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 2ck3_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 GKIRTDGKIS 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 1.630 117.333 115.700 0.006 0.000 2.456 22 S HA 0.608 5.078 4.470 -0.000 0.000 0.316 22 S C 0.742 175.347 174.600 0.008 0.000 1.089 22 S CA -0.609 57.595 58.200 0.005 0.000 1.101 22 S CB 1.173 64.377 63.200 0.006 0.000 0.995 22 S HN 0.740 nan 8.310 nan 0.000 0.468 23 V N 2.167 122.084 119.914 0.005 0.000 3.398 23 V HA 0.176 4.296 4.120 -0.000 0.000 0.298 23 V C 0.196 176.290 176.094 -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 31.994 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 4.854 4.640 -0.000 0.000 0.245 24 D C 0.582 176.865 176.300 -0.028 0.000 1.263 24 D CA 0.251 54.241 54.000 -0.017 0.000 0.936 24 D CB 0.249 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 3.297 124.493 121.223 -0.045 0.000 2.848 25 L HA 0.224 4.564 4.340 -0.000 0.000 0.240 25 L C 1.469 178.288 176.870 -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 42.016 42.059 -0.138 0.000 1.338 25 L HN 0.478 nan 8.230 nan 0.000 0.509 26 E N 0.059 120.225 120.200 -0.058 0.000 2.102 26 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 26 E C 1.191 177.760 176.600 -0.051 0.000 0.971 26 E CA 0.662 57.031 56.400 -0.051 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 0.215 120.387 120.200 -0.046 0.000 2.460 27 E HA 0.035 4.385 4.350 -0.000 0.000 0.200 27 E C 0.727 177.295 176.600 -0.054 0.000 1.011 27 E CA 0.450 56.823 56.400 -0.045 0.000 0.912 27 E CB 1.017 30.696 29.700 -0.035 0.000 0.953 27 E HN 0.211 nan 8.360 nan 0.000 0.494 28 T N -2.378 112.142 114.554 -0.057 0.000 2.887 28 T HA 0.789 5.139 4.350 -0.000 0.000 0.292 28 T C 0.270 174.927 174.700 -0.072 0.000 1.087 28 T CA -0.541 61.523 62.100 -0.061 0.000 1.009 28 T CB 2.549 71.392 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 -0.000 0.000 0.296 29 G HA3 0.690 4.649 3.960 -0.000 0.000 0.296 29 G C -1.729 173.172 174.900 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 -0.281 120.255 120.500 0.061 0.000 2.628 30 R HA 0.464 4.804 4.340 -0.000 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 5.132 125.128 119.914 0.136 0.000 2.485 31 V HA -0.009 4.111 4.120 -0.000 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 0.375 32.304 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 0.124 4.464 4.340 -0.000 0.000 0.201 32 L C 1.001 177.896 176.870 0.041 0.000 1.075 32 L CA 0.902 55.776 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 -1.078 114.651 115.700 0.048 0.000 2.579 33 S HA 0.660 5.130 4.470 -0.000 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 0.332 120.905 120.570 0.005 0.000 2.610 34 I HA 0.828 4.998 4.170 -0.000 0.000 0.289 34 I C -0.511 175.589 176.117 -0.029 0.000 1.163 34 I CA 0.278 61.567 61.300 -0.018 0.000 1.044 34 I CB 1.493 39.465 38.000 -0.047 0.000 1.251 34 I HN 1.268 nan 8.210 nan 0.000 0.424 35 G N 4.682 113.461 108.800 -0.035 0.000 2.716 35 G HA2 0.419 4.379 3.960 -0.000 0.000 0.299 35 G HA3 0.419 4.379 3.960 -0.000 0.000 0.299 35 G C -1.207 173.668 174.900 -0.041 0.000 1.450 35 G CA -0.560 44.519 45.100 -0.036 0.000 0.968 35 G HN 0.647 nan 8.290 nan 0.000 0.566 36 D N 0.166 120.539 120.400 -0.044 0.000 2.708 36 D HA -0.190 4.450 4.640 -0.000 0.000 0.236 36 D C 1.613 177.879 176.300 -0.057 0.000 1.146 36 D CA 2.677 56.648 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 2.148 37 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.254 37 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.254 37 G C 0.177 175.037 174.900 -0.067 0.000 0.981 37 G CA 0.358 45.410 45.100 -0.080 0.000 0.670 37 G HN 0.484 nan 8.290 nan 0.000 0.528 38 I N 0.782 121.324 120.570 -0.047 0.000 2.418 38 I HA 0.691 4.861 4.170 -0.000 0.000 0.287 38 I C 0.423 176.545 176.117 0.008 0.000 1.008 38 I CA -1.249 60.042 61.300 -0.015 0.000 1.104 38 I CB 1.172 39.160 38.000 -0.019 0.000 1.264 38 I HN 0.321 nan 8.210 nan 0.000 0.438 39 A N 7.644 130.504 122.820 0.066 0.000 2.288 39 A HA 0.726 5.046 4.320 -0.000 0.000 0.320 39 A C -0.058 177.603 177.584 0.129 0.000 1.217 39 A CA -0.730 51.377 52.037 0.117 0.000 0.840 39 A CB 0.881 20.034 19.000 0.255 0.000 1.179 39 A HN 0.566 nan 8.150 nan 0.000 0.504 40 R N 1.721 122.279 120.500 0.096 0.000 2.265 40 R HA 0.490 4.830 4.340 -0.000 0.000 0.319 40 R C -1.069 175.294 176.300 0.105 0.000 1.006 40 R CA -0.334 55.816 56.100 0.084 0.000 0.880 40 R CB 1.273 31.607 30.300 0.056 0.000 1.077 40 R HN 0.447 nan 8.270 nan 0.000 0.454 41 V N 3.317 123.289 119.914 0.098 0.000 2.495 41 V HA 0.170 4.290 4.120 -0.000 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 1.521 33.376 31.823 0.053 0.000 0.988 41 V HN 0.703 nan 8.190 nan 0.000 0.432 42 H N 2.990 122.073 119.070 0.022 0.000 2.562 42 H HA 0.662 5.218 4.556 -0.000 0.000 0.352 42 H C 0.593 175.923 175.328 0.003 0.000 1.125 42 H CA 1.381 57.436 56.048 0.012 0.000 1.379 42 H CB 1.182 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 2.779 111.213 108.800 -0.610 0.000 2.496 43 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.243 43 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.243 43 G C -0.076 174.707 174.900 -0.194 0.000 1.176 43 G CA -0.331 44.508 45.100 -0.434 0.000 0.940 43 G HN 1.268 nan 8.290 nan 0.000 0.573 44 L N -0.370 120.770 121.223 -0.139 0.000 3.660 44 L HA -0.215 4.125 4.340 -0.000 0.000 0.440 44 L C 2.273 179.097 176.870 -0.077 0.000 1.262 44 L CA 0.768 55.552 54.840 -0.093 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 0.123 120.574 120.500 -0.082 0.000 2.127 45 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 45 R C 1.365 177.640 176.300 -0.042 0.000 1.134 45 R CA 1.457 57.520 56.100 -0.061 0.000 0.975 45 R CB -0.215 30.049 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 4.734 4.740 -0.000 0.000 0.192 46 N C 0.037 175.529 175.510 -0.029 0.000 1.109 46 N CA -0.018 53.013 53.050 -0.031 0.000 0.855 46 N CB 0.417 38.886 38.487 -0.029 0.000 0.974 46 N HN -0.089 nan 8.380 nan 0.000 0.482 47 V N 1.527 121.420 119.914 -0.034 0.000 2.763 47 V HA -0.028 4.092 4.120 -0.000 0.000 0.306 47 V C 0.235 176.318 176.094 -0.018 0.000 1.059 47 V CA 0.097 62.379 62.300 -0.031 0.000 1.138 47 V CB 0.743 32.543 31.823 -0.039 0.000 0.940 47 V HN 0.241 nan 8.190 nan 0.000 0.489 48 Q N 3.841 123.632 119.800 -0.014 0.000 2.221 48 Q HA 0.637 4.977 4.340 -0.000 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 1.412 30.147 28.738 -0.004 0.000 1.226 48 Q HN 0.956 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 -0.000 0.000 0.245 49 A C 0.114 177.713 177.584 0.026 0.000 1.072 49 A CA 0.291 52.340 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 -0.513 119.709 120.200 0.038 0.000 3.628 50 E HA -0.202 4.147 4.350 -0.000 0.000 0.309 50 E C 0.194 176.818 176.600 0.039 0.000 0.839 50 E CA 1.207 57.637 56.400 0.049 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 0.730 120.943 120.200 0.023 0.000 2.360 51 E HA 0.204 4.554 4.350 -0.000 0.000 0.269 51 E C -0.115 176.490 176.600 0.009 0.000 1.022 51 E CA -0.314 56.089 56.400 0.005 0.000 0.887 51 E CB 0.588 30.283 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 -0.012 0.000 2.200 52 M HA 0.124 4.604 4.480 -0.000 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 0.815 33.371 32.600 -0.073 0.000 1.625 52 M HN 0.327 nan 8.290 nan 0.000 0.463 53 V N 1.694 121.576 119.914 -0.055 0.000 3.103 53 V HA 0.751 4.871 4.120 -0.000 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 0.668 120.754 120.200 -0.190 0.000 2.224 54 E HA 0.539 4.889 4.350 -0.000 0.000 0.265 54 E C -1.585 174.913 176.600 -0.171 0.000 0.878 54 E CA -0.688 55.651 56.400 -0.102 0.000 0.759 54 E CB 1.612 31.297 29.700 -0.024 0.000 1.164 54 E HN 0.606 nan 8.360 nan 0.000 0.414 55 F N 1.726 121.695 119.950 0.032 0.000 2.378 55 F HA 0.093 4.620 4.527 -0.000 0.000 0.319 55 F C 2.064 177.879 175.800 0.024 0.000 1.155 55 F CA 0.064 58.082 58.000 0.031 0.000 1.157 55 F CB 1.021 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 0.535 116.371 115.700 0.225 0.000 2.380 56 S HA -0.247 4.223 4.470 -0.000 0.000 0.229 56 S C 2.177 176.844 174.600 0.111 0.000 1.043 56 S CA 2.160 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 -0.625 115.151 115.700 0.128 0.000 2.481 57 S HA 0.312 4.782 4.470 -0.000 0.000 0.231 57 S C 1.644 176.295 174.600 0.084 0.000 0.996 57 S CA 1.179 59.429 58.200 0.084 0.000 0.942 57 S CB -0.310 62.924 63.200 0.057 0.000 0.768 57 S HN 1.382 nan 8.310 nan 0.000 0.520 58 G N 0.472 109.343 108.800 0.117 0.000 2.253 58 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.209 58 G HA3 -0.168 3.792 3.960 -0.000 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 1.203 122.529 121.223 0.171 0.000 2.506 59 L HA 0.291 4.631 4.340 -0.000 0.000 0.281 59 L C 0.888 177.968 176.870 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 42.605 42.059 0.116 0.000 1.110 59 L HN 0.153 nan 8.230 nan 0.000 0.496 60 K N 1.224 121.800 120.400 0.293 0.000 2.166 60 K HA 0.743 5.063 4.320 -0.000 0.000 0.245 60 K C -0.153 176.736 176.600 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 34.515 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 -0.000 0.000 0.293 61 G HA3 0.484 4.444 3.960 -0.000 0.000 0.293 61 G C -1.755 173.367 174.900 0.370 0.000 1.421 61 G CA -0.753 44.695 45.100 0.581 0.000 0.870 61 G HN 0.466 nan 8.290 nan 0.000 0.492 62 M N 1.190 121.058 119.600 0.446 0.000 2.268 62 M HA 0.469 4.949 4.480 -0.000 0.000 0.344 62 M C -0.217 176.183 176.300 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 6.034 121.792 115.700 0.098 0.000 2.701 63 S HA 0.243 4.713 4.470 -0.000 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 -0.173 63.042 63.200 0.025 0.000 1.257 63 S HN 0.715 nan 8.310 nan 0.000 0.532 64 L N 1.699 122.956 121.223 0.057 0.000 2.298 64 L HA 0.202 4.542 4.340 -0.000 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 42.071 42.059 0.033 0.000 0.967 64 L HN 0.355 nan 8.230 nan 0.000 0.460 65 N N 0.842 119.560 118.700 0.029 0.000 2.476 65 N HA 0.367 5.107 4.740 -0.000 0.000 0.257 65 N C -1.002 174.521 175.510 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 2.222 123.457 121.223 0.020 0.000 2.272 66 L HA 0.397 4.737 4.340 -0.000 0.000 0.284 66 L C 0.362 177.240 176.870 0.014 0.000 1.045 66 L CA -0.321 54.527 54.840 0.014 0.000 0.842 66 L CB 0.473 42.539 42.059 0.011 0.000 1.224 66 L HN 0.359 nan 8.230 nan 0.000 0.430 67 E N 3.539 123.748 120.200 0.015 0.000 2.232 67 E HA 0.306 4.656 4.350 -0.000 0.000 0.264 67 E C -1.672 174.938 176.600 0.017 0.000 0.973 67 E CA -1.805 54.605 56.400 0.016 0.000 0.849 67 E CB 1.616 31.327 29.700 0.019 0.000 1.198 67 E HN 0.268 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 1.379 64.490 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 -2.259 118.164 120.400 0.038 0.000 2.433 69 D HA 0.058 4.698 4.640 -0.000 0.000 0.211 69 D C 0.137 176.490 176.300 0.088 0.000 1.114 69 D CA -0.092 53.948 54.000 0.067 0.000 0.837 69 D CB -0.495 40.342 40.800 0.061 0.000 0.984 69 D HN 0.347 nan 8.370 nan 0.000 0.505 70 N N -1.348 117.386 118.700 0.056 0.000 3.046 70 N HA 0.397 5.137 4.740 -0.000 0.000 0.243 70 N C -1.966 173.564 175.510 0.034 0.000 1.452 70 N CA -0.955 52.130 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 -0.005 119.930 119.914 0.034 0.000 2.448 71 V HA 0.754 4.874 4.120 -0.000 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 1.308 33.136 31.823 0.009 0.000 0.988 71 V HN 0.889 nan 8.190 nan 0.000 0.431 72 G N 3.719 112.543 108.800 0.040 0.000 2.356 72 G HA2 0.512 4.472 3.960 -0.000 0.000 0.300 72 G HA3 0.512 4.472 3.960 -0.000 0.000 0.300 72 G C -0.667 174.270 174.900 0.061 0.000 1.107 72 G CA -0.168 44.959 45.100 0.046 0.000 0.960 72 G HN 0.538 nan 8.290 nan 0.000 0.418 73 V N 3.946 123.920 119.914 0.100 0.000 2.417 73 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 73 V C 0.472 176.653 176.094 0.146 0.000 1.024 73 V CA -0.842 61.548 62.300 0.150 0.000 0.861 73 V CB 1.546 33.511 31.823 0.235 0.000 0.985 73 V HN 0.748 nan 8.190 nan 0.000 0.436 74 V N 3.873 123.851 119.914 0.107 0.000 2.498 74 V HA 0.640 4.760 4.120 -0.000 0.000 0.279 74 V C -0.093 176.032 176.094 0.052 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 5.421 125.318 119.914 -0.029 0.000 2.407 75 V HA 0.371 4.491 4.120 -0.000 0.000 0.278 75 V C -0.063 175.992 176.094 -0.064 0.000 1.037 75 V CA -0.164 62.154 62.300 0.029 0.000 0.900 75 V CB 0.967 32.732 31.823 -0.096 0.000 0.983 75 V HN 0.806 nan 8.190 nan 0.000 0.459 76 F N 4.655 124.654 119.950 0.082 0.000 2.640 76 F HA 0.624 5.151 4.527 -0.000 0.000 0.354 76 F C 1.100 176.927 175.800 0.046 0.000 1.213 76 F CA 0.651 58.697 58.000 0.075 0.000 1.314 76 F CB 0.181 39.238 39.000 0.095 0.000 1.679 76 F HN 0.788 nan 8.300 nan 0.000 0.622 77 G N 1.142 109.997 108.800 0.092 0.000 2.332 77 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.265 77 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.265 77 G C -1.539 173.358 174.900 -0.005 0.000 1.329 77 G CA -1.281 43.852 45.100 0.056 0.000 0.949 77 G HN 0.245 nan 8.290 nan 0.000 0.476 78 N N 0.630 119.323 118.700 -0.011 0.000 2.408 78 N HA 0.392 5.132 4.740 -0.000 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 0.828 39.306 38.487 -0.016 0.000 1.093 78 N HN 0.543 nan 8.380 nan 0.000 0.490 79 D N 3.062 123.412 120.400 -0.083 0.000 2.378 79 D HA -0.234 4.406 4.640 -0.000 0.000 0.222 79 D C 1.366 177.608 176.300 -0.097 0.000 0.980 79 D CA 0.880 54.807 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 2.281 80 K HA -0.113 4.207 4.320 -0.000 0.000 0.203 80 K C 1.536 178.107 176.600 -0.048 0.000 1.046 80 K CA 0.825 57.085 56.287 -0.046 0.000 0.938 80 K CB -0.388 32.095 32.500 -0.029 0.000 0.737 80 K HN 0.240 nan 8.250 nan 0.000 0.458 81 L N 1.102 122.287 121.223 -0.063 0.000 2.599 81 L HA 0.252 4.592 4.340 -0.000 0.000 0.230 81 L C 0.434 177.252 176.870 -0.086 0.000 1.141 81 L CA -0.014 54.793 54.840 -0.055 0.000 0.877 81 L CB 0.003 42.037 42.059 -0.042 0.000 1.009 81 L HN 0.165 nan 8.230 nan 0.000 0.447 82 I N -0.411 120.082 120.570 -0.129 0.000 2.509 82 I HA 0.305 4.475 4.170 -0.000 0.000 0.293 82 I C -0.385 175.690 176.117 -0.071 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 3.979 124.370 120.400 -0.016 0.000 2.385 83 K HA 0.341 4.661 4.320 -0.000 0.000 0.248 83 K C -0.739 175.879 176.600 0.030 0.000 0.955 83 K CA -0.951 55.337 56.287 0.003 0.000 0.816 83 K CB 2.311 34.817 32.500 0.010 0.000 1.250 83 K HN 0.526 nan 8.250 nan 0.000 0.434 84 E N 0.505 120.720 120.200 0.025 0.000 2.529 84 E HA -0.086 4.264 4.350 -0.000 0.000 0.259 84 E C 0.504 177.130 176.600 0.043 0.000 0.966 84 E CA 1.500 57.922 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 4.128 112.963 108.800 0.057 0.000 2.234 85 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.235 85 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.235 85 G C -0.138 174.804 174.900 0.070 0.000 0.997 85 G CA 0.120 45.253 45.100 0.056 0.000 0.623 85 G HN 0.658 nan 8.290 nan 0.000 0.514 86 D N 0.537 120.991 120.400 0.089 0.000 2.488 86 D HA 0.353 4.993 4.640 -0.000 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 0.906 41.799 40.800 0.155 0.000 1.183 86 D HN 0.449 nan 8.370 nan 0.000 0.458 87 I N 1.679 122.303 120.570 0.090 0.000 2.836 87 I HA 0.050 4.220 4.170 -0.000 0.000 0.285 87 I C -0.557 175.578 176.117 0.030 0.000 1.174 87 I CA -0.047 61.285 61.300 0.053 0.000 1.405 87 I CB 0.578 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 6.811 126.691 119.914 -0.057 0.000 2.638 88 V HA 0.459 4.579 4.120 -0.000 0.000 0.306 88 V C -0.634 175.363 176.094 -0.161 0.000 1.052 88 V CA -0.884 61.285 62.300 -0.217 0.000 0.885 88 V CB 1.808 33.428 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 -0.000 0.000 0.251 89 K C -0.637 175.896 176.600 -0.111 0.000 0.934 89 K CA -0.950 55.273 56.287 -0.107 0.000 0.802 89 K CB 2.813 35.273 32.500 -0.067 0.000 1.171 89 K HN 0.528 nan 8.250 nan 0.000 0.426 90 R N 0.580 121.030 120.500 -0.083 0.000 2.590 90 R HA 0.051 4.391 4.340 -0.000 0.000 0.274 90 R C 0.567 176.833 176.300 -0.057 0.000 1.061 90 R CA 0.297 56.355 56.100 -0.070 0.000 1.081 90 R CB 0.536 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 0.163 114.685 114.554 -0.053 0.000 3.039 91 T HA 0.129 4.479 4.350 -0.000 0.000 0.250 91 T C 1.232 175.911 174.700 -0.035 0.000 1.052 91 T CA 0.742 62.816 62.100 -0.043 0.000 1.125 91 T CB 0.429 69.269 68.868 -0.047 0.000 0.908 91 T HN 0.919 nan 8.240 nan 0.000 0.473 92 G N 1.076 109.856 108.800 -0.033 0.000 2.259 92 G HA2 0.096 4.056 3.960 -0.000 0.000 0.217 92 G HA3 0.096 4.056 3.960 -0.000 0.000 0.217 92 G C 0.152 175.039 174.900 -0.023 0.000 1.001 92 G CA -0.101 44.983 45.100 -0.026 0.000 0.627 92 G HN 0.947 nan 8.290 nan 0.000 0.501 93 A N -0.317 122.488 122.820 -0.026 0.000 2.567 93 A HA 0.835 5.154 4.320 -0.000 0.000 0.289 93 A C -0.243 177.326 177.584 -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 0.369 120.926 120.570 -0.022 0.000 3.110 94 I HA 0.355 4.525 4.170 -0.000 0.000 0.314 94 I C 0.584 176.677 176.117 -0.040 0.000 1.020 94 I CA -0.433 60.853 61.300 -0.023 0.000 1.169 94 I CB 0.503 38.494 38.000 -0.016 0.000 1.437 94 I HN 0.361 nan 8.210 nan 0.000 0.595 95 V N 2.170 122.054 119.914 -0.050 0.000 2.843 95 V HA 0.160 4.280 4.120 -0.000 0.000 0.305 95 V C -0.285 175.779 176.094 -0.051 0.000 1.065 95 V CA -0.101 62.154 62.300 -0.075 0.000 1.116 95 V CB 0.303 32.070 31.823 -0.093 0.000 0.968 95 V HN 0.985 nan 8.190 nan 0.000 0.487 96 D N 1.381 121.749 120.400 -0.053 0.000 2.596 96 D HA 0.716 5.356 4.640 -0.000 0.000 0.262 96 D C -0.888 175.392 176.300 -0.033 0.000 1.210 96 D CA -0.672 53.308 54.000 -0.033 0.000 0.873 96 D CB 2.082 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 -4.622 115.279 119.914 -0.022 0.000 3.049 97 V HA 0.777 4.897 4.120 -0.000 0.000 0.309 97 V C -2.842 173.232 176.094 -0.034 0.000 1.148 97 V CA -2.360 59.928 62.300 -0.021 0.000 0.990 97 V CB 1.822 33.644 31.823 -0.002 0.000 1.039 97 V HN 0.629 nan 8.190 nan 0.000 0.430 98 P HA 0.272 nan 4.420 nan 0.000 0.268 98 P C -0.803 176.438 177.300 -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 2.579 122.389 119.914 -0.173 0.000 2.733 99 V HA 0.785 4.905 4.120 -0.000 0.000 0.306 99 V C 0.297 176.019 176.094 -0.620 0.000 1.084 99 V CA 0.449 62.570 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 3.861 112.096 108.800 -0.942 0.000 2.359 100 G HA2 0.039 3.998 3.960 -0.000 0.000 0.303 100 G HA3 0.039 3.998 3.960 -0.000 0.000 0.303 100 G C -0.041 174.482 174.900 -0.629 0.000 1.293 100 G CA -0.130 44.174 45.100 -1.326 0.000 0.964 100 G HN 0.553 nan 8.290 nan 0.000 0.531 101 E N -0.169 119.796 120.200 -0.393 0.000 2.478 101 E HA -0.014 4.336 4.350 -0.000 0.000 0.198 101 E C 1.748 178.337 176.600 -0.018 0.000 1.046 101 E CA 1.028 57.383 56.400 -0.074 0.000 0.870 101 E CB 0.182 29.884 29.700 0.004 0.000 0.818 101 E HN 0.526 nan 8.360 nan 0.000 0.527 102 E N 0.403 120.555 120.200 -0.080 0.000 2.347 102 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 102 E C 1.617 178.210 176.600 -0.013 0.000 1.008 102 E CA 0.425 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 0.168 121.382 121.223 -0.014 0.000 2.395 103 L HA 0.045 4.385 4.340 -0.000 0.000 0.218 103 L C 0.368 177.278 176.870 0.068 0.000 1.130 103 L CA -0.019 54.833 54.840 0.021 0.000 0.826 103 L CB -0.094 41.975 42.059 0.018 0.000 0.941 103 L HN 0.081 nan 8.230 nan 0.000 0.451 104 L N 0.436 121.722 121.223 0.105 0.000 2.499 104 L HA 0.124 4.464 4.340 -0.000 0.000 0.273 104 L C 1.374 178.291 176.870 0.079 0.000 1.195 104 L CA 0.686 55.608 54.840 0.136 0.000 0.882 104 L CB 0.022 42.209 42.059 0.214 0.000 1.133 104 L HN 0.337 nan 8.230 nan 0.000 0.483 105 G N 1.840 110.668 108.800 0.048 0.000 2.176 105 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.253 105 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.253 105 G C 0.171 175.076 174.900 0.008 0.000 0.979 105 G CA -0.449 44.656 45.100 0.008 0.000 0.641 105 G HN 0.461 nan 8.290 nan 0.000 0.530 106 R N -0.272 120.242 120.500 0.024 0.000 2.711 106 R HA 0.674 5.014 4.340 -0.000 0.000 0.284 106 R C -0.280 176.038 176.300 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 0.024 0.000 1.162 106 R HN 0.207 nan 8.270 nan 0.000 0.465 107 V N 3.196 123.125 119.914 0.026 0.000 2.370 107 V HA 0.394 4.514 4.120 -0.000 0.000 0.279 107 V C 0.421 176.538 176.094 0.039 0.000 1.029 107 V CA -0.721 61.602 62.300 0.038 0.000 0.870 107 V CB 1.271 33.114 31.823 0.032 0.000 0.984 107 V HN 0.590 nan 8.190 nan 0.000 0.451 108 V N 1.430 121.373 119.914 0.048 0.000 3.113 108 V HA 0.821 4.941 4.120 -0.000 0.000 0.316 108 V C -0.288 175.837 176.094 0.053 0.000 1.125 108 V CA -0.857 61.469 62.300 0.044 0.000 1.026 108 V CB 2.106 33.952 31.823 0.038 0.000 1.080 108 V HN 0.765 nan 8.190 nan 0.000 0.444 109 D N 1.643 122.074 120.400 0.051 0.000 2.469 109 D HA 0.470 5.109 4.640 -0.000 0.000 0.278 109 D C 1.165 177.505 176.300 0.068 0.000 1.231 109 D CA 0.038 54.075 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 -1.078 121.794 122.820 0.086 0.000 2.172 110 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 110 A C 1.886 179.518 177.584 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 -1.900 119.357 121.223 0.058 0.000 2.959 111 L HA 0.340 4.679 4.340 -0.000 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 -0.026 108.789 108.800 0.025 0.000 2.148 112 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 112 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 112 G C 0.072 174.980 174.900 0.013 0.000 0.981 112 G CA -0.232 44.878 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 5.226 4.740 -0.000 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 1.282 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 2.571 125.400 122.820 0.016 0.000 2.515 114 A HA 0.142 4.462 4.320 -0.000 0.000 0.263 114 A C 1.355 178.951 177.584 0.020 0.000 1.096 114 A CA -0.136 51.911 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 4.409 4.170 -0.000 0.000 0.336 115 I C 0.324 176.453 176.117 0.021 0.000 1.390 115 I CA 0.016 61.331 61.300 0.026 0.000 1.099 115 I CB 0.370 38.390 38.000 0.034 0.000 1.049 115 I HN 0.456 nan 8.210 nan 0.000 0.394 116 D N 0.937 121.348 120.400 0.017 0.000 2.349 116 D HA 0.168 4.808 4.640 -0.000 0.000 0.214 116 D C 1.638 177.943 176.300 0.008 0.000 1.063 116 D CA 0.446 54.453 54.000 0.012 0.000 0.847 116 D CB 0.180 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 0.894 109.699 108.800 0.009 0.000 2.155 117 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.257 117 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.257 117 G C 0.928 175.831 174.900 0.005 0.000 0.983 117 G CA 0.519 45.623 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 -0.000 0.000 0.194 118 K C 1.250 177.852 176.600 0.003 0.000 1.027 118 K CA 0.564 56.853 56.287 0.003 0.000 1.075 118 K CB 0.556 33.058 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 3.853 3.960 -0.000 0.000 0.685 119 G HA3 -0.107 3.853 3.960 -0.000 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 4.403 4.170 -0.000 0.000 0.291 121 I C 1.139 177.242 176.117 -0.023 0.000 1.046 121 I CA 0.206 61.498 61.300 -0.014 0.000 1.324 121 I CB 0.310 38.301 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 4.353 3.960 -0.000 0.000 0.344 122 G HA3 0.393 4.353 3.960 -0.000 0.000 0.344 122 G C 0.134 175.005 174.900 -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 0.815 116.476 115.700 -0.066 0.000 2.616 123 S HA 0.440 4.910 4.470 -0.000 0.000 0.277 123 S C 0.798 175.349 174.600 -0.082 0.000 1.234 123 S CA -0.755 57.386 58.200 -0.098 0.000 1.028 123 S CB 2.462 65.575 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 4.731 4.320 -0.000 0.000 0.193 124 K C 0.367 176.932 176.600 -0.059 0.000 1.028 124 K CA 0.554 56.806 56.287 -0.058 0.000 1.047 124 K CB 0.311 32.786 32.500 -0.041 0.000 0.821 124 K HN 0.753 nan 8.250 nan 0.000 0.513 125 A N 0.495 123.259 122.820 -0.094 0.000 2.401 125 A HA 0.719 5.039 4.320 -0.000 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 0.508 120.977 120.500 -0.052 0.000 2.888 126 R HA 0.726 5.066 4.340 -0.000 0.000 0.266 126 R C -0.852 175.435 176.300 -0.022 0.000 1.020 126 R CA -0.779 55.294 56.100 -0.045 0.000 0.963 126 R CB 2.365 32.644 30.300 -0.035 0.000 1.197 126 R HN 0.834 nan 8.270 nan 0.000 0.481 127 R N 0.692 121.183 120.500 -0.015 0.000 2.566 127 R HA 0.234 4.574 4.340 -0.000 0.000 0.271 127 R C -0.759 175.543 176.300 0.003 0.000 1.071 127 R CA -0.731 55.372 56.100 0.005 0.000 0.915 127 R CB 2.516 32.831 30.300 0.026 0.000 1.228 127 R HN 0.594 nan 8.270 nan 0.000 0.449 128 R N 2.217 122.720 120.500 0.005 0.000 2.679 128 R HA 0.024 4.364 4.340 -0.000 0.000 0.268 128 R C 0.920 177.225 176.300 0.008 0.000 1.044 128 R CA 0.485 56.584 56.100 -0.001 0.000 1.105 128 R CB 0.882 31.181 30.300 -0.003 0.000 0.989 128 R HN 0.539 nan 8.270 nan 0.000 0.447 129 V N 1.671 121.583 119.914 -0.003 0.000 2.878 129 V HA 0.237 4.357 4.120 -0.000 0.000 0.250 129 V C 1.078 177.163 176.094 -0.016 0.000 1.075 129 V CA 1.392 63.700 62.300 0.013 0.000 1.096 129 V CB 0.160 31.993 31.823 0.017 0.000 0.724 129 V HN 0.798 nan 8.190 nan 0.000 0.467 130 G N 0.827 109.589 108.800 -0.062 0.000 3.702 130 G HA2 0.432 4.392 3.960 -0.000 0.000 0.288 130 G HA3 0.432 4.392 3.960 -0.000 0.000 0.288 130 G C 0.170 175.037 174.900 -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 4.610 4.340 -0.000 0.000 0.271 131 L C 0.859 177.737 176.870 0.014 0.000 1.169 131 L CA -0.414 54.431 54.840 0.008 0.000 0.836 131 L CB 1.052 43.124 42.059 0.023 0.000 1.112 131 L HN 0.035 nan 8.230 nan 0.000 0.465 132 K N 2.078 122.489 120.400 0.018 0.000 2.295 132 K HA 0.410 4.730 4.320 -0.000 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 4.775 127.607 122.820 0.020 0.000 2.520 133 A HA 0.196 4.516 4.320 -0.000 0.000 0.235 133 A C -2.132 175.447 177.584 -0.007 0.000 1.065 133 A CA -0.970 51.072 52.037 0.009 0.000 0.764 133 A CB -0.555 18.450 19.000 0.008 0.000 1.002 133 A HN 0.591 nan 8.150 nan 0.000 0.502 134 P HA 0.242 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 0.531 63.582 63.100 -0.080 0.000 0.768 134 P CB 0.570 32.185 31.700 -0.142 0.000 0.838 135 G N 1.260 110.013 108.800 -0.079 0.000 2.485 135 G HA2 0.121 4.081 3.960 -0.000 0.000 0.260 135 G HA3 0.121 4.081 3.960 -0.000 0.000 0.260 135 G C 1.076 175.933 174.900 -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 -0.041 120.501 120.570 -0.047 0.000 2.179 136 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 136 I C 2.563 178.640 176.117 -0.066 0.000 1.088 136 I CA 0.714 61.988 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 0.895 121.424 120.570 -0.068 0.000 2.202 137 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 137 I C -0.271 175.759 176.117 -0.146 0.000 1.091 137 I CA 1.665 62.930 61.300 -0.058 0.000 1.368 137 I CB -2.713 35.289 38.000 0.002 0.000 1.058 137 I HN 0.149 nan 8.210 nan 0.000 0.410 138 P HA -0.063 nan 4.420 nan 0.000 0.236 138 P C 0.329 177.359 177.300 -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 30.905 31.700 -1.362 0.000 0.843 139 R N -0.538 119.828 120.500 -0.223 0.000 2.674 139 R HA 0.661 5.001 4.340 -0.000 0.000 0.266 139 R C -0.466 175.802 176.300 -0.054 0.000 1.016 139 R CA -0.859 55.169 56.100 -0.120 0.000 1.062 139 R CB 1.030 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 -0.669 119.885 120.570 -0.027 0.000 2.913 140 I HA 0.167 4.337 4.170 -0.000 0.000 0.302 140 I C -0.666 175.448 176.117 -0.005 0.000 1.246 140 I CA -0.181 61.116 61.300 -0.006 0.000 1.010 140 I CB 2.532 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 3.237 118.936 115.700 -0.003 0.000 2.558 141 S HA 0.178 4.648 4.470 -0.000 0.000 0.293 141 S C -0.292 174.305 174.600 -0.005 0.000 1.292 141 S CA -0.508 57.689 58.200 -0.004 0.000 1.063 141 S CB 0.244 63.442 63.200 -0.003 0.000 0.831 141 S HN 0.393 nan 8.310 nan 0.000 0.499 142 V N 5.183 125.093 119.914 -0.007 0.000 2.493 142 V HA 0.076 4.195 4.120 -0.000 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 -0.262 31.553 31.823 -0.013 0.000 0.947 142 V HN 1.002 nan 8.190 nan 0.000 0.479 143 R N 2.217 122.700 120.500 -0.028 0.000 2.580 143 R HA 0.305 4.645 4.340 -0.000 0.000 0.285 143 R C -0.078 176.190 176.300 -0.053 0.000 0.947 143 R CA -0.472 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 4.691 4.350 -0.000 0.000 0.278 144 E C -2.594 173.926 176.600 -0.133 0.000 0.969 144 E CA -2.486 53.840 56.400 -0.124 0.000 0.796 144 E CB 1.672 31.257 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 63.021 63.100 -0.127 0.000 0.768 145 P CB 0.410 32.044 31.700 -0.110 0.000 0.848 146 M N 4.150 123.673 119.600 -0.127 0.000 2.289 146 M HA 0.136 4.616 4.480 -0.000 0.000 0.354 146 M C -0.533 175.726 176.300 -0.068 0.000 1.210 146 M CA -0.427 54.798 55.300 -0.125 0.000 1.174 146 M CB 0.069 32.615 32.600 -0.089 0.000 1.297 146 M HN 0.314 nan 8.290 nan 0.000 0.423 147 Q N 2.454 122.219 119.800 -0.059 0.000 2.297 147 Q HA 0.147 4.487 4.340 -0.000 0.000 0.267 147 Q C 1.253 177.291 176.000 0.065 0.000 1.006 147 Q CA 0.207 56.030 55.803 0.033 0.000 0.896 147 Q CB 0.673 29.487 28.738 0.127 0.000 1.186 147 Q HN 0.734 nan 8.270 nan 0.000 0.392 148 T N -1.584 112.995 114.554 0.043 0.000 3.035 148 T HA 0.137 4.487 4.350 -0.000 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 0.115 68.997 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 3.749 3.960 -0.000 0.000 0.260 149 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 149 G C 0.027 174.934 174.900 0.011 0.000 0.976 149 G CA 0.182 45.298 45.100 0.026 0.000 0.655 149 G HN 0.669 nan 8.290 nan 0.000 0.533 150 I N 0.768 121.344 120.570 0.010 0.000 2.307 150 I HA 0.252 4.421 4.170 -0.000 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 -0.254 4.066 4.320 -0.000 0.000 0.214 151 K C 2.103 178.707 176.600 0.006 0.000 1.051 151 K CA 2.038 58.329 56.287 0.007 0.000 0.931 151 K CB -0.156 32.348 32.500 0.006 0.000 0.715 151 K HN 0.809 nan 8.250 nan 0.000 0.446 152 A N 0.803 123.623 122.820 0.001 0.000 1.902 152 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 152 A C 2.377 179.967 177.584 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 0.457 120.376 119.914 0.009 0.000 2.255 153 V HA -0.193 3.927 4.120 -0.000 0.000 0.243 153 V C 2.134 178.235 176.094 0.011 0.000 1.038 153 V CA 2.177 64.484 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 4.519 4.640 -0.000 0.000 0.201 154 D C 2.394 178.700 176.300 0.010 0.000 0.980 154 D CA 1.773 55.779 54.000 0.011 0.000 0.842 154 D CB -0.166 40.643 40.800 0.016 0.000 0.948 154 D HN 0.608 nan 8.370 nan 0.000 0.472 155 S N -0.715 114.992 115.700 0.011 0.000 2.404 155 S HA 0.065 4.535 4.470 -0.000 0.000 0.223 155 S C 2.019 176.624 174.600 0.010 0.000 1.040 155 S CA 0.166 58.372 58.200 0.011 0.000 0.957 155 S CB -0.216 62.990 63.200 0.011 0.000 0.826 155 S HN 0.186 nan 8.310 nan 0.000 0.491 156 L N 1.264 122.494 121.223 0.011 0.000 2.316 156 L HA 0.334 4.674 4.340 -0.000 0.000 0.207 156 L C 0.518 177.398 176.870 0.017 0.000 1.070 156 L CA 0.305 55.154 54.840 0.014 0.000 0.820 156 L CB 0.443 42.513 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 4.544 4.120 -0.000 0.000 0.253 157 V C -2.726 173.375 176.094 0.012 0.000 0.963 157 V CA -1.810 60.501 62.300 0.018 0.000 1.003 157 V CB 0.031 31.870 31.823 0.026 0.000 1.251 157 V HN -0.082 nan 8.190 nan 0.000 0.520 158 P HA 0.402 nan 4.420 nan 0.000 0.271 158 P C -0.312 176.985 177.300 -0.004 0.000 1.216 158 P CA 0.204 63.304 63.100 0.000 0.000 0.776 158 P CB 1.590 33.288 31.700 -0.003 0.000 0.881 159 I N 1.637 122.201 120.570 -0.010 0.000 2.377 159 I HA 0.480 4.650 4.170 -0.000 0.000 0.293 159 I C 1.097 177.195 176.117 -0.033 0.000 0.987 159 I CA -0.483 60.808 61.300 -0.016 0.000 1.185 159 I CB 1.855 39.847 38.000 -0.013 0.000 1.341 159 I HN 0.337 nan 8.210 nan 0.000 0.455 160 G N 4.791 113.570 108.800 -0.035 0.000 2.509 160 G HA2 0.541 4.501 3.960 -0.000 0.000 0.328 160 G HA3 0.541 4.501 3.960 -0.000 0.000 0.328 160 G C -0.519 174.348 174.900 -0.056 0.000 1.194 160 G CA -0.888 44.181 45.100 -0.052 0.000 0.967 160 G HN 0.531 nan 8.290 nan 0.000 0.488 161 R N -0.192 120.261 120.500 -0.080 0.000 2.316 161 R HA 0.425 4.765 4.340 -0.000 0.000 0.314 161 R C 1.027 177.319 176.300 -0.014 0.000 1.069 161 R CA 0.887 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 1.074 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 3.679 3.960 -0.000 0.000 0.224 162 G HA3 -0.281 3.679 3.960 -0.000 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 0.102 119.900 119.800 -0.002 0.000 2.312 163 Q HA 0.668 5.008 4.340 -0.000 0.000 0.236 163 Q C -0.100 175.902 176.000 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 1.970 122.473 120.500 0.006 0.000 2.343 164 R HA 0.329 4.669 4.340 -0.000 0.000 0.320 164 R C -1.392 174.912 176.300 0.007 0.000 0.956 164 R CA -0.518 55.588 56.100 0.009 0.000 0.836 164 R CB 1.616 31.925 30.300 0.014 0.000 1.151 164 R HN 0.476 nan 8.270 nan 0.000 0.450 165 E N 2.796 123.000 120.200 0.006 0.000 2.255 165 E HA 0.268 4.618 4.350 -0.000 0.000 0.256 165 E C -1.432 175.175 176.600 0.011 0.000 0.887 165 E CA -0.876 55.530 56.400 0.009 0.000 0.782 165 E CB 0.915 30.620 29.700 0.008 0.000 1.214 165 E HN 0.392 nan 8.360 nan 0.000 0.417 166 L N 5.238 126.468 121.223 0.012 0.000 2.426 166 L HA 0.425 4.765 4.340 -0.000 0.000 0.271 166 L C -0.932 175.956 176.870 0.031 0.000 1.169 166 L CA 0.352 55.199 54.840 0.012 0.000 0.836 166 L CB 0.460 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 6.739 127.328 120.570 0.032 0.000 2.362 167 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 167 I C -0.393 175.762 176.117 0.063 0.000 0.994 167 I CA -0.202 61.128 61.300 0.050 0.000 1.158 167 I CB 1.384 39.408 38.000 0.040 0.000 1.315 167 I HN 0.566 nan 8.210 nan 0.000 0.451 168 I N 5.203 125.841 120.570 0.114 0.000 2.686 168 I HA 0.900 5.070 4.170 -0.000 0.000 0.295 168 I C -0.393 175.872 176.117 0.246 0.000 1.114 168 I CA 0.011 61.406 61.300 0.158 0.000 1.038 168 I CB 2.078 40.166 38.000 0.147 0.000 1.238 168 I HN 0.704 nan 8.210 nan 0.000 0.420 169 G N 4.801 113.719 108.800 0.197 0.000 2.316 169 G HA2 0.161 4.121 3.960 -0.000 0.000 0.296 169 G HA3 0.161 4.121 3.960 -0.000 0.000 0.296 169 G C -1.965 172.990 174.900 0.092 0.000 1.399 169 G CA -0.822 44.372 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 -0.000 0.000 0.240 170 D C 1.291 177.584 176.300 -0.011 0.000 1.236 170 D CA -0.039 53.980 54.000 0.032 0.000 0.927 170 D CB 0.426 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 -0.058 4.282 4.340 -0.000 0.000 0.268 171 R C -0.094 176.155 176.300 -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 0.088 119.822 119.800 -0.109 0.000 2.453 172 Q HA -0.170 4.170 4.340 -0.000 0.000 0.294 172 Q C 0.360 176.099 176.000 -0.436 0.000 1.295 172 Q CA 1.752 57.428 55.803 -0.212 0.000 0.853 172 Q CB -1.648 26.986 28.738 -0.174 0.000 1.193 172 Q HN 1.013 nan 8.270 nan 0.000 0.461 173 T N -5.380 108.980 114.554 -0.324 0.000 3.040 173 T HA 0.427 4.777 4.350 -0.000 0.000 0.250 173 T C 1.174 175.759 174.700 -0.192 0.000 1.058 173 T CA 0.832 62.709 62.100 -0.372 0.000 0.988 173 T CB 1.031 69.776 68.868 -0.204 0.000 0.993 173 T HN 0.816 nan 8.240 nan 0.000 0.519 174 G N 1.501 110.230 108.800 -0.119 0.000 2.145 174 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.145 174 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.145 174 G C 0.653 175.558 174.900 0.010 0.000 1.017 174 G CA 0.117 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 -0.229 120.172 120.400 0.002 0.000 1.984 175 K HA -0.043 4.277 4.320 -0.000 0.000 0.209 175 K C 2.565 179.195 176.600 0.050 0.000 1.046 175 K CA 1.852 58.155 56.287 0.025 0.000 0.934 175 K CB -0.374 32.143 32.500 0.028 0.000 0.717 175 K HN 0.262 nan 8.250 nan 0.000 0.438 176 T N 1.234 115.828 114.554 0.066 0.000 2.720 176 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 176 T C 2.093 176.840 174.700 0.077 0.000 1.037 176 T CA 1.639 63.804 62.100 0.108 0.000 1.144 176 T CB -0.249 68.691 68.868 0.120 0.000 0.864 176 T HN 0.150 nan 8.240 nan 0.000 0.444 177 S N 0.927 116.654 115.700 0.045 0.000 2.400 177 S HA -0.048 4.422 4.470 -0.000 0.000 0.232 177 S C 2.003 176.604 174.600 0.001 0.000 1.025 177 S CA 0.663 58.870 58.200 0.011 0.000 0.993 177 S CB -0.353 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 1.807 122.387 120.570 0.017 0.000 2.179 178 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 178 I C 2.732 178.870 176.117 0.037 0.000 1.088 178 I CA 1.392 62.703 61.300 0.018 0.000 1.357 178 I CB -1.700 36.314 38.000 0.023 0.000 1.051 178 I HN 0.253 nan 8.210 nan 0.000 0.409 179 A N 1.113 123.970 122.820 0.062 0.000 1.902 179 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 179 A C 2.217 179.849 177.584 0.080 0.000 1.181 179 A CA 1.227 53.315 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 3.989 4.170 -0.000 0.000 0.242 180 I C 1.856 178.017 176.117 0.073 0.000 1.091 180 I CA 1.590 62.918 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 0.434 120.870 120.400 0.059 0.000 2.149 181 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 181 D C 2.188 178.522 176.300 0.056 0.000 0.990 181 D CA 1.469 55.499 54.000 0.049 0.000 0.839 181 D CB -0.062 40.736 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 4.284 4.350 -0.000 0.000 0.265 182 T C 2.160 176.913 174.700 0.088 0.000 1.038 182 T CA 0.617 62.754 62.100 0.062 0.000 1.144 182 T CB -0.185 68.712 68.868 0.050 0.000 0.866 182 T HN 0.163 nan 8.240 nan 0.000 0.434 183 I N 0.801 121.433 120.570 0.103 0.000 2.127 183 I HA -0.153 4.017 4.170 -0.000 0.000 0.241 183 I C 2.275 178.527 176.117 0.225 0.000 1.075 183 I CA 1.451 62.848 61.300 0.163 0.000 1.334 183 I CB -0.488 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 3.855 4.170 -0.000 0.000 0.251 184 I C 2.213 178.399 176.117 0.115 0.000 1.129 184 I CA 1.392 62.776 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 0.663 119.411 118.700 0.081 0.000 2.289 185 N HA -0.196 4.544 4.740 -0.000 0.000 0.184 185 N C 1.759 177.251 175.510 -0.030 0.000 1.016 185 N CA 1.105 54.170 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 0.128 119.940 119.800 0.021 0.000 2.435 186 Q HA -0.038 4.302 4.340 -0.000 0.000 0.207 186 Q C 1.588 177.399 176.000 -0.315 0.000 0.956 186 Q CA 0.426 56.199 55.803 -0.049 0.000 0.917 186 Q CB -0.114 28.507 28.738 -0.195 0.000 0.997 186 Q HN 0.497 nan 8.270 nan 0.000 0.497 187 K N 1.334 121.613 120.400 -0.201 0.000 2.103 187 K HA -0.168 4.152 4.320 -0.000 0.000 0.207 187 K C 2.047 178.510 176.600 -0.228 0.000 1.048 187 K CA 1.023 57.241 56.287 -0.114 0.000 0.930 187 K CB 0.041 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 -0.500 119.762 120.500 -0.397 0.000 2.117 188 R HA -0.162 4.178 4.340 -0.000 0.000 0.243 188 R C 1.937 177.940 176.300 -0.495 0.000 1.143 188 R CA 2.032 57.817 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 4.611 4.527 -0.000 0.000 0.293 189 F C 1.988 177.673 175.800 -0.191 0.000 1.085 189 F CA -0.008 57.895 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 0.298 118.922 118.700 -0.127 0.000 2.331 190 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 190 N C 1.031 176.490 175.510 -0.085 0.000 1.019 190 N CA 1.035 53.956 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 0.241 120.604 120.400 -0.062 0.000 2.269 191 D HA 0.003 4.643 4.640 -0.000 0.000 0.208 191 D C 1.328 177.624 176.300 -0.008 0.000 0.963 191 D CA 0.447 54.436 54.000 -0.019 0.000 0.864 191 D CB -0.219 40.564 40.800 -0.028 0.000 0.936 191 D HN 0.176 nan 8.370 nan 0.000 0.505 192 G N -0.137 108.658 108.800 -0.009 0.000 2.516 192 G HA2 0.255 4.215 3.960 -0.000 0.000 0.276 192 G HA3 0.255 4.215 3.960 -0.000 0.000 0.276 192 G C 0.860 175.774 174.900 0.023 0.000 1.390 192 G CA 0.466 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 -0.000 0.000 0.272 193 T C -0.016 174.708 174.700 0.041 0.000 0.990 193 T CA -0.017 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 1.673 122.098 120.400 0.040 0.000 2.380 194 D HA 0.293 4.933 4.640 -0.000 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 1.990 122.232 120.200 0.071 0.000 2.274 195 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 195 E C 1.274 177.953 176.600 0.131 0.000 0.996 195 E CA 0.847 57.312 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 0.416 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 4.335 4.320 -0.000 0.000 0.193 196 K C 1.627 178.278 176.600 0.084 0.000 1.030 196 K CA 0.483 56.876 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 0.855 121.253 120.400 -0.004 0.000 2.360 197 K HA 0.069 4.389 4.320 -0.000 0.000 0.196 197 K C -0.145 176.337 176.600 -0.197 0.000 1.049 197 K CA 0.052 56.245 56.287 -0.155 0.000 1.049 197 K CB 0.557 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 0.911 121.270 120.400 -0.069 0.000 2.276 198 K HA 0.117 4.437 4.320 -0.000 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 -0.163 0.000 0.927 198 K CB 0.702 33.080 32.500 -0.203 0.000 0.969 198 K HN -0.099 nan 8.250 nan 0.000 0.490 199 L N 2.959 123.963 121.223 -0.365 0.000 2.491 199 L HA 0.290 4.630 4.340 -0.000 0.000 0.267 199 L C -1.746 174.874 176.870 -0.418 0.000 0.971 199 L CA -0.358 54.318 54.840 -0.273 0.000 0.857 199 L CB 0.832 42.779 42.059 -0.187 0.000 1.226 199 L HN 0.443 nan 8.230 nan 0.000 0.408 200 Y N 3.295 123.448 120.300 -0.244 0.000 2.304 200 Y HA 0.494 5.044 4.550 -0.000 0.000 0.328 200 Y C 0.457 176.220 175.900 -0.229 0.000 1.123 200 Y CA -0.093 57.818 58.100 -0.314 0.000 1.218 200 Y CB 1.052 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 0.706 5.165 4.460 -0.000 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 0.178 28.024 27.740 0.178 0.000 2.297 201 C HN 0.650 nan 8.230 nan 0.000 0.507 202 I N 2.229 122.832 120.570 0.055 0.000 2.478 202 I HA 0.253 4.423 4.170 -0.000 0.000 0.287 202 I C -1.147 175.003 176.117 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 7.193 127.476 120.300 -0.027 0.000 2.369 203 Y HA 0.561 5.111 4.550 -0.000 0.000 0.337 203 Y C -0.694 175.197 175.900 -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 6.444 126.107 119.914 -0.418 0.000 2.333 204 V HA 0.609 4.729 4.120 -0.000 0.000 0.274 204 V C 0.107 175.945 176.094 -0.426 0.000 1.028 204 V CA -0.703 61.441 62.300 -0.261 0.000 0.851 204 V CB 0.653 32.440 31.823 -0.060 0.000 1.000 204 V HN 0.917 nan 8.190 nan 0.000 0.456 205 A N 6.752 129.444 122.820 -0.212 0.000 2.260 205 A HA 0.836 5.156 4.320 -0.000 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 2.063 122.625 120.570 -0.012 0.000 2.382 206 I HA 0.563 4.733 4.170 -0.000 0.000 0.286 206 I C 1.115 177.258 176.117 0.043 0.000 1.002 206 I CA 0.512 61.826 61.300 0.023 0.000 1.135 206 I CB 1.774 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 3.714 3.960 -0.000 0.000 0.264 207 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 207 G C 0.347 175.281 174.900 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 0.146 119.983 119.800 0.062 0.000 2.396 208 Q HA 0.453 4.793 4.340 -0.000 0.000 0.221 208 Q C 0.779 176.816 176.000 0.060 0.000 1.025 208 Q CA 0.132 55.976 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 0.042 120.476 120.400 0.056 0.000 2.144 209 K HA 0.256 4.576 4.320 -0.000 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 1.197 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 4.166 4.340 -0.000 0.000 0.239 210 R C 2.215 178.536 176.300 0.035 0.000 1.135 210 R CA 2.191 58.316 56.100 0.042 0.000 0.967 210 R CB -0.408 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 -0.310 115.408 115.700 0.029 0.000 2.399 211 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 211 S C 1.917 176.531 174.600 0.022 0.000 1.022 211 S CA 1.598 59.811 58.200 0.022 0.000 0.983 211 S CB -0.374 62.837 63.200 0.019 0.000 0.803 211 S HN 0.193 nan 8.310 nan 0.000 0.480 212 T N 2.467 117.041 114.554 0.032 0.000 2.737 212 T HA -0.000 4.350 4.350 -0.000 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 0.316 nan 8.240 nan 0.000 0.434 213 V N 1.821 121.766 119.914 0.053 0.000 2.407 213 V HA -0.150 3.970 4.120 -0.000 0.000 0.248 213 V C 2.862 178.965 176.094 0.014 0.000 1.055 213 V CA 1.587 63.922 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 -0.481 122.346 122.820 0.011 0.000 1.898 214 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 214 A C 2.197 179.767 177.584 -0.024 0.000 1.181 214 A CA 1.975 54.009 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 -0.706 119.081 119.800 -0.022 0.000 2.119 215 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 215 Q C 1.934 177.896 176.000 -0.063 0.000 0.972 215 Q CA 1.068 56.849 55.803 -0.036 0.000 0.847 215 Q CB -0.306 28.420 28.738 -0.019 0.000 0.903 215 Q HN 0.521 nan 8.270 nan 0.000 0.433 216 L N -0.305 120.875 121.223 -0.072 0.000 2.012 216 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 216 L C 2.022 178.803 176.870 -0.149 0.000 1.073 216 L CA 1.679 56.437 54.840 -0.137 0.000 0.748 216 L CB -0.963 40.977 42.059 -0.198 0.000 0.891 216 L HN 0.191 nan 8.230 nan 0.000 0.431 217 V N 0.189 120.038 119.914 -0.109 0.000 2.427 217 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 217 V C 2.604 178.643 176.094 -0.092 0.000 1.051 217 V CA 1.811 64.054 62.300 -0.094 0.000 1.048 217 V CB -0.581 31.210 31.823 -0.054 0.000 0.666 217 V HN 0.402 nan 8.190 nan 0.000 0.456 218 K N 0.884 121.235 120.400 -0.082 0.000 2.063 218 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 218 K C 2.181 178.714 176.600 -0.111 0.000 1.048 218 K CA 1.684 57.922 56.287 -0.083 0.000 0.928 218 K CB -0.337 32.121 32.500 -0.070 0.000 0.713 218 K HN 0.276 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 0.017 4.357 4.340 -0.000 0.000 0.235 219 R C 2.010 178.215 176.300 -0.158 0.000 1.131 219 R CA 1.683 57.675 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 0.327 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 4.268 4.340 -0.000 0.000 0.211 220 L C 1.907 178.690 176.870 -0.145 0.000 1.107 220 L CA 1.574 56.326 54.840 -0.146 0.000 0.783 220 L CB -0.445 41.517 42.059 -0.163 0.000 0.919 220 L HN 0.297 nan 8.230 nan 0.000 0.442 221 T N -1.448 113.032 114.554 -0.122 0.000 2.851 221 T HA -0.115 4.235 4.350 -0.000 0.000 0.262 221 T C 1.383 176.028 174.700 -0.093 0.000 1.043 221 T CA 1.005 63.043 62.100 -0.104 0.000 1.140 221 T CB -0.139 68.681 68.868 -0.081 0.000 0.872 221 T HN 0.241 nan 8.240 nan 0.000 0.446 222 D N 1.742 122.084 120.400 -0.097 0.000 2.178 222 D HA 0.033 4.673 4.640 -0.000 0.000 0.201 222 D C 1.955 178.205 176.300 -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 40.490 40.800 -0.108 0.000 0.948 222 D HN 0.427 nan 8.370 nan 0.000 0.472 223 A N 0.217 122.982 122.820 -0.091 0.000 2.251 223 A HA 0.028 4.348 4.320 -0.000 0.000 0.209 223 A C 0.412 177.963 177.584 -0.054 0.000 1.187 223 A CA 0.286 52.284 52.037 -0.065 0.000 0.823 223 A CB 0.025 18.992 19.000 -0.055 0.000 0.846 223 A HN 0.022 nan 8.150 nan 0.000 0.486 224 D N -2.565 117.791 120.400 -0.075 0.000 2.723 224 D HA -0.206 4.434 4.640 -0.000 0.000 0.236 224 D C 0.729 176.949 176.300 -0.133 0.000 1.138 224 D CA 1.024 54.978 54.000 -0.076 0.000 0.676 224 D CB -1.202 39.581 40.800 -0.029 0.000 1.069 224 D HN 0.519 nan 8.370 nan 0.000 0.430 225 A N -0.570 122.100 122.820 -0.251 0.000 2.167 225 A HA 0.147 4.467 4.320 -0.000 0.000 0.208 225 A C 2.073 179.167 177.584 -0.817 0.000 1.198 225 A CA 0.310 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 1.379 120.738 119.600 -0.401 0.000 2.202 226 M HA -0.180 4.300 4.480 -0.000 0.000 0.262 226 M C 2.075 178.228 176.300 -0.245 0.000 1.063 226 M CA 1.952 57.087 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 4.130 4.320 -0.000 0.000 0.203 227 K C 0.939 177.567 176.600 0.046 0.000 1.046 227 K CA 1.696 57.942 56.287 -0.068 0.000 0.938 227 K CB -0.695 31.803 32.500 -0.003 0.000 0.737 227 K HN 0.525 nan 8.250 nan 0.000 0.458 228 Y N -0.233 120.107 120.300 0.066 0.000 2.660 228 Y HA 0.462 5.012 4.550 -0.000 0.000 0.254 228 Y C -0.549 175.409 175.900 0.096 0.000 1.176 228 Y CA -1.082 57.082 58.100 0.107 0.000 1.195 228 Y CB 0.051 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 2.865 117.423 114.554 0.006 0.000 2.824 229 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 229 T C -0.457 174.281 174.700 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 2.706 123.339 120.570 0.104 0.000 2.331 230 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 230 I C -0.279 175.901 176.117 0.104 0.000 0.998 230 I CA -0.978 60.382 61.300 0.101 0.000 1.267 230 I CB 1.375 39.451 38.000 0.127 0.000 1.386 230 I HN 0.233 nan 8.210 nan 0.000 0.476 231 V N 7.440 127.410 119.914 0.094 0.000 2.350 231 V HA 0.280 4.400 4.120 -0.000 0.000 0.276 231 V C 0.065 176.223 176.094 0.107 0.000 1.028 231 V CA -0.607 61.772 62.300 0.132 0.000 0.860 231 V CB 1.606 33.501 31.823 0.119 0.000 0.990 231 V HN 0.413 nan 8.190 nan 0.000 0.453 232 V N 4.266 124.243 119.914 0.104 0.000 2.347 232 V HA 0.482 4.602 4.120 -0.000 0.000 0.280 232 V C 0.188 176.326 176.094 0.073 0.000 1.021 232 V CA -0.100 62.245 62.300 0.076 0.000 0.847 232 V CB 1.634 33.493 31.823 0.061 0.000 0.990 232 V HN 0.830 nan 8.190 nan 0.000 0.444 233 S N 4.098 119.844 115.700 0.077 0.000 2.707 233 S HA 0.750 5.220 4.470 -0.000 0.000 0.312 233 S C -0.217 174.427 174.600 0.073 0.000 1.116 233 S CA -0.275 57.972 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 4.417 127.278 122.820 0.069 0.000 2.316 234 A HA 0.629 4.949 4.320 -0.000 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 4.904 4.350 -0.000 0.000 0.284 235 T C 1.546 176.279 174.700 0.055 0.000 0.998 235 T CA 0.033 62.169 62.100 0.061 0.000 0.935 235 T CB 0.947 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 0.647 123.497 122.820 0.050 0.000 1.978 236 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 236 A C 2.386 179.993 177.584 0.038 0.000 1.170 236 A CA 1.855 53.919 52.037 0.044 0.000 0.636 236 A CB -1.259 17.765 19.000 0.041 0.000 0.810 236 A HN 1.069 nan 8.150 nan 0.000 0.448 237 S N -0.721 115.000 115.700 0.036 0.000 2.556 237 S HA 0.120 4.590 4.470 -0.000 0.000 0.216 237 S C -0.247 174.372 174.600 0.033 0.000 0.970 237 S CA -0.346 57.872 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 3.014 123.440 120.400 0.043 0.000 2.382 238 D HA 0.543 5.183 4.640 -0.000 0.000 0.245 238 D C 0.420 176.743 176.300 0.039 0.000 1.120 238 D CA 0.154 54.185 54.000 0.051 0.000 0.890 238 D CB 1.219 42.061 40.800 0.069 0.000 1.201 238 D HN 0.437 nan 8.370 nan 0.000 0.433 239 A N 1.612 124.448 122.820 0.028 0.000 2.507 239 A HA 0.340 4.660 4.320 -0.000 0.000 0.235 239 A C 1.483 179.059 177.584 -0.014 0.000 1.070 239 A CA 0.413 52.445 52.037 -0.008 0.000 0.768 239 A CB 0.167 19.145 19.000 -0.036 0.000 1.011 239 A HN 0.634 nan 8.150 nan 0.000 0.502 240 A N 2.705 125.506 122.820 -0.031 0.000 1.917 240 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 240 A C -0.169 177.415 177.584 -0.000 0.000 1.182 240 A CA 2.184 54.218 52.037 -0.005 0.000 0.633 240 A CB -1.698 17.288 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 1.149 241 P CA 0.820 63.763 63.100 -0.262 0.000 0.817 241 P CB -0.123 30.958 31.700 -1.031 0.000 0.785 242 L N -1.003 120.236 121.223 0.028 0.000 2.056 242 L HA -0.181 4.159 4.340 -0.000 0.000 0.207 242 L C 2.628 179.609 176.870 0.185 0.000 1.078 242 L CA 1.522 56.493 54.840 0.219 0.000 0.749 242 L CB -0.944 41.233 42.059 0.197 0.000 0.901 242 L HN -0.003 nan 8.230 nan 0.000 0.433 243 Q N -1.058 118.830 119.800 0.146 0.000 2.079 243 Q HA -0.246 4.094 4.340 -0.000 0.000 0.200 243 Q C 2.151 178.253 176.000 0.170 0.000 0.974 243 Q CA 1.802 57.686 55.803 0.135 0.000 0.840 243 Q CB -0.389 28.419 28.738 0.116 0.000 0.898 243 Q HN 0.500 nan 8.270 nan 0.000 0.430 244 Y N 1.263 121.625 120.300 0.104 0.000 2.165 244 Y HA -0.263 4.287 4.550 -0.000 0.000 0.286 244 Y C 1.916 177.949 175.900 0.221 0.000 1.155 244 Y CA 1.288 59.476 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 0.089 4.429 4.340 -0.000 0.000 0.206 245 L C 2.582 179.507 176.870 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 0.433 123.298 122.820 0.075 0.000 1.927 246 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 246 A C -0.046 177.543 177.584 0.008 0.000 1.185 246 A CA 2.243 54.313 52.037 0.055 0.000 0.639 246 A CB -2.069 16.965 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 1.278 64.234 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 -0.401 119.811 120.300 -0.147 0.000 2.224 248 Y HA -0.137 4.413 4.550 -0.000 0.000 0.289 248 Y C 2.599 178.483 175.900 -0.026 0.000 1.146 248 Y CA 1.355 59.386 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 -0.197 115.583 115.700 0.132 0.000 2.368 249 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 249 S C 2.407 177.064 174.600 0.095 0.000 1.029 249 S CA 1.102 59.359 58.200 0.096 0.000 0.988 249 S CB -0.979 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 0.270 109.133 108.800 0.104 0.000 2.418 250 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 250 G HA3 -0.269 3.691 3.960 -0.000 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 -0.001 4.459 4.460 -0.000 0.000 0.277 251 C C 3.276 178.349 174.990 0.138 0.000 1.280 251 C CA 1.669 60.790 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 0.352 116.124 115.700 0.121 0.000 2.387 252 S HA -0.085 4.385 4.470 -0.000 0.000 0.226 252 S C 1.728 176.396 174.600 0.113 0.000 1.026 252 S CA 1.728 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 0.954 120.624 119.600 0.116 0.000 2.159 253 M HA -0.063 4.417 4.480 -0.000 0.000 0.263 253 M C 2.397 178.868 176.300 0.285 0.000 1.063 253 M CA 1.539 56.922 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 -0.261 108.705 108.800 0.278 0.000 2.430 254 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 254 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 254 G C 1.300 176.392 174.900 0.319 0.000 1.146 254 G CA 0.330 45.643 45.100 0.354 0.000 0.793 254 G HN 0.473 nan 8.290 nan 0.000 0.537 255 E N -0.636 119.687 120.200 0.204 0.000 2.338 255 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 255 E C 1.819 178.483 176.600 0.107 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 0.633 nan 8.360 nan 0.000 0.506 256 Y N 0.440 120.726 120.300 -0.023 0.000 2.114 256 Y HA -0.276 4.274 4.550 -0.000 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 -0.185 0.000 1.135 256 Y CB -0.373 37.868 38.460 -0.365 0.000 0.980 256 Y HN -0.061 nan 8.280 nan 0.000 0.499 257 F N 0.230 120.135 119.950 -0.076 0.000 2.146 257 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 257 F C 2.790 178.480 175.800 -0.183 0.000 1.096 257 F CA 1.768 59.657 58.000 -0.187 0.000 1.275 257 F CB -0.675 38.320 39.000 -0.009 0.000 1.008 257 F HN -0.073 nan 8.300 nan 0.000 0.480 258 R N 0.622 121.184 120.500 0.105 0.000 2.091 258 R HA -0.179 4.161 4.340 -0.000 0.000 0.238 258 R C 1.056 177.343 176.300 -0.023 0.000 1.136 258 R CA 2.057 58.181 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 -0.255 120.110 120.400 -0.058 0.000 2.340 259 D HA 0.008 4.648 4.640 -0.000 0.000 0.220 259 D C 0.036 176.258 176.300 -0.130 0.000 1.039 259 D CA 0.432 54.402 54.000 -0.050 0.000 0.866 259 D CB 0.174 40.959 40.800 -0.025 0.000 0.913 259 D HN 0.168 nan 8.370 nan 0.000 0.523 260 N N -0.152 118.409 118.700 -0.232 0.000 2.416 260 N HA 0.178 4.918 4.740 -0.000 0.000 0.267 260 N C 0.853 176.249 175.510 -0.189 0.000 1.294 260 N CA 0.033 52.922 53.050 -0.269 0.000 0.891 260 N CB 1.289 39.469 38.487 -0.513 0.000 1.238 260 N HN 0.056 nan 8.380 nan 0.000 0.508 261 G N 0.884 109.598 108.800 -0.144 0.000 2.168 261 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.257 261 G HA3 -0.314 3.646 3.960 -0.000 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 4.985 4.320 -0.000 0.000 0.234 262 K C -0.635 175.756 176.600 -0.347 0.000 1.028 262 K CA -0.938 55.233 56.287 -0.194 0.000 0.882 262 K CB 1.059 33.646 32.500 0.145 0.000 1.194 262 K HN 0.374 nan 8.250 nan 0.000 0.458 263 H N -0.531 118.642 119.070 0.172 0.000 2.547 263 H HA 0.512 5.068 4.556 -0.000 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 -0.000 0.000 0.315 264 A C -1.460 176.127 177.584 0.005 0.000 1.101 264 A CA -0.711 51.317 52.037 -0.015 0.000 0.771 264 A CB 1.246 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 1.847 123.054 121.223 -0.027 0.000 2.341 265 L HA 0.816 5.156 4.340 -0.000 0.000 0.278 265 L C -1.030 175.804 176.870 -0.060 0.000 1.005 265 L CA -0.442 54.379 54.840 -0.032 0.000 0.818 265 L CB 1.348 43.395 42.059 -0.021 0.000 1.259 265 L HN 0.688 nan 8.230 nan 0.000 0.418 266 I N 5.235 125.726 120.570 -0.132 0.000 2.465 266 I HA 0.550 4.720 4.170 -0.000 0.000 0.291 266 I C -1.248 174.613 176.117 -0.428 0.000 1.014 266 I CA -0.529 60.603 61.300 -0.280 0.000 1.093 266 I CB 1.516 39.294 38.000 -0.371 0.000 1.267 266 I HN 0.625 nan 8.210 nan 0.000 0.431 267 I N 7.584 127.906 120.570 -0.413 0.000 2.378 267 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 267 I C -1.263 174.519 176.117 -0.557 0.000 0.992 267 I CA -0.383 60.690 61.300 -0.378 0.000 1.154 267 I CB 1.354 39.293 38.000 -0.102 0.000 1.315 267 I HN 0.428 nan 8.210 nan 0.000 0.448 268 Y N 4.085 124.267 120.300 -0.197 0.000 2.593 268 Y HA 0.316 4.866 4.550 -0.000 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 0.723 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 3.859 124.145 120.400 -0.190 0.000 2.462 269 D HA 0.172 4.812 4.640 -0.000 0.000 0.249 269 D C -1.183 175.073 176.300 -0.074 0.000 1.117 269 D CA -0.340 53.574 54.000 -0.144 0.000 0.900 269 D CB 0.350 41.014 40.800 -0.226 0.000 1.039 269 D HN 0.694 nan 8.370 nan 0.000 0.516 270 D N 0.269 120.657 120.400 -0.021 0.000 2.531 270 D HA 0.238 4.878 4.640 -0.000 0.000 0.244 270 D C 0.890 177.169 176.300 -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 0.204 121.371 121.223 -0.094 0.000 2.395 271 L HA -0.019 4.321 4.340 -0.000 0.000 0.218 271 L C 1.789 178.644 176.870 -0.024 0.000 1.130 271 L CA 0.485 55.217 54.840 -0.179 0.000 0.826 271 L CB -0.369 41.346 42.059 -0.573 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 -0.000 0.000 0.223 272 S C 1.928 176.609 174.600 0.135 0.000 1.032 272 S CA 1.326 59.574 58.200 0.080 0.000 1.005 272 S CB -0.068 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 0.989 121.450 120.400 0.101 0.000 2.155 273 K HA -0.042 4.278 4.320 -0.000 0.000 0.203 273 K C 2.433 179.117 176.600 0.140 0.000 1.052 273 K CA 0.734 57.089 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 0.776 120.655 119.800 0.132 0.000 2.084 274 Q HA -0.157 4.183 4.340 -0.000 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 28.727 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 -0.000 0.000 0.218 275 A C 2.211 180.064 177.584 0.448 0.000 1.175 275 A CA 1.464 53.698 52.037 0.329 0.000 0.628 275 A CB -0.646 18.474 19.000 0.200 0.000 0.814 275 A HN 0.294 nan 8.150 nan 0.000 0.444 276 V N -0.234 119.898 119.914 0.365 0.000 2.343 276 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 276 V C 3.051 179.241 176.094 0.161 0.000 1.051 276 V CA 1.922 64.373 62.300 0.251 0.000 1.036 276 V CB -1.155 30.774 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 4.054 4.320 -0.000 0.000 0.217 277 A C 2.176 179.854 177.584 0.156 0.000 1.181 277 A CA 2.051 54.175 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 0.507 120.871 120.300 0.107 0.000 2.242 278 Y HA -0.169 4.381 4.550 -0.000 0.000 0.291 278 Y C 2.445 178.354 175.900 0.015 0.000 1.137 278 Y CA 1.899 60.022 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 -0.019 0.000 2.083 279 R HA -0.256 4.084 4.340 -0.000 0.000 0.237 279 R C 2.472 178.664 176.300 -0.181 0.000 1.137 279 R CA 2.006 58.021 56.100 -0.142 0.000 0.951 279 R CB -0.479 29.764 30.300 -0.094 0.000 0.851 279 R HN 0.582 nan 8.270 nan 0.000 0.434 280 Q N 0.310 120.044 119.800 -0.110 0.000 2.030 280 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 280 Q C 2.148 178.067 176.000 -0.136 0.000 0.986 280 Q CA 2.348 58.089 55.803 -0.104 0.000 0.843 280 Q CB -0.122 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 -0.257 119.248 119.600 -0.159 0.000 2.080 281 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 281 M C 2.531 178.704 176.300 -0.212 0.000 1.068 281 M CA 1.718 56.907 55.300 -0.183 0.000 1.109 281 M CB -0.320 32.148 32.600 -0.221 0.000 1.342 281 M HN 0.206 nan 8.290 nan 0.000 0.405 282 S N 0.492 116.003 115.700 -0.316 0.000 2.355 282 S HA -0.054 4.416 4.470 -0.000 0.000 0.222 282 S C 1.790 176.278 174.600 -0.187 0.000 1.031 282 S CA 1.041 59.056 58.200 -0.309 0.000 0.993 282 S CB -0.248 62.646 63.200 -0.509 0.000 0.859 282 S HN 0.382 nan 8.310 nan 0.000 0.453 283 L N 0.782 121.903 121.223 -0.170 0.000 2.083 283 L HA -0.058 4.282 4.340 -0.000 0.000 0.209 283 L C 2.207 179.022 176.870 -0.091 0.000 1.083 283 L CA 1.014 55.785 54.840 -0.116 0.000 0.752 283 L CB -0.397 41.595 42.059 -0.111 0.000 0.899 283 L HN 0.336 nan 8.230 nan 0.000 0.433 284 L N -0.923 120.242 121.223 -0.096 0.000 2.341 284 L HA -0.096 4.244 4.340 -0.000 0.000 0.214 284 L C 2.080 178.913 176.870 -0.062 0.000 1.115 284 L CA 0.403 55.199 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 -0.232 120.946 121.223 -0.074 0.000 2.610 285 L HA 0.019 4.359 4.340 -0.000 0.000 0.232 285 L C 0.691 177.535 176.870 -0.043 0.000 1.149 285 L CA 0.032 54.840 54.840 -0.054 0.000 0.872 285 L CB -0.106 41.915 42.059 -0.063 0.000 0.992 285 L HN 0.287 nan 8.230 nan 0.000 0.447 286 R N -0.497 119.973 120.500 -0.050 0.000 3.878 286 R HA -0.158 4.182 4.340 -0.000 0.000 0.330 286 R C -0.046 176.232 176.300 -0.037 0.000 1.186 286 R CA 0.553 56.629 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 0.402 nan 8.270 nan 0.000 0.523 287 R N 1.661 122.132 120.500 -0.049 0.000 2.401 287 R HA 0.185 4.525 4.340 -0.000 0.000 0.299 287 R C -1.989 174.285 176.300 -0.042 0.000 1.064 287 R CA -1.433 54.643 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 0.057 nan 4.420 nan 0.000 0.271 288 P C -2.203 175.085 177.300 -0.020 0.000 1.216 288 P CA -0.991 62.096 63.100 -0.023 0.000 0.771 288 P CB 0.171 31.863 31.700 -0.012 0.000 0.864 289 P HA 0.198 nan 4.420 nan 0.000 0.272 289 P C 0.169 177.471 177.300 0.003 0.000 1.230 289 P CA 0.071 63.160 63.100 -0.020 0.000 0.788 289 P CB 0.875 32.550 31.700 -0.040 0.000 0.949 290 G N 0.947 109.766 108.800 0.031 0.000 3.135 290 G HA2 0.354 4.314 3.960 -0.000 0.000 0.159 290 G HA3 0.354 4.314 3.960 -0.000 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 0.651 121.125 120.500 -0.043 0.000 2.494 291 R HA 0.112 4.452 4.340 -0.000 0.000 0.291 291 R C -0.004 176.314 176.300 0.030 0.000 0.953 291 R CA 0.959 56.972 56.100 -0.145 0.000 1.098 291 R CB -0.074 29.883 30.300 -0.572 0.000 0.911 291 R HN 0.717 nan 8.270 nan 0.000 0.407 292 E N 1.885 122.100 120.200 0.025 0.000 2.722 292 E HA -0.344 4.006 4.350 -0.000 0.000 0.265 292 E C 0.435 177.012 176.600 -0.037 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 3.986 4.320 -0.000 0.000 0.268 293 A C 0.242 177.753 177.584 -0.122 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 0.191 120.526 120.300 0.057 0.000 2.379 294 Y HA 0.400 4.950 4.550 -0.000 0.000 0.337 294 Y C -1.509 174.427 175.900 0.060 0.000 1.238 294 Y CA -1.124 57.026 58.100 0.083 0.000 1.405 294 Y CB 0.200 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 0.020 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 0.166 63.325 63.100 0.098 0.000 0.788 295 P CB 0.729 32.394 31.700 -0.059 0.000 0.949 296 G N 1.550 110.441 108.800 0.152 0.000 2.485 296 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.221 296 G HA3 -0.208 3.752 3.960 -0.000 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 0.007 120.567 120.400 0.267 0.000 2.894 297 D HA 0.169 4.809 4.640 -0.000 0.000 0.273 297 D C 1.334 177.839 176.300 0.342 0.000 1.328 297 D CA -0.640 53.553 54.000 0.321 0.000 0.845 297 D CB 0.360 41.361 40.800 0.335 0.000 1.072 297 D HN 0.048 nan 8.370 nan 0.000 0.484 298 V N -0.064 120.038 119.914 0.313 0.000 2.548 298 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 298 V C 1.705 177.797 176.094 -0.004 0.000 1.055 298 V CA 1.172 63.579 62.300 0.178 0.000 1.065 298 V CB -0.706 31.211 31.823 0.156 0.000 0.681 298 V HN 0.305 nan 8.190 nan 0.000 0.462 299 F N 0.341 120.287 119.950 -0.007 0.000 2.102 299 F HA -0.230 4.297 4.527 -0.000 0.000 0.298 299 F C 2.169 177.999 175.800 0.050 0.000 1.105 299 F CA 2.465 60.460 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 0.748 120.979 120.300 -0.115 0.000 2.274 300 Y HA -0.175 4.375 4.550 -0.000 0.000 0.290 300 Y C 2.143 177.905 175.900 -0.230 0.000 1.145 300 Y CA 1.541 59.518 58.100 -0.205 0.000 1.203 300 Y CB -0.902 37.570 38.460 0.020 0.000 0.984 300 Y HN 0.264 nan 8.280 nan 0.000 0.533 301 L N -0.269 120.755 121.223 -0.331 0.000 2.013 301 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 301 L C 2.124 178.775 176.870 -0.366 0.000 1.073 301 L CA 2.452 57.016 54.840 -0.460 0.000 0.753 301 L CB -0.744 40.938 42.059 -0.628 0.000 0.890 301 L HN 0.355 nan 8.230 nan 0.000 0.432 302 H N -1.984 116.880 119.070 -0.343 0.000 2.465 302 H HA 0.009 4.565 4.556 -0.000 0.000 0.289 302 H C 2.369 177.460 175.328 -0.396 0.000 1.022 302 H CA 0.719 56.546 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 1.556 117.010 115.700 -0.409 0.000 2.383 303 S HA -0.188 4.282 4.470 -0.000 0.000 0.227 303 S C 2.102 176.563 174.600 -0.231 0.000 1.026 303 S CA 0.973 58.920 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 -0.263 0.000 2.115 304 R HA 0.129 4.469 4.340 -0.000 0.000 0.226 304 R C 2.328 178.571 176.300 -0.095 0.000 1.100 304 R CA 1.177 57.169 56.100 -0.179 0.000 0.980 304 R CB -0.804 29.274 30.300 -0.370 0.000 0.875 304 R HN 0.438 nan 8.270 nan 0.000 0.445 305 L N 1.203 122.345 121.223 -0.135 0.000 2.027 305 L HA -0.018 4.322 4.340 -0.000 0.000 0.206 305 L C 2.095 178.872 176.870 -0.156 0.000 1.074 305 L CA 1.614 56.324 54.840 -0.216 0.000 0.745 305 L CB -0.239 41.469 42.059 -0.585 0.000 0.898 305 L HN 0.231 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 -0.000 0.000 0.211 306 L C 2.451 179.307 176.870 -0.023 0.000 1.106 306 L CA 0.480 55.281 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 0.502 120.680 120.200 -0.036 0.000 2.265 307 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 307 E C 2.101 178.702 176.600 0.002 0.000 0.996 307 E CA 0.811 57.205 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 0.492 nan 8.360 nan 0.000 0.491 308 R N 0.360 120.865 120.500 0.010 0.000 2.236 308 R HA 0.097 4.437 4.340 -0.000 0.000 0.208 308 R C 0.912 177.236 176.300 0.039 0.000 1.036 308 R CA 0.335 56.451 56.100 0.027 0.000 1.001 308 R CB 0.116 30.442 30.300 0.042 0.000 0.896 308 R HN -0.082 nan 8.270 nan 0.000 0.464 309 A N 1.394 124.241 122.820 0.044 0.000 2.451 309 A HA 0.561 4.881 4.320 -0.000 0.000 0.266 309 A C -0.177 177.422 177.584 0.024 0.000 1.119 309 A CA 0.137 52.201 52.037 0.044 0.000 0.786 309 A CB 0.244 19.273 19.000 0.048 0.000 1.061 309 A HN 0.310 nan 8.150 nan 0.000 0.503 310 A N 2.494 125.327 122.820 0.023 0.000 2.608 310 A HA 0.687 5.007 4.320 -0.000 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 1.025 20.016 19.000 -0.015 0.000 1.277 310 A HN 0.906 nan 8.150 nan 0.000 0.413 311 K N 1.560 121.965 120.400 0.007 0.000 2.213 311 K HA 0.652 4.972 4.320 -0.000 0.000 0.270 311 K C -0.620 175.980 176.600 -0.000 0.000 1.002 311 K CA -0.258 56.043 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 3.409 123.019 119.600 0.018 0.000 2.318 312 M HA 0.243 4.723 4.480 -0.000 0.000 0.347 312 M C 0.062 176.387 176.300 0.041 0.000 1.175 312 M CA -1.002 54.299 55.300 0.000 0.000 1.075 312 M CB 0.626 33.251 32.600 0.043 0.000 1.614 312 M HN 0.781 nan 8.290 nan 0.000 0.456 313 N N 1.364 120.088 118.700 0.040 0.000 2.288 313 N HA 0.020 4.760 4.740 -0.000 0.000 0.237 313 N C 0.097 175.685 175.510 0.130 0.000 1.311 313 N CA -0.050 53.050 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 -0.585 119.874 120.400 0.099 0.000 2.218 314 D HA -0.089 4.551 4.640 -0.000 0.000 0.204 314 D C 1.687 178.034 176.300 0.079 0.000 0.976 314 D CA 1.521 55.567 54.000 0.077 0.000 0.853 314 D CB -0.596 40.234 40.800 0.049 0.000 0.939 314 D HN 0.708 nan 8.370 nan 0.000 0.481 315 A N 0.115 123.004 122.820 0.116 0.000 1.940 315 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 315 A C 1.535 179.096 177.584 -0.038 0.000 1.176 315 A CA 0.970 53.038 52.037 0.052 0.000 0.631 315 A CB -0.671 18.392 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 4.928 4.527 -0.000 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 39.472 39.000 -0.015 0.000 1.048 316 F HN 0.368 nan 8.300 nan 0.000 0.551 317 G N -0.659 108.193 108.800 0.088 0.000 2.238 317 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.217 317 G HA3 -0.098 3.862 3.960 -0.000 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 -0.343 108.495 108.800 0.063 0.000 2.162 318 G HA2 0.163 4.123 3.960 -0.000 0.000 0.260 318 G HA3 0.163 4.123 3.960 -0.000 0.000 0.260 318 G C 1.530 176.465 174.900 0.059 0.000 0.976 318 G CA 1.156 46.297 45.100 0.068 0.000 0.655 318 G HN 2.102 nan 8.290 nan 0.000 0.533 319 G N -0.455 108.328 108.800 -0.030 0.000 2.653 319 G HA2 0.705 4.665 3.960 -0.000 0.000 0.265 319 G HA3 0.705 4.665 3.960 -0.000 0.000 0.265 319 G C 0.328 175.248 174.900 0.033 0.000 1.237 319 G CA 1.028 46.035 45.100 -0.156 0.000 0.946 319 G HN 1.869 nan 8.290 nan 0.000 0.522 320 S N -1.801 113.950 115.700 0.086 0.000 2.570 320 S HA 0.596 5.066 4.470 -0.000 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 1.907 65.254 63.200 0.245 0.000 1.124 320 S HN 1.171 nan 8.310 nan 0.000 0.465 321 L N 1.573 122.851 121.223 0.091 0.000 2.404 321 L HA 0.712 5.052 4.340 -0.000 0.000 0.272 321 L C -0.799 176.097 176.870 0.043 0.000 0.980 321 L CA 0.198 55.083 54.840 0.076 0.000 0.836 321 L CB 1.837 43.946 42.059 0.082 0.000 1.238 321 L HN 0.920 nan 8.230 nan 0.000 0.408 322 T N 4.276 118.843 114.554 0.022 0.000 2.795 322 T HA 0.818 5.168 4.350 -0.000 0.000 0.282 322 T C -0.209 174.472 174.700 -0.031 0.000 0.980 322 T CA -0.210 61.888 62.100 -0.003 0.000 1.012 322 T CB 1.361 70.220 68.868 -0.015 0.000 0.936 322 T HN 0.794 nan 8.240 nan 0.000 0.457 323 A N 3.458 126.263 122.820 -0.025 0.000 2.318 323 A HA 0.741 5.061 4.320 -0.000 0.000 0.324 323 A C -0.449 177.106 177.584 -0.047 0.000 1.170 323 A CA -0.757 51.244 52.037 -0.061 0.000 0.810 323 A CB 0.509 19.536 19.000 0.045 0.000 1.198 323 A HN 0.872 nan 8.150 nan 0.000 0.484 324 L N 4.721 125.886 121.223 -0.097 0.000 2.435 324 L HA 0.330 4.670 4.340 -0.000 0.000 0.253 324 L C -2.264 174.584 176.870 -0.037 0.000 1.087 324 L CA -1.747 53.065 54.840 -0.047 0.000 0.950 324 L CB 1.251 43.290 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 62.953 63.100 0.072 0.000 0.790 325 P CB 2.088 33.810 31.700 0.037 0.000 0.951 326 V N 3.722 123.630 119.914 -0.010 0.000 2.495 326 V HA 0.403 4.523 4.120 -0.000 0.000 0.298 326 V C 0.243 176.318 176.094 -0.031 0.000 1.031 326 V CA -0.597 61.698 62.300 -0.008 0.000 0.871 326 V CB 1.769 33.596 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 -0.000 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 40.076 38.000 -0.031 0.000 1.251 327 I HN 0.771 nan 8.210 nan 0.000 0.426 328 E N 5.034 125.256 120.200 0.037 0.000 2.146 328 E HA 0.354 4.704 4.350 -0.000 0.000 0.282 328 E C -0.410 176.231 176.600 0.068 0.000 0.989 328 E CA -0.375 56.058 56.400 0.055 0.000 0.799 328 E CB 1.104 30.835 29.700 0.051 0.000 1.088 328 E HN 0.703 nan 8.360 nan 0.000 0.397 329 T N 1.953 116.560 114.554 0.089 0.000 2.847 329 T HA 0.316 4.666 4.350 -0.000 0.000 0.279 329 T C -0.016 174.738 174.700 0.091 0.000 0.984 329 T CA -0.961 61.198 62.100 0.098 0.000 0.988 329 T CB 1.434 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 0.556 4.896 4.340 -0.000 0.000 0.267 330 Q C 0.467 176.516 176.000 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 2.117 124.982 122.820 0.076 0.000 2.826 331 A HA -0.188 4.132 4.320 -0.000 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 -1.429 107.451 108.800 0.133 0.000 2.160 332 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.251 332 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.251 332 G C -0.134 174.899 174.900 0.221 0.000 1.008 332 G CA 0.980 46.213 45.100 0.220 0.000 0.724 332 G HN 1.552 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 0.420 5.060 4.640 -0.000 0.000 0.218 333 D C 1.943 178.234 176.300 -0.014 0.000 1.149 333 D CA 0.191 54.225 54.000 0.058 0.000 0.981 333 D CB 0.339 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 1.036 120.859 119.914 -0.153 0.000 2.688 334 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 334 V C 1.760 177.744 176.094 -0.182 0.000 1.084 334 V CA 1.172 63.273 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 0.299 115.934 115.700 -0.107 0.000 2.671 335 S HA 0.561 5.031 4.470 -0.000 0.000 0.220 335 S C 1.038 175.637 174.600 -0.003 0.000 0.951 335 S CA 0.307 58.474 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 0.770 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 4.772 4.320 -0.000 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 -0.126 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 0.565 120.874 120.300 0.015 0.000 2.036 337 Y HA -0.240 4.310 4.550 -0.000 0.000 0.273 337 Y C 1.798 177.700 175.900 0.003 0.000 1.135 337 Y CA 2.543 60.651 58.100 0.013 0.000 1.106 337 Y CB -0.719 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 0.367 120.772 120.570 -0.274 0.000 2.179 338 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 338 I C -0.727 175.282 176.117 -0.181 0.000 1.088 338 I CA 1.293 62.366 61.300 -0.379 0.000 1.357 338 I CB -1.969 35.849 38.000 -0.303 0.000 1.051 338 I HN 0.205 nan 8.210 nan 0.000 0.409 339 P HA -0.216 nan 4.420 nan 0.000 0.215 339 P C 1.806 179.063 177.300 -0.070 0.000 1.163 339 P CA 2.501 65.561 63.100 -0.065 0.000 0.894 339 P CB -0.411 31.262 31.700 -0.046 0.000 0.791 340 T N -4.273 110.241 114.554 -0.067 0.000 2.915 340 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 340 T C 1.670 176.348 174.700 -0.037 0.000 1.071 340 T CA 1.345 63.416 62.100 -0.048 0.000 1.132 340 T CB -1.364 67.489 68.868 -0.025 0.000 0.878 340 T HN 0.164 nan 8.240 nan 0.000 0.479 341 N N 0.865 119.514 118.700 -0.085 0.000 2.043 341 N HA -0.106 4.634 4.740 -0.000 0.000 0.193 341 N C 1.809 177.381 175.510 0.104 0.000 1.037 341 N CA 1.587 54.636 53.050 -0.002 0.000 0.851 341 N CB -0.254 38.155 38.487 -0.131 0.000 1.027 341 N HN 0.250 nan 8.380 nan 0.000 0.422 342 V N 1.504 121.428 119.914 0.017 0.000 2.453 342 V HA -0.137 3.983 4.120 -0.000 0.000 0.247 342 V C 2.107 178.201 176.094 -0.001 0.000 1.048 342 V CA 1.113 63.409 62.300 -0.005 0.000 1.049 342 V CB -0.402 31.369 31.823 -0.087 0.000 0.672 342 V HN 0.293 nan 8.190 nan 0.000 0.457 343 I N 1.526 122.090 120.570 -0.011 0.000 2.264 343 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 343 I C 2.505 178.634 176.117 0.021 0.000 1.111 343 I CA 1.985 63.280 61.300 -0.008 0.000 1.382 343 I CB -0.400 37.581 38.000 -0.033 0.000 1.060 343 I HN 0.491 nan 8.210 nan 0.000 0.418 344 S N 0.032 115.761 115.700 0.048 0.000 2.607 344 S HA 0.070 4.540 4.470 -0.000 0.000 0.224 344 S C 1.582 176.271 174.600 0.148 0.000 0.969 344 S CA 0.380 58.630 58.200 0.082 0.000 0.927 344 S CB -0.400 62.840 63.200 0.067 0.000 0.772 344 S HN 0.445 nan 8.310 nan 0.000 0.533 345 I N 1.561 122.207 120.570 0.125 0.000 2.947 345 I HA 0.055 4.225 4.170 -0.000 0.000 0.263 345 I C 1.465 177.606 176.117 0.040 0.000 1.130 345 I CA 0.579 61.934 61.300 0.093 0.000 1.448 345 I CB -0.512 37.496 38.000 0.015 0.000 1.222 345 I HN 0.336 nan 8.210 nan 0.000 0.453 346 T N -1.262 113.304 114.554 0.020 0.000 2.766 346 T HA 0.057 4.407 4.350 -0.000 0.000 0.295 346 T C 0.253 174.962 174.700 0.016 0.000 1.024 346 T CA -0.405 61.701 62.100 0.010 0.000 1.018 346 T CB 0.607 69.476 68.868 0.002 0.000 1.002 346 T HN 0.055 nan 8.240 nan 0.000 0.532 347 D N 1.030 121.438 120.400 0.012 0.000 2.881 347 D HA 0.423 5.063 4.640 -0.000 0.000 0.240 347 D C 0.967 177.274 176.300 0.011 0.000 1.249 347 D CA 0.374 54.381 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 1.158 109.966 108.800 0.012 0.000 2.355 348 G HA2 0.149 4.109 3.960 -0.000 0.000 0.619 348 G HA3 0.149 4.109 3.960 -0.000 0.000 0.619 348 G C -1.675 173.236 174.900 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 -0.000 0.000 0.279 349 Q C -1.703 174.340 176.000 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 2.616 123.238 120.570 0.087 0.000 2.328 350 I HA 0.332 4.502 4.170 -0.000 0.000 0.287 350 I C -0.877 175.346 176.117 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 8.307 128.265 119.950 0.014 0.000 2.404 351 F HA 0.581 5.108 4.527 -0.000 0.000 0.354 351 F C -0.882 174.932 175.800 0.022 0.000 1.122 351 F CA -0.894 57.115 58.000 0.016 0.000 1.080 351 F CB 0.626 39.636 39.000 0.017 0.000 1.131 351 F HN 0.178 nan 8.300 nan 0.000 0.471 352 L N 5.805 126.794 121.223 -0.390 0.000 2.325 352 L HA 0.559 4.899 4.340 -0.000 0.000 0.278 352 L C -0.570 175.923 176.870 -0.629 0.000 1.023 352 L CA -0.693 53.910 54.840 -0.395 0.000 0.811 352 L CB 1.858 43.830 42.059 -0.145 0.000 1.249 352 L HN 0.528 nan 8.230 nan 0.000 0.431 353 E N -0.159 119.785 120.200 -0.427 0.000 2.293 353 E HA 0.197 4.547 4.350 -0.000 0.000 0.270 353 E C 0.186 176.719 176.600 -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 31.911 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 -0.000 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 0.883 121.150 120.200 0.111 0.000 2.049 355 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 355 E C 2.251 178.918 176.600 0.111 0.000 1.007 355 E CA 1.489 57.965 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 -0.132 121.122 121.223 0.052 0.000 2.046 356 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 356 L C 2.484 179.365 176.870 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 0.165 120.025 119.950 -0.150 0.000 2.065 357 F HA -0.342 4.185 4.527 -0.000 0.000 0.298 357 F C 2.296 177.938 175.800 -0.264 0.000 1.112 357 F CA 1.876 59.715 58.000 -0.268 0.000 1.212 357 F CB -0.363 38.372 39.000 -0.442 0.000 0.975 357 F HN -0.050 nan 8.300 nan 0.000 0.476 358 Y N -0.316 120.117 120.300 0.221 0.000 2.457 358 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 358 Y C 2.084 177.998 175.900 0.023 0.000 1.125 358 Y CA 0.637 58.810 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 -0.317 120.159 120.400 0.127 0.000 2.504 359 K HA 0.009 4.329 4.320 -0.000 0.000 0.195 359 K C 1.440 178.043 176.600 0.005 0.000 1.036 359 K CA 0.815 57.140 56.287 0.062 0.000 0.984 359 K CB -0.146 32.383 32.500 0.049 0.000 0.788 359 K HN 0.470 nan 8.250 nan 0.000 0.488 360 G N 1.016 109.779 108.800 -0.061 0.000 2.176 360 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.232 360 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.232 360 G C 0.053 174.872 174.900 -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 2.172 122.673 120.570 -0.115 0.000 2.349 361 I HA 0.324 4.494 4.170 -0.000 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 -0.694 37.281 38.000 -0.043 0.000 1.474 361 I HN 0.164 nan 8.210 nan 0.000 0.632 362 R N 7.077 127.459 120.500 -0.197 0.000 2.532 362 R HA 0.434 4.774 4.340 -0.000 0.000 0.297 362 R C -2.542 173.678 176.300 -0.133 0.000 0.984 362 R CA -1.720 54.244 56.100 -0.228 0.000 0.884 362 R CB 2.311 32.366 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 -0.017 63.049 63.100 -0.056 0.000 0.768 363 P CB 0.827 32.507 31.700 -0.034 0.000 0.838 364 A N 4.497 127.313 122.820 -0.007 0.000 2.810 364 A HA 0.162 4.482 4.320 -0.000 0.000 0.247 364 A C 0.775 178.323 177.584 -0.060 0.000 1.576 364 A CA -0.317 51.712 52.037 -0.012 0.000 1.294 364 A CB -1.466 17.589 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 4.195 4.170 -0.000 0.000 0.289 365 I C 0.543 176.645 176.117 -0.025 0.000 1.056 365 I CA -0.340 60.938 61.300 -0.036 0.000 1.365 365 I CB 0.555 38.554 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 -0.000 0.000 0.260 366 N C 0.772 176.338 175.510 0.094 0.000 1.152 366 N CA -0.005 53.069 53.050 0.041 0.000 0.948 366 N CB 1.478 40.022 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 3.983 4.120 -0.000 0.000 0.245 367 V C 2.380 178.520 176.094 0.078 0.000 1.043 367 V CA 2.222 64.564 62.300 0.071 0.000 1.014 367 V CB -0.952 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 -0.426 108.421 108.800 0.079 0.000 2.432 368 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 368 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 368 G C 1.513 176.457 174.900 0.074 0.000 1.135 368 G CA 0.736 45.876 45.100 0.066 0.000 0.767 368 G HN 0.483 nan 8.290 nan 0.000 0.550 369 L N 0.705 121.999 121.223 0.118 0.000 2.509 369 L HA 0.178 4.518 4.340 -0.000 0.000 0.222 369 L C 0.816 177.754 176.870 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 0.205 0.000 0.985 369 L HN 0.032 nan 8.230 nan 0.000 0.456 370 S N 0.235 116.015 115.700 0.132 0.000 2.586 370 S HA 0.506 4.976 4.470 -0.000 0.000 0.274 370 S C -0.182 174.454 174.600 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 0.109 0.000 0.962 370 S HN 0.098 nan 8.310 nan 0.000 0.512 371 V N -0.295 119.646 119.914 0.046 0.000 3.114 371 V HA 0.917 5.037 4.120 -0.000 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 1.890 33.725 31.823 0.020 0.000 1.050 371 V HN 0.719 nan 8.190 nan 0.000 0.433 372 S N 1.354 117.065 115.700 0.018 0.000 2.502 372 S HA 0.583 5.053 4.470 -0.000 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 4.512 4.340 -0.000 0.000 0.208 373 R C 0.832 177.135 176.300 0.004 0.000 0.914 373 R CA 0.293 56.397 56.100 0.007 0.000 1.060 373 R CB 0.057 30.362 30.300 0.009 0.000 1.015 373 R HN 0.494 nan 8.270 nan 0.000 0.498 374 V N -0.379 119.536 119.914 0.002 0.000 2.922 374 V HA 0.178 4.298 4.120 -0.000 0.000 0.242 374 V C 1.401 177.493 176.094 -0.002 0.000 1.094 374 V CA 1.014 63.313 62.300 -0.002 0.000 1.106 374 V CB 0.123 31.943 31.823 -0.006 0.000 0.799 374 V HN 0.597 nan 8.190 nan 0.000 0.474 375 G N 1.414 110.213 108.800 -0.000 0.000 2.547 375 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.271 375 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.271 375 G C 1.100 175.998 174.900 -0.003 0.000 1.209 375 G CA 0.984 46.084 45.100 0.000 0.000 0.959 375 G HN 0.959 nan 8.290 nan 0.000 0.563 376 S N 0.225 115.924 115.700 -0.002 0.000 2.474 376 S HA 0.260 4.730 4.470 -0.000 0.000 0.235 376 S C 2.547 177.143 174.600 -0.007 0.000 0.997 376 S CA 1.686 59.884 58.200 -0.003 0.000 0.949 376 S CB -0.344 62.856 63.200 -0.001 0.000 0.766 376 S HN 2.116 nan 8.310 nan 0.000 0.517 377 A N 1.334 124.150 122.820 -0.008 0.000 2.070 377 A HA 0.392 4.712 4.320 -0.000 0.000 0.220 377 A C 2.146 179.718 177.584 -0.020 0.000 1.159 377 A CA 1.275 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 -1.310 121.498 122.820 -0.020 0.000 2.379 378 A HA 0.383 4.703 4.320 -0.000 0.000 0.236 378 A C 0.637 178.202 177.584 -0.032 0.000 1.272 378 A CA -0.189 51.829 52.037 -0.031 0.000 0.886 378 A CB -0.008 18.976 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 -0.000 0.000 0.267 379 Q C -0.081 175.908 176.000 -0.018 0.000 1.035 379 Q CA -0.603 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 -1.809 112.736 114.554 -0.015 0.000 2.900 380 T HA 0.086 4.436 4.350 -0.000 0.000 0.307 380 T C 0.964 175.662 174.700 -0.002 0.000 1.065 380 T CA -0.358 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 1.329 121.828 120.500 -0.001 0.000 2.103 381 R HA -0.150 4.190 4.340 -0.000 0.000 0.242 381 R C 2.584 178.893 176.300 0.014 0.000 1.142 381 R CA 1.616 57.719 56.100 0.005 0.000 0.960 381 R CB -1.044 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 0.831 123.659 122.820 0.014 0.000 1.873 382 A HA -0.267 4.053 4.320 -0.000 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 -0.199 119.417 119.600 0.025 0.000 2.132 383 M HA -0.068 4.412 4.480 -0.000 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 -0.453 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 -0.000 0.000 0.206 384 K C 1.994 178.605 176.600 0.018 0.000 1.049 384 K CA 1.725 58.020 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 4.186 4.340 -0.000 0.000 0.202 385 Q C 2.112 178.136 176.000 0.040 0.000 0.982 385 Q CA 2.097 57.923 55.803 0.038 0.000 0.838 385 Q CB -0.024 28.747 28.738 0.056 0.000 0.899 385 Q HN 0.370 nan 8.270 nan 0.000 0.423 386 V N -3.531 116.415 119.914 0.053 0.000 2.951 386 V HA 0.205 4.325 4.120 -0.000 0.000 0.255 386 V C 1.448 177.552 176.094 0.016 0.000 1.088 386 V CA 1.270 63.599 62.300 0.049 0.000 1.109 386 V CB -0.044 31.836 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 0.016 0.000 2.508 387 A HA 0.592 4.912 4.320 -0.000 0.000 0.257 387 A C 1.937 179.522 177.584 0.002 0.000 1.226 387 A CA 0.546 52.586 52.037 0.006 0.000 0.947 387 A CB -0.320 18.686 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 3.718 3.960 -0.000 0.000 0.219 388 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 388 G C 1.417 176.315 174.900 -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 -3.165 111.385 114.554 -0.007 0.000 3.040 389 T HA 0.335 4.685 4.350 -0.000 0.000 0.266 389 T C 1.966 176.662 174.700 -0.007 0.000 1.005 389 T CA 0.444 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 1.066 120.660 119.600 -0.009 0.000 2.229 390 M HA 0.083 4.563 4.480 -0.000 0.000 0.264 390 M C 2.322 178.624 176.300 0.002 0.000 1.063 390 M CA 1.432 56.726 55.300 -0.011 0.000 1.114 390 M CB -0.141 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 -0.000 0.000 0.207 391 K C 1.770 178.385 176.600 0.026 0.000 1.049 391 K CA 1.369 57.667 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 0.572 121.806 121.223 0.018 0.000 2.093 392 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 392 L C 2.596 179.482 176.870 0.027 0.000 1.085 392 L CA 1.219 56.071 54.840 0.019 0.000 0.755 392 L CB -0.491 41.575 42.059 0.010 0.000 0.904 392 L HN 0.383 nan 8.230 nan 0.000 0.435 393 E N 0.959 121.173 120.200 0.023 0.000 2.077 393 E HA -0.220 4.130 4.350 -0.000 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 0.007 29.709 29.700 0.003 0.000 0.746 393 E HN 0.466 nan 8.360 nan 0.000 0.452 394 L N 0.263 121.530 121.223 0.072 0.000 2.156 394 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 394 L C 2.615 179.586 176.870 0.168 0.000 1.095 394 L CA 0.746 55.670 54.840 0.140 0.000 0.770 394 L CB -0.320 41.791 42.059 0.087 0.000 0.914 394 L HN 0.215 nan 8.230 nan 0.000 0.439 395 A N -0.708 122.167 122.820 0.092 0.000 1.902 395 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 395 A C 2.251 179.861 177.584 0.044 0.000 1.181 395 A CA 1.276 53.349 52.037 0.060 0.000 0.623 395 A CB -0.354 18.670 19.000 0.040 0.000 0.818 395 A HN 0.346 nan 8.150 nan 0.000 0.443 396 Q N -1.610 118.221 119.800 0.052 0.000 2.119 396 Q HA -0.176 4.164 4.340 -0.000 0.000 0.201 396 Q C 1.934 177.964 176.000 0.050 0.000 0.972 396 Q CA 1.763 57.587 55.803 0.035 0.000 0.847 396 Q CB -0.505 28.252 28.738 0.032 0.000 0.903 396 Q HN 0.898 nan 8.270 nan 0.000 0.433 397 Y N 1.438 121.733 120.300 -0.008 0.000 2.165 397 Y HA -0.224 4.326 4.550 -0.000 0.000 0.286 397 Y C 2.123 178.023 175.900 -0.000 0.000 1.155 397 Y CA 1.755 59.851 58.100 -0.007 0.000 1.164 397 Y CB -0.196 38.256 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 -0.000 0.000 0.230 398 R C 2.392 178.538 176.300 -0.257 0.000 1.111 398 R CA 1.276 57.108 56.100 -0.447 0.000 0.976 398 R CB -0.311 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 -0.000 0.000 0.191 399 E C 1.829 178.395 176.600 -0.057 0.000 0.985 399 E CA 1.305 57.660 56.400 -0.076 0.000 0.801 399 E CB 0.166 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 1.360 121.231 119.914 -0.073 0.000 2.453 400 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 400 V C 2.598 178.664 176.094 -0.047 0.000 1.048 400 V CA 1.483 63.783 62.300 0.001 0.000 1.049 400 V CB -0.859 30.978 31.823 0.023 0.000 0.672 400 V HN 0.299 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 4.167 4.320 -0.000 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 -1.438 121.293 122.820 -0.148 0.000 1.902 402 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 402 A C 2.061 179.586 177.584 -0.098 0.000 1.181 402 A CA 1.662 53.641 52.037 -0.098 0.000 0.623 402 A CB -0.676 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 0.698 120.529 119.950 -0.197 0.000 2.259 403 F HA 0.152 4.679 4.527 0.000 0.000 0.298 403 F C 2.110 177.638 175.800 -0.453 0.000 1.088 403 F CA 1.056 58.928 58.000 -0.213 0.000 1.358 403 F CB -0.117 38.819 39.000 -0.106 0.000 1.040 403 F HN 0.189 nan 8.300 nan 0.000 0.505 404 A N -0.254 122.279 122.820 -0.478 0.000 2.307 404 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 404 A C 1.899 179.062 177.584 -0.701 0.000 1.228 404 A CA 0.098 51.764 52.037 -0.618 0.000 0.857 404 A CB -0.696 18.171 19.000 -0.222 0.000 0.897 404 A HN 0.534 nan 8.150 nan 0.000 0.495 405 Q N -0.251 119.108 119.800 -0.734 0.000 2.156 405 Q HA -0.200 4.140 4.340 -0.000 0.000 0.211 405 Q C -0.080 175.715 176.000 -0.342 0.000 0.995 405 Q CA 1.353 56.889 55.803 -0.445 0.000 0.877 405 Q CB -0.474 28.085 28.738 -0.299 0.000 0.920 405 Q HN 0.864 nan 8.270 nan 0.000 0.416 406 F N -0.955 118.925 119.950 -0.116 0.000 2.443 406 F HA 0.413 4.940 4.527 -0.000 0.000 0.353 406 F C 1.098 176.843 175.800 -0.091 0.000 1.101 406 F CA -0.936 57.006 58.000 -0.097 0.000 1.226 406 F CB 0.354 39.288 39.000 -0.110 0.000 1.140 406 F HN -0.190 nan 8.300 nan 0.000 0.557 407 G N 2.184 111.051 108.800 0.112 0.000 3.180 407 G HA2 0.269 4.229 3.960 -0.000 0.000 0.252 407 G HA3 0.269 4.229 3.960 -0.000 0.000 0.252 407 G C -0.059 174.890 174.900 0.081 0.000 0.871 407 G CA -0.266 44.867 45.100 0.056 0.000 1.979 407 G HN 0.857 nan 8.290 nan 0.000 0.624 408 S N 0.795 116.573 115.700 0.130 0.000 2.585 408 S HA 0.308 4.778 4.470 -0.000 0.000 0.277 408 S C 0.197 174.835 174.600 0.064 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 2.272 122.702 120.400 0.049 0.000 2.661 409 D HA -0.067 4.573 4.640 -0.000 0.000 0.244 409 D C -0.488 175.840 176.300 0.046 0.000 1.196 409 D CA 0.381 54.405 54.000 0.039 0.000 0.881 409 D CB -0.145 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 2.079 123.324 121.223 0.037 0.000 2.334 410 L HA 0.223 4.563 4.340 -0.000 0.000 0.276 410 L C 0.531 177.422 176.870 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 1.570 121.994 120.400 0.041 0.000 2.371 411 D HA 0.173 4.813 4.640 -0.000 0.000 0.242 411 D C 0.959 177.272 176.300 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 41.765 40.800 0.030 0.000 1.137 411 D HN 0.527 nan 8.370 nan 0.000 0.464 412 A N 0.697 123.525 122.820 0.013 0.000 1.933 412 A HA 0.011 4.331 4.320 -0.000 0.000 0.218 412 A C 2.181 179.768 177.584 0.004 0.000 1.175 412 A CA 2.262 54.302 52.037 0.006 0.000 0.628 412 A CB -1.304 17.696 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 4.224 4.320 -0.000 0.000 0.217 413 A C 2.445 180.038 177.584 0.015 0.000 1.181 413 A CA 2.506 54.546 52.037 0.005 0.000 0.623 413 A CB -1.372 17.631 19.000 0.005 0.000 0.818 413 A HN 0.732 nan 8.150 nan 0.000 0.443 414 T N -2.246 112.324 114.554 0.027 0.000 2.821 414 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 414 T C 1.914 176.639 174.700 0.042 0.000 1.046 414 T CA 1.425 63.550 62.100 0.042 0.000 1.139 414 T CB -0.436 68.468 68.868 0.060 0.000 0.871 414 T HN 0.566 nan 8.240 nan 0.000 0.454 415 Q N 0.465 120.282 119.800 0.028 0.000 2.084 415 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 415 Q C 2.561 178.569 176.000 0.013 0.000 0.978 415 Q CA 1.726 57.542 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 0.957 120.757 119.800 0.001 0.000 2.084 416 Q HA -0.152 4.188 4.340 -0.000 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 -0.103 4.236 4.340 -0.000 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 -1.984 119.306 121.223 0.113 0.000 2.044 418 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 418 L C 2.506 179.407 176.870 0.053 0.000 1.075 418 L CA 1.143 56.099 54.840 0.193 0.000 0.747 418 L CB -0.585 41.561 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 4.217 4.470 -0.000 0.000 0.222 419 S C 2.015 176.540 174.600 -0.125 0.000 1.035 419 S CA 1.616 59.784 58.200 -0.053 0.000 1.025 419 S CB -0.309 62.862 63.200 -0.047 0.000 0.902 419 S HN 0.272 nan 8.310 nan 0.000 0.440 420 R N 1.540 121.956 120.500 -0.139 0.000 2.073 420 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 420 R C 2.351 178.464 176.300 -0.312 0.000 1.134 420 R CA 1.966 57.953 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 0.377 nan 8.270 nan 0.000 0.433 421 G N -0.453 108.051 108.800 -0.493 0.000 2.440 421 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 421 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 421 G C 1.477 175.690 174.900 -1.145 0.000 1.154 421 G CA 1.015 45.435 45.100 -1.133 0.000 0.767 421 G HN 0.256 nan 8.290 nan 0.000 0.552 422 V N 0.477 119.957 119.914 -0.723 0.000 2.343 422 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 422 V C 2.970 178.946 176.094 -0.196 0.000 1.051 422 V CA 2.198 64.338 62.300 -0.268 0.000 1.036 422 V CB -0.406 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 -0.591 119.784 120.500 -0.208 0.000 2.093 423 R HA 0.049 4.389 4.340 -0.000 0.000 0.224 423 R C 2.221 178.426 176.300 -0.159 0.000 1.101 423 R CA 1.028 57.032 56.100 -0.160 0.000 0.979 423 R CB -0.300 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 4.194 4.340 -0.000 0.000 0.209 424 L C 2.047 178.846 176.870 -0.119 0.000 1.094 424 L CA 1.240 55.987 54.840 -0.155 0.000 0.763 424 L CB -0.634 41.323 42.059 -0.169 0.000 0.908 424 L HN 0.249 nan 8.230 nan 0.000 0.437 425 T N -0.887 113.583 114.554 -0.141 0.000 2.746 425 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 425 T C 1.791 176.465 174.700 -0.043 0.000 1.039 425 T CA 1.133 63.194 62.100 -0.065 0.000 1.142 425 T CB -0.106 68.749 68.868 -0.022 0.000 0.866 425 T HN 0.284 nan 8.240 nan 0.000 0.444 426 E N 1.101 121.270 120.200 -0.051 0.000 2.110 426 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 426 E C 2.305 178.889 176.600 -0.027 0.000 0.988 426 E CA 0.632 57.013 56.400 -0.032 0.000 0.804 426 E CB -0.487 29.196 29.700 -0.028 0.000 0.745 426 E HN 0.444 nan 8.360 nan 0.000 0.458 427 L N 0.287 121.486 121.223 -0.040 0.000 2.131 427 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 427 L C 2.239 179.101 176.870 -0.014 0.000 1.092 427 L CA 0.739 55.564 54.840 -0.024 0.000 0.759 427 L CB -0.184 41.851 42.059 -0.040 0.000 0.903 427 L HN 0.110 nan 8.230 nan 0.000 0.435 428 L N -0.869 120.340 121.223 -0.023 0.000 2.591 428 L HA -0.000 4.340 4.340 -0.000 0.000 0.228 428 L C 0.779 177.635 176.870 -0.023 0.000 1.133 428 L CA 0.063 54.892 54.840 -0.018 0.000 0.880 428 L CB -0.187 41.862 42.059 -0.016 0.000 1.033 428 L HN 0.074 nan 8.230 nan 0.000 0.450 429 K N 1.402 121.786 120.400 -0.027 0.000 2.401 429 K HA 0.203 4.523 4.320 -0.000 0.000 0.278 429 K C -0.163 176.415 176.600 -0.036 0.000 1.018 429 K CA 0.305 56.567 56.287 -0.041 0.000 0.981 429 K CB 0.722 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 0.738 120.506 119.800 -0.053 0.000 2.353 430 Q HA 0.337 4.677 4.340 -0.000 0.000 0.275 430 Q C -0.664 175.291 176.000 -0.075 0.000 1.029 430 Q CA -0.643 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 1.330 110.090 108.800 -0.067 0.000 2.588 431 G HA2 0.226 4.186 3.960 -0.000 0.000 0.278 431 G HA3 0.226 4.186 3.960 -0.000 0.000 0.278 431 G C -0.648 174.169 174.900 -0.138 0.000 1.307 431 G CA -0.160 44.886 45.100 -0.089 0.000 1.016 431 G HN 0.576 nan 8.290 nan 0.000 0.503 432 Q N -1.751 117.921 119.800 -0.213 0.000 2.215 432 Q HA 0.391 4.731 4.340 -0.000 0.000 0.256 432 Q C -0.651 175.161 176.000 -0.313 0.000 0.972 432 Q CA -0.651 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 -1.118 119.179 120.300 -0.006 0.000 4.490 433 Y HA -0.258 4.292 4.550 -0.000 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 -1.755 36.697 38.460 -0.013 0.000 1.622 433 Y HN 0.331 nan 8.280 nan 0.000 0.675 434 S N 0.188 115.927 115.700 0.066 0.000 2.399 434 S HA 0.214 4.684 4.470 -0.000 0.000 0.198 434 S C -2.339 172.264 174.600 0.006 0.000 1.294 434 S CA -0.834 57.386 58.200 0.035 0.000 1.237 434 S CB 0.812 64.027 63.200 0.024 0.000 1.286 434 S HN 0.082 nan 8.310 nan 0.000 0.404 435 P HA 0.087 nan 4.420 nan 0.000 0.264 435 P C -0.499 176.792 177.300 -0.016 0.000 1.193 435 P CA 0.148 63.247 63.100 -0.002 0.000 0.763 435 P CB 0.371 32.078 31.700 0.011 0.000 0.810 436 M N 2.214 121.807 119.600 -0.013 0.000 2.233 436 M HA 0.385 4.865 4.480 -0.000 0.000 0.355 436 M C 0.782 177.070 176.300 -0.020 0.000 1.191 436 M CA -0.593 54.696 55.300 -0.019 0.000 1.101 436 M CB 1.352 33.947 32.600 -0.010 0.000 1.592 436 M HN 0.368 nan 8.290 nan 0.000 0.461 437 A N 2.330 125.125 122.820 -0.042 0.000 2.483 437 A HA 0.084 4.404 4.320 -0.000 0.000 0.238 437 A C 0.990 178.572 177.584 -0.004 0.000 1.070 437 A CA -0.340 51.673 52.037 -0.040 0.000 0.770 437 A CB 0.078 19.036 19.000 -0.071 0.000 1.008 437 A HN 0.945 nan 8.150 nan 0.000 0.497 438 I N 0.892 121.479 120.570 0.028 0.000 2.286 438 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 438 I C 2.476 178.602 176.117 0.015 0.000 1.115 438 I CA 2.329 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 0.850 nan 8.210 nan 0.000 0.418 439 E N 0.473 120.674 120.200 0.002 0.000 2.150 439 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 439 E C 1.758 178.344 176.600 -0.024 0.000 0.985 439 E CA 1.529 57.921 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 0.649 nan 8.360 nan 0.000 0.466 440 E N 0.945 121.128 120.200 -0.029 0.000 2.072 440 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 440 E C 2.362 178.965 176.600 0.005 0.000 0.985 440 E CA 1.145 57.524 56.400 -0.035 0.000 0.801 440 E CB -0.087 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 0.425 120.233 119.800 0.015 0.000 2.061 441 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 441 Q C 2.441 178.474 176.000 0.055 0.000 0.984 441 Q CA 1.494 57.316 55.803 0.033 0.000 0.846 441 Q CB -0.158 28.596 28.738 0.026 0.000 0.902 441 Q HN 0.159 nan 8.270 nan 0.000 0.421 442 V N 1.125 121.069 119.914 0.049 0.000 2.332 442 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 442 V C 2.300 178.465 176.094 0.117 0.000 1.055 442 V CA 1.849 64.192 62.300 0.072 0.000 1.038 442 V CB -1.029 30.822 31.823 0.047 0.000 0.651 442 V HN 0.416 nan 8.190 nan 0.000 0.450 443 A N 0.459 123.332 122.820 0.088 0.000 1.902 443 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 443 A C 2.413 180.196 177.584 0.333 0.000 1.181 443 A CA 2.363 54.488 52.037 0.148 0.000 0.623 443 A CB -0.728 18.294 19.000 0.037 0.000 0.818 443 A HN 0.614 nan 8.150 nan 0.000 0.443 444 V N -1.934 118.134 119.914 0.255 0.000 2.323 444 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 444 V C 2.160 178.344 176.094 0.149 0.000 1.041 444 V CA 1.499 63.952 62.300 0.254 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 0.091 120.732 120.570 0.119 0.000 2.264 445 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 445 I C 2.580 178.747 176.117 0.084 0.000 1.111 445 I CA 2.235 63.577 61.300 0.071 0.000 1.382 445 I CB -1.538 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 2.165 122.480 120.300 0.025 0.000 2.114 446 Y HA -0.314 4.236 4.550 -0.000 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 -0.121 122.773 122.820 0.123 0.000 1.933 447 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 447 A C 2.411 179.943 177.584 -0.087 0.000 1.175 447 A CA 1.757 53.773 52.037 -0.035 0.000 0.628 447 A CB -1.610 17.228 19.000 -0.270 0.000 0.814 447 A HN 0.622 nan 8.150 nan 0.000 0.444 448 G N -1.245 107.484 108.800 -0.117 0.000 2.404 448 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.213 448 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.213 448 G C 1.560 176.364 174.900 -0.159 0.000 1.189 448 G CA 0.967 45.976 45.100 -0.153 0.000 0.796 448 G HN 0.435 nan 8.290 nan 0.000 0.532 449 V N 0.708 120.534 119.914 -0.145 0.000 2.626 449 V HA 0.030 4.150 4.120 -0.000 0.000 0.252 449 V C 2.474 178.435 176.094 -0.223 0.000 1.067 449 V CA 1.275 63.480 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 0.000 120.318 120.500 -0.305 0.000 2.310 450 R HA 0.259 4.599 4.340 -0.000 0.000 0.202 450 R C 1.619 177.614 176.300 -0.508 0.000 0.933 450 R CA 0.794 56.656 56.100 -0.397 0.000 1.054 450 R CB -0.141 29.866 30.300 -0.489 0.000 0.985 450 R HN 0.651 nan 8.270 nan 0.000 0.489 451 G N 0.312 108.878 108.800 -0.390 0.000 2.159 451 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.227 451 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.227 451 G C 0.479 175.143 174.900 -0.394 0.000 0.986 451 G CA -0.008 44.866 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 -0.000 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 38.397 38.460 -0.201 0.000 1.001 452 Y HN 0.373 nan 8.280 nan 0.000 0.555 453 L N -0.732 120.354 121.223 -0.229 0.000 2.607 453 L HA 0.029 4.369 4.340 -0.000 0.000 0.228 453 L C 0.985 177.744 176.870 -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 -0.000 0.000 0.204 454 D C 1.741 177.997 176.300 -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 -0.610 119.759 120.400 -0.053 0.000 2.353 455 K HA 0.150 4.470 4.320 -0.000 0.000 0.195 455 K C -0.021 176.584 176.600 0.009 0.000 1.031 455 K CA -0.248 56.029 56.287 -0.017 0.000 1.079 455 K CB 0.472 32.971 32.500 -0.002 0.000 0.857 455 K HN -0.039 nan 8.250 nan 0.000 0.535 456 L N 2.089 123.315 121.223 0.005 0.000 2.417 456 L HA 0.098 4.438 4.340 -0.000 0.000 0.268 456 L C 0.224 177.118 176.870 0.039 0.000 1.158 456 L CA 0.093 54.967 54.840 0.057 0.000 0.819 456 L CB 0.444 42.533 42.059 0.051 0.000 1.112 456 L HN 0.151 nan 8.230 nan 0.000 0.458 457 E N 4.626 124.867 120.200 0.069 0.000 2.415 457 E HA -0.031 4.319 4.350 -0.000 0.000 0.263 457 E C -1.505 175.124 176.600 0.049 0.000 0.995 457 E CA -1.124 55.306 56.400 0.050 0.000 0.915 457 E CB 0.344 30.077 29.700 0.055 0.000 0.951 457 E HN 0.426 nan 8.360 nan 0.000 0.449 458 P HA -0.255 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 1.505 64.613 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 -1.173 114.555 115.700 0.047 0.000 2.474 459 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 459 S C 1.530 176.185 174.600 0.091 0.000 0.997 459 S CA 0.907 59.141 58.200 0.056 0.000 0.949 459 S CB -0.726 62.502 63.200 0.047 0.000 0.766 459 S HN 0.204 nan 8.310 nan 0.000 0.517 460 K N 0.089 120.567 120.400 0.131 0.000 2.372 460 K HA 0.330 4.650 4.320 -0.000 0.000 0.200 460 K C 0.853 177.618 176.600 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 0.302 0.000 0.855 460 K HN 0.292 nan 8.250 nan 0.000 0.524 461 I N 1.267 121.921 120.570 0.139 0.000 2.202 461 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 461 I C 1.915 178.103 176.117 0.119 0.000 1.091 461 I CA 1.702 63.045 61.300 0.071 0.000 1.368 461 I CB -1.175 36.817 38.000 -0.014 0.000 1.058 461 I HN 0.095 nan 8.210 nan 0.000 0.410 462 T N 0.807 115.426 114.554 0.108 0.000 2.788 462 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 462 T C 1.972 176.764 174.700 0.153 0.000 1.044 462 T CA 1.306 63.470 62.100 0.106 0.000 1.139 462 T CB -0.128 68.782 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 -0.109 4.211 4.320 -0.000 0.000 0.208 463 K C 2.093 178.874 176.600 0.302 0.000 1.048 463 K CA 1.263 57.719 56.287 0.281 0.000 0.929 463 K CB -0.345 32.381 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 -0.229 4.298 4.527 -0.000 0.000 0.298 464 F C 2.435 178.199 175.800 -0.061 0.000 1.113 464 F CA 2.052 59.834 58.000 -0.363 0.000 1.214 464 F CB -0.178 38.435 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 -0.271 4.079 4.350 -0.000 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 0.478 119.245 118.700 0.111 0.000 2.069 466 N HA -0.166 4.574 4.740 -0.000 0.000 0.191 466 N C 1.676 177.230 175.510 0.074 0.000 1.031 466 N CA 1.490 54.589 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 4.243 4.320 -0.000 0.000 0.217 467 A C 2.091 179.751 177.584 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 0.113 119.864 119.950 -0.332 0.000 2.163 468 F HA -0.056 4.471 4.527 -0.000 0.000 0.297 468 F C 1.786 177.397 175.800 -0.315 0.000 1.094 468 F CA 1.467 58.997 58.000 -0.783 0.000 1.290 468 F CB -0.340 37.993 39.000 -1.113 0.000 1.017 468 F HN 0.188 nan 8.300 nan 0.000 0.483 469 L N 0.610 121.660 121.223 -0.289 0.000 2.017 469 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 469 L C 2.724 179.451 176.870 -0.238 0.000 1.073 469 L CA 2.342 57.004 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 -2.041 113.589 115.700 -0.116 0.000 2.399 470 S HA -0.289 4.181 4.470 -0.000 0.000 0.231 470 S C 2.088 176.654 174.600 -0.057 0.000 1.022 470 S CA 1.223 59.385 58.200 -0.063 0.000 0.983 470 S CB -0.926 62.274 63.200 0.001 0.000 0.803 470 S HN 0.748 nan 8.310 nan 0.000 0.480 471 H N 2.087 121.063 119.070 -0.157 0.000 2.333 471 H HA 0.036 4.592 4.556 -0.000 0.000 0.302 471 H C 2.091 177.330 175.328 -0.148 0.000 1.075 471 H CA 2.122 58.105 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 -1.101 118.541 119.914 -0.453 0.000 2.667 472 V HA -0.080 4.040 4.120 -0.000 0.000 0.252 472 V C 2.335 178.264 176.094 -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 0.909 121.331 120.570 -0.247 0.000 2.353 473 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 473 I C 2.860 178.877 176.117 -0.166 0.000 1.119 473 I CA 1.774 62.971 61.300 -0.173 0.000 1.417 473 I CB -0.295 37.624 38.000 -0.135 0.000 1.078 473 I HN 0.427 nan 8.210 nan 0.000 0.421 474 S N -0.072 115.515 115.700 -0.188 0.000 2.345 474 S HA -0.217 4.253 4.470 -0.000 0.000 0.219 474 S C 1.969 176.427 174.600 -0.236 0.000 1.031 474 S CA 1.516 59.614 58.200 -0.170 0.000 0.984 474 S CB -0.006 63.123 63.200 -0.118 0.000 0.874 474 S HN 0.447 nan 8.310 nan 0.000 0.451 475 Q N -1.474 118.088 119.800 -0.395 0.000 2.350 475 Q HA 0.157 4.497 4.340 -0.000 0.000 0.225 475 Q C -0.181 175.408 176.000 -0.686 0.000 0.878 475 Q CA 0.191 55.666 55.803 -0.547 0.000 0.935 475 Q CB 0.421 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 -0.276 118.629 119.070 -0.276 0.000 2.534 476 H HA 0.208 4.764 4.556 -0.000 0.000 0.250 476 H C 0.601 175.824 175.328 -0.174 0.000 1.256 476 H CA -0.318 55.603 56.048 -0.211 0.000 1.000 476 H CB 0.803 30.422 29.762 -0.238 0.000 1.801 476 H HN 0.065 nan 8.280 nan 0.000 0.569 477 Q N 0.582 120.326 119.800 -0.093 0.000 2.226 477 Q HA -0.063 4.277 4.340 -0.000 0.000 0.204 477 Q C 2.210 178.178 176.000 -0.055 0.000 0.975 477 Q CA 1.076 56.831 55.803 -0.079 0.000 0.866 477 Q CB 0.095 28.782 28.738 -0.086 0.000 0.915 477 Q HN 0.655 nan 8.270 nan 0.000 0.440 478 A N 0.570 123.365 122.820 -0.043 0.000 1.930 478 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 478 A C 2.112 179.681 177.584 -0.024 0.000 1.175 478 A CA 0.824 52.844 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 -0.657 120.556 121.223 -0.016 0.000 2.044 479 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 479 L C 2.507 179.341 176.870 -0.060 0.000 1.075 479 L CA 1.066 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 -0.683 120.500 121.223 -0.066 0.000 2.012 480 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 480 L C 2.589 179.428 176.870 -0.052 0.000 1.073 480 L CA 1.454 56.251 54.840 -0.071 0.000 0.748 480 L CB -1.234 40.775 42.059 -0.085 0.000 0.891 480 L HN 0.359 nan 8.230 nan 0.000 0.431 481 G N -0.319 108.453 108.800 -0.047 0.000 2.432 481 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 481 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 481 G C 1.681 176.564 174.900 -0.028 0.000 1.135 481 G CA 0.739 45.818 45.100 -0.036 0.000 0.767 481 G HN 0.174 nan 8.290 nan 0.000 0.550 482 K N 0.307 120.689 120.400 -0.030 0.000 2.103 482 K HA 0.176 4.496 4.320 -0.000 0.000 0.204 482 K C 2.342 178.927 176.600 -0.025 0.000 1.052 482 K CA 0.566 56.838 56.287 -0.025 0.000 0.945 482 K CB -0.316 32.168 32.500 -0.027 0.000 0.722 482 K HN 0.378 nan 8.250 nan 0.000 0.443 483 I N -0.103 120.447 120.570 -0.033 0.000 2.315 483 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 483 I C 2.499 178.607 176.117 -0.015 0.000 1.117 483 I CA 0.941 62.224 61.300 -0.028 0.000 1.404 483 I CB -0.179 37.797 38.000 -0.040 0.000 1.071 483 I HN 0.147 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 4.214 4.340 -0.000 0.000 0.232 484 R C 2.225 178.528 176.300 0.004 0.000 1.126 484 R CA 1.881 57.980 56.100 -0.001 0.000 0.963 484 R CB -0.144 30.154 30.300 -0.004 0.000 0.858 484 R HN 0.241 nan 8.270 nan 0.000 0.435 485 T N 0.742 115.294 114.554 -0.004 0.000 2.732 485 T HA -0.071 4.279 4.350 -0.000 0.000 0.261 485 T C 1.036 175.734 174.700 -0.003 0.000 1.040 485 T CA 1.504 63.603 62.100 -0.002 0.000 1.145 485 T CB -0.286 68.579 68.868 -0.006 0.000 0.866 485 T HN 0.288 nan 8.240 nan 0.000 0.427 486 D N 0.545 120.941 120.400 -0.006 0.000 2.178 486 D HA 0.101 4.741 4.640 -0.000 0.000 0.202 486 D C 1.723 178.020 176.300 -0.005 0.000 0.974 486 D CA 1.241 55.238 54.000 -0.006 0.000 0.841 486 D CB -0.579 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 0.479 109.276 108.800 -0.004 0.000 2.155 487 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.257 487 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.257 487 G C 0.196 175.095 174.900 -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 -1.339 119.060 120.400 -0.002 0.000 2.548 488 K HA 0.770 5.090 4.320 -0.000 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 1.317 33.819 32.500 0.004 0.000 1.499 488 K HN 0.102 nan 8.250 nan 0.000 0.433 489 I N 2.927 123.501 120.570 0.007 0.000 2.287 489 I HA 0.118 4.288 4.170 -0.000 0.000 0.290 489 I C 0.272 176.393 176.117 0.007 0.000 1.069 489 I CA -0.546 60.753 61.300 -0.002 0.000 1.237 489 I CB 1.266 39.274 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 4.616 4.470 -0.000 0.000 0.257 490 S C 0.946 175.551 174.600 0.008 0.000 1.327 490 S CA -0.457 57.745 58.200 0.003 0.000 0.984 490 S CB 0.972 64.171 63.200 -0.003 0.000 0.941 490 S HN 0.647 nan 8.310 nan 0.000 0.576 491 E N 0.198 120.406 120.200 0.013 0.000 2.204 491 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 491 E C 1.937 178.546 176.600 0.015 0.000 0.989 491 E CA 1.166 57.578 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 0.324 120.527 120.200 0.004 0.000 2.072 492 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 492 E C 1.946 178.536 176.600 -0.016 0.000 0.982 492 E CA 0.978 57.377 56.400 -0.001 0.000 0.803 492 E CB 0.151 29.850 29.700 -0.002 0.000 0.755 492 E HN -0.002 nan 8.360 nan 0.000 0.453 493 S N 0.668 116.350 115.700 -0.029 0.000 2.382 493 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 493 S C 1.528 176.072 174.600 -0.094 0.000 1.027 493 S CA 1.434 59.595 58.200 -0.064 0.000 0.991 493 S CB -0.309 62.851 63.200 -0.067 0.000 0.823 493 S HN 0.387 nan 8.310 nan 0.000 0.469 494 D N 1.335 121.710 120.400 -0.041 0.000 2.144 494 D HA 0.003 4.643 4.640 -0.000 0.000 0.200 494 D C 1.926 178.247 176.300 0.034 0.000 0.978 494 D CA 1.182 55.184 54.000 0.004 0.000 0.833 494 D CB -0.252 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 0.299 123.134 122.820 0.024 0.000 1.898 495 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 495 A C 2.129 179.717 177.584 0.007 0.000 1.181 495 A CA 1.312 53.370 52.037 0.034 0.000 0.620 495 A CB -0.386 18.632 19.000 0.029 0.000 0.819 495 A HN 0.171 nan 8.150 nan 0.000 0.442 496 K N -0.392 119.988 120.400 -0.032 0.000 2.026 496 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 496 K C 1.885 178.414 176.600 -0.119 0.000 1.048 496 K CA 1.362 57.610 56.287 -0.064 0.000 0.929 496 K CB -0.408 32.046 32.500 -0.075 0.000 0.713 496 K HN 0.420 nan 8.250 nan 0.000 0.439 497 L N 1.355 122.469 121.223 -0.181 0.000 2.012 497 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 497 L C 2.633 179.443 176.870 -0.101 0.000 1.073 497 L CA 1.427 56.106 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 0.118 120.541 120.400 0.037 0.000 2.032 498 K HA -0.276 4.044 4.320 -0.000 0.000 0.209 498 K C 2.108 178.731 176.600 0.038 0.000 1.048 498 K CA 1.873 58.242 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 0.388 120.604 120.200 0.027 0.000 2.077 499 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 499 E C 2.003 178.619 176.600 0.027 0.000 0.989 499 E CA 1.252 57.672 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 0.733 121.297 120.570 -0.011 0.000 2.163 500 I HA -0.238 3.932 4.170 -0.000 0.000 0.240 500 I C 2.579 178.745 176.117 0.082 0.000 1.081 500 I CA 1.104 62.426 61.300 0.036 0.000 1.353 500 I CB -0.288 37.663 38.000 -0.082 0.000 1.054 500 I HN 0.122 nan 8.210 nan 0.000 0.407 501 V N -1.318 118.550 119.914 -0.077 0.000 2.515 501 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 501 V C 2.530 178.520 176.094 -0.174 0.000 1.058 501 V CA 1.985 64.127 62.300 -0.264 0.000 1.064 501 V CB -1.927 29.452 31.823 -0.739 0.000 0.675 501 V HN 0.573 nan 8.190 nan 0.000 0.461 502 T N -0.678 113.793 114.554 -0.138 0.000 2.674 502 T HA -0.216 4.134 4.350 -0.000 0.000 0.265 502 T C 1.875 176.644 174.700 0.115 0.000 1.039 502 T CA 1.887 64.025 62.100 0.063 0.000 1.150 502 T CB -0.836 68.105 68.868 0.123 0.000 0.864 502 T HN 0.495 nan 8.240 nan 0.000 0.427 503 N N 0.611 119.375 118.700 0.108 0.000 2.188 503 N HA 0.021 4.761 4.740 -0.000 0.000 0.184 503 N C 1.563 177.148 175.510 0.124 0.000 1.018 503 N CA 0.951 54.066 53.050 0.108 0.000 0.858 503 N CB -0.482 38.064 38.487 0.099 0.000 0.989 503 N HN 0.469 nan 8.380 nan 0.000 0.426 504 F N 1.934 121.891 119.950 0.012 0.000 2.146 504 F HA -0.052 4.475 4.527 -0.000 0.000 0.298 504 F C 2.231 178.075 175.800 0.073 0.000 1.096 504 F CA 0.818 58.811 58.000 -0.012 0.000 1.275 504 F CB -0.133 38.842 39.000 -0.042 0.000 1.008 504 F HN -0.048 nan 8.300 nan 0.000 0.480 505 L N 0.215 121.662 121.223 0.373 0.000 2.093 505 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 505 L C 2.447 179.464 176.870 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 40.978 42.059 0.351 0.000 0.904 505 L HN 0.295 nan 8.230 nan 0.000 0.435 506 A N -0.343 122.569 122.820 0.154 0.000 1.972 506 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 506 A C 2.268 179.880 177.584 0.046 0.000 1.169 506 A CA 1.534 53.628 52.037 0.095 0.000 0.635 506 A CB -0.974 18.070 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 3.891 3.960 -0.000 0.000 0.215 507 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.215 507 G C 1.389 176.245 174.900 -0.073 0.000 1.156 507 G CA 0.854 45.906 45.100 -0.079 0.000 0.793 507 G HN 0.446 nan 8.290 nan 0.000 0.535 508 F N 1.410 121.244 119.950 -0.193 0.000 2.186 508 F HA 0.098 4.625 4.527 0.000 0.000 0.299 508 F C 2.602 178.399 175.800 -0.004 0.000 1.090 508 F CA 1.430 59.360 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 0.376 120.665 120.200 0.149 0.000 2.150 509 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 509 E C 1.163 177.746 176.600 -0.029 0.000 0.985 509 E CA 0.431 56.877 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 4.320 4.320 -0.000 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