0.017 0.000 0.856 379 Q CB 1.765 30.499 28.738 -0.006 0.000 1.337 379 Q HN 0.444 nan 8.270 nan 0.000 0.450 380 T N -1.810 112.735 114.554 -0.015 0.000 2.900 380 T HA 0.086 4.436 4.350 -0.001 0.000 0.307 380 T C 0.963 175.662 174.700 -0.002 0.000 1.065 380 T CA -0.359 61.735 62.100 -0.011 0.000 1.105 380 T CB 1.033 69.897 68.868 -0.006 0.000 0.979 380 T HN 0.722 nan 8.240 nan 0.000 0.544 381 R N 1.326 121.826 120.500 -0.001 0.000 2.103 381 R HA -0.150 4.190 4.340 -0.001 0.000 0.242 381 R C 2.585 178.893 176.300 0.014 0.000 1.142 381 R CA 1.614 57.718 56.100 0.005 0.000 0.960 381 R CB -1.043 29.259 30.300 0.004 0.000 0.858 381 R HN 0.885 nan 8.270 nan 0.000 0.439 382 A N 0.831 123.660 122.820 0.014 0.000 1.873 382 A HA -0.267 4.053 4.320 -0.001 0.000 0.218 382 A C 2.100 179.704 177.584 0.034 0.000 1.193 382 A CA 1.898 53.950 52.037 0.024 0.000 0.629 382 A CB -0.582 18.427 19.000 0.015 0.000 0.826 382 A HN 0.454 nan 8.150 nan 0.000 0.447 383 M N -0.199 119.416 119.600 0.025 0.000 2.132 383 M HA -0.068 4.412 4.480 -0.001 0.000 0.263 383 M C 1.930 178.244 176.300 0.023 0.000 1.065 383 M CA 2.199 57.515 55.300 0.027 0.000 1.122 383 M CB -0.452 32.158 32.600 0.018 0.000 1.365 383 M HN 0.425 nan 8.290 nan 0.000 0.411 384 K N -0.631 119.779 120.400 0.017 0.000 2.097 384 K HA -0.213 4.107 4.320 -0.001 0.000 0.206 384 K C 1.994 178.605 176.600 0.018 0.000 1.049 384 K CA 1.724 58.019 56.287 0.013 0.000 0.933 384 K CB -0.097 32.408 32.500 0.008 0.000 0.717 384 K HN 0.549 nan 8.250 nan 0.000 0.442 385 Q N -0.057 119.760 119.800 0.028 0.000 2.020 385 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 385 Q C 2.112 178.136 176.000 0.040 0.000 0.982 385 Q CA 2.098 57.924 55.803 0.038 0.000 0.838 385 Q CB -0.025 28.746 28.738 0.056 0.000 0.899 385 Q HN 0.370 nan 8.270 nan 0.000 0.423 386 V N -3.530 116.416 119.914 0.053 0.000 2.951 386 V HA 0.205 4.324 4.120 -0.001 0.000 0.255 386 V C 1.448 177.552 176.094 0.016 0.000 1.088 386 V CA 1.271 63.600 62.300 0.049 0.000 1.109 386 V CB -0.045 31.835 31.823 0.095 0.000 0.724 386 V HN 0.228 nan 8.190 nan 0.000 0.471 387 A N 0.321 123.150 122.820 0.015 0.000 2.508 387 A HA 0.592 4.911 4.320 -0.001 0.000 0.257 387 A C 1.938 179.523 177.584 0.002 0.000 1.226 387 A CA 0.546 52.587 52.037 0.006 0.000 0.947 387 A CB -0.321 18.685 19.000 0.010 0.000 1.079 387 A HN 0.548 nan 8.150 nan 0.000 0.531 388 G N 0.813 109.614 108.800 0.002 0.000 2.469 388 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.219 388 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.219 388 G C 1.417 176.316 174.900 -0.002 0.000 1.150 388 G CA 2.074 47.175 45.100 0.001 0.000 0.763 388 G HN 0.824 nan 8.290 nan 0.000 0.561 389 T N -3.164 111.386 114.554 -0.007 0.000 3.040 389 T HA 0.335 4.684 4.350 -0.001 0.000 0.266 389 T C 1.966 176.662 174.700 -0.007 0.000 1.005 389 T CA 0.445 62.540 62.100 -0.007 0.000 0.906 389 T CB 0.202 69.062 68.868 -0.012 0.000 1.082 389 T HN 0.159 nan 8.240 nan 0.000 0.531 390 M N 1.064 120.659 119.600 -0.009 0.000 2.229 390 M HA 0.083 4.563 4.480 -0.001 0.000 0.264 390 M C 2.322 178.624 176.300 0.002 0.000 1.063 390 M CA 1.431 56.725 55.300 -0.011 0.000 1.114 390 M CB -0.140 32.450 32.600 -0.016 0.000 1.387 390 M HN 0.168 nan 8.290 nan 0.000 0.420 391 K N 0.369 120.774 120.400 0.009 0.000 2.025 391 K HA -0.135 4.185 4.320 -0.001 0.000 0.207 391 K C 1.769 178.385 176.600 0.026 0.000 1.049 391 K CA 1.366 57.665 56.287 0.019 0.000 0.933 391 K CB -0.176 32.335 32.500 0.019 0.000 0.714 391 K HN 0.404 nan 8.250 nan 0.000 0.438 392 L N 0.574 121.808 121.223 0.018 0.000 2.093 392 L HA -0.137 4.202 4.340 -0.001 0.000 0.208 392 L C 2.596 179.482 176.870 0.027 0.000 1.085 392 L CA 1.220 56.072 54.840 0.019 0.000 0.755 392 L CB -0.491 41.574 42.059 0.010 0.000 0.904 392 L HN 0.384 nan 8.230 nan 0.000 0.435 393 E N 0.960 121.174 120.200 0.023 0.000 2.077 393 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 393 E C 2.343 178.986 176.600 0.072 0.000 0.989 393 E CA 1.105 57.523 56.400 0.030 0.000 0.800 393 E CB 0.006 29.708 29.700 0.003 0.000 0.746 393 E HN 0.466 nan 8.360 nan 0.000 0.452 394 L N 0.266 121.532 121.223 0.072 0.000 2.156 394 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 394 L C 2.616 179.587 176.870 0.168 0.000 1.095 394 L CA 0.748 55.672 54.840 0.140 0.000 0.770 394 L CB -0.321 41.790 42.059 0.087 0.000 0.914 394 L HN 0.215 nan 8.230 nan 0.000 0.439 395 A N -0.711 122.164 122.820 0.092 0.000 1.902 395 A HA -0.217 4.102 4.320 -0.001 0.000 0.217 395 A C 2.251 179.862 177.584 0.044 0.000 1.181 395 A CA 1.275 53.348 52.037 0.060 0.000 0.623 395 A CB -0.353 18.671 19.000 0.040 0.000 0.818 395 A HN 0.346 nan 8.150 nan 0.000 0.443 396 Q N -1.611 118.220 119.800 0.052 0.000 2.119 396 Q HA -0.176 4.163 4.340 -0.001 0.000 0.201 396 Q C 1.934 177.964 176.000 0.050 0.000 0.972 396 Q CA 1.762 57.586 55.803 0.035 0.000 0.847 396 Q CB -0.504 28.253 28.738 0.032 0.000 0.903 396 Q HN 0.898 nan 8.270 nan 0.000 0.433 397 Y N 1.437 121.732 120.300 -0.008 0.000 2.165 397 Y HA -0.224 4.326 4.550 -0.001 0.000 0.286 397 Y C 2.122 178.022 175.900 -0.000 0.000 1.155 397 Y CA 1.754 59.850 58.100 -0.007 0.000 1.164 397 Y CB -0.195 38.257 38.460 -0.013 0.000 0.978 397 Y HN -0.056 nan 8.280 nan 0.000 0.513 398 R N 0.275 120.537 120.500 -0.397 0.000 2.115 398 R HA -0.140 4.200 4.340 -0.001 0.000 0.230 398 R C 2.392 178.538 176.300 -0.257 0.000 1.111 398 R CA 1.274 57.106 56.100 -0.447 0.000 0.976 398 R CB -0.310 29.889 30.300 -0.168 0.000 0.870 398 R HN 0.387 nan 8.270 nan 0.000 0.445 399 E N 0.570 120.686 120.200 -0.141 0.000 2.072 399 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 399 E C 1.829 178.395 176.600 -0.057 0.000 0.985 399 E CA 1.307 57.661 56.400 -0.076 0.000 0.801 399 E CB 0.165 29.834 29.700 -0.052 0.000 0.750 399 E HN 0.127 nan 8.360 nan 0.000 0.452 400 V N 1.362 121.232 119.914 -0.072 0.000 2.453 400 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 400 V C 2.599 178.664 176.094 -0.047 0.000 1.048 400 V CA 1.483 63.784 62.300 0.001 0.000 1.049 400 V CB -0.860 30.977 31.823 0.023 0.000 0.672 400 V HN 0.300 nan 8.190 nan 0.000 0.457 401 A N 0.449 123.139 122.820 -0.217 0.000 1.883 401 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 401 A C 2.450 179.924 177.584 -0.183 0.000 1.186 401 A CA 2.227 54.114 52.037 -0.251 0.000 0.624 401 A CB -0.850 17.853 19.000 -0.495 0.000 0.822 401 A HN 0.562 nan 8.150 nan 0.000 0.444 402 A N -1.437 121.294 122.820 -0.148 0.000 1.902 402 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 402 A C 2.061 179.586 177.584 -0.099 0.000 1.181 402 A CA 1.663 53.642 52.037 -0.098 0.000 0.623 402 A CB -0.677 18.296 19.000 -0.046 0.000 0.818 402 A HN 0.735 nan 8.150 nan 0.000 0.443 403 F N 0.699 120.531 119.950 -0.197 0.000 2.259 403 F HA 0.151 4.678 4.527 -0.001 0.000 0.298 403 F C 2.110 177.639 175.800 -0.453 0.000 1.088 403 F CA 1.056 58.928 58.000 -0.213 0.000 1.358 403 F CB -0.119 38.818 39.000 -0.106 0.000 1.040 403 F HN 0.189 nan 8.300 nan 0.000 0.505 404 A N -0.253 122.280 122.820 -0.478 0.000 2.307 404 A HA 0.059 4.378 4.320 -0.001 0.000 0.218 404 A C 1.899 179.062 177.584 -0.701 0.000 1.228 404 A CA 0.098 51.765 52.037 -0.618 0.000 0.857 404 A CB -0.697 18.170 19.000 -0.222 0.000 0.897 404 A HN 0.535 nan 8.150 nan 0.000 0.495 405 Q N -0.249 119.110 119.800 -0.734 0.000 2.156 405 Q HA -0.200 4.139 4.340 -0.001 0.000 0.211 405 Q C -0.077 175.718 176.000 -0.342 0.000 0.995 405 Q CA 1.358 56.894 55.803 -0.446 0.000 0.877 405 Q CB -0.476 28.083 28.738 -0.299 0.000 0.920 405 Q HN 0.864 nan 8.270 nan 0.000 0.416 406 F N -0.952 118.928 119.950 -0.116 0.000 2.443 406 F HA 0.413 4.939 4.527 -0.001 0.000 0.353 406 F C 1.098 176.843 175.800 -0.091 0.000 1.101 406 F CA -0.933 57.009 58.000 -0.097 0.000 1.226 406 F CB 0.353 39.287 39.000 -0.110 0.000 1.140 406 F HN -0.190 nan 8.300 nan 0.000 0.557 407 G N 2.186 111.053 108.800 0.112 0.000 3.180 407 G HA2 0.269 4.228 3.960 -0.001 0.000 0.252 407 G HA3 0.269 4.228 3.960 -0.001 0.000 0.252 407 G C -0.059 174.890 174.900 0.081 0.000 0.871 407 G CA -0.265 44.868 45.100 0.056 0.000 1.979 407 G HN 0.858 nan 8.290 nan 0.000 0.624 408 S N 0.793 116.572 115.700 0.130 0.000 2.585 408 S HA 0.308 4.777 4.470 -0.001 0.000 0.277 408 S C 0.197 174.835 174.600 0.063 0.000 1.241 408 S CA -0.946 57.321 58.200 0.112 0.000 1.041 408 S CB 1.570 64.883 63.200 0.188 0.000 0.987 408 S HN 0.516 nan 8.310 nan 0.000 0.512 409 D N 2.271 122.700 120.400 0.049 0.000 2.661 409 D HA -0.067 4.572 4.640 -0.001 0.000 0.244 409 D C -0.487 175.840 176.300 0.046 0.000 1.196 409 D CA 0.381 54.405 54.000 0.039 0.000 0.881 409 D CB -0.146 40.674 40.800 0.033 0.000 1.141 409 D HN 0.463 nan 8.370 nan 0.000 0.530 410 L N 2.078 123.323 121.223 0.037 0.000 2.334 410 L HA 0.223 4.562 4.340 -0.001 0.000 0.276 410 L C 0.532 177.423 176.870 0.036 0.000 1.014 410 L CA -1.249 53.617 54.840 0.043 0.000 0.815 410 L CB 1.608 43.686 42.059 0.032 0.000 1.268 410 L HN 0.386 nan 8.230 nan 0.000 0.428 411 D N 1.567 121.992 120.400 0.041 0.000 2.371 411 D HA 0.174 4.813 4.640 -0.001 0.000 0.242 411 D C 0.958 177.271 176.300 0.022 0.000 1.218 411 D CA -0.067 53.951 54.000 0.029 0.000 0.945 411 D CB 0.948 41.766 40.800 0.030 0.000 1.137 411 D HN 0.527 nan 8.370 nan 0.000 0.464 412 A N 0.696 123.524 122.820 0.013 0.000 1.933 412 A HA 0.011 4.330 4.320 -0.001 0.000 0.218 412 A C 2.182 179.768 177.584 0.004 0.000 1.175 412 A CA 2.264 54.304 52.037 0.006 0.000 0.628 412 A CB -1.305 17.695 19.000 -0.000 0.000 0.814 412 A HN 0.711 nan 8.150 nan 0.000 0.444 413 A N -0.214 122.610 122.820 0.007 0.000 1.902 413 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 413 A C 2.445 180.038 177.584 0.015 0.000 1.181 413 A CA 2.508 54.548 52.037 0.005 0.000 0.623 413 A CB -1.373 17.630 19.000 0.005 0.000 0.818 413 A HN 0.732 nan 8.150 nan 0.000 0.443 414 T N -2.247 112.323 114.554 0.027 0.000 2.821 414 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 414 T C 1.914 176.639 174.700 0.042 0.000 1.046 414 T CA 1.426 63.551 62.100 0.042 0.000 1.139 414 T CB -0.435 68.469 68.868 0.060 0.000 0.871 414 T HN 0.566 nan 8.240 nan 0.000 0.454 415 Q N 0.463 120.280 119.800 0.028 0.000 2.084 415 Q HA -0.177 4.162 4.340 -0.001 0.000 0.202 415 Q C 2.561 178.568 176.000 0.013 0.000 0.978 415 Q CA 1.724 57.540 55.803 0.021 0.000 0.844 415 Q CB -0.247 28.498 28.738 0.012 0.000 0.898 415 Q HN 0.507 nan 8.270 nan 0.000 0.426 416 Q N 0.957 120.758 119.800 0.001 0.000 2.084 416 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 416 Q C 1.814 177.804 176.000 -0.016 0.000 0.978 416 Q CA 1.209 57.001 55.803 -0.018 0.000 0.844 416 Q CB -0.356 28.366 28.738 -0.027 0.000 0.898 416 Q HN 0.333 nan 8.270 nan 0.000 0.426 417 L N -0.513 120.717 121.223 0.011 0.000 2.083 417 L HA -0.104 4.236 4.340 -0.001 0.000 0.209 417 L C 2.085 179.006 176.870 0.085 0.000 1.083 417 L CA 1.374 56.235 54.840 0.036 0.000 0.752 417 L CB -0.258 41.838 42.059 0.062 0.000 0.899 417 L HN 0.318 nan 8.230 nan 0.000 0.433 418 L N -1.986 119.304 121.223 0.112 0.000 2.044 418 L HA -0.159 4.181 4.340 -0.001 0.000 0.205 418 L C 2.505 179.407 176.870 0.052 0.000 1.075 418 L CA 1.142 56.098 54.840 0.193 0.000 0.747 418 L CB -0.584 41.562 42.059 0.145 0.000 0.903 418 L HN 0.180 nan 8.230 nan 0.000 0.435 419 S N -0.198 115.499 115.700 -0.005 0.000 2.353 419 S HA -0.253 4.216 4.470 -0.001 0.000 0.222 419 S C 2.015 176.540 174.600 -0.126 0.000 1.035 419 S CA 1.615 59.783 58.200 -0.053 0.000 1.025 419 S CB -0.309 62.863 63.200 -0.047 0.000 0.902 419 S HN 0.272 nan 8.310 nan 0.000 0.440 420 R N 1.541 121.957 120.500 -0.140 0.000 2.073 420 R HA -0.032 4.307 4.340 -0.001 0.000 0.234 420 R C 2.351 178.464 176.300 -0.312 0.000 1.134 420 R CA 1.964 57.951 56.100 -0.188 0.000 0.952 420 R CB -1.327 28.884 30.300 -0.149 0.000 0.850 420 R HN 0.376 nan 8.270 nan 0.000 0.433 421 G N -0.451 108.052 108.800 -0.494 0.000 2.440 421 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 421 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 421 G C 1.477 175.690 174.900 -1.145 0.000 1.154 421 G CA 1.014 45.434 45.100 -1.133 0.000 0.767 421 G HN 0.256 nan 8.290 nan 0.000 0.552 422 V N 0.476 119.956 119.914 -0.723 0.000 2.343 422 V HA -0.172 3.947 4.120 -0.001 0.000 0.247 422 V C 2.969 178.946 176.094 -0.196 0.000 1.051 422 V CA 2.198 64.337 62.300 -0.268 0.000 1.036 422 V CB -0.405 31.383 31.823 -0.058 0.000 0.654 422 V HN 0.294 nan 8.190 nan 0.000 0.451 423 R N -0.593 119.782 120.500 -0.208 0.000 2.093 423 R HA 0.050 4.389 4.340 -0.001 0.000 0.224 423 R C 2.221 178.426 176.300 -0.159 0.000 1.101 423 R CA 1.025 57.029 56.100 -0.160 0.000 0.979 423 R CB -0.299 29.902 30.300 -0.164 0.000 0.877 423 R HN 0.402 nan 8.270 nan 0.000 0.441 424 L N -0.146 120.959 121.223 -0.197 0.000 2.141 424 L HA -0.146 4.193 4.340 -0.001 0.000 0.209 424 L C 2.048 178.847 176.870 -0.119 0.000 1.094 424 L CA 1.242 55.989 54.840 -0.155 0.000 0.763 424 L CB -0.636 41.322 42.059 -0.169 0.000 0.908 424 L HN 0.248 nan 8.230 nan 0.000 0.437 425 T N -0.886 113.584 114.554 -0.141 0.000 2.746 425 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 425 T C 1.791 176.465 174.700 -0.043 0.000 1.039 425 T CA 1.134 63.196 62.100 -0.065 0.000 1.142 425 T CB -0.107 68.748 68.868 -0.022 0.000 0.866 425 T HN 0.284 nan 8.240 nan 0.000 0.444 426 E N 1.099 121.268 120.200 -0.051 0.000 2.110 426 E HA -0.006 4.344 4.350 -0.001 0.000 0.193 426 E C 2.305 178.889 176.600 -0.027 0.000 0.988 426 E CA 0.631 57.012 56.400 -0.032 0.000 0.804 426 E CB -0.486 29.197 29.700 -0.028 0.000 0.745 426 E HN 0.444 nan 8.360 nan 0.000 0.458 427 L N 0.286 121.485 121.223 -0.040 0.000 2.131 427 L HA -0.135 4.205 4.340 -0.001 0.000 0.210 427 L C 2.237 179.099 176.870 -0.014 0.000 1.092 427 L CA 0.736 55.562 54.840 -0.024 0.000 0.759 427 L CB -0.183 41.852 42.059 -0.040 0.000 0.903 427 L HN 0.110 nan 8.230 nan 0.000 0.435 428 L N -0.868 120.342 121.223 -0.023 0.000 2.591 428 L HA -0.000 4.339 4.340 -0.001 0.000 0.228 428 L C 0.778 177.634 176.870 -0.023 0.000 1.133 428 L CA 0.062 54.892 54.840 -0.018 0.000 0.880 428 L CB -0.186 41.863 42.059 -0.016 0.000 1.033 428 L HN 0.074 nan 8.230 nan 0.000 0.450 429 K N 1.403 121.786 120.400 -0.027 0.000 2.401 429 K HA 0.203 4.522 4.320 -0.001 0.000 0.278 429 K C -0.163 176.415 176.600 -0.036 0.000 1.018 429 K CA 0.305 56.568 56.287 -0.041 0.000 0.981 429 K CB 0.721 33.197 32.500 -0.041 0.000 0.933 429 K HN 0.013 nan 8.250 nan 0.000 0.477 430 Q N 0.740 120.508 119.800 -0.053 0.000 2.353 430 Q HA 0.336 4.676 4.340 -0.001 0.000 0.275 430 Q C -0.663 175.292 176.000 -0.075 0.000 1.029 430 Q CA -0.642 55.131 55.803 -0.049 0.000 0.848 430 Q CB 1.878 30.592 28.738 -0.040 0.000 1.390 430 Q HN 0.793 nan 8.270 nan 0.000 0.401 431 G N 1.333 110.093 108.800 -0.067 0.000 2.588 431 G HA2 0.225 4.185 3.960 -0.001 0.000 0.278 431 G HA3 0.225 4.185 3.960 -0.001 0.000 0.278 431 G C -0.647 174.170 174.900 -0.138 0.000 1.307 431 G CA -0.160 44.887 45.100 -0.089 0.000 1.016 431 G HN 0.576 nan 8.290 nan 0.000 0.503 432 Q N -1.749 117.923 119.800 -0.213 0.000 2.215 432 Q HA 0.391 4.731 4.340 -0.001 0.000 0.256 432 Q C -0.652 175.160 176.000 -0.313 0.000 0.972 432 Q CA -0.650 54.877 55.803 -0.459 0.000 0.889 432 Q CB 1.273 29.454 28.738 -0.928 0.000 1.281 432 Q HN 0.620 nan 8.270 nan 0.000 0.456 433 Y N -1.119 119.178 120.300 -0.006 0.000 4.490 433 Y HA -0.258 4.291 4.550 -0.001 0.000 0.233 433 Y C 0.030 175.922 175.900 -0.013 0.000 1.101 433 Y CA 0.233 58.327 58.100 -0.011 0.000 2.010 433 Y CB -1.756 36.696 38.460 -0.013 0.000 1.622 433 Y HN 0.331 nan 8.280 nan 0.000 0.675 434 S N 0.189 115.929 115.700 0.066 0.000 2.399 434 S HA 0.214 4.683 4.470 -0.001 0.000 0.198 434 S C -2.340 172.264 174.600 0.006 0.000 1.294 434 S CA -0.834 57.387 58.200 0.035 0.000 1.237 434 S CB 0.814 64.029 63.200 0.024 0.000 1.286 434 S HN 0.082 nan 8.310 nan 0.000 0.404 435 P HA 0.088 nan 4.420 nan 0.000 0.264 435 P C -0.499 176.791 177.300 -0.016 0.000 1.193 435 P CA 0.147 63.246 63.100 -0.002 0.000 0.763 435 P CB 0.372 32.079 31.700 0.011 0.000 0.810 436 M N 2.211 121.803 119.600 -0.013 0.000 2.233 436 M HA 0.386 4.865 4.480 -0.001 0.000 0.355 436 M C 0.780 177.068 176.300 -0.020 0.000 1.191 436 M CA -0.594 54.694 55.300 -0.019 0.000 1.101 436 M CB 1.356 33.951 32.600 -0.010 0.000 1.592 436 M HN 0.368 nan 8.290 nan 0.000 0.461 437 A N 2.327 125.122 122.820 -0.042 0.000 2.483 437 A HA 0.084 4.403 4.320 -0.001 0.000 0.238 437 A C 0.990 178.572 177.584 -0.004 0.000 1.070 437 A CA -0.339 51.674 52.037 -0.040 0.000 0.770 437 A CB 0.078 19.035 19.000 -0.071 0.000 1.008 437 A HN 0.945 nan 8.150 nan 0.000 0.497 438 I N 0.894 121.481 120.570 0.028 0.000 2.286 438 I HA -0.202 3.967 4.170 -0.001 0.000 0.248 438 I C 2.476 178.603 176.117 0.015 0.000 1.115 438 I CA 2.328 63.649 61.300 0.034 0.000 1.392 438 I CB -0.365 37.668 38.000 0.055 0.000 1.065 438 I HN 0.851 nan 8.210 nan 0.000 0.418 439 E N 0.474 120.675 120.200 0.002 0.000 2.150 439 E HA -0.258 4.092 4.350 -0.001 0.000 0.193 439 E C 1.758 178.344 176.600 -0.024 0.000 0.985 439 E CA 1.532 57.923 56.400 -0.014 0.000 0.814 439 E CB -0.718 28.965 29.700 -0.028 0.000 0.752 439 E HN 0.650 nan 8.360 nan 0.000 0.466 440 E N 0.945 121.127 120.200 -0.029 0.000 2.072 440 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 440 E C 2.362 178.965 176.600 0.005 0.000 0.985 440 E CA 1.144 57.523 56.400 -0.035 0.000 0.801 440 E CB -0.088 29.584 29.700 -0.047 0.000 0.750 440 E HN 0.393 nan 8.360 nan 0.000 0.452 441 Q N 0.425 120.234 119.800 0.015 0.000 2.061 441 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 441 Q C 2.441 178.474 176.000 0.055 0.000 0.984 441 Q CA 1.496 57.319 55.803 0.033 0.000 0.846 441 Q CB -0.159 28.595 28.738 0.026 0.000 0.902 441 Q HN 0.159 nan 8.270 nan 0.000 0.421 442 V N 1.124 121.067 119.914 0.049 0.000 2.332 442 V HA -0.305 3.814 4.120 -0.001 0.000 0.248 442 V C 2.300 178.464 176.094 0.117 0.000 1.055 442 V CA 1.849 64.192 62.300 0.072 0.000 1.038 442 V CB -1.028 30.823 31.823 0.047 0.000 0.651 442 V HN 0.416 nan 8.190 nan 0.000 0.450 443 A N 0.458 123.331 122.820 0.088 0.000 1.902 443 A HA -0.158 4.161 4.320 -0.001 0.000 0.217 443 A C 2.412 180.196 177.584 0.333 0.000 1.181 443 A CA 2.360 54.485 52.037 0.148 0.000 0.623 443 A CB -0.727 18.296 19.000 0.037 0.000 0.818 443 A HN 0.614 nan 8.150 nan 0.000 0.443 444 V N -1.933 118.134 119.914 0.255 0.000 2.323 444 V HA -0.143 3.976 4.120 -0.001 0.000 0.244 444 V C 2.160 178.344 176.094 0.149 0.000 1.041 444 V CA 1.497 63.950 62.300 0.255 0.000 1.025 444 V CB -0.961 30.972 31.823 0.184 0.000 0.656 444 V HN 0.377 nan 8.190 nan 0.000 0.451 445 I N 0.094 120.735 120.570 0.119 0.000 2.264 445 I HA -0.226 3.944 4.170 -0.001 0.000 0.248 445 I C 2.581 178.748 176.117 0.084 0.000 1.111 445 I CA 2.238 63.581 61.300 0.071 0.000 1.382 445 I CB -1.539 36.496 38.000 0.058 0.000 1.060 445 I HN 0.508 nan 8.210 nan 0.000 0.418 446 Y N 2.164 122.479 120.300 0.025 0.000 2.114 446 Y HA -0.314 4.235 4.550 -0.001 0.000 0.282 446 Y C 2.634 178.552 175.900 0.030 0.000 1.165 446 Y CA 2.361 60.480 58.100 0.032 0.000 1.148 446 Y CB -0.236 38.254 38.460 0.050 0.000 0.972 446 Y HN 0.135 nan 8.280 nan 0.000 0.504 447 A N -0.119 122.775 122.820 0.123 0.000 1.933 447 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 447 A C 2.412 179.944 177.584 -0.087 0.000 1.175 447 A CA 1.757 53.773 52.037 -0.035 0.000 0.628 447 A CB -1.611 17.227 19.000 -0.270 0.000 0.814 447 A HN 0.622 nan 8.150 nan 0.000 0.444 448 G N -1.245 107.485 108.800 -0.117 0.000 2.404 448 G HA2 -0.022 3.938 3.960 -0.001 0.000 0.213 448 G HA3 -0.022 3.938 3.960 -0.001 0.000 0.213 448 G C 1.560 176.364 174.900 -0.159 0.000 1.189 448 G CA 0.969 45.977 45.100 -0.153 0.000 0.796 448 G HN 0.435 nan 8.290 nan 0.000 0.532 449 V N 0.704 120.531 119.914 -0.145 0.000 2.626 449 V HA 0.031 4.150 4.120 -0.001 0.000 0.252 449 V C 2.473 178.434 176.094 -0.223 0.000 1.067 449 V CA 1.273 63.478 62.300 -0.158 0.000 1.081 449 V CB -0.319 31.437 31.823 -0.112 0.000 0.686 449 V HN 0.199 nan 8.190 nan 0.000 0.468 450 R N 0.001 120.318 120.500 -0.305 0.000 2.310 450 R HA 0.259 4.598 4.340 -0.001 0.000 0.202 450 R C 1.618 177.613 176.300 -0.508 0.000 0.933 450 R CA 0.794 56.656 56.100 -0.397 0.000 1.054 450 R CB -0.138 29.869 30.300 -0.489 0.000 0.985 450 R HN 0.651 nan 8.270 nan 0.000 0.489 451 G N 0.310 108.876 108.800 -0.390 0.000 2.159 451 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.227 451 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.227 451 G C 0.478 175.142 174.900 -0.394 0.000 0.986 451 G CA -0.010 44.864 45.100 -0.376 0.000 0.651 451 G HN 0.379 nan 8.290 nan 0.000 0.523 452 Y N 0.210 120.378 120.300 -0.219 0.000 2.509 452 Y HA 0.280 4.830 4.550 -0.001 0.000 0.293 452 Y C 2.608 178.334 175.900 -0.290 0.000 1.133 452 Y CA 1.235 59.209 58.100 -0.211 0.000 1.283 452 Y CB 0.058 38.398 38.460 -0.201 0.000 1.001 452 Y HN 0.373 nan 8.280 nan 0.000 0.555 453 L N -0.730 120.356 121.223 -0.229 0.000 2.607 453 L HA 0.029 4.368 4.340 -0.001 0.000 0.228 453 L C 0.984 177.743 176.870 -0.185 0.000 1.123 453 L CA 0.084 54.736 54.840 -0.313 0.000 0.890 453 L CB -0.102 41.726 42.059 -0.386 0.000 1.103 453 L HN 0.069 nan 8.230 nan 0.000 0.468 454 D N 1.199 121.509 120.400 -0.152 0.000 2.218 454 D HA -0.142 4.498 4.640 -0.001 0.000 0.204 454 D C 1.742 177.997 176.300 -0.074 0.000 0.976 454 D CA 1.252 55.182 54.000 -0.117 0.000 0.853 454 D CB 0.207 40.933 40.800 -0.124 0.000 0.939 454 D HN 0.165 nan 8.370 nan 0.000 0.481 455 K N -0.609 119.760 120.400 -0.053 0.000 2.353 455 K HA 0.150 4.469 4.320 -0.001 0.000 0.195 455 K C -0.021 176.584 176.600 0.009 0.000 1.031 455 K CA -0.247 56.030 56.287 -0.017 0.000 1.079 455 K CB 0.471 32.970 32.500 -0.002 0.000 0.857 455 K HN -0.039 nan 8.250 nan 0.000 0.535 456 L N 2.090 123.316 121.223 0.005 0.000 2.417 456 L HA 0.098 4.438 4.340 -0.001 0.000 0.268 456 L C 0.225 177.119 176.870 0.040 0.000 1.158 456 L CA 0.093 54.967 54.840 0.057 0.000 0.819 456 L CB 0.442 42.531 42.059 0.051 0.000 1.112 456 L HN 0.152 nan 8.230 nan 0.000 0.458 457 E N 4.624 124.865 120.200 0.069 0.000 2.415 457 E HA -0.031 4.319 4.350 -0.001 0.000 0.263 457 E C -1.505 175.124 176.600 0.049 0.000 0.995 457 E CA -1.125 55.306 56.400 0.050 0.000 0.915 457 E CB 0.345 30.078 29.700 0.055 0.000 0.951 457 E HN 0.426 nan 8.360 nan 0.000 0.449 458 P HA -0.254 nan 4.420 nan 0.000 0.217 458 P C 1.341 178.662 177.300 0.035 0.000 1.151 458 P CA 1.504 64.612 63.100 0.014 0.000 0.849 458 P CB 0.118 31.824 31.700 0.010 0.000 0.787 459 S N -1.170 114.559 115.700 0.047 0.000 2.474 459 S HA -0.071 4.398 4.470 -0.001 0.000 0.235 459 S C 1.530 176.185 174.600 0.091 0.000 0.997 459 S CA 0.908 59.142 58.200 0.056 0.000 0.949 459 S CB -0.727 62.501 63.200 0.047 0.000 0.766 459 S HN 0.204 nan 8.310 nan 0.000 0.517 460 K N 0.088 120.567 120.400 0.131 0.000 2.372 460 K HA 0.330 4.649 4.320 -0.001 0.000 0.200 460 K C 0.854 177.618 176.600 0.274 0.000 1.022 460 K CA -0.257 56.172 56.287 0.237 0.000 1.125 460 K CB 0.158 32.839 32.500 0.303 0.000 0.855 460 K HN 0.292 nan 8.250 nan 0.000 0.524 461 I N 1.268 121.921 120.570 0.139 0.000 2.202 461 I HA -0.198 3.972 4.170 -0.001 0.000 0.242 461 I C 1.915 178.103 176.117 0.119 0.000 1.091 461 I CA 1.703 63.045 61.300 0.071 0.000 1.368 461 I CB -1.174 36.818 38.000 -0.014 0.000 1.058 461 I HN 0.095 nan 8.210 nan 0.000 0.410 462 T N 0.806 115.425 114.554 0.108 0.000 2.788 462 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 462 T C 1.972 176.763 174.700 0.153 0.000 1.044 462 T CA 1.304 63.468 62.100 0.106 0.000 1.139 462 T CB -0.127 68.783 68.868 0.070 0.000 0.867 462 T HN 0.298 nan 8.240 nan 0.000 0.454 463 K N 0.229 120.755 120.400 0.210 0.000 2.026 463 K HA -0.108 4.211 4.320 -0.001 0.000 0.208 463 K C 2.093 178.873 176.600 0.301 0.000 1.048 463 K CA 1.262 57.718 56.287 0.281 0.000 0.929 463 K CB -0.345 32.382 32.500 0.377 0.000 0.713 463 K HN 0.365 nan 8.250 nan 0.000 0.439 464 F N 2.075 122.036 119.950 0.018 0.000 2.069 464 F HA -0.228 4.298 4.527 -0.001 0.000 0.298 464 F C 2.435 178.198 175.800 -0.061 0.000 1.113 464 F CA 2.050 59.831 58.000 -0.364 0.000 1.214 464 F CB -0.177 38.436 39.000 -0.645 0.000 0.978 464 F HN 0.193 nan 8.300 nan 0.000 0.474 465 E N 0.154 120.539 120.200 0.308 0.000 2.058 465 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 465 E C 1.947 178.627 176.600 0.134 0.000 0.997 465 E CA 1.573 58.122 56.400 0.248 0.000 0.801 465 E CB -0.206 29.599 29.700 0.175 0.000 0.746 465 E HN 0.430 nan 8.360 nan 0.000 0.450 466 N N 0.479 119.245 118.700 0.111 0.000 2.069 466 N HA -0.166 4.573 4.740 -0.001 0.000 0.191 466 N C 1.676 177.231 175.510 0.074 0.000 1.031 466 N CA 1.490 54.588 53.050 0.081 0.000 0.852 466 N CB -0.522 38.018 38.487 0.089 0.000 1.018 466 N HN 0.249 nan 8.380 nan 0.000 0.423 467 A N 0.266 123.155 122.820 0.115 0.000 1.930 467 A HA -0.077 4.242 4.320 -0.001 0.000 0.217 467 A C 2.091 179.750 177.584 0.126 0.000 1.175 467 A CA 0.790 52.936 52.037 0.182 0.000 0.627 467 A CB -0.777 18.414 19.000 0.318 0.000 0.815 467 A HN 0.287 nan 8.150 nan 0.000 0.443 468 F N 0.112 119.863 119.950 -0.332 0.000 2.163 468 F HA -0.056 4.470 4.527 -0.001 0.000 0.297 468 F C 1.786 177.397 175.800 -0.315 0.000 1.094 468 F CA 1.466 58.996 58.000 -0.783 0.000 1.290 468 F CB -0.341 37.991 39.000 -1.113 0.000 1.017 468 F HN 0.187 nan 8.300 nan 0.000 0.483 469 L N 0.612 121.661 121.223 -0.289 0.000 2.017 469 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 469 L C 2.724 179.452 176.870 -0.238 0.000 1.073 469 L CA 2.343 57.005 54.840 -0.297 0.000 0.745 469 L CB -1.288 40.714 42.059 -0.096 0.000 0.894 469 L HN 0.356 nan 8.230 nan 0.000 0.432 470 S N -2.043 113.587 115.700 -0.116 0.000 2.399 470 S HA -0.289 4.180 4.470 -0.001 0.000 0.231 470 S C 2.088 176.654 174.600 -0.057 0.000 1.022 470 S CA 1.222 59.384 58.200 -0.063 0.000 0.983 470 S CB -0.926 62.274 63.200 0.000 0.000 0.803 470 S HN 0.748 nan 8.310 nan 0.000 0.480 471 H N 2.089 121.065 119.070 -0.157 0.000 2.333 471 H HA 0.035 4.590 4.556 -0.001 0.000 0.302 471 H C 2.091 177.330 175.328 -0.148 0.000 1.075 471 H CA 2.125 58.108 56.048 -0.109 0.000 1.348 471 H CB -0.459 29.290 29.762 -0.022 0.000 1.393 471 H HN 0.327 nan 8.280 nan 0.000 0.509 472 V N -1.101 118.542 119.914 -0.453 0.000 2.667 472 V HA -0.080 4.039 4.120 -0.001 0.000 0.252 472 V C 2.336 178.265 176.094 -0.275 0.000 1.065 472 V CA 1.684 63.740 62.300 -0.406 0.000 1.083 472 V CB -0.756 30.725 31.823 -0.570 0.000 0.692 472 V HN 0.418 nan 8.190 nan 0.000 0.468 473 I N 0.910 121.332 120.570 -0.247 0.000 2.353 473 I HA -0.161 4.008 4.170 -0.001 0.000 0.248 473 I C 2.861 178.878 176.117 -0.166 0.000 1.119 473 I CA 1.777 62.973 61.300 -0.173 0.000 1.417 473 I CB -0.296 37.623 38.000 -0.135 0.000 1.078 473 I HN 0.427 nan 8.210 nan 0.000 0.421 474 S N -0.073 115.514 115.700 -0.188 0.000 2.345 474 S HA -0.217 4.252 4.470 -0.001 0.000 0.219 474 S C 1.970 176.428 174.600 -0.236 0.000 1.031 474 S CA 1.517 59.615 58.200 -0.170 0.000 0.984 474 S CB -0.007 63.122 63.200 -0.118 0.000 0.874 474 S HN 0.447 nan 8.310 nan 0.000 0.451 475 Q N -1.474 118.089 119.800 -0.395 0.000 2.350 475 Q HA 0.157 4.496 4.340 -0.001 0.000 0.225 475 Q C -0.179 175.410 176.000 -0.686 0.000 0.878 475 Q CA 0.192 55.667 55.803 -0.547 0.000 0.935 475 Q CB 0.420 28.733 28.738 -0.710 0.000 1.099 475 Q HN 0.674 nan 8.270 nan 0.000 0.527 476 H N -0.277 118.628 119.070 -0.276 0.000 2.534 476 H HA 0.208 4.763 4.556 -0.001 0.000 0.250 476 H C 0.602 175.825 175.328 -0.174 0.000 1.256 476 H CA -0.319 55.602 56.048 -0.211 0.000 1.000 476 H CB 0.803 30.422 29.762 -0.237 0.000 1.801 476 H HN 0.065 nan 8.280 nan 0.000 0.569 477 Q N 0.582 120.327 119.800 -0.092 0.000 2.226 477 Q HA -0.064 4.276 4.340 -0.001 0.000 0.204 477 Q C 2.211 178.178 176.000 -0.055 0.000 0.975 477 Q CA 1.077 56.833 55.803 -0.079 0.000 0.866 477 Q CB 0.095 28.781 28.738 -0.086 0.000 0.915 477 Q HN 0.655 nan 8.270 nan 0.000 0.440 478 A N 0.568 123.363 122.820 -0.043 0.000 1.930 478 A HA -0.123 4.196 4.320 -0.001 0.000 0.217 478 A C 2.112 179.682 177.584 -0.024 0.000 1.175 478 A CA 0.823 52.843 52.037 -0.029 0.000 0.627 478 A CB -0.542 18.446 19.000 -0.021 0.000 0.815 478 A HN 0.343 nan 8.150 nan 0.000 0.443 479 L N -0.658 120.556 121.223 -0.016 0.000 2.044 479 L HA -0.080 4.259 4.340 -0.001 0.000 0.205 479 L C 2.507 179.341 176.870 -0.060 0.000 1.075 479 L CA 1.067 55.882 54.840 -0.041 0.000 0.747 479 L CB -0.276 41.745 42.059 -0.063 0.000 0.903 479 L HN 0.403 nan 8.230 nan 0.000 0.435 480 L N -0.337 120.846 121.223 -0.066 0.000 2.012 480 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 480 L C 3.016 179.855 176.870 -0.052 0.000 1.073 480 L CA 1.540 56.338 54.840 -0.071 0.000 0.748 480 L CB -1.034 40.974 42.059 -0.085 0.000 0.891 480 L HN 0.392 nan 8.230 nan 0.000 0.431 481 S N 0.027 115.699 115.700 -0.047 0.000 2.399 481 S HA -0.242 4.227 4.470 -0.001 0.000 0.231 481 S C 2.136 176.719 174.600 -0.028 0.000 1.022 481 S CA 1.810 59.989 58.200 -0.036 0.000 0.983 481 S CB -0.260 nan 63.200 nan 0.000 0.803 481 S HN 0.117 nan 8.310 nan 0.000 0.480 482 K N 0.817 121.198 120.400 -0.030 0.000 2.103 482 K HA 0.223 4.542 4.320 -0.001 0.000 0.204 482 K C 1.612 178.197 176.600 -0.025 0.000 1.052 482 K CA 0.772 57.044 56.287 -0.025 0.000 0.945 482 K CB -0.364 32.120 32.500 -0.027 0.000 0.722 482 K HN 0.562 nan 8.250 nan 0.000 0.443 483 I N -0.105 120.446 120.570 -0.033 0.000 2.315 483 I HA -0.205 3.964 4.170 -0.001 0.000 0.248 483 I C 2.499 178.607 176.117 -0.015 0.000 1.117 483 I CA 0.943 62.226 61.300 -0.028 0.000 1.404 483 I CB -0.179 37.796 38.000 -0.040 0.000 1.071 483 I HN 0.146 nan 8.210 nan 0.000 0.419 484 R N 0.474 120.965 120.500 -0.014 0.000 2.075 484 R HA -0.126 4.213 4.340 -0.001 0.000 0.232 484 R C 2.226 178.528 176.300 0.004 0.000 1.126 484 R CA 1.882 57.982 56.100 -0.001 0.000 0.963 484 R CB -0.144 30.153 30.300 -0.004 0.000 0.858 484 R HN 0.242 nan 8.270 nan 0.000 0.435 485 T N 0.740 115.292 114.554 -0.004 0.000 2.732 485 T HA -0.071 4.278 4.350 -0.001 0.000 0.261 485 T C 1.037 175.734 174.700 -0.003 0.000 1.040 485 T CA 1.505 63.603 62.100 -0.002 0.000 1.145 485 T CB -0.286 68.578 68.868 -0.006 0.000 0.866 485 T HN 0.288 nan 8.240 nan 0.000 0.427 486 D N 0.544 120.940 120.400 -0.006 0.000 2.178 486 D HA 0.101 4.740 4.640 -0.001 0.000 0.202 486 D C 1.723 178.020 176.300 -0.005 0.000 0.974 486 D CA 1.241 55.237 54.000 -0.006 0.000 0.841 486 D CB -0.578 40.217 40.800 -0.008 0.000 0.953 486 D HN 0.511 nan 8.370 nan 0.000 0.478 487 G N 0.479 109.277 108.800 -0.004 0.000 2.155 487 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.257 487 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.257 487 G C 0.195 175.094 174.900 -0.001 0.000 0.983 487 G CA 0.946 46.044 45.100 -0.003 0.000 0.676 487 G HN 0.592 nan 8.290 nan 0.000 0.528 488 K N -1.341 119.058 120.400 -0.002 0.000 2.548 488 K HA 0.770 5.089 4.320 -0.001 0.000 0.282 488 K C -0.718 175.881 176.600 -0.002 0.000 1.006 488 K CA -1.442 54.846 56.287 0.003 0.000 0.892 488 K CB 1.316 33.818 32.500 0.004 0.000 1.499 488 K HN 0.102 nan 8.250 nan 0.000 0.433 489 I N 2.928 123.502 120.570 0.007 0.000 2.287 489 I HA 0.118 4.287 4.170 -0.001 0.000 0.290 489 I C 0.272 176.393 176.117 0.007 0.000 1.069 489 I CA -0.545 60.754 61.300 -0.002 0.000 1.237 489 I CB 1.265 39.273 38.000 0.013 0.000 1.418 489 I HN 0.781 nan 8.210 nan 0.000 0.481 490 S N 3.649 119.347 115.700 -0.003 0.000 2.606 490 S HA 0.146 4.615 4.470 -0.001 0.000 0.257 490 S C 0.946 175.551 174.600 0.008 0.000 1.327 490 S CA -0.457 57.744 58.200 0.003 0.000 0.984 490 S CB 0.974 64.172 63.200 -0.003 0.000 0.941 490 S HN 0.647 nan 8.310 nan 0.000 0.576 491 E N 0.200 120.408 120.200 0.013 0.000 2.204 491 E HA -0.165 4.185 4.350 -0.001 0.000 0.194 491 E C 1.938 178.546 176.600 0.015 0.000 0.989 491 E CA 1.169 57.581 56.400 0.020 0.000 0.824 491 E CB -0.079 29.633 29.700 0.020 0.000 0.756 491 E HN 0.853 nan 8.360 nan 0.000 0.477 492 E N 0.325 120.528 120.200 0.004 0.000 2.072 492 E HA -0.115 4.234 4.350 -0.001 0.000 0.190 492 E C 1.947 178.537 176.600 -0.016 0.000 0.982 492 E CA 0.981 57.381 56.400 -0.001 0.000 0.803 492 E CB 0.150 29.849 29.700 -0.002 0.000 0.755 492 E HN -0.002 nan 8.360 nan 0.000 0.453 493 S N 0.668 116.351 115.700 -0.029 0.000 2.382 493 S HA -0.183 4.286 4.470 -0.001 0.000 0.228 493 S C 1.529 176.073 174.600 -0.094 0.000 1.027 493 S CA 1.435 59.596 58.200 -0.064 0.000 0.991 493 S CB -0.310 62.850 63.200 -0.067 0.000 0.823 493 S HN 0.387 nan 8.310 nan 0.000 0.469 494 D N 1.334 121.709 120.400 -0.041 0.000 2.144 494 D HA 0.003 4.643 4.640 -0.001 0.000 0.200 494 D C 1.927 178.247 176.300 0.034 0.000 0.978 494 D CA 1.182 55.184 54.000 0.004 0.000 0.833 494 D CB -0.253 40.600 40.800 0.088 0.000 0.961 494 D HN 0.310 nan 8.370 nan 0.000 0.470 495 A N 0.296 123.131 122.820 0.024 0.000 1.898 495 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 495 A C 2.129 179.717 177.584 0.007 0.000 1.181 495 A CA 1.310 53.367 52.037 0.034 0.000 0.620 495 A CB -0.385 18.633 19.000 0.029 0.000 0.819 495 A HN 0.171 nan 8.150 nan 0.000 0.442 496 K N -0.392 119.989 120.400 -0.032 0.000 2.026 496 K HA -0.026 4.294 4.320 -0.001 0.000 0.208 496 K C 1.885 178.413 176.600 -0.119 0.000 1.048 496 K CA 1.359 57.608 56.287 -0.064 0.000 0.929 496 K CB -0.408 32.047 32.500 -0.075 0.000 0.713 496 K HN 0.420 nan 8.250 nan 0.000 0.439 497 L N 1.356 122.471 121.223 -0.181 0.000 2.012 497 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 497 L C 2.633 179.443 176.870 -0.101 0.000 1.073 497 L CA 1.429 56.107 54.840 -0.270 0.000 0.748 497 L CB -0.357 41.281 42.059 -0.702 0.000 0.891 497 L HN 0.192 nan 8.230 nan 0.000 0.431 498 K N 0.118 120.540 120.400 0.037 0.000 2.032 498 K HA -0.276 4.044 4.320 -0.001 0.000 0.209 498 K C 2.108 178.731 176.600 0.038 0.000 1.048 498 K CA 1.872 58.240 56.287 0.136 0.000 0.927 498 K CB -0.088 32.533 32.500 0.202 0.000 0.712 498 K HN 0.280 nan 8.250 nan 0.000 0.441 499 E N 0.389 120.606 120.200 0.027 0.000 2.077 499 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 499 E C 2.003 178.619 176.600 0.027 0.000 0.989 499 E CA 1.251 57.671 56.400 0.033 0.000 0.800 499 E CB -0.038 29.682 29.700 0.032 0.000 0.746 499 E HN 0.371 nan 8.360 nan 0.000 0.452 500 I N 0.734 121.297 120.570 -0.011 0.000 2.163 500 I HA -0.238 3.931 4.170 -0.001 0.000 0.240 500 I C 2.579 178.745 176.117 0.082 0.000 1.081 500 I CA 1.106 62.427 61.300 0.036 0.000 1.353 500 I CB -0.289 37.662 38.000 -0.081 0.000 1.054 500 I HN 0.122 nan 8.210 nan 0.000 0.407 501 V N -1.317 118.551 119.914 -0.077 0.000 2.427 501 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 501 V C 2.531 178.521 176.094 -0.174 0.000 1.051 501 V CA 1.985 64.127 62.300 -0.264 0.000 1.048 501 V CB -1.928 29.452 31.823 -0.739 0.000 0.666 501 V HN 0.573 nan 8.190 nan 0.000 0.456 502 T N -0.672 113.799 114.554 -0.138 0.000 2.674 502 T HA -0.216 4.133 4.350 -0.001 0.000 0.265 502 T C 1.875 176.644 174.700 0.115 0.000 1.039 502 T CA 1.890 64.028 62.100 0.063 0.000 1.150 502 T CB -0.838 68.104 68.868 0.123 0.000 0.864 502 T HN 0.496 nan 8.240 nan 0.000 0.427 503 N N 0.612 119.376 118.700 0.108 0.000 2.188 503 N HA 0.021 4.760 4.740 -0.001 0.000 0.184 503 N C 1.564 177.148 175.510 0.124 0.000 1.018 503 N CA 0.952 54.067 53.050 0.108 0.000 0.858 503 N CB -0.483 38.063 38.487 0.099 0.000 0.989 503 N HN 0.470 nan 8.380 nan 0.000 0.426 504 F N 1.936 121.893 119.950 0.012 0.000 2.146 504 F HA -0.052 4.474 4.527 -0.001 0.000 0.298 504 F C 2.232 178.076 175.800 0.073 0.000 1.096 504 F CA 0.821 58.814 58.000 -0.012 0.000 1.275 504 F CB -0.134 38.841 39.000 -0.042 0.000 1.008 504 F HN -0.048 nan 8.300 nan 0.000 0.480 505 L N 0.216 121.662 121.223 0.373 0.000 2.093 505 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 505 L C 2.447 179.465 176.870 0.246 0.000 1.085 505 L CA 1.819 56.901 54.840 0.404 0.000 0.755 505 L CB -1.292 40.977 42.059 0.351 0.000 0.904 505 L HN 0.295 nan 8.230 nan 0.000 0.435 506 A N -0.342 122.570 122.820 0.154 0.000 1.972 506 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 506 A C 2.268 179.880 177.584 0.046 0.000 1.169 506 A CA 1.535 53.629 52.037 0.095 0.000 0.635 506 A CB -0.976 18.068 19.000 0.073 0.000 0.810 506 A HN 0.519 nan 8.150 nan 0.000 0.446 507 G N -1.961 106.837 108.800 -0.003 0.000 2.408 507 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.215 507 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.215 507 G C 1.389 176.245 174.900 -0.073 0.000 1.156 507 G CA 0.854 45.907 45.100 -0.080 0.000 0.793 507 G HN 0.446 nan 8.290 nan 0.000 0.535 508 F N 1.409 121.243 119.950 -0.193 0.000 2.186 508 F HA 0.098 4.624 4.527 -0.001 0.000 0.299 508 F C 2.602 178.399 175.800 -0.004 0.000 1.090 508 F CA 1.429 59.358 58.000 -0.117 0.000 1.307 508 F CB 0.162 39.160 39.000 -0.005 0.000 1.019 508 F HN 0.194 nan 8.300 nan 0.000 0.489 509 E N 0.377 120.666 120.200 0.149 0.000 2.150 509 E HA -0.035 4.315 4.350 -0.001 0.000 0.193 509 E C 1.163 177.746 176.600 -0.029 0.000 0.985 509 E CA 0.430 56.876 56.400 0.077 0.000 0.814 509 E CB -0.174 29.593 29.700 0.112 0.000 0.752 509 E HN 0.383 nan 8.360 nan 0.000 0.466 510 A N 0.000 122.790 122.820 -0.049 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 510 A CA 0.000 51.997 52.037 -0.066 0.000 0.836 510 A CB 0.000 18.971 19.000 -0.049 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486