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 1tyt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSRAYDLVVI GAGSGGLEAG WNAASLHKKR VAVIDLQKHH GPPHYAALGG DATA SEQUENCE TcVNVGcVPK KLMVTGANYM DTIRESAGFG WELDRESVRP NWKALIAAKN DATA SEQUENCE KAVSGINDSY EGMFADTEGL TFHQGFGALQ DNHTVLVRES ADPNSAVLET DATA SEQUENCE LDTEYILLAT GSWPQHLGIE GDDLCITSNE AFYLDEAPKR ALCVGGGYIS DATA SEQUENCE IEFAGIFNAY KARGGQVDLA YRGDMILRGF DSELRKQLTE QLRANGINVR DATA SEQUENCE THENPAKVTK NADGTRHVVF ESGAEADYDV VMLAIGRVPR SQTLQLDKAG DATA SEQUENCE VEVAKNGAIK VDAYSKTNVD NIYAIGDVTD RVMLTPVAIN EGAAFVDTVF DATA SEQUENCE ANKPRATDHT KVACAVFSIP PMGVCGYVEE DAAKKYDQVA VYESSFTPLM DATA SEQUENCE HNISGSTYKK FMVRIVTNHA DGEVLGVHML GDSSPEIIQS VAICLKMGAK DATA SEQUENCE ISDFYNTIGV HPTSAEELCS MRTPAYFYQK GKRVEKI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.275 176.300 -0.042 0.000 1.140 1 M CA 0.000 55.270 55.300 -0.049 0.000 0.988 1 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 2 S N -0.290 115.387 115.700 -0.038 0.000 2.605 2 S HA 0.313 4.783 4.470 -0.000 0.000 0.217 2 S C -0.287 174.281 174.600 -0.055 0.000 0.958 2 S CA 0.497 58.671 58.200 -0.044 0.000 0.919 2 S CB -0.101 63.076 63.200 -0.038 0.000 0.780 2 S HN 0.354 nan 8.310 nan 0.000 0.507 3 R N -0.720 119.755 120.500 -0.041 0.000 3.072 3 R HA 0.323 4.663 4.340 -0.000 0.000 0.293 3 R C 0.463 176.750 176.300 -0.022 0.000 1.210 3 R CA 0.307 56.392 56.100 -0.025 0.000 1.121 3 R CB -0.150 30.142 30.300 -0.015 0.000 1.286 3 R HN 0.034 nan 8.270 nan 0.000 0.393 4 A N 3.032 125.826 122.820 -0.045 0.000 1.927 4 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 4 A C -0.003 177.397 177.584 -0.307 0.000 1.185 4 A CA 1.615 53.540 52.037 -0.186 0.000 0.639 4 A CB -0.292 18.580 19.000 -0.214 0.000 0.820 4 A HN 0.534 nan 8.150 nan 0.000 0.451 5 Y N -2.456 117.869 120.300 0.041 0.000 2.570 5 Y HA 0.382 4.932 4.550 -0.000 0.000 0.345 5 Y C 0.663 176.618 175.900 0.091 0.000 1.014 5 Y CA -0.986 57.147 58.100 0.054 0.000 1.063 5 Y CB 1.345 39.831 38.460 0.042 0.000 1.272 5 Y HN 0.035 nan 8.280 nan 0.000 0.477 6 D N 0.634 121.205 120.400 0.284 0.000 2.162 6 D HA 0.027 4.667 4.640 -0.000 0.000 0.203 6 D C -0.429 176.116 176.300 0.408 0.000 0.967 6 D CA 1.366 55.545 54.000 0.297 0.000 0.840 6 D CB 0.543 41.461 40.800 0.196 0.000 0.972 6 D HN 0.281 nan 8.370 nan 0.000 0.482 7 L N 0.051 121.468 121.223 0.323 0.000 2.513 7 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 7 L C -1.756 175.199 176.870 0.142 0.000 0.945 7 L CA -0.623 54.413 54.840 0.327 0.000 0.848 7 L CB 2.430 44.726 42.059 0.394 0.000 1.334 7 L HN -0.353 nan 8.230 nan 0.000 0.407 8 V N 5.151 125.116 119.914 0.085 0.000 2.409 8 V HA 0.563 4.683 4.120 -0.000 0.000 0.291 8 V C -0.500 175.586 176.094 -0.013 0.000 1.020 8 V CA -0.621 61.638 62.300 -0.070 0.000 0.848 8 V CB 1.903 33.654 31.823 -0.119 0.000 0.990 8 V HN 0.553 nan 8.190 nan 0.000 0.430 9 V N 6.627 126.524 119.914 -0.028 0.000 2.407 9 V HA 0.458 4.578 4.120 -0.000 0.000 0.278 9 V C 0.033 176.099 176.094 -0.045 0.000 1.037 9 V CA -0.404 61.888 62.300 -0.014 0.000 0.900 9 V CB 1.579 33.416 31.823 0.024 0.000 0.983 9 V HN 0.654 nan 8.190 nan 0.000 0.459 10 I N 4.635 125.176 120.570 -0.048 0.000 2.291 10 I HA 0.683 4.853 4.170 -0.000 0.000 0.290 10 I C 0.709 176.800 176.117 -0.043 0.000 1.050 10 I CA -0.005 61.259 61.300 -0.061 0.000 1.245 10 I CB 1.040 39.006 38.000 -0.057 0.000 1.405 10 I HN 0.884 nan 8.210 nan 0.000 0.478 11 G N 4.559 113.336 108.800 -0.038 0.000 3.393 11 G HA2 0.145 4.105 3.960 -0.000 0.000 0.676 11 G HA3 0.145 4.105 3.960 -0.000 0.000 0.676 11 G C -0.417 174.499 174.900 0.026 0.000 1.224 11 G CA -0.404 44.690 45.100 -0.010 0.000 1.109 11 G HN 0.864 nan 8.290 nan 0.000 0.519 12 A N 1.655 124.508 122.820 0.056 0.000 3.282 12 A HA 0.790 5.110 4.320 -0.000 0.000 0.287 12 A C 1.291 178.875 177.584 0.001 0.000 1.366 12 A CA 1.052 53.140 52.037 0.085 0.000 1.069 12 A CB -0.195 18.927 19.000 0.204 0.000 1.109 12 A HN 1.942 nan 8.150 nan 0.000 0.638 13 G N -0.659 108.143 108.800 0.004 0.000 2.782 13 G HA2 0.392 4.351 3.960 -0.000 0.000 0.201 13 G HA3 0.392 4.351 3.960 -0.000 0.000 0.201 13 G C 1.087 175.981 174.900 -0.010 0.000 1.374 13 G CA 0.541 45.639 45.100 -0.003 0.000 1.039 13 G HN 0.255 nan 8.290 nan 0.000 0.576 14 S N -0.195 115.516 115.700 0.018 0.000 2.353 14 S HA -0.127 4.342 4.470 -0.000 0.000 0.222 14 S C 2.409 177.030 174.600 0.036 0.000 1.035 14 S CA 1.805 60.022 58.200 0.028 0.000 1.025 14 S CB -0.718 62.510 63.200 0.046 0.000 0.902 14 S HN 0.761 nan 8.310 nan 0.000 0.440 15 G N 0.847 109.673 108.800 0.043 0.000 2.396 15 G HA2 0.102 4.062 3.960 -0.000 0.000 0.214 15 G HA3 0.102 4.062 3.960 -0.000 0.000 0.214 15 G C 1.469 176.397 174.900 0.048 0.000 1.166 15 G CA 0.728 45.858 45.100 0.050 0.000 0.793 15 G HN 0.561 nan 8.290 nan 0.000 0.533 16 G N 0.800 109.619 108.800 0.031 0.000 2.440 16 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.218 16 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.218 16 G C 1.689 176.624 174.900 0.058 0.000 1.154 16 G CA 0.980 46.099 45.100 0.031 0.000 0.767 16 G HN 0.327 nan 8.290 nan 0.000 0.552 17 L N 0.344 121.592 121.223 0.041 0.000 2.131 17 L HA 0.174 4.514 4.340 -0.000 0.000 0.206 17 L C 2.586 179.513 176.870 0.094 0.000 1.087 17 L CA 1.658 56.520 54.840 0.036 0.000 0.767 17 L CB -0.487 41.521 42.059 -0.085 0.000 0.917 17 L HN 0.301 nan 8.230 nan 0.000 0.441 18 E N -0.259 120.000 120.200 0.099 0.000 2.058 18 E HA -0.201 4.149 4.350 -0.000 0.000 0.194 18 E C 2.173 178.896 176.600 0.204 0.000 0.997 18 E CA 1.631 58.122 56.400 0.151 0.000 0.801 18 E CB -0.203 29.569 29.700 0.120 0.000 0.746 18 E HN 0.420 nan 8.360 nan 0.000 0.450 19 A N 0.160 123.089 122.820 0.181 0.000 1.858 19 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 19 A C 2.508 180.216 177.584 0.207 0.000 1.190 19 A CA 1.882 54.065 52.037 0.243 0.000 0.617 19 A CB -1.452 17.676 19.000 0.213 0.000 0.827 19 A HN 0.426 nan 8.150 nan 0.000 0.443 20 G N -1.705 107.185 108.800 0.150 0.000 2.459 20 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 20 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 20 G C 1.461 176.386 174.900 0.043 0.000 1.183 20 G CA 1.171 46.326 45.100 0.093 0.000 0.776 20 G HN 0.678 nan 8.290 nan 0.000 0.552 21 W N 1.856 123.109 121.300 -0.077 0.000 2.409 21 W HA 0.007 4.667 4.660 -0.000 0.000 0.299 21 W C 2.381 178.849 176.519 -0.084 0.000 1.203 21 W CA 1.255 58.532 57.345 -0.114 0.000 1.298 21 W CB -0.008 29.386 29.460 -0.110 0.000 1.127 21 W HN 0.106 nan 8.180 nan 0.000 0.528 22 N N 0.614 119.341 118.700 0.045 0.000 2.120 22 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 22 N C 1.788 177.137 175.510 -0.268 0.000 1.024 22 N CA 2.116 55.072 53.050 -0.157 0.000 0.852 22 N CB -1.257 37.276 38.487 0.078 0.000 1.003 22 N HN 0.244 nan 8.380 nan 0.000 0.424 23 A N 0.917 123.653 122.820 -0.141 0.000 1.908 23 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 23 A C 2.347 179.718 177.584 -0.354 0.000 1.181 23 A CA 2.082 53.955 52.037 -0.274 0.000 0.627 23 A CB -0.762 17.983 19.000 -0.425 0.000 0.818 23 A HN 0.344 nan 8.150 nan 0.000 0.445 24 A N -1.220 121.387 122.820 -0.355 0.000 1.855 24 A HA -0.005 4.314 4.320 -0.000 0.000 0.213 24 A C 2.508 179.818 177.584 -0.457 0.000 1.195 24 A CA 1.989 53.815 52.037 -0.351 0.000 0.610 24 A CB -1.061 17.757 19.000 -0.302 0.000 0.837 24 A HN 0.553 nan 8.150 nan 0.000 0.444 25 S N -0.421 114.821 115.700 -0.762 0.000 2.348 25 S HA -0.073 4.397 4.470 -0.000 0.000 0.221 25 S C 1.872 176.105 174.600 -0.612 0.000 1.033 25 S CA 1.626 59.310 58.200 -0.860 0.000 1.010 25 S CB -0.445 61.673 63.200 -1.804 0.000 0.891 25 S HN 0.430 nan 8.310 nan 0.000 0.442 26 L N -0.415 120.406 121.223 -0.671 0.000 2.375 26 L HA 0.168 4.508 4.340 -0.000 0.000 0.215 26 L C 1.713 178.182 176.870 -0.668 0.000 1.108 26 L CA 0.693 55.143 54.840 -0.650 0.000 0.830 26 L CB -0.301 41.258 42.059 -0.833 0.000 0.959 26 L HN 0.372 nan 8.230 nan 0.000 0.457 27 H N -0.506 118.424 119.070 -0.235 0.000 2.893 27 H HA 0.186 4.742 4.556 -0.000 0.000 0.270 27 H C 0.033 175.248 175.328 -0.188 0.000 1.095 27 H CA -0.316 55.619 56.048 -0.189 0.000 1.186 27 H CB 0.626 30.259 29.762 -0.214 0.000 1.562 27 H HN -0.040 nan 8.280 nan 0.000 0.536 28 K N 1.445 121.756 120.400 -0.148 0.000 3.257 28 K HA -0.160 4.160 4.320 -0.000 0.000 0.270 28 K C -0.348 176.186 176.600 -0.109 0.000 0.984 28 K CA 0.345 56.558 56.287 -0.122 0.000 0.739 28 K CB -0.901 31.553 32.500 -0.076 0.000 1.351 28 K HN 0.166 nan 8.250 nan 0.000 0.463 29 K N 0.596 120.894 120.400 -0.170 0.000 2.123 29 K HA 0.342 4.662 4.320 -0.000 0.000 0.248 29 K C 0.112 176.664 176.600 -0.081 0.000 0.969 29 K CA -0.915 55.274 56.287 -0.163 0.000 0.882 29 K CB 1.312 33.581 32.500 -0.384 0.000 1.080 29 K HN 0.205 nan 8.250 nan 0.000 0.441 30 R N 1.339 121.844 120.500 0.009 0.000 2.210 30 R HA 0.253 4.593 4.340 -0.000 0.000 0.338 30 R C -0.989 175.439 176.300 0.213 0.000 1.062 30 R CA -0.269 55.899 56.100 0.113 0.000 0.902 30 R CB 0.325 30.687 30.300 0.103 0.000 1.050 30 R HN 0.244 nan 8.270 nan 0.000 0.461 31 V N 3.748 123.757 119.914 0.158 0.000 2.448 31 V HA 0.578 4.698 4.120 -0.000 0.000 0.295 31 V C -0.342 175.801 176.094 0.080 0.000 1.025 31 V CA -0.893 61.465 62.300 0.095 0.000 0.859 31 V CB 1.713 33.544 31.823 0.013 0.000 0.988 31 V HN 0.889 nan 8.190 nan 0.000 0.431 32 A N 4.938 127.680 122.820 -0.130 0.000 2.258 32 A HA 0.784 5.104 4.320 -0.000 0.000 0.316 32 A C -0.610 176.915 177.584 -0.098 0.000 1.279 32 A CA -0.455 51.428 52.037 -0.257 0.000 0.876 32 A CB 0.979 19.361 19.000 -1.031 0.000 1.170 32 A HN 0.656 nan 8.150 nan 0.000 0.520 33 V N 4.469 124.463 119.914 0.134 0.000 2.427 33 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 33 V C 0.015 176.068 176.094 -0.069 0.000 1.034 33 V CA -0.161 62.207 62.300 0.114 0.000 0.893 33 V CB 1.180 33.222 31.823 0.365 0.000 0.982 33 V HN 0.746 nan 8.190 nan 0.000 0.452 34 I N 4.497 124.966 120.570 -0.168 0.000 2.392 34 I HA 0.536 4.706 4.170 -0.000 0.000 0.295 34 I C -0.230 175.731 176.117 -0.261 0.000 0.985 34 I CA 0.056 61.175 61.300 -0.302 0.000 1.221 34 I CB 1.470 39.335 38.000 -0.225 0.000 1.366 34 I HN 0.592 nan 8.210 nan 0.000 0.467 35 D N 3.879 124.054 120.400 -0.374 0.000 2.599 35 D HA 0.330 4.969 4.640 -0.000 0.000 0.252 35 D C 0.414 176.603 176.300 -0.185 0.000 1.232 35 D CA -0.518 53.398 54.000 -0.140 0.000 0.819 35 D CB 2.279 43.181 40.800 0.170 0.000 1.401 35 D HN 0.305 nan 8.370 nan 0.000 0.429 36 L N 0.124 121.192 121.223 -0.258 0.000 2.291 36 L HA 0.060 4.400 4.340 -0.000 0.000 0.214 36 L C 1.059 177.840 176.870 -0.150 0.000 1.120 36 L CA 0.900 55.479 54.840 -0.435 0.000 0.799 36 L CB -0.028 41.552 42.059 -0.799 0.000 0.925 36 L HN 0.339 nan 8.230 nan 0.000 0.446 37 Q N -1.046 118.786 119.800 0.053 0.000 2.527 37 Q HA 0.168 4.508 4.340 -0.000 0.000 0.280 37 Q C -0.568 175.490 176.000 0.096 0.000 0.977 37 Q CA -0.547 55.323 55.803 0.112 0.000 0.837 37 Q CB 1.891 30.698 28.738 0.115 0.000 1.454 37 Q HN -0.118 nan 8.270 nan 0.000 0.387 38 K N 0.507 120.917 120.400 0.015 0.000 2.379 38 K HA 0.186 4.505 4.320 -0.000 0.000 0.194 38 K C -0.217 176.211 176.600 -0.286 0.000 1.031 38 K CA 0.417 56.572 56.287 -0.221 0.000 1.037 38 K CB 0.477 32.857 32.500 -0.199 0.000 0.824 38 K HN 0.402 nan 8.250 nan 0.000 0.516 39 H N -0.619 118.426 119.070 -0.042 0.000 2.961 39 H HA 0.079 4.634 4.556 -0.000 0.000 0.371 39 H C -0.625 174.708 175.328 0.008 0.000 1.190 39 H CA -0.910 55.129 56.048 -0.016 0.000 1.138 39 H CB 1.461 31.167 29.762 -0.093 0.000 1.816 39 H HN 0.207 nan 8.280 nan 0.000 0.551 40 H N 0.194 119.364 119.070 0.167 0.000 2.830 40 H HA 0.401 4.957 4.556 -0.000 0.000 0.382 40 H C 0.808 176.198 175.328 0.104 0.000 1.423 40 H CA 0.348 56.491 56.048 0.159 0.000 1.464 40 H CB 0.301 30.184 29.762 0.201 0.000 1.495 40 H HN 0.940 nan 8.280 nan 0.000 0.617 41 G N -0.770 108.157 108.800 0.211 0.000 2.655 41 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.680 41 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.680 41 G C -2.997 171.553 174.900 -0.584 0.000 1.302 41 G CA -0.751 44.146 45.100 -0.338 0.000 0.872 41 G HN 0.787 nan 8.290 nan 0.000 0.540 42 P HA 0.251 nan 4.420 nan 0.000 0.272 42 P C -1.426 175.561 177.300 -0.522 0.000 1.223 42 P CA -0.832 61.708 63.100 -0.934 0.000 0.784 42 P CB 0.595 31.927 31.700 -0.614 0.000 0.923 43 P HA -0.070 nan 4.420 nan 0.000 0.230 43 P C 0.841 177.751 177.300 -0.650 0.000 1.168 43 P CA 1.522 64.258 63.100 -0.607 0.000 0.793 43 P CB 0.117 31.489 31.700 -0.547 0.000 0.851 44 H N -2.230 116.731 119.070 -0.182 0.000 2.525 44 H HA 0.061 4.617 4.556 -0.000 0.000 0.275 44 H C 0.801 176.311 175.328 0.304 0.000 0.984 44 H CA 0.687 56.778 56.048 0.070 0.000 1.264 44 H CB -0.102 29.677 29.762 0.028 0.000 1.432 44 H HN 0.069 nan 8.280 nan 0.000 0.549 45 Y N -1.128 119.347 120.300 0.291 0.000 2.762 45 Y HA -0.369 4.181 4.550 -0.000 0.000 0.475 45 Y C 1.438 177.509 175.900 0.285 0.000 1.163 45 Y CA 0.427 58.696 58.100 0.282 0.000 2.761 45 Y CB -1.773 36.882 38.460 0.325 0.000 1.095 45 Y HN 0.289 nan 8.280 nan 0.000 0.592 46 A N 1.642 124.748 122.820 0.476 0.000 2.346 46 A HA 0.765 5.085 4.320 -0.000 0.000 0.252 46 A C 0.521 178.238 177.584 0.221 0.000 1.089 46 A CA 0.794 53.018 52.037 0.311 0.000 0.797 46 A CB 0.410 19.603 19.000 0.322 0.000 1.047 46 A HN 1.513 nan 8.150 nan 0.000 0.494 47 A N -0.331 122.576 122.820 0.146 0.000 2.483 47 A HA 0.577 4.897 4.320 -0.000 0.000 0.306 47 A C -0.493 177.115 177.584 0.040 0.000 1.137 47 A CA -0.720 51.370 52.037 0.089 0.000 0.626 47 A CB -0.215 18.834 19.000 0.082 0.000 1.352 47 A HN 1.123 nan 8.150 nan 0.000 0.508 48 L N 0.670 121.874 121.223 -0.031 0.000 2.693 48 L HA 0.199 4.538 4.340 -0.000 0.000 0.292 48 L C 1.547 178.347 176.870 -0.116 0.000 1.243 48 L CA 2.246 57.018 54.840 -0.114 0.000 0.903 48 L CB 0.220 42.093 42.059 -0.310 0.000 1.160 48 L HN 1.886 nan 8.230 nan 0.000 0.496 49 G N 1.836 110.472 108.800 -0.273 0.000 2.234 49 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.235 49 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.235 49 G C 0.656 175.509 174.900 -0.078 0.000 0.997 49 G CA -0.077 44.834 45.100 -0.315 0.000 0.623 49 G HN 1.728 nan 8.290 nan 0.000 0.514 50 G N -1.743 107.053 108.800 -0.007 0.000 2.698 50 G HA2 0.157 4.117 3.960 -0.000 0.000 0.225 50 G HA3 0.157 4.117 3.960 -0.000 0.000 0.225 50 G C 0.752 175.700 174.900 0.081 0.000 1.345 50 G CA 0.723 45.850 45.100 0.046 0.000 0.871 50 G HN 1.293 nan 8.290 nan 0.000 0.540 51 T N -0.545 114.071 114.554 0.104 0.000 2.708 51 T HA -0.194 4.156 4.350 -0.000 0.000 0.266 51 T C 2.496 177.234 174.700 0.064 0.000 1.037 51 T CA 2.573 64.741 62.100 0.113 0.000 1.146 51 T CB -0.634 68.317 68.868 0.137 0.000 0.865 51 T HN 1.161 nan 8.240 nan 0.000 0.435 52 c N 1.355 119.991 118.600 0.059 0.000 2.436 52 c HA -0.063 4.507 4.570 -0.000 0.000 0.277 52 c C 2.774 176.860 174.090 -0.006 0.000 1.241 52 c CA 0.630 56.980 56.329 0.036 0.000 1.721 52 c CB -1.276 41.264 42.510 0.049 0.000 2.043 52 c HN 0.384 nan 8.230 nan 0.000 0.472 53 V N 2.167 122.092 119.914 0.018 0.000 2.282 53 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 53 V C 2.312 178.372 176.094 -0.056 0.000 1.057 53 V CA 2.577 64.884 62.300 0.011 0.000 1.032 53 V CB -0.698 31.190 31.823 0.108 0.000 0.645 53 V HN 0.618 nan 8.190 nan 0.000 0.447 54 N N -0.130 118.550 118.700 -0.032 0.000 2.387 54 N HA 0.020 4.760 4.740 -0.000 0.000 0.176 54 N C 0.862 176.249 175.510 -0.206 0.000 1.022 54 N CA 1.564 54.582 53.050 -0.053 0.000 0.883 54 N CB 0.933 39.488 38.487 0.113 0.000 1.019 54 N HN 0.548 nan 8.380 nan 0.000 0.435 55 V N -2.796 116.985 119.914 -0.222 0.000 3.028 55 V HA 0.727 4.847 4.120 -0.000 0.000 0.418 55 V C 0.233 176.204 176.094 -0.205 0.000 1.433 55 V CA -0.456 61.566 62.300 -0.464 0.000 1.543 55 V CB 0.582 32.442 31.823 0.062 0.000 1.329 55 V HN 0.172 nan 8.190 nan 0.000 0.646 56 G N -0.499 108.169 108.800 -0.220 0.000 2.894 56 G HA2 0.288 4.248 3.960 -0.000 0.000 0.164 56 G HA3 0.288 4.248 3.960 -0.000 0.000 0.164 56 G C 0.768 175.684 174.900 0.027 0.000 1.180 56 G CA 0.588 45.716 45.100 0.047 0.000 0.997 56 G HN 0.258 nan 8.290 nan 0.000 0.572 57 c N -0.089 118.539 118.600 0.045 0.000 2.326 57 c HA -0.135 4.435 4.570 -0.000 0.000 0.269 57 c C 2.851 176.886 174.090 -0.091 0.000 1.140 57 c CA 1.244 57.572 56.329 -0.002 0.000 1.798 57 c CB -1.585 40.926 42.510 0.002 0.000 2.053 57 c HN 0.320 nan 8.230 nan 0.000 0.438 58 V N 2.770 122.621 119.914 -0.104 0.000 2.244 58 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 58 V C 0.359 176.349 176.094 -0.172 0.000 1.042 58 V CA 2.665 64.883 62.300 -0.137 0.000 1.006 58 V CB -1.955 29.800 31.823 -0.114 0.000 0.641 58 V HN 0.413 nan 8.190 nan 0.000 0.446 59 P HA -0.219 nan 4.420 nan 0.000 0.217 59 P C 1.599 178.857 177.300 -0.071 0.000 1.150 59 P CA 1.615 64.573 63.100 -0.236 0.000 0.832 59 P CB -0.180 31.208 31.700 -0.521 0.000 0.787 60 K N 1.378 121.793 120.400 0.024 0.000 2.097 60 K HA -0.146 4.173 4.320 -0.000 0.000 0.205 60 K C 2.049 178.548 176.600 -0.169 0.000 1.050 60 K CA 1.462 57.748 56.287 -0.001 0.000 0.938 60 K CB -0.491 32.026 32.500 0.028 0.000 0.718 60 K HN 0.022 nan 8.250 nan 0.000 0.442 61 K N 0.689 120.953 120.400 -0.225 0.000 2.097 61 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 61 K C 2.382 178.847 176.600 -0.225 0.000 1.050 61 K CA 0.935 57.020 56.287 -0.336 0.000 0.938 61 K CB -0.035 32.217 32.500 -0.413 0.000 0.718 61 K HN 0.144 nan 8.250 nan 0.000 0.442 62 L N 0.237 121.359 121.223 -0.169 0.000 2.056 62 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 62 L C 2.534 179.339 176.870 -0.108 0.000 1.078 62 L CA 1.185 55.951 54.840 -0.124 0.000 0.749 62 L CB -0.299 41.686 42.059 -0.123 0.000 0.901 62 L HN 0.235 nan 8.230 nan 0.000 0.433 63 M N -1.066 118.449 119.600 -0.141 0.000 2.159 63 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 63 M C 2.227 178.470 176.300 -0.095 0.000 1.063 63 M CA 1.279 56.482 55.300 -0.161 0.000 1.110 63 M CB -0.240 32.221 32.600 -0.231 0.000 1.374 63 M HN 0.059 nan 8.290 nan 0.000 0.411 64 V N -0.308 119.529 119.914 -0.129 0.000 2.379 64 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 64 V C 2.249 178.309 176.094 -0.057 0.000 1.044 64 V CA 2.073 64.320 62.300 -0.088 0.000 1.036 64 V CB -0.859 30.907 31.823 -0.095 0.000 0.664 64 V HN 0.485 nan 8.190 nan 0.000 0.453 65 T N 0.483 114.987 114.554 -0.082 0.000 2.665 65 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 65 T C 1.914 176.582 174.700 -0.053 0.000 1.035 65 T CA 1.745 63.786 62.100 -0.098 0.000 1.151 65 T CB -0.745 68.085 68.868 -0.063 0.000 0.862 65 T HN 0.617 nan 8.240 nan 0.000 0.438 66 G N 1.124 110.003 108.800 0.131 0.000 2.446 66 G HA2 -0.074 3.885 3.960 -0.000 0.000 0.217 66 G HA3 -0.074 3.885 3.960 -0.000 0.000 0.217 66 G C 1.855 176.966 174.900 0.351 0.000 1.168 66 G CA 0.934 46.262 45.100 0.380 0.000 0.771 66 G HN 0.601 nan 8.290 nan 0.000 0.551 67 A N 0.770 123.756 122.820 0.276 0.000 1.978 67 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 67 A C 2.186 179.764 177.584 -0.010 0.000 1.170 67 A CA 1.674 53.799 52.037 0.146 0.000 0.636 67 A CB -0.532 18.556 19.000 0.147 0.000 0.810 67 A HN 0.421 nan 8.150 nan 0.000 0.448 68 N N -1.433 117.203 118.700 -0.108 0.000 2.364 68 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 68 N C 1.072 176.433 175.510 -0.247 0.000 1.022 68 N CA 1.087 54.022 53.050 -0.192 0.000 0.883 68 N CB -0.186 38.143 38.487 -0.263 0.000 0.965 68 N HN 0.607 nan 8.380 nan 0.000 0.438 69 Y N 0.734 121.020 120.300 -0.023 0.000 2.497 69 Y HA -0.047 4.502 4.550 -0.000 0.000 0.292 69 Y C 2.362 178.230 175.900 -0.054 0.000 1.137 69 Y CA 0.521 58.596 58.100 -0.042 0.000 1.285 69 Y CB -0.344 38.086 38.460 -0.049 0.000 0.991 69 Y HN 0.111 nan 8.280 nan 0.000 0.556 70 M N -0.134 119.492 119.600 0.044 0.000 2.132 70 M HA -0.203 4.277 4.480 -0.000 0.000 0.263 70 M C 1.098 177.420 176.300 0.037 0.000 1.065 70 M CA 2.062 57.370 55.300 0.013 0.000 1.122 70 M CB 0.027 32.610 32.600 -0.028 0.000 1.365 70 M HN 0.043 nan 8.290 nan 0.000 0.411 71 D N -0.010 120.406 120.400 0.028 0.000 2.149 71 D HA -0.109 4.531 4.640 -0.000 0.000 0.201 71 D C 2.097 178.428 176.300 0.051 0.000 0.972 71 D CA 2.077 56.103 54.000 0.043 0.000 0.835 71 D CB -0.517 40.300 40.800 0.030 0.000 0.966 71 D HN 0.535 nan 8.370 nan 0.000 0.476 72 T N -0.969 113.607 114.554 0.035 0.000 2.857 72 T HA -0.026 4.324 4.350 -0.000 0.000 0.266 72 T C 2.225 176.966 174.700 0.069 0.000 1.048 72 T CA 0.461 62.589 62.100 0.046 0.000 1.139 72 T CB -0.439 68.434 68.868 0.010 0.000 0.874 72 T HN 0.107 nan 8.240 nan 0.000 0.455 73 I N 1.174 121.796 120.570 0.086 0.000 2.202 73 I HA -0.123 4.047 4.170 -0.000 0.000 0.242 73 I C 3.117 179.284 176.117 0.082 0.000 1.091 73 I CA 1.347 62.688 61.300 0.068 0.000 1.368 73 I CB -0.408 37.626 38.000 0.058 0.000 1.058 73 I HN 0.185 nan 8.210 nan 0.000 0.410 74 R N 1.230 121.779 120.500 0.081 0.000 2.119 74 R HA -0.262 4.077 4.340 -0.000 0.000 0.246 74 R C 2.011 178.384 176.300 0.122 0.000 1.146 74 R CA 2.139 58.294 56.100 0.091 0.000 0.962 74 R CB -0.198 30.151 30.300 0.081 0.000 0.863 74 R HN 0.408 nan 8.270 nan 0.000 0.442 75 E N -0.288 119.994 120.200 0.137 0.000 2.274 75 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 75 E C 1.866 178.641 176.600 0.292 0.000 0.996 75 E CA 1.182 57.702 56.400 0.201 0.000 0.840 75 E CB 0.160 29.981 29.700 0.201 0.000 0.772 75 E HN 0.501 nan 8.360 nan 0.000 0.491 76 S N 0.544 116.389 115.700 0.241 0.000 2.442 76 S HA -0.085 4.385 4.470 -0.000 0.000 0.236 76 S C 2.133 176.988 174.600 0.424 0.000 1.007 76 S CA 0.693 59.102 58.200 0.347 0.000 0.965 76 S CB -0.055 63.255 63.200 0.184 0.000 0.773 76 S HN 0.275 nan 8.310 nan 0.000 0.504 77 A N 1.886 124.870 122.820 0.273 0.000 1.972 77 A HA 0.208 4.528 4.320 -0.000 0.000 0.219 77 A C 2.315 179.984 177.584 0.143 0.000 1.169 77 A CA 1.413 53.568 52.037 0.197 0.000 0.635 77 A CB -1.525 17.552 19.000 0.129 0.000 0.810 77 A HN 0.634 nan 8.150 nan 0.000 0.446 78 G N -1.839 107.029 108.800 0.112 0.000 2.464 78 G HA2 0.018 3.977 3.960 -0.000 0.000 0.217 78 G HA3 0.018 3.977 3.960 -0.000 0.000 0.217 78 G C 0.946 175.704 174.900 -0.236 0.000 1.138 78 G CA 0.596 45.639 45.100 -0.095 0.000 0.793 78 G HN 0.459 nan 8.290 nan 0.000 0.539 79 F N 0.517 120.538 119.950 0.118 0.000 2.732 79 F HA 0.373 4.900 4.527 -0.000 0.000 0.303 79 F C 1.868 177.672 175.800 0.006 0.000 1.110 79 F CA 0.315 58.376 58.000 0.101 0.000 1.355 79 F CB 0.587 39.702 39.000 0.192 0.000 1.081 79 F HN 0.222 nan 8.300 nan 0.000 0.565 80 G N -1.263 107.590 108.800 0.088 0.000 2.163 80 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.213 80 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.213 80 G C -0.308 174.470 174.900 -0.203 0.000 0.991 80 G CA -0.813 44.230 45.100 -0.094 0.000 0.653 80 G HN 0.258 nan 8.290 nan 0.000 0.518 81 W N 2.411 123.766 121.300 0.092 0.000 2.416 81 W HA 0.589 5.249 4.660 -0.000 0.000 0.318 81 W C 0.553 177.103 176.519 0.051 0.000 1.150 81 W CA -0.536 56.849 57.345 0.066 0.000 1.392 81 W CB 0.493 29.995 29.460 0.070 0.000 1.311 81 W HN 0.159 nan 8.180 nan 0.000 0.436 82 E N 4.403 124.695 120.200 0.154 0.000 2.227 82 E HA 0.545 4.894 4.350 -0.000 0.000 0.282 82 E C -0.562 176.121 176.600 0.139 0.000 1.015 82 E CA -0.771 55.696 56.400 0.111 0.000 0.823 82 E CB 0.892 30.618 29.700 0.043 0.000 1.081 82 E HN 0.382 nan 8.360 nan 0.000 0.396 83 L N -0.713 120.578 121.223 0.114 0.000 2.622 83 L HA 0.424 4.764 4.340 -0.000 0.000 0.258 83 L C -0.808 176.102 176.870 0.068 0.000 0.996 83 L CA -1.290 53.607 54.840 0.096 0.000 0.858 83 L CB 1.198 43.321 42.059 0.107 0.000 1.449 83 L HN 0.150 nan 8.230 nan 0.000 0.411 84 D N 1.105 121.536 120.400 0.052 0.000 2.398 84 D HA 0.149 4.788 4.640 -0.000 0.000 0.250 84 D C 0.894 177.218 176.300 0.040 0.000 1.287 84 D CA -0.009 54.015 54.000 0.041 0.000 0.992 84 D CB 0.733 41.553 40.800 0.033 0.000 1.071 84 D HN 0.493 nan 8.370 nan 0.000 0.514 85 R N 2.445 122.970 120.500 0.042 0.000 2.200 85 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 85 R C 1.467 177.787 176.300 0.032 0.000 1.127 85 R CA 0.521 56.646 56.100 0.041 0.000 0.989 85 R CB -0.131 30.195 30.300 0.044 0.000 0.869 85 R HN 0.553 nan 8.270 nan 0.000 0.459 86 E N 0.847 121.064 120.200 0.029 0.000 2.274 86 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 86 E C 1.460 178.075 176.600 0.023 0.000 0.996 86 E CA 1.105 57.520 56.400 0.024 0.000 0.840 86 E CB 0.205 29.919 29.700 0.022 0.000 0.772 86 E HN 0.297 nan 8.360 nan 0.000 0.491 87 S N -0.454 115.260 115.700 0.024 0.000 2.489 87 S HA 0.023 4.492 4.470 -0.000 0.000 0.228 87 S C 1.072 175.685 174.600 0.021 0.000 0.995 87 S CA -0.092 58.121 58.200 0.022 0.000 0.934 87 S CB -0.245 62.968 63.200 0.022 0.000 0.771 87 S HN -0.041 nan 8.310 nan 0.000 0.522 88 V N 3.842 123.768 119.914 0.020 0.000 2.557 88 V HA 0.222 4.341 4.120 -0.000 0.000 0.301 88 V C 0.288 176.392 176.094 0.016 0.000 1.026 88 V CA 0.352 62.661 62.300 0.015 0.000 1.137 88 V CB -0.392 31.442 31.823 0.017 0.000 0.917 88 V HN 0.485 nan 8.190 nan 0.000 0.484 89 R N 4.026 124.536 120.500 0.017 0.000 2.626 89 R HA 0.527 4.867 4.340 -0.000 0.000 0.274 89 R C -2.854 173.467 176.300 0.035 0.000 1.031 89 R CA -1.633 54.485 56.100 0.030 0.000 0.898 89 R CB 1.388 31.715 30.300 0.045 0.000 1.222 89 R HN 0.491 nan 8.270 nan 0.000 0.455 90 P HA 0.331 nan 4.420 nan 0.000 0.281 90 P C -0.742 176.699 177.300 0.236 0.000 1.249 90 P CA -0.648 62.517 63.100 0.108 0.000 0.810 90 P CB 0.673 32.371 31.700 -0.003 0.000 1.008 91 N N 1.288 120.179 118.700 0.318 0.000 2.623 91 N HA 0.039 4.779 4.740 -0.000 0.000 0.256 91 N C 0.483 176.182 175.510 0.315 0.000 1.045 91 N CA -0.611 52.602 53.050 0.272 0.000 0.863 91 N CB 0.309 38.890 38.487 0.157 0.000 1.182 91 N HN 0.604 nan 8.380 nan 0.000 0.523 92 W N 4.332 125.725 121.300 0.154 0.000 2.338 92 W HA -0.151 4.509 4.660 -0.000 0.000 0.304 92 W C 0.796 177.307 176.519 -0.014 0.000 1.212 92 W CA 1.235 58.580 57.345 0.000 0.000 1.264 92 W CB 0.351 29.830 29.460 0.032 0.000 1.142 92 W HN 0.503 nan 8.180 nan 0.000 0.512 93 K N 0.027 120.536 120.400 0.182 0.000 2.097 93 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 93 K C 2.277 178.866 176.600 -0.017 0.000 1.049 93 K CA 1.406 57.736 56.287 0.072 0.000 0.933 93 K CB -0.512 32.062 32.500 0.124 0.000 0.717 93 K HN 0.089 nan 8.250 nan 0.000 0.442 94 A N 1.868 124.692 122.820 0.007 0.000 1.902 94 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 94 A C 2.116 179.645 177.584 -0.092 0.000 1.181 94 A CA 1.111 53.136 52.037 -0.019 0.000 0.623 94 A CB -0.616 18.396 19.000 0.021 0.000 0.818 94 A HN 0.204 nan 8.150 nan 0.000 0.443 95 L N -0.266 120.850 121.223 -0.178 0.000 1.970 95 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 95 L C 2.421 179.082 176.870 -0.348 0.000 1.071 95 L CA 1.597 56.253 54.840 -0.308 0.000 0.751 95 L CB -0.393 41.297 42.059 -0.615 0.000 0.889 95 L HN 0.321 nan 8.230 nan 0.000 0.432 96 I N 0.128 120.417 120.570 -0.470 0.000 2.335 96 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 96 I C 2.824 178.848 176.117 -0.156 0.000 1.129 96 I CA 1.555 62.647 61.300 -0.346 0.000 1.402 96 I CB -1.776 36.032 38.000 -0.320 0.000 1.069 96 I HN 0.267 nan 8.210 nan 0.000 0.424 97 A N 0.925 123.684 122.820 -0.102 0.000 1.873 97 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 97 A C 2.610 180.165 177.584 -0.048 0.000 1.186 97 A CA 1.955 53.969 52.037 -0.038 0.000 0.616 97 A CB -0.829 18.159 19.000 -0.020 0.000 0.823 97 A HN 0.396 nan 8.150 nan 0.000 0.442 98 A N -0.018 122.759 122.820 -0.072 0.000 1.902 98 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 98 A C 2.189 179.720 177.584 -0.088 0.000 1.181 98 A CA 2.080 54.076 52.037 -0.068 0.000 0.623 98 A CB -0.482 18.475 19.000 -0.071 0.000 0.818 98 A HN 0.453 nan 8.150 nan 0.000 0.443 99 K N 0.087 120.409 120.400 -0.130 0.000 2.032 99 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 99 K C 1.564 178.073 176.600 -0.153 0.000 1.048 99 K CA 1.999 58.190 56.287 -0.160 0.000 0.927 99 K CB -0.538 31.837 32.500 -0.208 0.000 0.712 99 K HN 0.406 nan 8.250 nan 0.000 0.441 100 N N 1.567 120.208 118.700 -0.098 0.000 2.149 100 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 100 N C 1.738 177.279 175.510 0.051 0.000 1.019 100 N CA 1.268 54.320 53.050 0.004 0.000 0.857 100 N CB -0.258 38.314 38.487 0.143 0.000 0.997 100 N HN 0.401 nan 8.380 nan 0.000 0.426 101 K N 1.032 121.442 120.400 0.017 0.000 2.155 101 K HA 0.067 4.387 4.320 -0.000 0.000 0.203 101 K C 1.772 178.366 176.600 -0.009 0.000 1.052 101 K CA 1.051 57.351 56.287 0.022 0.000 0.948 101 K CB -0.076 32.426 32.500 0.003 0.000 0.728 101 K HN 0.029 nan 8.250 nan 0.000 0.448 102 A N 1.385 124.173 122.820 -0.052 0.000 1.877 102 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 102 A C 2.359 179.893 177.584 -0.083 0.000 1.186 102 A CA 1.663 53.656 52.037 -0.073 0.000 0.620 102 A CB -0.691 18.251 19.000 -0.097 0.000 0.822 102 A HN 0.145 nan 8.150 nan 0.000 0.443 103 V N -0.026 119.807 119.914 -0.135 0.000 2.427 103 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 103 V C 2.652 178.736 176.094 -0.017 0.000 1.051 103 V CA 2.204 64.402 62.300 -0.170 0.000 1.048 103 V CB -0.571 30.993 31.823 -0.431 0.000 0.666 103 V HN 0.546 nan 8.190 nan 0.000 0.456 104 S N 0.509 116.277 115.700 0.114 0.000 2.481 104 S HA -0.052 4.418 4.470 -0.000 0.000 0.231 104 S C 2.014 176.686 174.600 0.120 0.000 0.996 104 S CA 0.969 59.324 58.200 0.259 0.000 0.942 104 S CB -0.291 63.093 63.200 0.307 0.000 0.768 104 S HN 0.693 nan 8.310 nan 0.000 0.520 105 G N 2.252 111.073 108.800 0.035 0.000 2.402 105 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 105 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 105 G C 1.260 176.119 174.900 -0.068 0.000 1.162 105 G CA 0.501 45.592 45.100 -0.015 0.000 0.777 105 G HN 0.414 nan 8.290 nan 0.000 0.539 106 I N 1.600 122.119 120.570 -0.085 0.000 2.202 106 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 106 I C 2.309 178.317 176.117 -0.181 0.000 1.091 106 I CA 1.080 62.273 61.300 -0.177 0.000 1.368 106 I CB -1.521 36.411 38.000 -0.113 0.000 1.058 106 I HN 0.269 nan 8.210 nan 0.000 0.410 107 N N 0.977 119.653 118.700 -0.041 0.000 2.094 107 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 107 N C 1.302 176.729 175.510 -0.139 0.000 1.023 107 N CA 1.451 54.458 53.050 -0.072 0.000 0.857 107 N CB -0.082 38.281 38.487 -0.207 0.000 1.013 107 N HN 0.370 nan 8.380 nan 0.000 0.426 108 D N 0.096 120.448 120.400 -0.080 0.000 2.219 108 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 108 D C 1.870 178.126 176.300 -0.072 0.000 0.970 108 D CA 0.738 54.713 54.000 -0.042 0.000 0.851 108 D CB -0.127 40.687 40.800 0.023 0.000 0.943 108 D HN 0.181 nan 8.370 nan 0.000 0.488 109 S N 0.233 115.839 115.700 -0.157 0.000 2.368 109 S HA -0.145 4.324 4.470 -0.000 0.000 0.224 109 S C 1.846 176.346 174.600 -0.166 0.000 1.029 109 S CA 0.572 58.648 58.200 -0.206 0.000 0.988 109 S CB -0.462 62.527 63.200 -0.353 0.000 0.838 109 S HN 0.265 nan 8.310 nan 0.000 0.462 110 Y N 2.268 122.556 120.300 -0.021 0.000 2.207 110 Y HA -0.099 4.451 4.550 -0.000 0.000 0.287 110 Y C 2.396 178.387 175.900 0.153 0.000 1.156 110 Y CA 0.558 58.694 58.100 0.059 0.000 1.182 110 Y CB -0.699 37.784 38.460 0.038 0.000 0.979 110 Y HN 0.372 nan 8.280 nan 0.000 0.521 111 E N -0.863 119.418 120.200 0.134 0.000 2.077 111 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 111 E C 2.559 179.255 176.600 0.159 0.000 0.989 111 E CA 0.930 57.363 56.400 0.055 0.000 0.800 111 E CB -0.522 29.144 29.700 -0.056 0.000 0.746 111 E HN 0.543 nan 8.360 nan 0.000 0.452 112 G N 1.318 110.182 108.800 0.107 0.000 2.432 112 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 112 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 112 G C 1.518 176.504 174.900 0.144 0.000 1.135 112 G CA 0.717 45.873 45.100 0.094 0.000 0.767 112 G HN 0.140 nan 8.290 nan 0.000 0.550 113 M N -0.578 119.133 119.600 0.185 0.000 2.080 113 M HA -0.037 4.443 4.480 -0.000 0.000 0.260 113 M C 2.203 178.618 176.300 0.193 0.000 1.068 113 M CA 1.595 56.996 55.300 0.167 0.000 1.109 113 M CB -0.186 32.503 32.600 0.148 0.000 1.342 113 M HN 0.225 nan 8.290 nan 0.000 0.405 114 F N 0.183 120.226 119.950 0.155 0.000 2.234 114 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 114 F C 2.588 178.456 175.800 0.113 0.000 1.087 114 F CA 1.228 59.319 58.000 0.152 0.000 1.340 114 F CB -1.014 38.069 39.000 0.139 0.000 1.031 114 F HN 0.235 nan 8.300 nan 0.000 0.500 115 A N 0.341 123.328 122.820 0.278 0.000 1.902 115 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 115 A C 0.743 178.404 177.584 0.129 0.000 1.181 115 A CA 1.872 54.010 52.037 0.168 0.000 0.623 115 A CB -1.042 18.029 19.000 0.119 0.000 0.818 115 A HN 0.467 nan 8.150 nan 0.000 0.443 116 D N -1.552 118.923 120.400 0.125 0.000 3.008 116 D HA 0.341 4.981 4.640 -0.000 0.000 0.312 116 D C -0.615 175.745 176.300 0.100 0.000 1.361 116 D CA -0.061 53.996 54.000 0.097 0.000 0.858 116 D CB 0.373 41.219 40.800 0.078 0.000 1.098 116 D HN -0.027 nan 8.370 nan 0.000 0.482 117 T N 0.863 115.472 114.554 0.091 0.000 3.009 117 T HA 0.139 4.489 4.350 -0.000 0.000 0.346 117 T C -0.333 174.369 174.700 0.003 0.000 1.092 117 T CA -0.922 61.198 62.100 0.033 0.000 1.080 117 T CB 0.786 69.674 68.868 0.035 0.000 1.037 117 T HN 0.305 nan 8.240 nan 0.000 0.487 118 E N 1.720 121.914 120.200 -0.010 0.000 2.452 118 E HA 0.324 4.673 4.350 -0.000 0.000 0.261 118 E C 1.196 177.785 176.600 -0.018 0.000 0.987 118 E CA 0.395 56.794 56.400 -0.001 0.000 0.926 118 E CB 0.214 29.907 29.700 -0.012 0.000 0.934 118 E HN 0.764 nan 8.360 nan 0.000 0.452 119 G N 2.852 111.667 108.800 0.025 0.000 2.253 119 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.251 119 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.251 119 G C 0.109 175.052 174.900 0.072 0.000 0.998 119 G CA 0.171 45.294 45.100 0.038 0.000 0.621 119 G HN 0.533 nan 8.290 nan 0.000 0.524 120 L N 2.634 123.889 121.223 0.052 0.000 2.281 120 L HA 0.595 4.935 4.340 -0.000 0.000 0.285 120 L C 0.706 177.743 176.870 0.279 0.000 1.074 120 L CA 0.404 55.290 54.840 0.077 0.000 0.817 120 L CB 1.133 43.138 42.059 -0.091 0.000 1.168 120 L HN 0.429 nan 8.230 nan 0.000 0.434 121 T N 0.770 115.570 114.554 0.410 0.000 2.900 121 T HA 0.401 4.751 4.350 -0.000 0.000 0.295 121 T C -0.706 174.360 174.700 0.611 0.000 1.044 121 T CA -0.645 61.757 62.100 0.504 0.000 0.995 121 T CB 1.760 70.837 68.868 0.349 0.000 1.072 121 T HN 0.243 nan 8.240 nan 0.000 0.473 122 F N 2.769 122.793 119.950 0.122 0.000 2.404 122 F HA 0.453 4.980 4.527 -0.000 0.000 0.345 122 F C 0.093 175.796 175.800 -0.161 0.000 1.110 122 F CA -0.651 57.238 58.000 -0.184 0.000 1.130 122 F CB 0.637 39.195 39.000 -0.736 0.000 1.129 122 F HN 0.650 nan 8.300 nan 0.000 0.500 123 H N 5.695 124.321 119.070 -0.740 0.000 2.589 123 H HA 0.194 4.750 4.556 -0.000 0.000 0.335 123 H C -0.880 173.974 175.328 -0.790 0.000 1.019 123 H CA -0.701 55.038 56.048 -0.515 0.000 1.213 123 H CB 1.887 31.455 29.762 -0.323 0.000 1.472 123 H HN 0.600 nan 8.280 nan 0.000 0.508 124 Q N 1.979 121.519 119.800 -0.435 0.000 2.230 124 Q HA 0.532 4.871 4.340 -0.000 0.000 0.253 124 Q C -0.225 175.688 176.000 -0.144 0.000 0.919 124 Q CA -0.520 55.097 55.803 -0.310 0.000 0.908 124 Q CB 1.627 30.363 28.738 -0.003 0.000 1.245 124 Q HN 1.006 nan 8.270 nan 0.000 0.437 125 G N 1.573 110.290 108.800 -0.138 0.000 2.369 125 G HA2 0.010 3.970 3.960 -0.000 0.000 0.295 125 G HA3 0.010 3.970 3.960 -0.000 0.000 0.295 125 G C -1.844 172.994 174.900 -0.105 0.000 1.298 125 G CA -1.061 44.022 45.100 -0.028 0.000 0.940 125 G HN 0.432 nan 8.290 nan 0.000 0.536 126 F N 1.926 121.810 119.950 -0.110 0.000 2.390 126 F HA 0.535 5.062 4.527 -0.000 0.000 0.361 126 F C 1.323 177.065 175.800 -0.096 0.000 1.124 126 F CA 0.599 58.531 58.000 -0.114 0.000 1.149 126 F CB 1.537 40.476 39.000 -0.101 0.000 1.160 126 F HN 0.670 nan 8.300 nan 0.000 0.501 127 G N 2.296 111.090 108.800 -0.010 0.000 2.403 127 G HA2 0.569 4.528 3.960 -0.000 0.000 0.259 127 G HA3 0.569 4.528 3.960 -0.000 0.000 0.259 127 G C -0.978 173.933 174.900 0.019 0.000 1.244 127 G CA -0.152 44.935 45.100 -0.020 0.000 0.849 127 G HN 0.892 nan 8.290 nan 0.000 0.532 128 A N 1.935 124.762 122.820 0.011 0.000 2.587 128 A HA 0.727 5.047 4.320 -0.000 0.000 0.293 128 A C -0.706 176.878 177.584 -0.000 0.000 1.087 128 A CA -0.695 51.350 52.037 0.013 0.000 0.692 128 A CB 1.205 20.216 19.000 0.019 0.000 1.291 128 A HN 0.681 nan 8.150 nan 0.000 0.407 129 L N 1.249 122.471 121.223 -0.001 0.000 2.325 129 L HA 0.420 4.759 4.340 -0.000 0.000 0.279 129 L C 1.225 178.096 176.870 0.001 0.000 1.054 129 L CA -0.264 54.574 54.840 -0.002 0.000 0.804 129 L CB 1.729 43.785 42.059 -0.006 0.000 1.200 129 L HN 1.107 nan 8.230 nan 0.000 0.436 130 Q N 0.996 120.799 119.800 0.006 0.000 2.388 130 Q HA 0.030 4.370 4.340 -0.000 0.000 0.204 130 Q C -0.709 175.298 176.000 0.011 0.000 0.946 130 Q CA 0.680 56.488 55.803 0.010 0.000 0.880 130 Q CB 0.774 29.521 28.738 0.016 0.000 0.997 130 Q HN 0.899 nan 8.270 nan 0.000 0.552 131 D N -1.604 118.805 120.400 0.015 0.000 2.626 131 D HA 0.037 4.677 4.640 -0.000 0.000 0.278 131 D C -0.143 176.151 176.300 -0.011 0.000 1.211 131 D CA -0.562 53.444 54.000 0.011 0.000 0.903 131 D CB -0.174 40.645 40.800 0.033 0.000 1.408 131 D HN 0.071 nan 8.370 nan 0.000 0.454 132 N N -0.412 118.256 118.700 -0.052 0.000 2.651 132 N HA -0.219 4.521 4.740 -0.000 0.000 0.193 132 N C 0.063 175.397 175.510 -0.293 0.000 1.149 132 N CA 1.169 54.123 53.050 -0.160 0.000 0.933 132 N CB -0.406 37.954 38.487 -0.212 0.000 0.974 132 N HN 0.473 nan 8.380 nan 0.000 0.448 133 H N -1.172 117.903 119.070 0.009 0.000 3.078 133 H HA 0.257 4.813 4.556 -0.000 0.000 0.263 133 H C -0.308 175.033 175.328 0.021 0.000 1.177 133 H CA -0.004 56.050 56.048 0.011 0.000 1.128 133 H CB 0.975 30.737 29.762 0.000 0.000 1.623 133 H HN 0.144 nan 8.280 nan 0.000 0.592 134 T N 1.144 115.760 114.554 0.105 0.000 2.881 134 T HA 0.410 4.760 4.350 -0.000 0.000 0.291 134 T C -0.129 174.590 174.700 0.033 0.000 0.990 134 T CA -0.540 61.603 62.100 0.071 0.000 0.976 134 T CB 2.632 71.535 68.868 0.059 0.000 0.970 134 T HN -0.190 nan 8.240 nan 0.000 0.438 135 V N 4.080 124.004 119.914 0.017 0.000 2.417 135 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 135 V C -0.391 175.692 176.094 -0.018 0.000 1.024 135 V CA -0.918 61.374 62.300 -0.013 0.000 0.861 135 V CB 1.418 33.211 31.823 -0.049 0.000 0.985 135 V HN 0.663 nan 8.190 nan 0.000 0.436 136 L N 5.383 126.600 121.223 -0.010 0.000 2.326 136 L HA 0.469 4.808 4.340 -0.000 0.000 0.278 136 L C -0.030 176.834 176.870 -0.011 0.000 1.092 136 L CA 0.223 55.060 54.840 -0.004 0.000 0.810 136 L CB 1.744 43.806 42.059 0.005 0.000 1.153 136 L HN 0.447 nan 8.230 nan 0.000 0.439 137 V N 5.117 125.027 119.914 -0.006 0.000 2.313 137 V HA 0.503 4.623 4.120 -0.000 0.000 0.278 137 V C 0.334 176.445 176.094 0.029 0.000 1.017 137 V CA -0.786 61.513 62.300 -0.002 0.000 0.823 137 V CB 0.877 32.690 31.823 -0.016 0.000 1.010 137 V HN 0.657 nan 8.190 nan 0.000 0.443 138 R N 2.316 122.852 120.500 0.061 0.000 2.674 138 R HA 0.408 4.747 4.340 -0.000 0.000 0.266 138 R C 0.932 177.285 176.300 0.088 0.000 1.016 138 R CA -0.701 55.431 56.100 0.055 0.000 1.062 138 R CB 1.790 32.106 30.300 0.026 0.000 1.142 138 R HN 0.711 nan 8.270 nan 0.000 0.517 139 E N 0.130 120.352 120.200 0.037 0.000 2.208 139 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 139 E C -0.402 176.206 176.600 0.013 0.000 0.988 139 E CA 0.739 57.168 56.400 0.048 0.000 0.828 139 E CB 0.427 30.136 29.700 0.014 0.000 0.763 139 E HN 0.417 nan 8.360 nan 0.000 0.478 140 S N -1.983 113.606 115.700 -0.186 0.000 2.671 140 S HA 0.489 4.959 4.470 -0.000 0.000 0.277 140 S C 0.199 174.151 174.600 -1.080 0.000 1.165 140 S CA -0.332 57.509 58.200 -0.599 0.000 0.822 140 S CB 1.442 64.427 63.200 -0.357 0.000 1.150 140 S HN 0.144 nan 8.310 nan 0.000 0.479 141 A N 0.307 122.183 122.820 -1.573 0.000 2.125 141 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 141 A C 0.679 178.027 177.584 -0.393 0.000 1.156 141 A CA 1.164 52.636 52.037 -0.940 0.000 0.671 141 A CB -0.650 17.995 19.000 -0.592 0.000 0.794 141 A HN 0.719 nan 8.150 nan 0.000 0.459 142 D N -0.056 120.149 120.400 -0.325 0.000 2.383 142 D HA 0.141 4.781 4.640 -0.000 0.000 0.252 142 D C -1.139 175.081 176.300 -0.133 0.000 1.166 142 D CA -2.027 51.867 54.000 -0.177 0.000 0.879 142 D CB 0.933 41.650 40.800 -0.140 0.000 1.164 142 D HN 0.059 nan 8.370 nan 0.000 0.462 143 P HA -0.188 nan 4.420 nan 0.000 0.219 143 P C 0.333 177.603 177.300 -0.049 0.000 1.144 143 P CA 0.979 64.044 63.100 -0.058 0.000 0.806 143 P CB 0.320 31.994 31.700 -0.043 0.000 0.771 144 N N -0.331 118.336 118.700 -0.054 0.000 2.353 144 N HA -0.003 4.737 4.740 -0.000 0.000 0.185 144 N C 0.899 176.383 175.510 -0.043 0.000 1.098 144 N CA 0.259 53.284 53.050 -0.042 0.000 0.872 144 N CB -0.091 38.373 38.487 -0.038 0.000 0.970 144 N HN 0.285 nan 8.380 nan 0.000 0.467 145 S N 0.546 116.210 115.700 -0.060 0.000 2.596 145 S HA 0.418 4.888 4.470 -0.000 0.000 0.260 145 S C 0.528 175.109 174.600 -0.031 0.000 1.336 145 S CA -0.847 57.321 58.200 -0.053 0.000 0.993 145 S CB 1.101 64.252 63.200 -0.082 0.000 0.923 145 S HN 0.233 nan 8.310 nan 0.000 0.567 146 A N 0.938 123.746 122.820 -0.020 0.000 2.548 146 A HA 0.407 4.727 4.320 -0.000 0.000 0.247 146 A C 0.405 177.989 177.584 0.000 0.000 1.067 146 A CA -0.299 51.734 52.037 -0.007 0.000 0.757 146 A CB -0.738 18.262 19.000 -0.001 0.000 0.996 146 A HN 1.651 nan 8.150 nan 0.000 0.504 147 V N 4.758 124.674 119.914 0.004 0.000 2.461 147 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 147 V C 0.761 176.865 176.094 0.017 0.000 1.047 147 V CA -0.174 62.133 62.300 0.011 0.000 0.955 147 V CB 0.583 32.412 31.823 0.010 0.000 0.988 147 V HN 0.812 nan 8.190 nan 0.000 0.471 148 L N 3.937 125.174 121.223 0.023 0.000 2.249 148 L HA 0.449 4.789 4.340 -0.000 0.000 0.207 148 L C 0.976 177.868 176.870 0.036 0.000 1.090 148 L CA 0.610 55.467 54.840 0.028 0.000 0.802 148 L CB -0.103 41.974 42.059 0.031 0.000 0.947 148 L HN 0.756 nan 8.230 nan 0.000 0.453 149 E N -1.158 119.064 120.200 0.037 0.000 2.390 149 E HA 0.337 4.687 4.350 -0.000 0.000 0.280 149 E C -1.272 175.349 176.600 0.034 0.000 0.992 149 E CA -0.406 56.023 56.400 0.049 0.000 0.790 149 E CB 2.392 32.134 29.700 0.071 0.000 1.248 149 E HN -0.236 nan 8.360 nan 0.000 0.447 150 T N 2.118 116.699 114.554 0.046 0.000 3.008 150 T HA 0.355 4.705 4.350 -0.000 0.000 0.328 150 T C -0.639 174.100 174.700 0.064 0.000 1.020 150 T CA -0.553 61.571 62.100 0.040 0.000 1.043 150 T CB 0.117 69.008 68.868 0.039 0.000 1.010 150 T HN 0.192 nan 8.240 nan 0.000 0.466 151 L N 3.071 124.321 121.223 0.044 0.000 2.264 151 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 151 L C 0.159 177.103 176.870 0.123 0.000 1.044 151 L CA -0.845 54.048 54.840 0.087 0.000 0.807 151 L CB 0.821 42.814 42.059 -0.110 0.000 1.192 151 L HN 0.511 nan 8.230 nan 0.000 0.425 152 D N 2.034 122.551 120.400 0.195 0.000 2.274 152 D HA 0.406 5.046 4.640 -0.000 0.000 0.239 152 D C -0.441 175.989 176.300 0.217 0.000 1.104 152 D CA 0.025 54.119 54.000 0.156 0.000 0.840 152 D CB 1.411 42.268 40.800 0.095 0.000 1.100 152 D HN 0.471 nan 8.370 nan 0.000 0.477 153 T N 1.788 116.467 114.554 0.208 0.000 2.883 153 T HA 0.272 4.622 4.350 -0.000 0.000 0.296 153 T C 0.428 175.289 174.700 0.269 0.000 1.117 153 T CA -0.540 61.703 62.100 0.239 0.000 1.006 153 T CB 1.738 70.723 68.868 0.195 0.000 1.191 153 T HN 0.478 nan 8.240 nan 0.000 0.508 154 E N 0.612 120.946 120.200 0.223 0.000 2.075 154 E HA 0.149 4.499 4.350 -0.000 0.000 0.190 154 E C -0.661 175.915 176.600 -0.040 0.000 0.969 154 E CA 0.492 56.970 56.400 0.129 0.000 0.815 154 E CB 0.276 30.007 29.700 0.053 0.000 0.776 154 E HN 0.580 nan 8.360 nan 0.000 0.457 155 Y N -0.067 120.375 120.300 0.237 0.000 2.393 155 Y HA 0.447 4.997 4.550 -0.000 0.000 0.341 155 Y C -0.434 175.576 175.900 0.184 0.000 0.988 155 Y CA -0.771 57.461 58.100 0.219 0.000 1.078 155 Y CB 1.514 40.141 38.460 0.279 0.000 1.203 155 Y HN -0.060 nan 8.280 nan 0.000 0.453 156 I N 4.824 125.573 120.570 0.298 0.000 2.389 156 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 156 I C -1.222 174.980 176.117 0.140 0.000 0.999 156 I CA -0.890 60.508 61.300 0.163 0.000 1.129 156 I CB 1.590 39.633 38.000 0.071 0.000 1.288 156 I HN 0.308 nan 8.210 nan 0.000 0.444 157 L N 8.160 129.406 121.223 0.038 0.000 2.296 157 L HA 0.555 4.895 4.340 -0.000 0.000 0.286 157 L C -1.118 175.710 176.870 -0.070 0.000 1.023 157 L CA -0.164 54.605 54.840 -0.118 0.000 0.812 157 L CB 1.239 43.103 42.059 -0.324 0.000 1.223 157 L HN 0.449 nan 8.230 nan 0.000 0.421 158 L N 6.231 127.421 121.223 -0.056 0.000 2.277 158 L HA 0.687 5.027 4.340 -0.000 0.000 0.284 158 L C 0.247 177.098 176.870 -0.032 0.000 1.028 158 L CA -0.201 54.620 54.840 -0.032 0.000 0.835 158 L CB 1.483 43.534 42.059 -0.013 0.000 1.215 158 L HN 0.818 nan 8.230 nan 0.000 0.425 159 A N 0.991 123.796 122.820 -0.026 0.000 3.105 159 A HA 0.301 4.621 4.320 -0.000 0.000 0.297 159 A C 0.999 178.589 177.584 0.010 0.000 0.977 159 A CA -0.155 51.877 52.037 -0.008 0.000 1.020 159 A CB -0.227 18.763 19.000 -0.017 0.000 1.098 159 A HN 0.701 nan 8.150 nan 0.000 0.497 160 T N -3.283 111.279 114.554 0.013 0.000 3.129 160 T HA 0.442 4.791 4.350 -0.000 0.000 0.251 160 T C 1.295 176.031 174.700 0.060 0.000 1.117 160 T CA 0.994 63.104 62.100 0.018 0.000 1.034 160 T CB -0.194 68.672 68.868 -0.003 0.000 0.968 160 T HN 1.990 nan 8.240 nan 0.000 0.526 161 G N 0.865 109.712 108.800 0.078 0.000 2.553 161 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.242 161 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.242 161 G C -0.247 174.743 174.900 0.149 0.000 1.277 161 G CA -0.233 44.938 45.100 0.119 0.000 0.910 161 G HN 0.685 nan 8.290 nan 0.000 0.576 162 S N -1.235 114.588 115.700 0.205 0.000 2.715 162 S HA 0.784 5.254 4.470 -0.000 0.000 0.307 162 S C -1.021 173.830 174.600 0.418 0.000 1.119 162 S CA -0.229 58.115 58.200 0.241 0.000 0.937 162 S CB 1.736 65.043 63.200 0.179 0.000 1.150 162 S HN 0.704 nan 8.310 nan 0.000 0.521 163 W N 1.253 122.604 121.300 0.085 0.000 3.033 163 W HA 0.388 5.048 4.660 -0.000 0.000 0.336 163 W C -3.085 173.484 176.519 0.083 0.000 1.173 163 W CA -2.409 54.994 57.345 0.097 0.000 1.185 163 W CB 1.635 31.165 29.460 0.116 0.000 1.425 163 W HN 0.416 nan 8.180 nan 0.000 0.536 164 P HA -0.042 nan 4.420 nan 0.000 0.268 164 P C -0.712 176.565 177.300 -0.037 0.000 1.204 164 P CA 0.641 63.597 63.100 -0.239 0.000 0.768 164 P CB 0.613 32.051 31.700 -0.437 0.000 0.842 165 Q N 2.608 122.383 119.800 -0.041 0.000 2.306 165 Q HA 0.156 4.496 4.340 -0.000 0.000 0.241 165 Q C -0.288 175.664 176.000 -0.079 0.000 0.948 165 Q CA -0.292 55.542 55.803 0.052 0.000 0.886 165 Q CB 0.510 29.271 28.738 0.039 0.000 1.227 165 Q HN 0.549 nan 8.270 nan 0.000 0.457 166 H N 1.436 120.525 119.070 0.032 0.000 2.676 166 H HA 0.332 4.888 4.556 -0.000 0.000 0.352 166 H C -0.815 174.522 175.328 0.015 0.000 1.193 166 H CA -0.784 55.274 56.048 0.017 0.000 1.243 166 H CB 1.320 31.102 29.762 0.032 0.000 1.751 166 H HN 0.413 nan 8.280 nan 0.000 0.567 167 L N 0.264 121.552 121.223 0.108 0.000 2.379 167 L HA 0.227 4.567 4.340 -0.000 0.000 0.269 167 L C 1.564 178.478 176.870 0.074 0.000 1.084 167 L CA 0.261 55.137 54.840 0.059 0.000 0.802 167 L CB 1.102 43.172 42.059 0.019 0.000 1.175 167 L HN 0.897 nan 8.230 nan 0.000 0.448 168 G N 3.767 112.597 108.800 0.050 0.000 2.534 168 G HA2 -0.044 3.915 3.960 -0.000 0.000 0.217 168 G HA3 -0.044 3.915 3.960 -0.000 0.000 0.217 168 G C 0.778 175.695 174.900 0.029 0.000 1.128 168 G CA 0.386 45.511 45.100 0.042 0.000 0.784 168 G HN 0.697 nan 8.290 nan 0.000 0.542 169 I N -1.580 119.003 120.570 0.020 0.000 3.003 169 I HA 0.145 4.314 4.170 -0.000 0.000 0.294 169 I C 0.402 176.524 176.117 0.007 0.000 1.237 169 I CA -0.449 60.855 61.300 0.007 0.000 1.417 169 I CB 0.581 38.574 38.000 -0.011 0.000 1.340 169 I HN -0.030 nan 8.210 nan 0.000 0.594 170 E N 3.995 124.196 120.200 0.001 0.000 2.415 170 E HA 0.237 4.587 4.350 -0.000 0.000 0.260 170 E C 0.927 177.525 176.600 -0.003 0.000 1.016 170 E CA 0.858 57.260 56.400 0.002 0.000 0.924 170 E CB 0.187 29.888 29.700 0.002 0.000 0.961 170 E HN 1.045 nan 8.360 nan 0.000 0.459 171 G N 4.542 113.344 108.800 0.003 0.000 2.184 171 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.206 171 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.206 171 G C 0.669 175.572 174.900 0.004 0.000 0.995 171 G CA 0.281 45.381 45.100 -0.001 0.000 0.651 171 G HN 0.728 nan 8.290 nan 0.000 0.511 172 D N 1.317 121.729 120.400 0.019 0.000 2.190 172 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 172 D C 2.175 178.514 176.300 0.064 0.000 0.992 172 D CA 1.674 55.703 54.000 0.048 0.000 0.854 172 D CB 0.013 40.861 40.800 0.080 0.000 0.936 172 D HN 0.578 nan 8.370 nan 0.000 0.462 173 D N -0.352 120.074 120.400 0.043 0.000 2.371 173 D HA -0.134 4.506 4.640 -0.000 0.000 0.221 173 D C 1.582 177.902 176.300 0.033 0.000 0.986 173 D CA 0.230 54.256 54.000 0.043 0.000 0.899 173 D CB -0.017 40.799 40.800 0.028 0.000 0.902 173 D HN 0.268 nan 8.370 nan 0.000 0.530 174 L N 0.484 121.719 121.223 0.019 0.000 2.640 174 L HA 0.212 4.552 4.340 -0.000 0.000 0.230 174 L C -0.031 176.834 176.870 -0.008 0.000 1.123 174 L CA 0.015 54.859 54.840 0.007 0.000 0.900 174 L CB 0.339 42.400 42.059 0.004 0.000 1.146 174 L HN 0.059 nan 8.230 nan 0.000 0.484 175 C N 0.006 119.302 119.300 -0.006 0.000 2.366 175 C HA 0.585 5.045 4.460 -0.000 0.000 0.345 175 C C 0.729 175.698 174.990 -0.034 0.000 1.209 175 C CA -1.282 57.714 59.018 -0.038 0.000 2.050 175 C CB 0.638 28.349 27.740 -0.049 0.000 2.359 175 C HN 0.352 nan 8.230 nan 0.000 0.527 176 I N 1.078 121.602 120.570 -0.077 0.000 3.204 176 I HA 0.864 5.034 4.170 -0.000 0.000 0.313 176 I C 0.318 176.331 176.117 -0.175 0.000 1.082 176 I CA -0.125 61.119 61.300 -0.094 0.000 1.033 176 I CB 1.457 39.399 38.000 -0.097 0.000 1.304 176 I HN 0.686 nan 8.210 nan 0.000 0.536 177 T N -2.202 112.211 114.554 -0.235 0.000 2.831 177 T HA 0.290 4.640 4.350 -0.000 0.000 0.287 177 T C 0.854 175.310 174.700 -0.407 0.000 1.070 177 T CA -0.076 61.825 62.100 -0.332 0.000 1.010 177 T CB 1.188 69.836 68.868 -0.366 0.000 1.264 177 T HN 0.805 nan 8.240 nan 0.000 0.532 178 S N 0.495 115.903 115.700 -0.486 0.000 2.420 178 S HA -0.231 4.239 4.470 -0.000 0.000 0.237 178 S C 1.526 175.878 174.600 -0.413 0.000 1.023 178 S CA 1.663 59.471 58.200 -0.653 0.000 0.991 178 S CB -1.200 61.736 63.200 -0.440 0.000 0.792 178 S HN 0.763 nan 8.310 nan 0.000 0.488 179 N N 1.489 120.010 118.700 -0.298 0.000 2.104 179 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 179 N C 1.738 177.162 175.510 -0.143 0.000 1.024 179 N CA 1.614 54.502 53.050 -0.271 0.000 0.853 179 N CB -0.150 37.836 38.487 -0.835 0.000 1.008 179 N HN 0.522 nan 8.380 nan 0.000 0.424 180 E N 0.655 120.733 120.200 -0.202 0.000 2.122 180 E HA 0.077 4.427 4.350 -0.000 0.000 0.190 180 E C 1.981 178.638 176.600 0.095 0.000 0.977 180 E CA 0.582 57.011 56.400 0.050 0.000 0.820 180 E CB -0.160 29.538 29.700 -0.004 0.000 0.770 180 E HN 0.300 nan 8.360 nan 0.000 0.462 181 A N 0.657 123.398 122.820 -0.132 0.000 1.940 181 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 181 A C 1.829 179.420 177.584 0.012 0.000 1.190 181 A CA 1.672 53.613 52.037 -0.160 0.000 0.647 181 A CB -0.996 17.517 19.000 -0.811 0.000 0.821 181 A HN 0.265 nan 8.150 nan 0.000 0.457 182 F N -2.329 117.651 119.950 0.051 0.000 2.293 182 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 182 F C 1.565 177.151 175.800 -0.357 0.000 1.086 182 F CA 1.115 59.016 58.000 -0.165 0.000 1.375 182 F CB -0.447 38.315 39.000 -0.395 0.000 1.045 182 F HN 0.320 nan 8.300 nan 0.000 0.516 183 Y N -0.418 120.112 120.300 0.383 0.000 2.555 183 Y HA 0.302 4.852 4.550 -0.000 0.000 0.259 183 Y C 0.527 176.614 175.900 0.311 0.000 1.179 183 Y CA -0.834 57.458 58.100 0.320 0.000 1.230 183 Y CB -0.567 38.087 38.460 0.323 0.000 1.146 183 Y HN -0.219 nan 8.280 nan 0.000 0.526 184 L N 1.134 122.618 121.223 0.435 0.000 2.485 184 L HA -0.024 4.316 4.340 -0.000 0.000 0.275 184 L C 0.570 177.718 176.870 0.462 0.000 1.207 184 L CA 0.341 55.404 54.840 0.372 0.000 0.855 184 L CB 0.635 42.851 42.059 0.260 0.000 1.114 184 L HN 0.282 nan 8.230 nan 0.000 0.485 185 D N -0.028 120.543 120.400 0.285 0.000 2.305 185 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 185 D C -0.106 176.355 176.300 0.269 0.000 0.974 185 D CA 0.491 54.661 54.000 0.284 0.000 0.871 185 D CB 0.287 41.193 40.800 0.176 0.000 0.947 185 D HN 0.520 nan 8.370 nan 0.000 0.516 186 E N 0.049 120.299 120.200 0.084 0.000 2.288 186 E HA 0.639 4.989 4.350 -0.000 0.000 0.268 186 E C -1.076 175.241 176.600 -0.471 0.000 0.885 186 E CA -1.143 55.224 56.400 -0.056 0.000 0.767 186 E CB 2.217 31.888 29.700 -0.048 0.000 1.220 186 E HN 0.078 nan 8.360 nan 0.000 0.427 187 A N 3.460 125.876 122.820 -0.673 0.000 2.401 187 A HA 0.344 4.664 4.320 -0.000 0.000 0.259 187 A C -2.056 175.215 177.584 -0.522 0.000 1.103 187 A CA -1.157 50.278 52.037 -1.003 0.000 0.789 187 A CB -0.326 18.318 19.000 -0.593 0.000 1.035 187 A HN 0.342 nan 8.150 nan 0.000 0.491 188 P HA 0.016 nan 4.420 nan 0.000 0.265 188 P C 0.253 177.410 177.300 -0.239 0.000 1.193 188 P CA -0.072 62.791 63.100 -0.394 0.000 0.765 188 P CB 0.874 32.242 31.700 -0.554 0.000 0.823 189 K N 2.683 122.998 120.400 -0.142 0.000 2.116 189 K HA -0.016 4.304 4.320 -0.000 0.000 0.203 189 K C 0.540 177.109 176.600 -0.052 0.000 1.052 189 K CA 0.902 57.144 56.287 -0.074 0.000 0.952 189 K CB 0.318 32.788 32.500 -0.049 0.000 0.729 189 K HN 0.465 nan 8.250 nan 0.000 0.446 190 R N -0.237 120.233 120.500 -0.051 0.000 2.561 190 R HA 0.493 4.833 4.340 -0.000 0.000 0.297 190 R C -1.353 174.967 176.300 0.034 0.000 0.969 190 R CA -0.538 55.579 56.100 0.030 0.000 0.879 190 R CB 2.178 32.501 30.300 0.038 0.000 1.178 190 R HN 0.035 nan 8.270 nan 0.000 0.445 191 A N 2.737 125.582 122.820 0.042 0.000 2.449 191 A HA 0.604 4.923 4.320 -0.000 0.000 0.302 191 A C -1.726 175.763 177.584 -0.158 0.000 1.048 191 A CA -0.657 51.291 52.037 -0.149 0.000 0.708 191 A CB 1.693 20.422 19.000 -0.453 0.000 1.274 191 A HN 0.521 nan 8.150 nan 0.000 0.410 192 L N 2.041 123.009 121.223 -0.425 0.000 2.298 192 L HA 0.636 4.976 4.340 -0.000 0.000 0.284 192 L C -0.874 175.866 176.870 -0.217 0.000 1.013 192 L CA -0.207 54.304 54.840 -0.548 0.000 0.824 192 L CB 0.813 42.237 42.059 -1.058 0.000 1.221 192 L HN 0.682 nan 8.230 nan 0.000 0.418 193 C N 4.465 123.723 119.300 -0.069 0.000 2.330 193 C HA 0.710 5.170 4.460 -0.000 0.000 0.344 193 C C 0.107 175.079 174.990 -0.031 0.000 1.273 193 C CA -0.872 58.138 59.018 -0.013 0.000 1.879 193 C CB 0.853 28.627 27.740 0.055 0.000 2.376 193 C HN 0.665 nan 8.230 nan 0.000 0.534 194 V N 4.212 124.101 119.914 -0.041 0.000 2.487 194 V HA 1.005 5.125 4.120 -0.000 0.000 0.298 194 V C -0.160 175.939 176.094 0.007 0.000 1.028 194 V CA 0.927 63.231 62.300 0.006 0.000 0.860 194 V CB 1.039 32.863 31.823 0.001 0.000 0.991 194 V HN 1.541 nan 8.190 nan 0.000 0.427 195 G N 3.689 112.536 108.800 0.077 0.000 2.335 195 G HA2 0.426 4.386 3.960 -0.000 0.000 0.592 195 G HA3 0.426 4.386 3.960 -0.000 0.000 0.592 195 G C 0.089 174.946 174.900 -0.072 0.000 1.442 195 G CA -0.211 44.932 45.100 0.073 0.000 0.976 195 G HN 1.668 nan 8.290 nan 0.000 0.652 196 G N -0.638 107.934 108.800 -0.380 0.000 3.519 196 G HA2 0.646 4.606 3.960 -0.000 0.000 0.269 196 G HA3 0.646 4.606 3.960 -0.000 0.000 0.269 196 G C 0.779 175.412 174.900 -0.445 0.000 1.028 196 G CA 1.163 45.795 45.100 -0.779 0.000 0.809 196 G HN 1.340 nan 8.290 nan 0.000 0.521 197 G N -0.342 108.313 108.800 -0.241 0.000 2.557 197 G HA2 0.370 4.329 3.960 -0.000 0.000 0.292 197 G HA3 0.370 4.329 3.960 -0.000 0.000 0.292 197 G C 0.828 175.670 174.900 -0.097 0.000 1.237 197 G CA -0.188 44.843 45.100 -0.116 0.000 0.978 197 G HN 0.283 nan 8.290 nan 0.000 0.498 198 Y N -1.026 119.231 120.300 -0.072 0.000 2.181 198 Y HA -0.029 4.521 4.550 -0.000 0.000 0.288 198 Y C 2.320 178.210 175.900 -0.018 0.000 1.146 198 Y CA 1.279 59.336 58.100 -0.072 0.000 1.164 198 Y CB -0.490 37.962 38.460 -0.015 0.000 0.982 198 Y HN 0.227 nan 8.280 nan 0.000 0.515 199 I N 0.104 120.289 120.570 -0.641 0.000 2.335 199 I HA -0.285 3.884 4.170 -0.000 0.000 0.251 199 I C 2.724 178.797 176.117 -0.074 0.000 1.129 199 I CA 1.573 62.669 61.300 -0.341 0.000 1.402 199 I CB -0.523 37.241 38.000 -0.393 0.000 1.069 199 I HN 0.366 nan 8.210 nan 0.000 0.424 200 S N 0.929 116.559 115.700 -0.116 0.000 2.335 200 S HA -0.095 4.375 4.470 -0.000 0.000 0.217 200 S C 2.017 176.598 174.600 -0.031 0.000 1.032 200 S CA 1.201 59.365 58.200 -0.061 0.000 0.985 200 S CB -0.185 62.958 63.200 -0.095 0.000 0.896 200 S HN 0.248 nan 8.310 nan 0.000 0.445 201 I N 1.661 122.191 120.570 -0.066 0.000 2.264 201 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 201 I C 2.450 178.537 176.117 -0.050 0.000 1.111 201 I CA 1.342 62.605 61.300 -0.061 0.000 1.382 201 I CB -0.271 37.670 38.000 -0.099 0.000 1.060 201 I HN 0.390 nan 8.210 nan 0.000 0.418 202 E N -0.182 119.991 120.200 -0.045 0.000 2.047 202 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 202 E C 2.152 178.602 176.600 -0.249 0.000 0.987 202 E CA 1.221 57.562 56.400 -0.098 0.000 0.799 202 E CB -0.163 29.496 29.700 -0.070 0.000 0.752 202 E HN 0.371 nan 8.360 nan 0.000 0.449 203 F N 1.046 120.858 119.950 -0.230 0.000 2.234 203 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 203 F C 2.370 177.923 175.800 -0.412 0.000 1.087 203 F CA 0.982 58.722 58.000 -0.433 0.000 1.340 203 F CB -0.324 38.376 39.000 -0.500 0.000 1.031 203 F HN -0.011 nan 8.300 nan 0.000 0.500 204 A N 0.027 122.837 122.820 -0.017 0.000 1.940 204 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 204 A C 2.544 180.148 177.584 0.032 0.000 1.176 204 A CA 1.892 53.964 52.037 0.058 0.000 0.631 204 A CB -1.557 17.469 19.000 0.043 0.000 0.814 204 A HN 0.414 nan 8.150 nan 0.000 0.446 205 G N -0.152 108.629 108.800 -0.032 0.000 2.394 205 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.215 205 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.215 205 G C 1.522 176.438 174.900 0.026 0.000 1.165 205 G CA 0.958 46.055 45.100 -0.005 0.000 0.784 205 G HN 0.470 nan 8.290 nan 0.000 0.535 206 I N 0.217 120.749 120.570 -0.063 0.000 2.099 206 I HA -0.176 3.994 4.170 -0.000 0.000 0.239 206 I C 2.502 178.795 176.117 0.292 0.000 1.066 206 I CA 1.065 62.393 61.300 0.047 0.000 1.324 206 I CB -0.391 37.445 38.000 -0.274 0.000 1.037 206 I HN 0.017 nan 8.210 nan 0.000 0.401 207 F N 1.180 121.264 119.950 0.223 0.000 2.120 207 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 207 F C 2.411 178.288 175.800 0.128 0.000 1.095 207 F CA 1.764 59.849 58.000 0.142 0.000 1.249 207 F CB -1.571 37.465 39.000 0.060 0.000 0.995 207 F HN 0.191 nan 8.300 nan 0.000 0.480 208 N N 0.192 119.058 118.700 0.277 0.000 2.120 208 N HA -0.145 4.594 4.740 -0.000 0.000 0.188 208 N C 1.804 177.393 175.510 0.131 0.000 1.024 208 N CA 1.479 54.627 53.050 0.163 0.000 0.852 208 N CB -0.333 38.217 38.487 0.104 0.000 1.003 208 N HN 0.179 nan 8.380 nan 0.000 0.424 209 A N -1.169 121.733 122.820 0.136 0.000 1.929 209 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 209 A C 1.507 179.030 177.584 -0.103 0.000 1.176 209 A CA 1.010 53.043 52.037 -0.006 0.000 0.628 209 A CB -0.719 18.238 19.000 -0.071 0.000 0.816 209 A HN 0.490 nan 8.150 nan 0.000 0.444 210 Y N 0.707 121.134 120.300 0.210 0.000 2.482 210 Y HA 0.106 4.656 4.550 -0.000 0.000 0.270 210 Y C 1.123 177.110 175.900 0.146 0.000 1.152 210 Y CA 0.253 58.500 58.100 0.245 0.000 1.292 210 Y CB 0.068 38.819 38.460 0.485 0.000 1.070 210 Y HN 0.347 nan 8.280 nan 0.000 0.528 211 K N 1.120 121.640 120.400 0.200 0.000 2.397 211 K HA 0.345 4.665 4.320 -0.000 0.000 0.265 211 K C 0.240 176.880 176.600 0.066 0.000 0.982 211 K CA -0.043 56.296 56.287 0.086 0.000 0.931 211 K CB 0.596 33.132 32.500 0.060 0.000 0.943 211 K HN 0.022 nan 8.250 nan 0.000 0.501 212 A N 2.297 125.137 122.820 0.033 0.000 2.445 212 A HA 0.076 4.396 4.320 -0.000 0.000 0.242 212 A C 1.059 178.657 177.584 0.023 0.000 1.075 212 A CA -0.321 51.735 52.037 0.030 0.000 0.777 212 A CB 0.207 19.215 19.000 0.014 0.000 1.013 212 A HN 0.928 nan 8.150 nan 0.000 0.493 213 R N 1.604 122.117 120.500 0.023 0.000 2.178 213 R HA -0.236 4.104 4.340 -0.000 0.000 0.257 213 R C 1.579 177.886 176.300 0.011 0.000 1.163 213 R CA 1.840 57.951 56.100 0.017 0.000 0.981 213 R CB -0.326 29.984 30.300 0.016 0.000 0.878 213 R HN 0.812 nan 8.270 nan 0.000 0.454 214 G N -0.088 108.715 108.800 0.006 0.000 3.440 214 G HA2 0.231 4.191 3.960 -0.000 0.000 0.263 214 G HA3 0.231 4.191 3.960 -0.000 0.000 0.263 214 G C 0.289 175.190 174.900 0.001 0.000 1.236 214 G CA 0.033 45.134 45.100 0.002 0.000 0.927 214 G HN 0.343 nan 8.290 nan 0.000 0.530 215 G N -0.994 107.810 108.800 0.007 0.000 2.616 215 G HA2 0.513 4.473 3.960 -0.000 0.000 0.268 215 G HA3 0.513 4.473 3.960 -0.000 0.000 0.268 215 G C -0.538 174.372 174.900 0.018 0.000 1.213 215 G CA -0.253 44.851 45.100 0.007 0.000 0.926 215 G HN 0.210 nan 8.290 nan 0.000 0.523 216 Q N -1.219 118.599 119.800 0.030 0.000 2.320 216 Q HA 0.411 4.751 4.340 -0.000 0.000 0.272 216 Q C -1.639 174.413 176.000 0.086 0.000 1.023 216 Q CA -0.530 55.303 55.803 0.050 0.000 0.855 216 Q CB 2.842 31.607 28.738 0.044 0.000 1.367 216 Q HN 0.343 nan 8.270 nan 0.000 0.406 217 V N 3.049 123.019 119.914 0.093 0.000 2.409 217 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 217 V C -0.707 175.451 176.094 0.107 0.000 1.020 217 V CA -0.706 61.663 62.300 0.115 0.000 0.848 217 V CB 1.869 33.775 31.823 0.139 0.000 0.990 217 V HN 0.621 nan 8.190 nan 0.000 0.430 218 D N 3.541 124.014 120.400 0.122 0.000 2.181 218 D HA 0.613 5.253 4.640 -0.000 0.000 0.248 218 D C -0.649 175.671 176.300 0.032 0.000 1.020 218 D CA -0.255 53.799 54.000 0.090 0.000 0.891 218 D CB 2.568 43.468 40.800 0.166 0.000 1.187 218 D HN 0.405 nan 8.370 nan 0.000 0.443 219 L N 1.210 122.449 121.223 0.027 0.000 2.349 219 L HA 0.695 5.035 4.340 -0.000 0.000 0.278 219 L C -1.201 175.689 176.870 0.034 0.000 0.996 219 L CA -0.463 54.390 54.840 0.021 0.000 0.825 219 L CB 1.447 43.512 42.059 0.011 0.000 1.243 219 L HN 0.415 nan 8.230 nan 0.000 0.412 220 A N 4.298 127.156 122.820 0.064 0.000 2.337 220 A HA 0.759 5.079 4.320 -0.000 0.000 0.329 220 A C -1.867 175.823 177.584 0.176 0.000 1.146 220 A CA -0.407 51.688 52.037 0.096 0.000 0.800 220 A CB 0.998 20.107 19.000 0.183 0.000 1.220 220 A HN 0.759 nan 8.150 nan 0.000 0.472 221 Y N 1.081 121.373 120.300 -0.013 0.000 2.482 221 Y HA 0.434 4.984 4.550 -0.000 0.000 0.334 221 Y C 0.847 176.738 175.900 -0.015 0.000 1.091 221 Y CA -1.012 57.077 58.100 -0.018 0.000 1.027 221 Y CB 1.468 39.901 38.460 -0.044 0.000 1.306 221 Y HN 0.818 nan 8.280 nan 0.000 0.446 222 R N 2.815 122.894 120.500 -0.702 0.000 2.096 222 R HA -0.058 4.282 4.340 -0.000 0.000 0.240 222 R C 1.074 176.993 176.300 -0.636 0.000 1.139 222 R CA 1.442 57.204 56.100 -0.564 0.000 0.952 222 R CB -0.495 29.559 30.300 -0.410 0.000 0.854 222 R HN 0.839 nan 8.270 nan 0.000 0.436 223 G N 0.048 108.128 108.800 -1.201 0.000 2.683 223 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.260 223 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.260 223 G C 0.045 174.679 174.900 -0.444 0.000 1.238 223 G CA -0.329 44.477 45.100 -0.490 0.000 0.934 223 G HN 0.168 nan 8.290 nan 0.000 0.534 224 D N -0.580 119.675 120.400 -0.242 0.000 2.103 224 D HA -0.020 4.620 4.640 -0.000 0.000 0.199 224 D C 0.912 177.140 176.300 -0.120 0.000 0.978 224 D CA 1.165 54.992 54.000 -0.288 0.000 0.829 224 D CB 0.183 40.988 40.800 0.009 0.000 0.981 224 D HN 0.199 nan 8.370 nan 0.000 0.464 225 M N 0.568 120.198 119.600 0.050 0.000 2.550 225 M HA 0.326 4.806 4.480 -0.000 0.000 0.292 225 M C -0.299 176.055 176.300 0.089 0.000 1.221 225 M CA -0.881 54.454 55.300 0.058 0.000 0.873 225 M CB 3.431 36.045 32.600 0.024 0.000 1.727 225 M HN -0.154 nan 8.290 nan 0.000 0.459 226 I N -0.665 119.874 120.570 -0.052 0.000 3.194 226 I HA 0.182 4.352 4.170 -0.000 0.000 0.283 226 I C 0.194 176.181 176.117 -0.217 0.000 1.199 226 I CA -0.792 60.335 61.300 -0.288 0.000 1.328 226 I CB 0.276 38.128 38.000 -0.248 0.000 1.404 226 I HN 0.671 nan 8.210 nan 0.000 0.618 227 L N 1.905 122.959 121.223 -0.281 0.000 3.597 227 L HA -0.191 4.149 4.340 -0.000 0.000 0.440 227 L C 0.612 177.537 176.870 0.091 0.000 1.277 227 L CA 1.207 55.941 54.840 -0.177 0.000 0.852 227 L CB -1.673 40.147 42.059 -0.398 0.000 1.708 227 L HN 0.981 nan 8.230 nan 0.000 0.885 228 R N -0.508 120.040 120.500 0.080 0.000 2.570 228 R HA 0.455 4.795 4.340 -0.000 0.000 0.277 228 R C 1.241 177.675 176.300 0.222 0.000 1.039 228 R CA 0.422 56.614 56.100 0.152 0.000 1.065 228 R CB 0.278 30.666 30.300 0.146 0.000 0.964 228 R HN 0.651 nan 8.270 nan 0.000 0.428 229 G N 1.328 110.227 108.800 0.164 0.000 2.195 229 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.224 229 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.224 229 G C -0.354 174.537 174.900 -0.016 0.000 0.990 229 G CA -0.182 44.963 45.100 0.075 0.000 0.639 229 G HN 0.516 nan 8.290 nan 0.000 0.514 230 F N 1.196 121.132 119.950 -0.023 0.000 2.461 230 F HA 0.567 5.094 4.527 -0.000 0.000 0.332 230 F C 0.746 176.483 175.800 -0.104 0.000 1.073 230 F CA -0.942 57.026 58.000 -0.054 0.000 1.017 230 F CB 0.584 39.556 39.000 -0.046 0.000 1.301 230 F HN -0.012 nan 8.300 nan 0.000 0.492 231 D N 0.340 120.741 120.400 0.002 0.000 2.493 231 D HA -0.042 4.598 4.640 -0.000 0.000 0.240 231 D C 0.776 177.074 176.300 -0.003 0.000 1.142 231 D CA 0.303 54.222 54.000 -0.135 0.000 0.872 231 D CB 1.077 41.719 40.800 -0.264 0.000 1.173 231 D HN 0.575 nan 8.370 nan 0.000 0.467 232 S N 3.385 119.090 115.700 0.008 0.000 2.489 232 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 232 S C 1.297 175.915 174.600 0.029 0.000 0.995 232 S CA 0.098 58.317 58.200 0.032 0.000 0.934 232 S CB 0.282 63.508 63.200 0.044 0.000 0.771 232 S HN 0.506 nan 8.310 nan 0.000 0.522 233 E N 1.367 121.587 120.200 0.033 0.000 2.112 233 E HA 0.118 4.468 4.350 -0.000 0.000 0.190 233 E C 1.870 178.478 176.600 0.013 0.000 0.979 233 E CA 0.361 56.781 56.400 0.033 0.000 0.814 233 E CB -0.456 29.278 29.700 0.057 0.000 0.762 233 E HN 0.342 nan 8.360 nan 0.000 0.460 234 L N 1.093 122.321 121.223 0.007 0.000 2.046 234 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 234 L C 2.359 179.212 176.870 -0.029 0.000 1.077 234 L CA 1.615 56.447 54.840 -0.014 0.000 0.747 234 L CB -0.424 41.639 42.059 0.007 0.000 0.896 234 L HN -0.005 nan 8.230 nan 0.000 0.432 235 R N -0.876 119.614 120.500 -0.015 0.000 2.092 235 R HA -0.125 4.214 4.340 -0.000 0.000 0.231 235 R C 2.185 178.464 176.300 -0.034 0.000 1.119 235 R CA 1.116 57.193 56.100 -0.040 0.000 0.970 235 R CB -0.187 30.105 30.300 -0.015 0.000 0.864 235 R HN 0.341 nan 8.270 nan 0.000 0.440 236 K N 0.201 120.593 120.400 -0.013 0.000 2.025 236 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 236 K C 2.197 178.786 176.600 -0.017 0.000 1.049 236 K CA 0.991 57.271 56.287 -0.011 0.000 0.933 236 K CB -0.025 32.476 32.500 0.001 0.000 0.714 236 K HN 0.140 nan 8.250 nan 0.000 0.438 237 Q N 0.687 120.477 119.800 -0.017 0.000 2.172 237 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 237 Q C 2.219 178.202 176.000 -0.028 0.000 0.964 237 Q CA 0.809 56.602 55.803 -0.018 0.000 0.855 237 Q CB -0.042 28.686 28.738 -0.018 0.000 0.918 237 Q HN 0.206 nan 8.270 nan 0.000 0.444 238 L N 0.548 121.741 121.223 -0.050 0.000 2.083 238 L HA -0.143 4.196 4.340 -0.000 0.000 0.209 238 L C 2.094 178.933 176.870 -0.052 0.000 1.083 238 L CA 1.777 56.581 54.840 -0.061 0.000 0.752 238 L CB -0.699 41.301 42.059 -0.099 0.000 0.899 238 L HN 0.088 nan 8.230 nan 0.000 0.433 239 T N -0.620 113.904 114.554 -0.051 0.000 2.759 239 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 239 T C 1.724 176.400 174.700 -0.041 0.000 1.042 239 T CA 1.503 63.575 62.100 -0.046 0.000 1.140 239 T CB -0.208 68.636 68.868 -0.039 0.000 0.864 239 T HN 0.344 nan 8.240 nan 0.000 0.455 240 E N 1.266 121.447 120.200 -0.031 0.000 2.107 240 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 240 E C 2.354 178.930 176.600 -0.041 0.000 0.982 240 E CA 0.900 57.281 56.400 -0.032 0.000 0.809 240 E CB -0.285 29.407 29.700 -0.013 0.000 0.756 240 E HN 0.577 nan 8.360 nan 0.000 0.459 241 Q N -0.076 119.723 119.800 -0.002 0.000 2.119 241 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 241 Q C 2.091 178.075 176.000 -0.028 0.000 0.972 241 Q CA 0.580 56.412 55.803 0.049 0.000 0.847 241 Q CB -0.004 28.802 28.738 0.114 0.000 0.903 241 Q HN 0.098 nan 8.270 nan 0.000 0.433 242 L N 0.711 121.912 121.223 -0.036 0.000 1.989 242 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 242 L C 2.230 179.053 176.870 -0.079 0.000 1.071 242 L CA 1.827 56.640 54.840 -0.046 0.000 0.749 242 L CB -0.601 41.432 42.059 -0.043 0.000 0.890 242 L HN 0.125 nan 8.230 nan 0.000 0.431 243 R N -1.052 119.396 120.500 -0.086 0.000 2.083 243 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 243 R C 2.151 178.352 176.300 -0.164 0.000 1.137 243 R CA 1.469 57.511 56.100 -0.098 0.000 0.951 243 R CB -0.738 29.513 30.300 -0.081 0.000 0.851 243 R HN 0.420 nan 8.270 nan 0.000 0.434 244 A N 1.211 123.870 122.820 -0.268 0.000 2.032 244 A HA -0.191 4.129 4.320 -0.000 0.000 0.221 244 A C 1.719 179.004 177.584 -0.499 0.000 1.165 244 A CA 1.621 53.362 52.037 -0.493 0.000 0.645 244 A CB -0.389 18.042 19.000 -0.947 0.000 0.807 244 A HN 0.234 nan 8.150 nan 0.000 0.453 245 N N -1.327 117.182 118.700 -0.318 0.000 2.268 245 N HA 0.232 4.972 4.740 -0.000 0.000 0.204 245 N C 0.911 176.370 175.510 -0.084 0.000 1.124 245 N CA 0.969 53.922 53.050 -0.161 0.000 0.838 245 N CB 0.195 38.659 38.487 -0.039 0.000 0.994 245 N HN 0.554 nan 8.380 nan 0.000 0.489 246 G N 0.044 108.788 108.800 -0.093 0.000 2.176 246 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.232 246 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.232 246 G C 0.058 174.946 174.900 -0.020 0.000 0.986 246 G CA -0.045 45.027 45.100 -0.048 0.000 0.643 246 G HN 0.295 nan 8.290 nan 0.000 0.522 247 I N 1.529 122.088 120.570 -0.017 0.000 2.496 247 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 247 I C 0.543 176.657 176.117 -0.004 0.000 1.080 247 I CA -0.588 60.716 61.300 0.006 0.000 1.404 247 I CB 0.907 38.912 38.000 0.009 0.000 1.403 247 I HN 0.160 nan 8.210 nan 0.000 0.539 248 N N 6.812 125.520 118.700 0.013 0.000 2.415 248 N HA 0.146 4.886 4.740 -0.000 0.000 0.246 248 N C -0.968 174.543 175.510 0.002 0.000 1.078 248 N CA -0.275 52.778 53.050 0.004 0.000 0.942 248 N CB 0.777 39.274 38.487 0.016 0.000 1.140 248 N HN 0.286 nan 8.380 nan 0.000 0.501 249 V N 5.760 125.666 119.914 -0.013 0.000 2.372 249 V HA 0.230 4.350 4.120 -0.000 0.000 0.261 249 V C 0.505 176.585 176.094 -0.023 0.000 1.055 249 V CA -0.452 61.839 62.300 -0.015 0.000 0.930 249 V CB -0.295 31.514 31.823 -0.023 0.000 1.031 249 V HN 0.609 nan 8.190 nan 0.000 0.479 250 R N 2.624 123.107 120.500 -0.028 0.000 2.312 250 R HA 0.448 4.788 4.340 -0.000 0.000 0.310 250 R C 0.027 176.301 176.300 -0.044 0.000 1.064 250 R CA -0.443 55.621 56.100 -0.060 0.000 0.983 250 R CB 0.662 30.886 30.300 -0.128 0.000 1.139 250 R HN 0.616 nan 8.270 nan 0.000 0.536 251 T N -1.061 113.469 114.554 -0.040 0.000 2.849 251 T HA 0.141 4.491 4.350 -0.000 0.000 0.284 251 T C 0.361 175.011 174.700 -0.083 0.000 1.004 251 T CA -0.327 61.723 62.100 -0.083 0.000 1.021 251 T CB 0.272 69.042 68.868 -0.164 0.000 1.013 251 T HN 0.866 nan 8.240 nan 0.000 0.527 252 H N -1.180 117.838 119.070 -0.087 0.000 2.791 252 H HA -0.100 4.456 4.556 -0.000 0.000 0.302 252 H C -0.325 174.951 175.328 -0.086 0.000 1.198 252 H CA 0.789 56.775 56.048 -0.103 0.000 1.145 252 H CB -1.126 28.595 29.762 -0.070 0.000 1.385 252 H HN 0.528 nan 8.280 nan 0.000 0.409 253 E N 0.643 120.844 120.200 0.001 0.000 2.248 253 E HA 0.482 4.832 4.350 -0.000 0.000 0.267 253 E C -0.552 176.113 176.600 0.107 0.000 0.877 253 E CA -0.884 55.523 56.400 0.013 0.000 0.759 253 E CB 2.096 31.713 29.700 -0.138 0.000 1.182 253 E HN 0.308 nan 8.360 nan 0.000 0.418 254 N N 2.224 121.063 118.700 0.232 0.000 2.369 254 N HA 0.365 5.105 4.740 -0.000 0.000 0.287 254 N C -2.993 172.652 175.510 0.226 0.000 1.067 254 N CA -1.755 51.403 53.050 0.181 0.000 0.888 254 N CB 1.965 40.494 38.487 0.069 0.000 1.616 254 N HN -0.005 nan 8.380 nan 0.000 0.482 255 P HA 0.060 nan 4.420 nan 0.000 0.263 255 P C -0.576 176.674 177.300 -0.083 0.000 1.175 255 P CA 0.270 63.265 63.100 -0.175 0.000 0.761 255 P CB 0.829 32.417 31.700 -0.187 0.000 0.794 256 A N 3.120 125.868 122.820 -0.120 0.000 1.999 256 A HA 0.257 4.577 4.320 -0.000 0.000 0.200 256 A C 0.557 178.105 177.584 -0.060 0.000 1.363 256 A CA 1.099 53.105 52.037 -0.052 0.000 0.844 256 A CB 0.009 18.997 19.000 -0.019 0.000 0.954 256 A HN 0.472 nan 8.150 nan 0.000 0.481 257 K N -0.726 119.615 120.400 -0.098 0.000 2.561 257 K HA 0.542 4.862 4.320 -0.000 0.000 0.254 257 K C -2.164 174.380 176.600 -0.095 0.000 0.942 257 K CA -0.201 56.048 56.287 -0.063 0.000 0.818 257 K CB 1.846 34.333 32.500 -0.022 0.000 1.306 257 K HN 0.022 nan 8.250 nan 0.000 0.435 258 V N 3.595 123.473 119.914 -0.059 0.000 2.487 258 V HA 0.654 4.774 4.120 -0.000 0.000 0.298 258 V C -0.842 175.253 176.094 0.003 0.000 1.028 258 V CA -0.474 61.796 62.300 -0.050 0.000 0.860 258 V CB 1.873 33.659 31.823 -0.063 0.000 0.991 258 V HN 0.967 nan 8.190 nan 0.000 0.427 259 T N 1.664 116.243 114.554 0.042 0.000 2.893 259 T HA 0.604 4.954 4.350 -0.000 0.000 0.293 259 T C -0.654 174.078 174.700 0.054 0.000 1.027 259 T CA -0.989 61.143 62.100 0.054 0.000 0.988 259 T CB 2.089 71.003 68.868 0.077 0.000 1.043 259 T HN 0.501 nan 8.240 nan 0.000 0.461 260 K N 2.473 122.890 120.400 0.029 0.000 2.322 260 K HA 0.316 4.636 4.320 -0.000 0.000 0.283 260 K C -0.223 176.387 176.600 0.016 0.000 1.042 260 K CA -0.196 56.104 56.287 0.021 0.000 0.958 260 K CB 0.236 32.743 32.500 0.011 0.000 0.984 260 K HN 0.513 nan 8.250 nan 0.000 0.473 261 N N 2.449 121.159 118.700 0.016 0.000 2.482 261 N HA 0.221 4.961 4.740 -0.000 0.000 0.279 261 N C 0.663 176.170 175.510 -0.006 0.000 1.182 261 N CA 0.193 53.243 53.050 -0.001 0.000 0.969 261 N CB 1.414 39.901 38.487 0.001 0.000 1.201 261 N HN 0.665 nan 8.380 nan 0.000 0.523 262 A N 1.226 124.037 122.820 -0.014 0.000 1.894 262 A HA -0.290 4.029 4.320 -0.000 0.000 0.220 262 A C 1.384 178.963 177.584 -0.009 0.000 1.237 262 A CA 2.618 54.647 52.037 -0.013 0.000 0.660 262 A CB -0.849 18.140 19.000 -0.018 0.000 0.835 262 A HN 0.840 nan 8.150 nan 0.000 0.461 263 D N -2.562 117.832 120.400 -0.010 0.000 2.312 263 D HA 0.261 4.901 4.640 -0.000 0.000 0.211 263 D C 1.288 177.584 176.300 -0.007 0.000 0.964 263 D CA 1.616 55.611 54.000 -0.009 0.000 0.877 263 D CB -0.438 40.355 40.800 -0.011 0.000 0.924 263 D HN 1.045 nan 8.370 nan 0.000 0.515 264 G N -0.335 108.463 108.800 -0.004 0.000 2.541 264 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.201 264 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.201 264 G C 0.568 175.467 174.900 -0.001 0.000 1.026 264 G CA 0.134 45.232 45.100 -0.003 0.000 0.687 264 G HN 0.716 nan 8.290 nan 0.000 0.492 265 T N 1.377 115.931 114.554 -0.001 0.000 2.855 265 T HA 0.525 4.874 4.350 -0.000 0.000 0.322 265 T C 0.477 175.193 174.700 0.027 0.000 1.088 265 T CA 0.053 62.157 62.100 0.006 0.000 1.104 265 T CB 1.119 69.987 68.868 -0.001 0.000 0.996 265 T HN 0.481 nan 8.240 nan 0.000 0.549 266 R N 0.923 121.449 120.500 0.043 0.000 2.500 266 R HA 0.363 4.703 4.340 -0.000 0.000 0.277 266 R C -0.510 175.850 176.300 0.099 0.000 1.026 266 R CA -0.660 55.475 56.100 0.060 0.000 1.058 266 R CB 0.468 30.793 30.300 0.041 0.000 1.078 266 R HN 0.952 nan 8.270 nan 0.000 0.509 267 H N 0.500 119.569 119.070 -0.001 0.000 2.646 267 H HA 0.394 4.949 4.556 -0.000 0.000 0.328 267 H C -1.179 174.133 175.328 -0.026 0.000 0.998 267 H CA -0.537 55.504 56.048 -0.012 0.000 1.225 267 H CB 0.939 30.687 29.762 -0.023 0.000 1.457 267 H HN 0.198 nan 8.280 nan 0.000 0.505 268 V N 6.400 126.064 119.914 -0.417 0.000 2.472 268 V HA 0.352 4.471 4.120 -0.000 0.000 0.290 268 V C -0.434 175.308 176.094 -0.587 0.000 1.037 268 V CA -0.732 61.303 62.300 -0.442 0.000 0.908 268 V CB 1.631 33.195 31.823 -0.432 0.000 0.985 268 V HN 0.633 nan 8.190 nan 0.000 0.454 269 V N 4.859 124.516 119.914 -0.428 0.000 2.448 269 V HA 0.524 4.643 4.120 -0.000 0.000 0.295 269 V C -0.537 175.415 176.094 -0.236 0.000 1.025 269 V CA -0.639 61.534 62.300 -0.212 0.000 0.859 269 V CB 1.387 33.184 31.823 -0.043 0.000 0.988 269 V HN 0.609 nan 8.190 nan 0.000 0.431 270 F N 1.319 121.259 119.950 -0.018 0.000 2.378 270 F HA 0.386 4.913 4.527 -0.000 0.000 0.325 270 F C 1.633 177.432 175.800 -0.002 0.000 1.097 270 F CA -0.431 57.565 58.000 -0.006 0.000 1.079 270 F CB 1.120 40.122 39.000 0.003 0.000 1.240 270 F HN 0.554 nan 8.300 nan 0.000 0.519 271 E N -0.016 120.303 120.200 0.199 0.000 2.333 271 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 271 E C 1.859 178.513 176.600 0.090 0.000 1.007 271 E CA 1.256 57.719 56.400 0.104 0.000 0.845 271 E CB -0.067 29.678 29.700 0.076 0.000 0.766 271 E HN 0.628 nan 8.360 nan 0.000 0.507 272 S N -1.118 114.653 115.700 0.118 0.000 2.489 272 S HA 0.086 4.555 4.470 -0.000 0.000 0.228 272 S C 1.712 176.353 174.600 0.069 0.000 0.995 272 S CA 0.553 58.793 58.200 0.067 0.000 0.934 272 S CB 0.466 63.689 63.200 0.039 0.000 0.771 272 S HN 0.394 nan 8.310 nan 0.000 0.522 273 G N 1.237 110.101 108.800 0.106 0.000 2.339 273 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.209 273 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.209 273 G C 0.374 175.348 174.900 0.124 0.000 1.015 273 G CA -0.170 44.986 45.100 0.092 0.000 0.635 273 G HN 1.344 nan 8.290 nan 0.000 0.499 274 A N 1.244 124.145 122.820 0.136 0.000 2.609 274 A HA 0.444 4.764 4.320 -0.000 0.000 0.232 274 A C 0.605 178.363 177.584 0.291 0.000 1.041 274 A CA 1.597 53.725 52.037 0.153 0.000 0.753 274 A CB -0.145 18.884 19.000 0.048 0.000 0.966 274 A HN 1.294 nan 8.150 nan 0.000 0.510 275 E N 0.647 120.971 120.200 0.206 0.000 2.367 275 E HA 0.794 5.144 4.350 -0.000 0.000 0.273 275 E C -0.601 176.049 176.600 0.082 0.000 0.903 275 E CA -0.585 55.893 56.400 0.131 0.000 0.764 275 E CB 1.996 31.721 29.700 0.041 0.000 1.252 275 E HN 1.202 nan 8.360 nan 0.000 0.446 276 A N 1.376 124.164 122.820 -0.052 0.000 2.524 276 A HA 0.664 4.984 4.320 -0.000 0.000 0.303 276 A C -1.864 175.550 177.584 -0.282 0.000 1.195 276 A CA -0.740 51.225 52.037 -0.118 0.000 0.651 276 A CB 1.892 20.850 19.000 -0.069 0.000 1.323 276 A HN 0.642 nan 8.150 nan 0.000 0.479 277 D N -1.243 118.852 120.400 -0.508 0.000 2.936 277 D HA 0.662 5.301 4.640 -0.000 0.000 0.238 277 D C -1.957 174.011 176.300 -0.553 0.000 1.248 277 D CA 0.235 54.040 54.000 -0.325 0.000 0.903 277 D CB 1.347 42.077 40.800 -0.117 0.000 1.544 277 D HN 0.391 nan 8.370 nan 0.000 0.543 278 Y N 0.765 121.044 120.300 -0.034 0.000 2.553 278 Y HA 0.268 4.818 4.550 -0.000 0.000 0.347 278 Y C 0.540 176.392 175.900 -0.080 0.000 1.019 278 Y CA -0.909 57.155 58.100 -0.060 0.000 1.032 278 Y CB 1.539 39.956 38.460 -0.072 0.000 1.284 278 Y HN 0.217 nan 8.280 nan 0.000 0.466 279 D N 0.265 120.695 120.400 0.050 0.000 2.123 279 D HA 0.020 4.660 4.640 -0.000 0.000 0.200 279 D C -0.345 175.912 176.300 -0.071 0.000 0.976 279 D CA 1.501 55.478 54.000 -0.038 0.000 0.831 279 D CB 0.319 41.060 40.800 -0.098 0.000 0.974 279 D HN 0.130 nan 8.370 nan 0.000 0.469 280 V N 0.353 120.197 119.914 -0.116 0.000 2.709 280 V HA 0.413 4.533 4.120 -0.000 0.000 0.308 280 V C -0.788 175.196 176.094 -0.184 0.000 1.062 280 V CA -0.807 61.378 62.300 -0.190 0.000 0.901 280 V CB 2.750 34.347 31.823 -0.376 0.000 1.003 280 V HN -0.253 nan 8.190 nan 0.000 0.425 281 V N 5.635 125.450 119.914 -0.164 0.000 2.409 281 V HA 0.484 4.604 4.120 -0.000 0.000 0.290 281 V C -0.254 175.744 176.094 -0.161 0.000 1.017 281 V CA -0.324 61.861 62.300 -0.192 0.000 0.841 281 V CB 1.576 33.303 31.823 -0.159 0.000 1.003 281 V HN 0.866 nan 8.190 nan 0.000 0.426 282 M N 6.547 126.053 119.600 -0.156 0.000 2.114 282 M HA 0.583 5.063 4.480 -0.000 0.000 0.332 282 M C -1.510 174.693 176.300 -0.160 0.000 1.014 282 M CA -0.623 54.585 55.300 -0.153 0.000 0.956 282 M CB 1.234 33.767 32.600 -0.111 0.000 1.551 282 M HN 0.527 nan 8.290 nan 0.000 0.427 283 L N 5.373 126.483 121.223 -0.188 0.000 2.260 283 L HA 0.548 4.887 4.340 -0.000 0.000 0.289 283 L C 0.216 176.957 176.870 -0.215 0.000 1.057 283 L CA -0.439 54.290 54.840 -0.185 0.000 0.811 283 L CB 0.937 42.868 42.059 -0.213 0.000 1.184 283 L HN 0.851 nan 8.230 nan 0.000 0.429 284 A N 4.479 127.201 122.820 -0.165 0.000 3.297 284 A HA 0.450 4.770 4.320 -0.000 0.000 0.304 284 A C 0.645 178.164 177.584 -0.109 0.000 0.963 284 A CA -0.410 51.524 52.037 -0.171 0.000 0.935 284 A CB -0.144 18.751 19.000 -0.176 0.000 1.093 284 A HN 0.878 nan 8.150 nan 0.000 0.480 285 I N -3.262 117.256 120.570 -0.088 0.000 3.860 285 I HA 0.620 4.790 4.170 -0.000 0.000 0.319 285 I C 0.711 176.827 176.117 -0.003 0.000 1.279 285 I CA 0.332 61.620 61.300 -0.021 0.000 1.220 285 I CB 0.598 38.596 38.000 -0.003 0.000 1.027 285 I HN 0.404 nan 8.210 nan 0.000 0.428 286 G N 0.761 109.542 108.800 -0.032 0.000 2.355 286 G HA2 0.449 4.408 3.960 -0.000 0.000 0.296 286 G HA3 0.449 4.408 3.960 -0.000 0.000 0.296 286 G C -1.706 173.192 174.900 -0.003 0.000 1.507 286 G CA -1.078 44.025 45.100 0.004 0.000 0.823 286 G HN 0.079 nan 8.290 nan 0.000 0.569 287 R N -0.269 120.252 120.500 0.035 0.000 2.513 287 R HA 0.630 4.970 4.340 -0.000 0.000 0.301 287 R C -0.219 176.138 176.300 0.096 0.000 0.968 287 R CA -0.807 55.326 56.100 0.056 0.000 0.872 287 R CB 2.324 32.659 30.300 0.058 0.000 1.177 287 R HN 0.838 nan 8.270 nan 0.000 0.444 288 V N 0.767 120.761 119.914 0.134 0.000 2.630 288 V HA 0.591 4.711 4.120 -0.000 0.000 0.305 288 V C -2.534 173.650 176.094 0.150 0.000 1.046 288 V CA -2.998 59.384 62.300 0.136 0.000 0.934 288 V CB 1.642 33.553 31.823 0.147 0.000 1.003 288 V HN 0.548 nan 8.190 nan 0.000 0.451 289 P HA 0.167 nan 4.420 nan 0.000 0.264 289 P C -0.575 176.789 177.300 0.108 0.000 1.193 289 P CA 0.186 63.347 63.100 0.101 0.000 0.763 289 P CB 0.235 31.978 31.700 0.071 0.000 0.810 290 R N 2.750 123.316 120.500 0.110 0.000 3.171 290 R HA 0.156 4.496 4.340 -0.000 0.000 0.241 290 R C 0.524 176.846 176.300 0.037 0.000 1.421 290 R CA 0.113 56.262 56.100 0.082 0.000 1.444 290 R CB -0.263 30.096 30.300 0.099 0.000 1.247 290 R HN 0.530 nan 8.270 nan 0.000 0.636 291 S N 0.549 116.269 115.700 0.034 0.000 2.520 291 S HA -0.030 4.440 4.470 -0.000 0.000 0.219 291 S C 1.142 175.751 174.600 0.014 0.000 1.028 291 S CA -0.422 57.790 58.200 0.021 0.000 0.921 291 S CB 0.469 63.683 63.200 0.024 0.000 0.844 291 S HN 0.392 nan 8.310 nan 0.000 0.495 292 Q N 2.539 122.347 119.800 0.014 0.000 2.226 292 Q HA -0.022 4.318 4.340 -0.000 0.000 0.204 292 Q C 1.954 177.955 176.000 0.002 0.000 0.975 292 Q CA 1.848 57.656 55.803 0.009 0.000 0.866 292 Q CB -0.914 27.830 28.738 0.009 0.000 0.915 292 Q HN 0.840 nan 8.270 nan 0.000 0.440 293 T N -3.256 111.301 114.554 0.006 0.000 3.105 293 T HA 0.249 4.599 4.350 -0.000 0.000 0.253 293 T C 1.215 175.927 174.700 0.020 0.000 1.047 293 T CA -0.196 61.910 62.100 0.010 0.000 0.944 293 T CB -0.062 68.825 68.868 0.031 0.000 1.016 293 T HN 0.138 nan 8.240 nan 0.000 0.544 294 L N 0.141 121.372 121.223 0.014 0.000 2.478 294 L HA 0.215 4.555 4.340 -0.000 0.000 0.223 294 L C 1.092 177.965 176.870 0.005 0.000 1.140 294 L CA 0.276 55.123 54.840 0.011 0.000 0.842 294 L CB -0.669 41.393 42.059 0.005 0.000 0.953 294 L HN 0.375 nan 8.230 nan 0.000 0.452 295 Q N -0.531 119.269 119.800 0.001 0.000 2.463 295 Q HA -0.221 4.119 4.340 -0.000 0.000 0.299 295 Q C 1.061 177.059 176.000 -0.002 0.000 1.353 295 Q CA 0.004 55.806 55.803 -0.002 0.000 0.828 295 Q CB -1.606 27.130 28.738 -0.003 0.000 1.157 295 Q HN 0.499 nan 8.270 nan 0.000 0.436 296 L N -0.385 120.837 121.223 -0.002 0.000 2.131 296 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 296 L C 1.972 178.839 176.870 -0.005 0.000 1.092 296 L CA 1.948 56.786 54.840 -0.004 0.000 0.759 296 L CB -0.412 41.645 42.059 -0.002 0.000 0.903 296 L HN 0.532 nan 8.230 nan 0.000 0.435 297 D N -0.895 119.503 120.400 -0.004 0.000 2.263 297 D HA -0.201 4.439 4.640 -0.000 0.000 0.208 297 D C 1.900 178.198 176.300 -0.004 0.000 0.971 297 D CA 0.739 54.736 54.000 -0.004 0.000 0.867 297 D CB -0.131 40.667 40.800 -0.003 0.000 0.929 297 D HN 0.114 nan 8.370 nan 0.000 0.492 298 K N 0.381 120.779 120.400 -0.004 0.000 2.097 298 K HA 0.031 4.351 4.320 -0.000 0.000 0.205 298 K C 2.048 178.645 176.600 -0.004 0.000 1.050 298 K CA 1.260 57.546 56.287 -0.003 0.000 0.938 298 K CB -0.206 32.293 32.500 -0.002 0.000 0.718 298 K HN 0.347 nan 8.250 nan 0.000 0.442 299 A N -0.161 122.654 122.820 -0.009 0.000 2.238 299 A HA 0.280 4.599 4.320 -0.000 0.000 0.210 299 A C 1.286 178.860 177.584 -0.016 0.000 1.179 299 A CA 0.914 52.942 52.037 -0.016 0.000 0.827 299 A CB 0.091 19.075 19.000 -0.026 0.000 0.856 299 A HN 0.360 nan 8.150 nan 0.000 0.488 300 G N -0.963 107.830 108.800 -0.011 0.000 2.136 300 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.242 300 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.242 300 G C 0.144 175.036 174.900 -0.013 0.000 0.989 300 G CA 0.082 45.175 45.100 -0.010 0.000 0.682 300 G HN 0.765 nan 8.290 nan 0.000 0.522 301 V N 0.585 120.491 119.914 -0.014 0.000 2.529 301 V HA 0.323 4.443 4.120 -0.000 0.000 0.292 301 V C 0.975 177.063 176.094 -0.010 0.000 1.028 301 V CA 0.016 62.306 62.300 -0.015 0.000 1.074 301 V CB 1.346 33.161 31.823 -0.014 0.000 0.958 301 V HN 0.441 nan 8.190 nan 0.000 0.481 302 E N 3.483 123.676 120.200 -0.011 0.000 2.344 302 E HA 0.377 4.727 4.350 -0.000 0.000 0.270 302 E C -0.361 176.237 176.600 -0.004 0.000 1.021 302 E CA 0.057 56.453 56.400 -0.007 0.000 0.887 302 E CB 1.143 30.838 29.700 -0.009 0.000 0.997 302 E HN 0.640 nan 8.360 nan 0.000 0.429 303 V N 1.138 121.053 119.914 0.001 0.000 2.914 303 V HA 0.896 5.016 4.120 -0.000 0.000 0.314 303 V C 0.158 176.256 176.094 0.007 0.000 1.084 303 V CA -0.793 61.510 62.300 0.005 0.000 0.963 303 V CB 1.560 33.388 31.823 0.009 0.000 1.025 303 V HN 0.772 nan 8.190 nan 0.000 0.432 304 A N 2.543 125.368 122.820 0.009 0.000 2.387 304 A HA 0.337 4.657 4.320 -0.000 0.000 0.251 304 A C 1.338 178.931 177.584 0.016 0.000 1.113 304 A CA 0.391 52.435 52.037 0.011 0.000 0.794 304 A CB -0.026 18.982 19.000 0.013 0.000 1.069 304 A HN 1.047 nan 8.150 nan 0.000 0.506 305 K N 0.411 120.821 120.400 0.017 0.000 2.057 305 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 305 K C 1.322 177.938 176.600 0.026 0.000 1.050 305 K CA 1.780 58.078 56.287 0.020 0.000 0.935 305 K CB -0.319 32.193 32.500 0.019 0.000 0.715 305 K HN 0.883 nan 8.250 nan 0.000 0.439 306 N N -0.366 118.352 118.700 0.030 0.000 2.521 306 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 306 N C 1.078 176.613 175.510 0.043 0.000 1.146 306 N CA 1.287 54.360 53.050 0.039 0.000 0.893 306 N CB 0.151 38.663 38.487 0.042 0.000 0.975 306 N HN 0.345 nan 8.380 nan 0.000 0.451 307 G N -1.140 107.681 108.800 0.035 0.000 2.213 307 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.226 307 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.226 307 G C 0.222 175.141 174.900 0.033 0.000 0.992 307 G CA 0.085 45.206 45.100 0.035 0.000 0.632 307 G HN 0.785 nan 8.290 nan 0.000 0.511 308 A N 0.621 123.460 122.820 0.031 0.000 2.546 308 A HA 0.546 4.866 4.320 -0.000 0.000 0.243 308 A C 0.688 178.282 177.584 0.016 0.000 1.063 308 A CA 0.366 52.419 52.037 0.026 0.000 0.757 308 A CB 0.009 19.021 19.000 0.020 0.000 0.991 308 A HN 0.823 nan 8.150 nan 0.000 0.503 309 I N 2.881 123.459 120.570 0.014 0.000 2.471 309 I HA 0.061 4.231 4.170 -0.000 0.000 0.286 309 I C 0.488 176.605 176.117 0.000 0.000 1.079 309 I CA 0.112 61.416 61.300 0.006 0.000 1.398 309 I CB 0.750 38.754 38.000 0.006 0.000 1.403 309 I HN 0.606 nan 8.210 nan 0.000 0.530 310 K N 6.420 126.818 120.400 -0.005 0.000 2.339 310 K HA 0.424 4.744 4.320 -0.000 0.000 0.286 310 K C -0.560 176.030 176.600 -0.016 0.000 1.050 310 K CA -0.334 55.947 56.287 -0.009 0.000 0.956 310 K CB 1.093 33.588 32.500 -0.008 0.000 0.990 310 K HN 0.494 nan 8.250 nan 0.000 0.475 311 V N -0.982 118.924 119.914 -0.014 0.000 3.078 311 V HA 0.399 4.519 4.120 -0.000 0.000 0.311 311 V C -0.522 175.570 176.094 -0.003 0.000 1.138 311 V CA -1.203 61.089 62.300 -0.014 0.000 1.007 311 V CB 1.861 33.686 31.823 0.004 0.000 1.045 311 V HN 0.831 nan 8.190 nan 0.000 0.432 312 D N 2.269 122.676 120.400 0.012 0.000 2.496 312 D HA 0.561 5.201 4.640 -0.000 0.000 0.283 312 D C 1.331 177.656 176.300 0.042 0.000 1.214 312 D CA 0.129 54.153 54.000 0.041 0.000 1.089 312 D CB 0.838 41.685 40.800 0.079 0.000 1.141 312 D HN 0.816 nan 8.370 nan 0.000 0.580 313 A N -1.324 121.504 122.820 0.013 0.000 1.972 313 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 313 A C 1.534 178.971 177.584 -0.245 0.000 1.169 313 A CA 1.076 53.025 52.037 -0.146 0.000 0.635 313 A CB -1.098 17.733 19.000 -0.281 0.000 0.810 313 A HN 0.561 nan 8.150 nan 0.000 0.446 314 Y N -0.401 119.964 120.300 0.108 0.000 2.532 314 Y HA 0.260 4.809 4.550 -0.000 0.000 0.283 314 Y C 1.321 177.371 175.900 0.250 0.000 1.181 314 Y CA 0.217 58.419 58.100 0.170 0.000 1.256 314 Y CB -0.140 38.419 38.460 0.165 0.000 1.112 314 Y HN 0.275 nan 8.280 nan 0.000 0.521 315 S N -0.576 115.264 115.700 0.233 0.000 3.146 315 S HA -0.274 4.196 4.470 -0.000 0.000 0.285 315 S C 0.635 175.287 174.600 0.087 0.000 1.293 315 S CA 1.031 59.354 58.200 0.204 0.000 1.137 315 S CB -1.028 62.347 63.200 0.291 0.000 1.357 315 S HN 0.590 nan 8.310 nan 0.000 0.678 316 K N 1.935 122.259 120.400 -0.128 0.000 2.202 316 K HA 0.364 4.684 4.320 -0.000 0.000 0.264 316 K C 1.080 177.519 176.600 -0.268 0.000 1.010 316 K CA 0.395 56.313 56.287 -0.614 0.000 0.940 316 K CB 0.594 32.698 32.500 -0.660 0.000 0.983 316 K HN 0.385 nan 8.250 nan 0.000 0.475 317 T N -0.751 113.654 114.554 -0.247 0.000 2.924 317 T HA 0.054 4.403 4.350 -0.000 0.000 0.301 317 T C 1.160 175.799 174.700 -0.101 0.000 1.120 317 T CA -0.352 61.678 62.100 -0.117 0.000 0.940 317 T CB 0.249 69.073 68.868 -0.074 0.000 1.591 317 T HN 0.747 nan 8.240 nan 0.000 0.578 318 N N -0.354 118.310 118.700 -0.061 0.000 2.461 318 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 318 N C -0.366 175.117 175.510 -0.045 0.000 1.134 318 N CA -0.063 52.960 53.050 -0.046 0.000 0.878 318 N CB -0.131 38.339 38.487 -0.028 0.000 0.972 318 N HN 0.346 nan 8.380 nan 0.000 0.456 319 V N 1.616 121.497 119.914 -0.056 0.000 2.378 319 V HA 0.112 4.232 4.120 -0.000 0.000 0.288 319 V C 0.720 176.780 176.094 -0.057 0.000 1.016 319 V CA -0.788 61.484 62.300 -0.047 0.000 0.840 319 V CB 1.686 33.482 31.823 -0.046 0.000 0.994 319 V HN 0.051 nan 8.190 nan 0.000 0.431 320 D N 3.474 123.852 120.400 -0.037 0.000 2.239 320 D HA -0.166 4.474 4.640 -0.000 0.000 0.202 320 D C 1.288 177.645 176.300 0.095 0.000 0.993 320 D CA 1.797 55.792 54.000 -0.008 0.000 0.874 320 D CB 0.259 41.067 40.800 0.015 0.000 0.922 320 D HN 0.780 nan 8.370 nan 0.000 0.464 321 N N 0.243 118.996 118.700 0.087 0.000 2.203 321 N HA 0.019 4.759 4.740 -0.000 0.000 0.207 321 N C 0.117 175.831 175.510 0.340 0.000 1.130 321 N CA -0.078 53.106 53.050 0.223 0.000 0.861 321 N CB 0.598 39.001 38.487 -0.140 0.000 1.005 321 N HN 0.139 nan 8.380 nan 0.000 0.507 322 I N 1.731 122.413 120.570 0.187 0.000 2.355 322 I HA 0.299 4.468 4.170 -0.000 0.000 0.288 322 I C -0.855 175.347 176.117 0.142 0.000 0.999 322 I CA -0.792 60.611 61.300 0.173 0.000 1.163 322 I CB 0.602 38.622 38.000 0.033 0.000 1.316 322 I HN -0.153 nan 8.210 nan 0.000 0.454 323 Y N 4.386 124.710 120.300 0.040 0.000 2.567 323 Y HA 0.802 5.352 4.550 -0.000 0.000 0.333 323 Y C 0.302 176.141 175.900 -0.102 0.000 1.106 323 Y CA -1.162 56.925 58.100 -0.020 0.000 1.157 323 Y CB 1.858 40.282 38.460 -0.060 0.000 1.277 323 Y HN 0.534 nan 8.280 nan 0.000 0.490 324 A N 2.315 125.174 122.820 0.065 0.000 2.486 324 A HA 0.854 5.174 4.320 -0.000 0.000 0.300 324 A C -1.177 176.417 177.584 0.017 0.000 1.048 324 A CA -0.624 51.417 52.037 0.007 0.000 0.696 324 A CB 1.081 20.087 19.000 0.009 0.000 1.278 324 A HN 0.746 nan 8.150 nan 0.000 0.405 325 I N -1.057 119.512 120.570 -0.002 0.000 3.174 325 I HA 0.950 5.120 4.170 -0.000 0.000 0.313 325 I C 0.435 176.576 176.117 0.040 0.000 1.155 325 I CA -0.295 61.022 61.300 0.029 0.000 0.977 325 I CB 1.993 40.004 38.000 0.018 0.000 1.248 325 I HN 1.961 nan 8.210 nan 0.000 0.453 326 G N 2.796 111.634 108.800 0.064 0.000 2.527 326 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.227 326 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.227 326 G C -0.085 174.857 174.900 0.070 0.000 1.291 326 G CA 0.485 45.627 45.100 0.070 0.000 0.904 326 G HN 0.803 nan 8.290 nan 0.000 0.577 327 D N -0.482 119.965 120.400 0.078 0.000 2.218 327 D HA -0.009 4.630 4.640 -0.000 0.000 0.204 327 D C 2.410 178.754 176.300 0.074 0.000 0.976 327 D CA 1.266 55.316 54.000 0.084 0.000 0.853 327 D CB -0.158 40.706 40.800 0.106 0.000 0.939 327 D HN 0.479 nan 8.370 nan 0.000 0.481 328 V N 1.055 121.008 119.914 0.064 0.000 2.970 328 V HA -0.137 3.983 4.120 -0.000 0.000 0.260 328 V C 1.902 178.019 176.094 0.039 0.000 1.100 328 V CA 2.065 64.398 62.300 0.055 0.000 1.122 328 V CB -0.531 31.319 31.823 0.045 0.000 0.721 328 V HN 0.334 nan 8.190 nan 0.000 0.483 329 T N -3.110 111.463 114.554 0.032 0.000 3.100 329 T HA 0.048 4.398 4.350 -0.000 0.000 0.253 329 T C 0.886 175.588 174.700 0.003 0.000 1.118 329 T CA 0.530 62.639 62.100 0.014 0.000 1.058 329 T CB -0.337 68.538 68.868 0.011 0.000 0.953 329 T HN 0.487 nan 8.240 nan 0.000 0.515 330 D N 0.961 121.372 120.400 0.019 0.000 2.812 330 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 330 D C 0.663 176.956 176.300 -0.013 0.000 1.162 330 D CA 0.501 54.512 54.000 0.019 0.000 0.740 330 D CB -0.859 39.957 40.800 0.027 0.000 1.000 330 D HN 0.546 nan 8.370 nan 0.000 0.416 331 R N -0.535 119.944 120.500 -0.035 0.000 1.933 331 R HA 0.517 4.857 4.340 -0.000 0.000 0.167 331 R C 0.078 176.359 176.300 -0.032 0.000 1.823 331 R CA 0.261 56.298 56.100 -0.105 0.000 1.418 331 R CB 0.633 30.763 30.300 -0.283 0.000 1.174 331 R HN 0.062 nan 8.270 nan 0.000 0.476 332 V N 2.353 122.283 119.914 0.028 0.000 2.349 332 V HA 0.305 4.425 4.120 -0.000 0.000 0.284 332 V C -0.574 175.574 176.094 0.090 0.000 1.014 332 V CA -0.288 62.058 62.300 0.077 0.000 0.826 332 V CB 1.568 33.470 31.823 0.132 0.000 1.009 332 V HN 0.362 nan 8.190 nan 0.000 0.431 333 M N 6.881 126.536 119.600 0.091 0.000 3.254 333 M HA 0.394 4.874 4.480 -0.000 0.000 0.257 333 M C -1.000 175.367 176.300 0.113 0.000 1.490 333 M CA 0.575 55.941 55.300 0.110 0.000 1.620 333 M CB -0.392 32.286 32.600 0.131 0.000 1.157 333 M HN 0.421 nan 8.290 nan 0.000 0.541 334 L N -0.168 121.108 121.223 0.089 0.000 2.422 334 L HA 0.368 4.708 4.340 -0.000 0.000 0.264 334 L C 1.131 178.043 176.870 0.070 0.000 0.984 334 L CA -0.553 54.328 54.840 0.069 0.000 0.819 334 L CB 2.276 44.354 42.059 0.032 0.000 1.330 334 L HN 0.264 nan 8.230 nan 0.000 0.410 335 T N 1.265 115.859 114.554 0.068 0.000 2.684 335 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 335 T C -1.122 173.607 174.700 0.048 0.000 1.036 335 T CA 1.902 64.039 62.100 0.061 0.000 1.148 335 T CB -0.514 68.387 68.868 0.055 0.000 0.863 335 T HN 0.481 nan 8.240 nan 0.000 0.436 336 P HA 0.033 nan 4.420 nan 0.000 0.222 336 P C 1.415 178.729 177.300 0.023 0.000 1.147 336 P CA 0.475 63.590 63.100 0.026 0.000 0.790 336 P CB -0.119 31.591 31.700 0.016 0.000 0.780 337 V N 0.047 119.981 119.914 0.033 0.000 2.453 337 V HA -0.167 3.952 4.120 -0.000 0.000 0.247 337 V C 2.464 178.594 176.094 0.060 0.000 1.048 337 V CA 2.003 64.325 62.300 0.037 0.000 1.049 337 V CB -1.650 30.220 31.823 0.078 0.000 0.672 337 V HN 0.097 nan 8.190 nan 0.000 0.457 338 A N 0.143 123.005 122.820 0.071 0.000 1.902 338 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 338 A C 2.184 179.808 177.584 0.067 0.000 1.181 338 A CA 1.821 53.902 52.037 0.074 0.000 0.623 338 A CB -0.528 18.513 19.000 0.069 0.000 0.818 338 A HN 0.487 nan 8.150 nan 0.000 0.443 339 I N -0.058 120.546 120.570 0.057 0.000 2.226 339 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 339 I C 2.543 178.698 176.117 0.063 0.000 1.100 339 I CA 1.376 62.712 61.300 0.059 0.000 1.374 339 I CB -0.363 37.664 38.000 0.046 0.000 1.057 339 I HN 0.458 nan 8.210 nan 0.000 0.413 340 N N 1.023 119.749 118.700 0.043 0.000 2.106 340 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 340 N C 1.747 177.287 175.510 0.050 0.000 1.029 340 N CA 1.570 54.638 53.050 0.030 0.000 0.848 340 N CB 0.033 38.509 38.487 -0.018 0.000 1.007 340 N HN 0.404 nan 8.380 nan 0.000 0.423 341 E N -0.284 119.952 120.200 0.059 0.000 2.118 341 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 341 E C 1.957 178.644 176.600 0.145 0.000 0.992 341 E CA 1.019 57.481 56.400 0.104 0.000 0.804 341 E CB -0.341 29.434 29.700 0.124 0.000 0.741 341 E HN 0.457 nan 8.360 nan 0.000 0.458 342 G N 1.236 110.110 108.800 0.124 0.000 2.446 342 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 342 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 342 G C 1.677 176.706 174.900 0.215 0.000 1.168 342 G CA 1.000 46.193 45.100 0.156 0.000 0.771 342 G HN 0.370 nan 8.290 nan 0.000 0.551 343 A N 0.992 123.907 122.820 0.159 0.000 1.897 343 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 343 A C 2.826 180.494 177.584 0.139 0.000 1.181 343 A CA 2.018 54.145 52.037 0.150 0.000 0.620 343 A CB -0.795 18.271 19.000 0.110 0.000 0.821 343 A HN 0.804 nan 8.150 nan 0.000 0.443 344 A N -0.702 122.193 122.820 0.125 0.000 1.908 344 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 344 A C 2.027 179.690 177.584 0.132 0.000 1.181 344 A CA 1.759 53.864 52.037 0.114 0.000 0.627 344 A CB -0.849 18.212 19.000 0.102 0.000 0.818 344 A HN 0.807 nan 8.150 nan 0.000 0.445 345 F N 0.977 120.944 119.950 0.028 0.000 2.091 345 F HA -0.215 4.311 4.527 -0.000 0.000 0.299 345 F C 2.109 177.837 175.800 -0.121 0.000 1.103 345 F CA 2.250 60.209 58.000 -0.069 0.000 1.228 345 F CB -0.450 38.507 39.000 -0.071 0.000 0.984 345 F HN 0.032 nan 8.300 nan 0.000 0.477 346 V N 0.416 120.236 119.914 -0.157 0.000 2.453 346 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 346 V C 2.149 178.155 176.094 -0.147 0.000 1.048 346 V CA 1.948 64.168 62.300 -0.134 0.000 1.049 346 V CB -0.770 31.166 31.823 0.189 0.000 0.672 346 V HN 0.263 nan 8.190 nan 0.000 0.457 347 D N 0.272 120.640 120.400 -0.054 0.000 2.116 347 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 347 D C 2.276 178.487 176.300 -0.148 0.000 0.998 347 D CA 2.069 56.036 54.000 -0.053 0.000 0.836 347 D CB -0.377 40.433 40.800 0.018 0.000 0.951 347 D HN 0.391 nan 8.370 nan 0.000 0.449 348 T N 0.384 114.835 114.554 -0.172 0.000 2.614 348 T HA -0.086 4.264 4.350 -0.000 0.000 0.263 348 T C 2.244 176.695 174.700 -0.414 0.000 1.055 348 T CA 1.095 63.072 62.100 -0.204 0.000 1.162 348 T CB -0.450 68.376 68.868 -0.070 0.000 0.863 348 T HN -0.056 nan 8.240 nan 0.000 0.414 349 V N 0.145 119.591 119.914 -0.780 0.000 2.379 349 V HA -0.002 4.117 4.120 -0.000 0.000 0.245 349 V C 1.802 177.276 176.094 -1.033 0.000 1.044 349 V CA 1.587 63.208 62.300 -1.131 0.000 1.036 349 V CB -0.506 30.087 31.823 -2.050 0.000 0.664 349 V HN 0.431 nan 8.190 nan 0.000 0.453 350 F N -0.737 118.874 119.950 -0.566 0.000 2.724 350 F HA 0.500 5.027 4.527 -0.000 0.000 0.306 350 F C 1.663 177.108 175.800 -0.591 0.000 1.100 350 F CA 0.570 58.259 58.000 -0.518 0.000 1.255 350 F CB 0.006 38.675 39.000 -0.552 0.000 1.072 350 F HN 0.053 nan 8.300 nan 0.000 0.589 351 A N -0.647 121.951 122.820 -0.370 0.000 2.538 351 A HA 0.199 4.519 4.320 -0.000 0.000 0.269 351 A C 0.655 178.149 177.584 -0.150 0.000 1.231 351 A CA -0.263 51.595 52.037 -0.299 0.000 0.948 351 A CB -0.532 18.351 19.000 -0.195 0.000 1.110 351 A HN 0.215 nan 8.150 nan 0.000 0.529 352 N N 0.816 119.418 118.700 -0.163 0.000 2.745 352 N HA -0.183 4.557 4.740 -0.000 0.000 0.271 352 N C -0.091 175.378 175.510 -0.068 0.000 0.960 352 N CA 1.313 54.294 53.050 -0.115 0.000 0.833 352 N CB -0.396 38.036 38.487 -0.091 0.000 0.919 352 N HN 0.716 nan 8.380 nan 0.000 0.566 353 K N 0.959 121.320 120.400 -0.064 0.000 2.920 353 K HA 0.217 4.536 4.320 -0.000 0.000 0.175 353 K C -2.762 173.837 176.600 -0.002 0.000 1.099 353 K CA -1.394 54.880 56.287 -0.020 0.000 0.939 353 K CB 1.139 33.636 32.500 -0.004 0.000 1.148 353 K HN -0.084 nan 8.250 nan 0.000 0.613 354 P HA 0.106 nan 4.420 nan 0.000 0.274 354 P C -1.037 176.379 177.300 0.193 0.000 1.291 354 P CA -0.100 63.041 63.100 0.068 0.000 0.815 354 P CB 0.459 32.147 31.700 -0.019 0.000 0.897 355 R N 2.491 123.106 120.500 0.191 0.000 2.668 355 R HA 0.816 5.155 4.340 -0.000 0.000 0.279 355 R C -0.252 176.105 176.300 0.095 0.000 0.976 355 R CA -1.024 55.159 56.100 0.137 0.000 0.978 355 R CB 1.960 32.301 30.300 0.069 0.000 1.133 355 R HN 0.379 nan 8.270 nan 0.000 0.484 356 A N 1.246 124.019 122.820 -0.079 0.000 2.350 356 A HA 0.469 4.789 4.320 -0.000 0.000 0.324 356 A C -0.351 177.164 177.584 -0.115 0.000 1.118 356 A CA -0.659 51.233 52.037 -0.242 0.000 0.783 356 A CB 1.480 20.202 19.000 -0.464 0.000 1.236 356 A HN 0.602 nan 8.150 nan 0.000 0.457 357 T N 1.551 116.046 114.554 -0.097 0.000 2.901 357 T HA 0.214 4.563 4.350 -0.000 0.000 0.301 357 T C -0.321 174.212 174.700 -0.278 0.000 1.012 357 T CA 0.453 62.436 62.100 -0.194 0.000 1.135 357 T CB 0.451 69.156 68.868 -0.271 0.000 0.936 357 T HN 0.604 nan 8.240 nan 0.000 0.539 358 D N 1.118 121.366 120.400 -0.253 0.000 2.380 358 D HA 0.157 4.797 4.640 -0.000 0.000 0.230 358 D C 0.305 176.451 176.300 -0.256 0.000 1.154 358 D CA -0.362 53.536 54.000 -0.170 0.000 0.859 358 D CB 0.441 41.187 40.800 -0.091 0.000 1.045 358 D HN 0.532 nan 8.370 nan 0.000 0.495 359 H N 0.814 119.874 119.070 -0.017 0.000 2.524 359 H HA 0.158 4.714 4.556 -0.000 0.000 0.280 359 H C 0.484 175.798 175.328 -0.024 0.000 1.018 359 H CA 0.046 56.084 56.048 -0.016 0.000 1.165 359 H CB 0.115 29.872 29.762 -0.009 0.000 1.411 359 H HN 0.244 nan 8.280 nan 0.000 0.569 360 T N -1.474 113.105 114.554 0.040 0.000 2.922 360 T HA 0.224 4.574 4.350 -0.000 0.000 0.285 360 T C 0.393 175.053 174.700 -0.066 0.000 1.005 360 T CA -1.137 60.962 62.100 -0.002 0.000 1.061 360 T CB 1.416 70.300 68.868 0.026 0.000 1.007 360 T HN 0.254 nan 8.240 nan 0.000 0.502 361 K N 0.034 120.347 120.400 -0.146 0.000 3.077 361 K HA -0.112 4.208 4.320 -0.000 0.000 0.264 361 K C -0.620 175.915 176.600 -0.108 0.000 1.008 361 K CA 0.153 56.347 56.287 -0.155 0.000 0.740 361 K CB -1.860 30.565 32.500 -0.124 0.000 1.273 361 K HN 0.553 nan 8.250 nan 0.000 0.477 362 V N 1.063 120.919 119.914 -0.098 0.000 2.406 362 V HA 0.372 4.492 4.120 -0.000 0.000 0.272 362 V C 0.850 176.893 176.094 -0.086 0.000 1.043 362 V CA -0.202 62.054 62.300 -0.072 0.000 0.915 362 V CB 1.331 33.128 31.823 -0.043 0.000 0.988 362 V HN 0.416 nan 8.190 nan 0.000 0.466 363 A N 5.039 127.815 122.820 -0.073 0.000 2.351 363 A HA 0.706 5.026 4.320 -0.000 0.000 0.257 363 A C 0.189 177.736 177.584 -0.062 0.000 1.087 363 A CA -0.055 51.938 52.037 -0.073 0.000 0.798 363 A CB 0.409 19.374 19.000 -0.058 0.000 1.033 363 A HN 1.404 nan 8.150 nan 0.000 0.488 364 C N -0.912 118.351 119.300 -0.063 0.000 3.239 364 C HA 0.914 5.374 4.460 -0.000 0.000 0.317 364 C C -0.045 174.910 174.990 -0.058 0.000 1.310 364 C CA -0.236 58.748 59.018 -0.058 0.000 1.371 364 C CB 0.892 28.588 27.740 -0.073 0.000 1.714 364 C HN 1.717 nan 8.230 nan 0.000 0.473 365 A N 0.904 123.657 122.820 -0.111 0.000 2.337 365 A HA 0.890 5.210 4.320 -0.000 0.000 0.331 365 A C -0.876 176.552 177.584 -0.260 0.000 1.137 365 A CA -0.576 51.309 52.037 -0.253 0.000 0.807 365 A CB 1.176 19.876 19.000 -0.501 0.000 1.250 365 A HN 1.567 nan 8.150 nan 0.000 0.468 366 V N 1.141 120.867 119.914 -0.313 0.000 2.487 366 V HA 0.336 4.456 4.120 -0.000 0.000 0.298 366 V C -0.978 174.942 176.094 -0.289 0.000 1.028 366 V CA -0.048 62.137 62.300 -0.191 0.000 0.860 366 V CB 1.148 32.849 31.823 -0.204 0.000 0.991 366 V HN 0.775 nan 8.190 nan 0.000 0.427 367 F N 2.975 122.912 119.950 -0.022 0.000 2.980 367 F HA 0.233 4.760 4.527 -0.000 0.000 0.299 367 F C 1.507 177.271 175.800 -0.060 0.000 1.211 367 F CA -0.331 57.644 58.000 -0.041 0.000 1.328 367 F CB 0.158 39.135 39.000 -0.039 0.000 1.154 367 F HN 0.569 nan 8.300 nan 0.000 0.528 368 S N -0.190 115.523 115.700 0.022 0.000 2.617 368 S HA 0.469 4.939 4.470 -0.000 0.000 0.255 368 S C -0.109 174.487 174.600 -0.006 0.000 1.318 368 S CA -0.580 57.611 58.200 -0.015 0.000 0.978 368 S CB 1.165 64.326 63.200 -0.065 0.000 0.961 368 S HN 0.250 nan 8.310 nan 0.000 0.582 369 I N 2.415 122.981 120.570 -0.007 0.000 2.390 369 I HA 0.349 4.519 4.170 -0.000 0.000 0.283 369 I C -2.177 173.945 176.117 0.009 0.000 1.016 369 I CA -2.088 59.214 61.300 0.004 0.000 1.151 369 I CB 1.690 39.697 38.000 0.012 0.000 1.293 369 I HN 0.533 nan 8.210 nan 0.000 0.458 370 P HA 0.446 nan 4.420 nan 0.000 0.282 370 P C -2.820 174.439 177.300 -0.068 0.000 1.259 370 P CA -1.740 61.344 63.100 -0.027 0.000 0.826 370 P CB 1.194 32.877 31.700 -0.029 0.000 1.064 371 P HA 0.433 nan 4.420 nan 0.000 0.297 371 P C -0.630 176.553 177.300 -0.194 0.000 1.307 371 P CA -0.390 62.611 63.100 -0.165 0.000 0.773 371 P CB 1.068 32.642 31.700 -0.210 0.000 1.265 372 M N -1.218 118.239 119.600 -0.237 0.000 2.550 372 M HA 0.610 5.089 4.480 -0.000 0.000 0.292 372 M C -0.313 175.880 176.300 -0.178 0.000 1.221 372 M CA -0.387 54.803 55.300 -0.182 0.000 0.873 372 M CB 2.909 35.432 32.600 -0.128 0.000 1.727 372 M HN 0.414 nan 8.290 nan 0.000 0.459 373 G N 0.926 109.664 108.800 -0.103 0.000 2.687 373 G HA2 0.720 4.680 3.960 -0.000 0.000 0.301 373 G HA3 0.720 4.680 3.960 -0.000 0.000 0.301 373 G C -2.030 172.866 174.900 -0.008 0.000 1.416 373 G CA -0.467 44.589 45.100 -0.074 0.000 1.005 373 G HN 0.542 nan 8.290 nan 0.000 0.509 374 V N 0.747 120.665 119.914 0.006 0.000 2.971 374 V HA 0.761 4.881 4.120 -0.000 0.000 0.309 374 V C -1.017 175.025 176.094 -0.086 0.000 1.130 374 V CA -0.594 61.718 62.300 0.020 0.000 0.964 374 V CB 2.220 34.138 31.823 0.158 0.000 1.029 374 V HN 1.058 nan 8.190 nan 0.000 0.427 375 C N 3.973 123.158 119.300 -0.191 0.000 2.871 375 C HA 0.821 5.281 4.460 -0.000 0.000 0.378 375 C C 0.235 175.054 174.990 -0.284 0.000 1.052 375 C CA 0.533 59.434 59.018 -0.195 0.000 1.250 375 C CB 0.283 27.938 27.740 -0.142 0.000 1.689 375 C HN 2.173 nan 8.230 nan 0.000 0.506 376 G N 4.222 112.852 108.800 -0.284 0.000 2.698 376 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.225 376 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.225 376 G C -1.103 173.615 174.900 -0.304 0.000 1.345 376 G CA -0.206 44.653 45.100 -0.401 0.000 0.871 376 G HN 1.107 nan 8.290 nan 0.000 0.540 377 Y N -1.082 119.243 120.300 0.041 0.000 2.326 377 Y HA 0.483 5.033 4.550 -0.000 0.000 0.333 377 Y C 1.370 177.401 175.900 0.218 0.000 1.240 377 Y CA -0.240 57.917 58.100 0.097 0.000 1.365 377 Y CB 0.888 39.394 38.460 0.077 0.000 1.289 377 Y HN 0.453 nan 8.280 nan 0.000 0.548 378 V N 3.247 123.326 119.914 0.274 0.000 2.686 378 V HA 0.021 4.141 4.120 -0.000 0.000 0.295 378 V C 1.101 177.241 176.094 0.076 0.000 1.057 378 V CA -0.382 61.952 62.300 0.056 0.000 1.012 378 V CB 1.415 33.213 31.823 -0.042 0.000 1.006 378 V HN 1.011 nan 8.190 nan 0.000 0.477 379 E N 3.199 123.417 120.200 0.030 0.000 2.267 379 E HA -0.231 4.118 4.350 -0.000 0.000 0.197 379 E C 1.096 177.566 176.600 -0.217 0.000 0.998 379 E CA 1.459 57.841 56.400 -0.029 0.000 0.830 379 E CB -0.009 29.733 29.700 0.069 0.000 0.751 379 E HN 0.833 nan 8.360 nan 0.000 0.491 380 E N 1.556 121.677 120.200 -0.132 0.000 2.158 380 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 380 E C 1.500 178.023 176.600 -0.128 0.000 0.982 380 E CA 0.731 57.029 56.400 -0.170 0.000 0.823 380 E CB -0.298 29.368 29.700 -0.057 0.000 0.766 380 E HN 0.367 nan 8.360 nan 0.000 0.468 381 D N 1.537 121.905 120.400 -0.054 0.000 2.084 381 D HA -0.062 4.578 4.640 -0.000 0.000 0.196 381 D C 1.957 178.204 176.300 -0.088 0.000 0.985 381 D CA 1.718 55.693 54.000 -0.042 0.000 0.826 381 D CB 0.014 40.848 40.800 0.056 0.000 0.978 381 D HN 0.202 nan 8.370 nan 0.000 0.456 382 A N 1.288 124.087 122.820 -0.035 0.000 1.940 382 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 382 A C 2.263 179.868 177.584 0.035 0.000 1.176 382 A CA 2.137 54.202 52.037 0.048 0.000 0.631 382 A CB -0.591 18.455 19.000 0.077 0.000 0.814 382 A HN 0.262 nan 8.150 nan 0.000 0.446 383 A N 0.064 122.788 122.820 -0.161 0.000 2.172 383 A HA -0.050 4.269 4.320 -0.000 0.000 0.216 383 A C 1.754 179.285 177.584 -0.088 0.000 1.154 383 A CA 1.565 53.477 52.037 -0.208 0.000 0.701 383 A CB -0.415 18.202 19.000 -0.638 0.000 0.789 383 A HN 0.740 nan 8.150 nan 0.000 0.465 384 K N -2.171 118.172 120.400 -0.095 0.000 2.438 384 K HA 0.390 4.709 4.320 -0.000 0.000 0.205 384 K C 0.850 177.367 176.600 -0.138 0.000 1.033 384 K CA -0.003 56.233 56.287 -0.085 0.000 1.089 384 K CB 0.419 32.874 32.500 -0.075 0.000 0.857 384 K HN 0.056 nan 8.250 nan 0.000 0.522 385 K N -0.113 120.170 120.400 -0.194 0.000 2.344 385 K HA 0.255 4.575 4.320 -0.000 0.000 0.200 385 K C -0.552 175.693 176.600 -0.593 0.000 1.132 385 K CA 0.527 56.556 56.287 -0.431 0.000 0.935 385 K CB 0.365 32.500 32.500 -0.608 0.000 1.089 385 K HN 0.045 nan 8.250 nan 0.000 0.496 386 Y N 0.129 120.393 120.300 -0.060 0.000 2.496 386 Y HA 0.178 4.728 4.550 -0.000 0.000 0.331 386 Y C 0.838 176.750 175.900 0.020 0.000 1.140 386 Y CA -0.800 57.293 58.100 -0.011 0.000 1.166 386 Y CB 1.507 39.972 38.460 0.007 0.000 1.249 386 Y HN -0.087 nan 8.280 nan 0.000 0.479 387 D N -0.057 120.448 120.400 0.176 0.000 2.120 387 D HA -0.049 4.591 4.640 -0.000 0.000 0.202 387 D C -0.311 176.084 176.300 0.159 0.000 0.972 387 D CA 1.480 55.557 54.000 0.129 0.000 0.837 387 D CB 0.325 41.185 40.800 0.101 0.000 0.989 387 D HN 0.528 nan 8.370 nan 0.000 0.469 388 Q N 0.103 120.023 119.800 0.200 0.000 2.327 388 Q HA 0.516 4.855 4.340 -0.000 0.000 0.270 388 Q C -1.515 174.650 176.000 0.275 0.000 1.022 388 Q CA -0.526 55.405 55.803 0.212 0.000 0.773 388 Q CB 3.075 31.939 28.738 0.209 0.000 1.251 388 Q HN -0.081 nan 8.270 nan 0.000 0.457 389 V N 1.489 121.585 119.914 0.304 0.000 2.604 389 V HA 0.805 4.925 4.120 -0.000 0.000 0.305 389 V C -0.630 175.637 176.094 0.290 0.000 1.043 389 V CA -0.672 61.799 62.300 0.286 0.000 0.888 389 V CB 1.779 33.775 31.823 0.288 0.000 0.995 389 V HN 0.815 nan 8.190 nan 0.000 0.429 390 A N 4.269 127.203 122.820 0.191 0.000 2.350 390 A HA 0.882 5.202 4.320 -0.000 0.000 0.324 390 A C -0.943 176.542 177.584 -0.165 0.000 1.118 390 A CA -0.566 51.416 52.037 -0.091 0.000 0.783 390 A CB 1.700 20.671 19.000 -0.050 0.000 1.236 390 A HN 0.682 nan 8.150 nan 0.000 0.457 391 V N 2.895 122.489 119.914 -0.533 0.000 2.378 391 V HA 0.334 4.454 4.120 -0.000 0.000 0.288 391 V C -1.289 174.498 176.094 -0.512 0.000 1.016 391 V CA -0.387 61.633 62.300 -0.465 0.000 0.840 391 V CB 0.467 31.784 31.823 -0.843 0.000 0.994 391 V HN 0.737 nan 8.190 nan 0.000 0.431 392 Y N 2.887 123.052 120.300 -0.224 0.000 2.323 392 Y HA 0.650 5.199 4.550 -0.000 0.000 0.331 392 Y C 0.396 176.268 175.900 -0.047 0.000 1.092 392 Y CA -0.602 57.423 58.100 -0.125 0.000 1.150 392 Y CB 1.411 39.840 38.460 -0.052 0.000 1.200 392 Y HN 0.714 nan 8.280 nan 0.000 0.472 393 E N 1.225 121.504 120.200 0.131 0.000 2.393 393 E HA 0.724 5.073 4.350 -0.000 0.000 0.273 393 E C -1.607 175.092 176.600 0.165 0.000 0.918 393 E CA -0.731 55.755 56.400 0.143 0.000 0.773 393 E CB 2.075 31.848 29.700 0.121 0.000 1.275 393 E HN 0.499 nan 8.360 nan 0.000 0.451 394 S N 1.410 117.226 115.700 0.194 0.000 2.535 394 S HA 0.518 4.987 4.470 -0.000 0.000 0.272 394 S C -1.875 172.906 174.600 0.301 0.000 1.149 394 S CA -0.525 57.821 58.200 0.243 0.000 0.888 394 S CB 1.820 65.177 63.200 0.262 0.000 1.110 394 S HN 0.346 nan 8.310 nan 0.000 0.463 395 S N 2.711 118.612 115.700 0.334 0.000 2.571 395 S HA 0.943 5.413 4.470 -0.000 0.000 0.284 395 S C -1.640 173.230 174.600 0.449 0.000 1.128 395 S CA -0.567 57.803 58.200 0.283 0.000 0.970 395 S CB 0.574 63.880 63.200 0.176 0.000 1.039 395 S HN 0.742 nan 8.310 nan 0.000 0.485 396 F N -0.403 119.639 119.950 0.152 0.000 2.719 396 F HA 0.596 5.123 4.527 -0.000 0.000 0.309 396 F C -0.743 175.140 175.800 0.139 0.000 1.138 396 F CA -0.960 57.117 58.000 0.127 0.000 0.943 396 F CB 0.877 39.944 39.000 0.113 0.000 1.304 396 F HN 0.229 nan 8.300 nan 0.000 0.445 397 T N 2.719 117.415 114.554 0.236 0.000 2.801 397 T HA 0.457 4.806 4.350 -0.000 0.000 0.306 397 T C -2.762 172.067 174.700 0.214 0.000 1.020 397 T CA -1.204 60.982 62.100 0.143 0.000 0.948 397 T CB 0.723 69.665 68.868 0.123 0.000 0.962 397 T HN 0.336 nan 8.240 nan 0.000 0.465 398 P HA -0.055 nan 4.420 nan 0.000 0.257 398 P C 1.199 178.546 177.300 0.078 0.000 1.144 398 P CA 0.089 63.271 63.100 0.136 0.000 0.761 398 P CB 0.422 32.117 31.700 -0.009 0.000 0.734 399 L N 3.265 124.534 121.223 0.077 0.000 2.137 399 L HA -0.250 4.090 4.340 -0.000 0.000 0.213 399 L C 2.108 179.007 176.870 0.047 0.000 1.085 399 L CA 1.767 56.644 54.840 0.061 0.000 0.760 399 L CB -0.327 41.760 42.059 0.045 0.000 0.893 399 L HN 0.531 nan 8.230 nan 0.000 0.434 400 M N -0.865 118.743 119.600 0.013 0.000 2.103 400 M HA -0.321 4.159 4.480 -0.000 0.000 0.255 400 M C 1.883 178.228 176.300 0.074 0.000 1.074 400 M CA 1.964 57.297 55.300 0.055 0.000 1.090 400 M CB -0.466 32.041 32.600 -0.155 0.000 1.325 400 M HN 0.316 nan 8.290 nan 0.000 0.403 401 H N -0.054 119.066 119.070 0.084 0.000 2.555 401 H HA 0.070 4.626 4.556 -0.000 0.000 0.269 401 H C 1.142 176.471 175.328 0.002 0.000 0.988 401 H CA 1.136 57.199 56.048 0.025 0.000 1.178 401 H CB -0.690 29.053 29.762 -0.031 0.000 1.373 401 H HN 0.654 nan 8.280 nan 0.000 0.588 402 N N -0.245 118.525 118.700 0.116 0.000 2.446 402 N HA 0.035 4.775 4.740 -0.000 0.000 0.179 402 N C 1.443 176.950 175.510 -0.005 0.000 1.054 402 N CA 0.174 53.257 53.050 0.054 0.000 0.905 402 N CB 0.450 38.962 38.487 0.041 0.000 0.973 402 N HN 0.234 nan 8.380 nan 0.000 0.448 403 I N -0.150 120.387 120.570 -0.056 0.000 2.585 403 I HA -0.104 4.066 4.170 -0.000 0.000 0.254 403 I C 2.034 178.023 176.117 -0.213 0.000 1.129 403 I CA 0.626 61.785 61.300 -0.235 0.000 1.455 403 I CB -0.042 37.646 38.000 -0.521 0.000 1.111 403 I HN 0.145 nan 8.210 nan 0.000 0.433 404 S N 0.301 116.001 115.700 -0.001 0.000 2.527 404 S HA 0.127 4.597 4.470 -0.000 0.000 0.222 404 S C 1.744 176.405 174.600 0.102 0.000 0.985 404 S CA 0.578 58.867 58.200 0.148 0.000 0.921 404 S CB 0.236 63.677 63.200 0.402 0.000 0.772 404 S HN 0.594 nan 8.310 nan 0.000 0.529 405 G N 0.686 109.523 108.800 0.062 0.000 2.199 405 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 405 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 405 G C 0.271 175.187 174.900 0.027 0.000 0.982 405 G CA 0.141 45.269 45.100 0.047 0.000 0.632 405 G HN 0.818 nan 8.290 nan 0.000 0.529 406 S N 1.766 117.411 115.700 -0.093 0.000 3.334 406 S HA 0.410 4.880 4.470 -0.000 0.000 0.188 406 S C 1.525 175.815 174.600 -0.517 0.000 1.404 406 S CA 0.513 58.468 58.200 -0.408 0.000 1.040 406 S CB 0.685 63.445 63.200 -0.733 0.000 1.352 406 S HN 0.789 nan 8.310 nan 0.000 0.501 407 T N -0.739 113.733 114.554 -0.137 0.000 2.962 407 T HA -0.192 4.157 4.350 -0.000 0.000 0.270 407 T C 1.603 176.285 174.700 -0.031 0.000 1.088 407 T CA 0.847 62.925 62.100 -0.037 0.000 1.127 407 T CB -0.854 68.043 68.868 0.048 0.000 0.883 407 T HN 0.741 nan 8.240 nan 0.000 0.493 408 Y N 1.268 121.538 120.300 -0.049 0.000 2.574 408 Y HA 0.336 4.886 4.550 -0.000 0.000 0.294 408 Y C 0.881 176.739 175.900 -0.070 0.000 1.142 408 Y CA -0.687 57.384 58.100 -0.049 0.000 1.314 408 Y CB -0.596 37.833 38.460 -0.053 0.000 0.991 408 Y HN 0.025 nan 8.280 nan 0.000 0.555 409 K N 2.391 122.497 120.400 -0.490 0.000 2.111 409 K HA 0.106 4.426 4.320 -0.000 0.000 0.249 409 K C -0.574 175.970 176.600 -0.093 0.000 1.157 409 K CA -0.192 55.882 56.287 -0.354 0.000 1.048 409 K CB 0.110 32.207 32.500 -0.673 0.000 1.498 409 K HN 0.042 nan 8.250 nan 0.000 0.344 410 K N 1.817 122.184 120.400 -0.054 0.000 2.349 410 K HA 0.111 4.431 4.320 -0.000 0.000 0.288 410 K C -0.402 176.125 176.600 -0.122 0.000 1.058 410 K CA -0.223 56.031 56.287 -0.056 0.000 0.953 410 K CB 0.122 32.605 32.500 -0.029 0.000 0.997 410 K HN 0.225 nan 8.250 nan 0.000 0.477 411 F N 3.524 123.213 119.950 -0.436 0.000 2.399 411 F HA 0.362 4.889 4.527 -0.000 0.000 0.342 411 F C -0.027 175.497 175.800 -0.460 0.000 1.106 411 F CA -0.223 57.454 58.000 -0.539 0.000 1.196 411 F CB 0.623 39.044 39.000 -0.966 0.000 1.163 411 F HN 0.435 nan 8.300 nan 0.000 0.547 412 M N 7.830 127.098 119.600 -0.554 0.000 2.324 412 M HA 0.566 5.046 4.480 -0.000 0.000 0.288 412 M C -2.315 173.895 176.300 -0.151 0.000 1.097 412 M CA -0.687 54.501 55.300 -0.186 0.000 0.928 412 M CB 1.788 34.305 32.600 -0.138 0.000 1.648 412 M HN 0.484 nan 8.290 nan 0.000 0.460 413 V N 5.562 125.534 119.914 0.096 0.000 2.638 413 V HA 0.724 4.843 4.120 -0.000 0.000 0.306 413 V C -1.523 174.662 176.094 0.151 0.000 1.052 413 V CA -0.435 61.942 62.300 0.129 0.000 0.885 413 V CB 2.179 34.159 31.823 0.262 0.000 0.999 413 V HN 0.972 nan 8.190 nan 0.000 0.424 414 R N 6.952 127.541 120.500 0.148 0.000 2.476 414 R HA 0.598 4.938 4.340 -0.000 0.000 0.305 414 R C -1.271 175.131 176.300 0.170 0.000 0.965 414 R CA -0.544 55.657 56.100 0.168 0.000 0.867 414 R CB 2.180 32.584 30.300 0.174 0.000 1.176 414 R HN 0.687 nan 8.270 nan 0.000 0.447 415 I N 2.885 123.532 120.570 0.129 0.000 2.404 415 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 415 I C -0.130 176.043 176.117 0.092 0.000 0.992 415 I CA -1.137 60.186 61.300 0.037 0.000 1.149 415 I CB 2.194 40.132 38.000 -0.104 0.000 1.315 415 I HN 0.143 nan 8.210 nan 0.000 0.446 416 V N 4.935 124.885 119.914 0.059 0.000 2.370 416 V HA 0.466 4.586 4.120 -0.000 0.000 0.283 416 V C 0.230 176.336 176.094 0.021 0.000 1.023 416 V CA -0.390 61.961 62.300 0.084 0.000 0.857 416 V CB 1.611 33.520 31.823 0.143 0.000 0.985 416 V HN 0.886 nan 8.190 nan 0.000 0.443 417 T N 0.779 115.370 114.554 0.061 0.000 2.924 417 T HA 0.465 4.815 4.350 -0.000 0.000 0.291 417 T C -0.375 174.318 174.700 -0.011 0.000 1.045 417 T CA -0.882 61.221 62.100 0.004 0.000 1.015 417 T CB 1.769 70.693 68.868 0.094 0.000 1.103 417 T HN 0.453 nan 8.240 nan 0.000 0.496 418 N N 0.404 119.026 118.700 -0.130 0.000 2.411 418 N HA 0.071 4.810 4.740 -0.000 0.000 0.259 418 N C 0.780 176.325 175.510 0.059 0.000 1.103 418 N CA -0.185 52.778 53.050 -0.145 0.000 0.954 418 N CB 0.192 38.482 38.487 -0.328 0.000 1.085 418 N HN 0.860 nan 8.380 nan 0.000 0.485 419 H N 3.216 122.327 119.070 0.068 0.000 2.524 419 H HA 0.007 4.563 4.556 -0.000 0.000 0.282 419 H C 1.211 176.588 175.328 0.081 0.000 1.016 419 H CA 1.026 57.149 56.048 0.126 0.000 1.270 419 H CB 0.571 30.451 29.762 0.197 0.000 1.394 419 H HN 0.721 nan 8.280 nan 0.000 0.568 420 A N 1.091 123.943 122.820 0.053 0.000 1.930 420 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 420 A C 1.573 179.121 177.584 -0.059 0.000 1.175 420 A CA 1.803 53.835 52.037 -0.008 0.000 0.627 420 A CB -0.029 19.002 19.000 0.052 0.000 0.815 420 A HN 0.659 nan 8.150 nan 0.000 0.443 421 D N -4.012 116.360 120.400 -0.048 0.000 2.539 421 D HA 0.274 4.914 4.640 -0.000 0.000 0.232 421 D C 0.973 177.236 176.300 -0.062 0.000 1.256 421 D CA 0.707 54.678 54.000 -0.049 0.000 0.810 421 D CB -0.714 40.072 40.800 -0.023 0.000 1.090 421 D HN 0.796 nan 8.370 nan 0.000 0.519 422 G N 1.696 110.456 108.800 -0.067 0.000 2.168 422 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.257 422 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.257 422 G C 0.040 174.873 174.900 -0.111 0.000 0.997 422 G CA 0.607 45.670 45.100 -0.062 0.000 0.708 422 G HN 0.756 nan 8.290 nan 0.000 0.520 423 E N -0.106 120.028 120.200 -0.109 0.000 2.338 423 E HA 0.479 4.829 4.350 -0.000 0.000 0.272 423 E C 0.229 176.727 176.600 -0.170 0.000 1.029 423 E CA -0.870 55.453 56.400 -0.128 0.000 0.872 423 E CB 1.493 31.141 29.700 -0.088 0.000 1.015 423 E HN 0.173 nan 8.360 nan 0.000 0.417 424 V N 5.726 125.509 119.914 -0.219 0.000 2.439 424 V HA -0.017 4.103 4.120 -0.000 0.000 0.271 424 V C 0.916 176.917 176.094 -0.155 0.000 1.040 424 V CA 0.034 62.176 62.300 -0.263 0.000 1.002 424 V CB 0.127 31.682 31.823 -0.446 0.000 1.000 424 V HN 0.722 nan 8.190 nan 0.000 0.477 425 L N 4.426 125.584 121.223 -0.108 0.000 2.513 425 L HA 0.508 4.848 4.340 -0.000 0.000 0.222 425 L C 1.056 177.921 176.870 -0.008 0.000 1.096 425 L CA 0.569 55.411 54.840 0.004 0.000 0.857 425 L CB -0.094 42.015 42.059 0.083 0.000 1.026 425 L HN 0.744 nan 8.230 nan 0.000 0.469 426 G N -0.629 108.120 108.800 -0.086 0.000 2.702 426 G HA2 0.560 4.520 3.960 -0.000 0.000 0.296 426 G HA3 0.560 4.520 3.960 -0.000 0.000 0.296 426 G C -1.919 172.778 174.900 -0.339 0.000 1.463 426 G CA -0.351 44.615 45.100 -0.224 0.000 0.890 426 G HN -0.298 nan 8.290 nan 0.000 0.534 427 V N 2.704 122.303 119.914 -0.524 0.000 2.569 427 V HA 0.535 4.654 4.120 -0.000 0.000 0.301 427 V C -1.164 174.678 176.094 -0.420 0.000 1.044 427 V CA -0.886 61.230 62.300 -0.306 0.000 0.874 427 V CB 1.728 33.514 31.823 -0.062 0.000 1.002 427 V HN 0.807 nan 8.190 nan 0.000 0.424 428 H N 6.464 125.550 119.070 0.026 0.000 2.727 428 H HA 0.698 5.254 4.556 -0.000 0.000 0.330 428 H C -0.586 174.736 175.328 -0.010 0.000 0.986 428 H CA -0.418 55.638 56.048 0.013 0.000 1.251 428 H CB 1.946 31.724 29.762 0.027 0.000 1.493 428 H HN 0.707 nan 8.280 nan 0.000 0.515 429 M N 1.937 121.555 119.600 0.031 0.000 2.550 429 M HA 0.458 4.938 4.480 -0.000 0.000 0.292 429 M C -1.584 174.582 176.300 -0.223 0.000 1.221 429 M CA -1.398 53.826 55.300 -0.128 0.000 0.873 429 M CB 3.182 35.672 32.600 -0.182 0.000 1.727 429 M HN 0.250 nan 8.290 nan 0.000 0.459 430 L N 1.749 122.740 121.223 -0.386 0.000 2.333 430 L HA 1.017 5.357 4.340 -0.000 0.000 0.280 430 L C -0.409 176.074 176.870 -0.645 0.000 1.004 430 L CA 0.623 55.238 54.840 -0.374 0.000 0.820 430 L CB 1.551 43.464 42.059 -0.244 0.000 1.247 430 L HN 1.053 nan 8.230 nan 0.000 0.416 431 G N 3.136 111.678 108.800 -0.430 0.000 2.345 431 G HA2 0.076 4.035 3.960 -0.000 0.000 0.310 431 G HA3 0.076 4.035 3.960 -0.000 0.000 0.310 431 G C -1.706 173.221 174.900 0.046 0.000 1.476 431 G CA -0.936 44.017 45.100 -0.245 0.000 0.978 431 G HN 0.613 nan 8.290 nan 0.000 0.656 432 D N 0.009 120.522 120.400 0.187 0.000 2.400 432 D HA 0.383 5.022 4.640 -0.000 0.000 0.238 432 D C 1.147 177.571 176.300 0.207 0.000 1.157 432 D CA 1.475 55.558 54.000 0.139 0.000 0.889 432 D CB 1.038 41.898 40.800 0.101 0.000 1.199 432 D HN 0.759 nan 8.370 nan 0.000 0.436 433 S N -0.604 115.159 115.700 0.105 0.000 2.981 433 S HA -0.260 4.209 4.470 -0.000 0.000 0.274 433 S C 1.672 176.328 174.600 0.093 0.000 1.297 433 S CA 1.256 59.508 58.200 0.086 0.000 1.266 433 S CB -1.237 62.007 63.200 0.075 0.000 1.542 433 S HN 0.633 nan 8.310 nan 0.000 0.674 434 S N 1.265 117.016 115.700 0.085 0.000 2.399 434 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 434 S C -0.646 173.927 174.600 -0.045 0.000 1.022 434 S CA 1.287 59.508 58.200 0.034 0.000 0.983 434 S CB -1.550 61.602 63.200 -0.081 0.000 0.803 434 S HN 0.461 nan 8.310 nan 0.000 0.480 435 P HA -0.099 nan 4.420 nan 0.000 0.216 435 P C 1.542 178.827 177.300 -0.025 0.000 1.150 435 P CA 1.307 64.320 63.100 -0.145 0.000 0.843 435 P CB -0.046 31.493 31.700 -0.268 0.000 0.787 436 E N -0.964 119.243 120.200 0.011 0.000 2.122 436 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 436 E C 2.134 178.741 176.600 0.012 0.000 0.977 436 E CA 0.788 57.202 56.400 0.023 0.000 0.820 436 E CB -0.563 29.155 29.700 0.031 0.000 0.770 436 E HN 0.329 nan 8.360 nan 0.000 0.462 437 I N 0.772 121.357 120.570 0.025 0.000 2.252 437 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 437 I C 2.405 178.525 176.117 0.005 0.000 1.102 437 I CA 0.658 61.974 61.300 0.027 0.000 1.385 437 I CB -0.152 37.900 38.000 0.087 0.000 1.064 437 I HN 0.012 nan 8.210 nan 0.000 0.414 438 I N 0.811 121.381 120.570 0.000 0.000 2.756 438 I HA -0.249 3.921 4.170 -0.000 0.000 0.262 438 I C 2.374 178.475 176.117 -0.026 0.000 1.225 438 I CA 1.146 62.436 61.300 -0.017 0.000 1.472 438 I CB -0.313 37.670 38.000 -0.029 0.000 1.094 438 I HN 0.202 nan 8.210 nan 0.000 0.454 439 Q N 0.514 120.301 119.800 -0.021 0.000 2.030 439 Q HA -0.187 4.152 4.340 -0.000 0.000 0.204 439 Q C 2.220 178.202 176.000 -0.031 0.000 0.986 439 Q CA 2.688 58.478 55.803 -0.022 0.000 0.843 439 Q CB -0.446 28.284 28.738 -0.012 0.000 0.904 439 Q HN 0.560 nan 8.270 nan 0.000 0.420 440 S N -0.935 114.742 115.700 -0.038 0.000 2.461 440 S HA -0.019 4.451 4.470 -0.000 0.000 0.228 440 S C 1.972 176.531 174.600 -0.069 0.000 1.005 440 S CA 0.761 58.929 58.200 -0.053 0.000 0.942 440 S CB -0.182 62.981 63.200 -0.062 0.000 0.776 440 S HN 0.199 nan 8.310 nan 0.000 0.514 441 V N 2.292 122.167 119.914 -0.064 0.000 2.358 441 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 441 V C 2.850 178.934 176.094 -0.016 0.000 1.047 441 V CA 1.624 63.892 62.300 -0.052 0.000 1.035 441 V CB -1.228 30.586 31.823 -0.015 0.000 0.658 441 V HN 0.590 nan 8.190 nan 0.000 0.452 442 A N -0.120 122.682 122.820 -0.030 0.000 1.972 442 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 442 A C 2.140 179.707 177.584 -0.029 0.000 1.169 442 A CA 1.718 53.734 52.037 -0.035 0.000 0.635 442 A CB -0.522 18.452 19.000 -0.044 0.000 0.810 442 A HN 0.542 nan 8.150 nan 0.000 0.446 443 I N -0.765 119.787 120.570 -0.031 0.000 2.252 443 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 443 I C 2.415 178.520 176.117 -0.020 0.000 1.102 443 I CA 1.051 62.334 61.300 -0.029 0.000 1.385 443 I CB -0.574 37.405 38.000 -0.035 0.000 1.064 443 I HN 0.362 nan 8.210 nan 0.000 0.414 444 C N 0.491 119.781 119.300 -0.017 0.000 2.429 444 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 444 C C 2.707 177.727 174.990 0.051 0.000 1.262 444 C CA 0.434 59.463 59.018 0.018 0.000 1.733 444 C CB -0.924 26.843 27.740 0.044 0.000 2.010 444 C HN 0.424 nan 8.230 nan 0.000 0.483 445 L N 0.766 122.013 121.223 0.040 0.000 2.109 445 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 445 L C 2.536 179.402 176.870 -0.007 0.000 1.086 445 L CA 1.634 56.481 54.840 0.012 0.000 0.760 445 L CB -0.610 41.435 42.059 -0.023 0.000 0.910 445 L HN 0.278 nan 8.230 nan 0.000 0.437 446 K N -0.781 119.611 120.400 -0.014 0.000 2.097 446 K HA -0.137 4.182 4.320 -0.000 0.000 0.206 446 K C 2.070 178.668 176.600 -0.005 0.000 1.049 446 K CA 1.291 57.570 56.287 -0.014 0.000 0.933 446 K CB -0.069 32.419 32.500 -0.020 0.000 0.717 446 K HN 0.274 nan 8.250 nan 0.000 0.442 447 M N -0.815 118.785 119.600 -0.001 0.000 2.374 447 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 447 M C 0.655 176.958 176.300 0.005 0.000 1.067 447 M CA 1.223 56.524 55.300 0.002 0.000 1.103 447 M CB 0.265 32.865 32.600 0.001 0.000 1.402 447 M HN 0.378 nan 8.290 nan 0.000 0.444 448 G N 1.343 110.147 108.800 0.007 0.000 2.683 448 G HA2 0.002 3.962 3.960 -0.000 0.000 0.234 448 G HA3 0.002 3.962 3.960 -0.000 0.000 0.234 448 G C -0.199 174.699 174.900 -0.003 0.000 1.135 448 G CA -0.171 44.929 45.100 -0.000 0.000 0.975 448 G HN 0.659 nan 8.290 nan 0.000 0.511 449 A N 0.529 123.358 122.820 0.015 0.000 2.351 449 A HA 0.756 5.076 4.320 -0.000 0.000 0.257 449 A C 0.684 178.223 177.584 -0.074 0.000 1.087 449 A CA -0.039 52.018 52.037 0.033 0.000 0.798 449 A CB 0.673 19.809 19.000 0.227 0.000 1.033 449 A HN 0.484 nan 8.150 nan 0.000 0.488 450 K N 1.215 121.552 120.400 -0.104 0.000 2.185 450 K HA 0.341 4.661 4.320 -0.000 0.000 0.240 450 K C 0.559 176.959 176.600 -0.332 0.000 0.983 450 K CA -0.778 55.393 56.287 -0.193 0.000 0.873 450 K CB 1.552 33.963 32.500 -0.149 0.000 1.118 450 K HN 0.529 nan 8.250 nan 0.000 0.441 451 I N 1.870 122.183 120.570 -0.429 0.000 2.567 451 I HA -0.294 3.876 4.170 -0.000 0.000 0.257 451 I C 1.836 177.496 176.117 -0.761 0.000 1.184 451 I CA 1.586 62.528 61.300 -0.597 0.000 1.451 451 I CB -0.084 37.595 38.000 -0.534 0.000 1.089 451 I HN 0.679 nan 8.210 nan 0.000 0.441 452 S N -0.311 114.960 115.700 -0.716 0.000 2.368 452 S HA -0.179 4.291 4.470 -0.000 0.000 0.224 452 S C 1.789 176.052 174.600 -0.562 0.000 1.029 452 S CA 1.225 58.831 58.200 -0.989 0.000 0.988 452 S CB -0.695 62.295 63.200 -0.350 0.000 0.838 452 S HN 0.463 nan 8.310 nan 0.000 0.462 453 D N 0.993 121.243 120.400 -0.249 0.000 2.149 453 D HA -0.051 4.589 4.640 -0.000 0.000 0.198 453 D C 1.490 177.813 176.300 0.037 0.000 0.990 453 D CA 1.009 54.975 54.000 -0.056 0.000 0.839 453 D CB -0.290 40.535 40.800 0.042 0.000 0.948 453 D HN 0.352 nan 8.370 nan 0.000 0.460 454 F N 0.572 120.350 119.950 -0.287 0.000 2.094 454 F HA -0.120 4.407 4.527 -0.000 0.000 0.291 454 F C 2.234 177.957 175.800 -0.128 0.000 1.109 454 F CA 0.564 58.450 58.000 -0.191 0.000 1.221 454 F CB -1.375 37.514 39.000 -0.184 0.000 1.014 454 F HN 0.053 nan 8.300 nan 0.000 0.473 455 Y N -1.384 118.990 120.300 0.124 0.000 2.632 455 Y HA 0.135 4.685 4.550 -0.000 0.000 0.301 455 Y C 1.208 177.128 175.900 0.033 0.000 1.172 455 Y CA 0.027 58.161 58.100 0.057 0.000 1.328 455 Y CB -1.776 36.704 38.460 0.033 0.000 1.016 455 Y HN -0.006 nan 8.280 nan 0.000 0.529 456 N N 0.002 118.813 118.700 0.184 0.000 2.280 456 N HA 0.036 4.776 4.740 -0.000 0.000 0.192 456 N C -0.326 175.221 175.510 0.062 0.000 1.109 456 N CA 0.348 53.484 53.050 0.144 0.000 0.855 456 N CB 0.152 38.700 38.487 0.102 0.000 0.974 456 N HN 0.239 nan 8.380 nan 0.000 0.482 457 T N 1.278 115.853 114.554 0.034 0.000 2.856 457 T HA 0.363 4.713 4.350 -0.000 0.000 0.292 457 T C 0.869 175.573 174.700 0.006 0.000 0.980 457 T CA -0.346 61.752 62.100 -0.003 0.000 1.091 457 T CB 1.389 70.227 68.868 -0.050 0.000 0.936 457 T HN -0.043 nan 8.240 nan 0.000 0.503 458 I N 2.585 123.153 120.570 -0.003 0.000 2.496 458 I HA 0.268 4.437 4.170 -0.000 0.000 0.285 458 I C 1.415 177.525 176.117 -0.012 0.000 1.080 458 I CA -0.216 61.082 61.300 -0.005 0.000 1.404 458 I CB 0.528 38.524 38.000 -0.007 0.000 1.403 458 I HN 0.662 nan 8.210 nan 0.000 0.539 459 G N 5.363 114.157 108.800 -0.009 0.000 2.606 459 G HA2 0.418 4.378 3.960 -0.000 0.000 0.252 459 G HA3 0.418 4.378 3.960 -0.000 0.000 0.252 459 G C -0.450 174.455 174.900 0.007 0.000 1.206 459 G CA -0.403 44.693 45.100 -0.005 0.000 0.861 459 G HN 0.391 nan 8.290 nan 0.000 0.561 460 V N 0.964 120.885 119.914 0.011 0.000 2.427 460 V HA 0.410 4.530 4.120 -0.000 0.000 0.286 460 V C -0.269 175.863 176.094 0.063 0.000 1.034 460 V CA -0.560 61.752 62.300 0.019 0.000 0.893 460 V CB 1.157 32.973 31.823 -0.012 0.000 0.982 460 V HN 0.914 nan 8.190 nan 0.000 0.452 461 H N 5.297 124.340 119.070 -0.044 0.000 2.717 461 H HA 0.737 5.293 4.556 -0.000 0.000 0.366 461 H C -2.727 172.575 175.328 -0.042 0.000 1.132 461 H CA -1.832 54.187 56.048 -0.049 0.000 1.180 461 H CB 2.268 32.003 29.762 -0.045 0.000 1.678 461 H HN 0.527 nan 8.280 nan 0.000 0.537 462 P HA 0.280 nan 4.420 nan 0.000 0.295 462 P C -1.231 175.934 177.300 -0.224 0.000 1.354 462 P CA -0.561 62.203 63.100 -0.560 0.000 0.814 462 P CB 1.126 32.488 31.700 -0.564 0.000 0.935 463 T N -1.858 112.617 114.554 -0.132 0.000 2.887 463 T HA 0.412 4.761 4.350 -0.000 0.000 0.292 463 T C 0.839 175.462 174.700 -0.128 0.000 1.087 463 T CA -0.537 61.494 62.100 -0.114 0.000 1.009 463 T CB 1.416 70.235 68.868 -0.082 0.000 1.203 463 T HN -0.043 nan 8.240 nan 0.000 0.518 464 S N 0.212 115.790 115.700 -0.204 0.000 2.362 464 S HA 0.126 4.596 4.470 -0.000 0.000 0.221 464 S C 2.462 176.923 174.600 -0.233 0.000 1.032 464 S CA 0.780 58.757 58.200 -0.370 0.000 0.973 464 S CB -0.852 61.710 63.200 -1.064 0.000 0.849 464 S HN 0.927 nan 8.310 nan 0.000 0.465 465 A N 2.142 124.882 122.820 -0.135 0.000 2.076 465 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 465 A C 1.868 179.454 177.584 0.003 0.000 1.160 465 A CA 1.629 53.664 52.037 -0.003 0.000 0.653 465 A CB -0.699 18.297 19.000 -0.007 0.000 0.801 465 A HN 0.775 nan 8.150 nan 0.000 0.455 466 E N -0.346 119.838 120.200 -0.027 0.000 2.409 466 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 466 E C 1.124 177.720 176.600 -0.006 0.000 1.024 466 E CA 0.820 57.211 56.400 -0.016 0.000 0.861 466 E CB -0.192 29.503 29.700 -0.009 0.000 0.788 466 E HN 0.528 nan 8.360 nan 0.000 0.521 467 E N 0.810 121.015 120.200 0.007 0.000 2.160 467 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 467 E C 1.934 178.609 176.600 0.125 0.000 0.991 467 E CA 0.556 56.989 56.400 0.053 0.000 0.810 467 E CB -0.151 29.666 29.700 0.195 0.000 0.742 467 E HN 0.306 nan 8.360 nan 0.000 0.466 468 L N 0.218 121.524 121.223 0.140 0.000 2.081 468 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 468 L C 2.125 179.104 176.870 0.183 0.000 1.080 468 L CA 1.428 56.375 54.840 0.178 0.000 0.754 468 L CB -0.432 41.675 42.059 0.080 0.000 0.893 468 L HN 0.148 nan 8.230 nan 0.000 0.433 469 C N -1.714 117.646 119.300 0.101 0.000 2.673 469 C HA 0.187 4.646 4.460 -0.000 0.000 0.274 469 C C 1.876 176.943 174.990 0.129 0.000 1.276 469 C CA 0.178 59.261 59.018 0.109 0.000 1.701 469 C CB -1.332 26.433 27.740 0.041 0.000 1.836 469 C HN 0.421 nan 8.230 nan 0.000 0.596 470 S N -0.035 115.733 115.700 0.114 0.000 2.730 470 S HA 0.306 4.776 4.470 -0.000 0.000 0.244 470 S C 0.330 174.997 174.600 0.112 0.000 1.022 470 S CA -0.091 58.159 58.200 0.084 0.000 1.014 470 S CB -0.030 63.186 63.200 0.026 0.000 0.963 470 S HN 0.553 nan 8.310 nan 0.000 0.540 471 M N 1.889 121.586 119.600 0.161 0.000 2.495 471 M HA 0.360 4.839 4.480 -0.000 0.000 0.346 471 M C 0.913 177.360 176.300 0.246 0.000 1.251 471 M CA -0.175 55.242 55.300 0.195 0.000 1.249 471 M CB 0.609 33.316 32.600 0.178 0.000 1.229 471 M HN 0.068 nan 8.290 nan 0.000 0.450 472 R N -0.099 120.517 120.500 0.193 0.000 2.112 472 R HA 0.092 4.431 4.340 -0.000 0.000 0.216 472 R C 0.172 176.657 176.300 0.309 0.000 1.080 472 R CA 0.804 56.955 56.100 0.086 0.000 0.996 472 R CB 0.354 30.513 30.300 -0.235 0.000 0.902 472 R HN 0.414 nan 8.270 nan 0.000 0.449 473 T N 2.742 117.446 114.554 0.250 0.000 2.771 473 T HA 0.317 4.667 4.350 -0.000 0.000 0.281 473 T C -2.510 172.052 174.700 -0.230 0.000 0.982 473 T CA -1.669 60.483 62.100 0.086 0.000 0.978 473 T CB 2.000 70.877 68.868 0.015 0.000 0.930 473 T HN -0.122 nan 8.240 nan 0.000 0.447 474 P HA 0.177 nan 4.420 nan 0.000 0.266 474 P C 0.169 177.044 177.300 -0.708 0.000 1.193 474 P CA -0.119 62.259 63.100 -1.204 0.000 0.770 474 P CB 0.516 31.521 31.700 -1.157 0.000 0.836 475 A N 2.400 124.827 122.820 -0.654 0.000 1.997 475 A HA 0.208 4.528 4.320 -0.000 0.000 0.212 475 A C 0.148 177.596 177.584 -0.228 0.000 1.178 475 A CA 1.259 53.114 52.037 -0.303 0.000 0.698 475 A CB -0.507 18.420 19.000 -0.120 0.000 0.842 475 A HN 0.682 nan 8.150 nan 0.000 0.458 476 Y N -5.153 114.792 120.300 -0.590 0.000 2.779 476 Y HA 0.697 5.247 4.550 -0.000 0.000 0.340 476 Y C -1.085 174.370 175.900 -0.741 0.000 1.252 476 Y CA -2.543 55.233 58.100 -0.541 0.000 1.072 476 Y CB 0.276 38.562 38.460 -0.289 0.000 1.343 476 Y HN -0.063 nan 8.280 nan 0.000 0.450 477 F N -0.656 119.230 119.950 -0.106 0.000 2.764 477 F HA 0.715 5.242 4.527 -0.000 0.000 0.347 477 F C -1.412 174.243 175.800 -0.242 0.000 1.151 477 F CA -1.529 56.365 58.000 -0.177 0.000 1.021 477 F CB 1.607 40.494 39.000 -0.188 0.000 1.438 477 F HN 0.414 nan 8.300 nan 0.000 0.516 478 Y N 0.886 121.334 120.300 0.246 0.000 2.373 478 Y HA 0.301 4.851 4.550 -0.000 0.000 0.327 478 Y C -0.594 175.381 175.900 0.125 0.000 1.036 478 Y CA -0.860 57.341 58.100 0.168 0.000 1.265 478 Y CB 1.317 39.861 38.460 0.141 0.000 1.108 478 Y HN 0.258 nan 8.280 nan 0.000 0.471 479 Q N 3.795 123.698 119.800 0.172 0.000 2.337 479 Q HA 0.166 4.506 4.340 -0.000 0.000 0.255 479 Q C -0.125 175.950 176.000 0.126 0.000 0.997 479 Q CA -0.252 55.616 55.803 0.108 0.000 0.925 479 Q CB 0.934 29.694 28.738 0.036 0.000 1.212 479 Q HN 0.664 nan 8.270 nan 0.000 0.436 480 K N 1.867 122.341 120.400 0.123 0.000 3.490 480 K HA -0.323 3.997 4.320 -0.000 0.000 0.273 480 K C 0.696 177.363 176.600 0.112 0.000 0.916 480 K CA 0.602 56.948 56.287 0.098 0.000 0.718 480 K CB -1.433 31.103 32.500 0.061 0.000 1.477 480 K HN 1.146 nan 8.250 nan 0.000 0.452 481 G N -0.587 108.309 108.800 0.161 0.000 2.267 481 G HA2 -0.343 3.616 3.960 -0.000 0.000 0.257 481 G HA3 -0.343 3.616 3.960 -0.000 0.000 0.257 481 G C -0.144 174.924 174.900 0.280 0.000 0.998 481 G CA 0.798 45.995 45.100 0.161 0.000 0.620 481 G HN 0.308 nan 8.290 nan 0.000 0.529 482 K N 0.467 121.012 120.400 0.242 0.000 2.185 482 K HA 0.614 4.934 4.320 -0.000 0.000 0.269 482 K C 0.409 177.093 176.600 0.140 0.000 0.987 482 K CA -0.778 55.622 56.287 0.189 0.000 0.865 482 K CB 1.225 33.781 32.500 0.094 0.000 1.090 482 K HN 0.305 nan 8.250 nan 0.000 0.450 483 R N 2.618 123.137 120.500 0.032 0.000 2.404 483 R HA 0.175 4.514 4.340 -0.000 0.000 0.315 483 R C -0.652 175.581 176.300 -0.112 0.000 1.032 483 R CA -0.017 55.925 56.100 -0.263 0.000 0.992 483 R CB 0.129 30.256 30.300 -0.289 0.000 0.959 483 R HN 0.348 nan 8.270 nan 0.000 0.428 484 V N 3.689 123.556 119.914 -0.080 0.000 3.096 484 V HA 0.204 4.324 4.120 -0.000 0.000 0.319 484 V C 0.268 176.407 176.094 0.075 0.000 1.103 484 V CA -0.448 61.856 62.300 0.007 0.000 1.016 484 V CB 2.045 33.884 31.823 0.027 0.000 1.090 484 V HN 0.850 nan 8.190 nan 0.000 0.449 485 E N 0.042 120.300 120.200 0.097 0.000 2.660 485 E HA 0.309 4.659 4.350 -0.000 0.000 0.216 485 E C 0.620 177.367 176.600 0.244 0.000 0.986 485 E CA 0.102 56.612 56.400 0.183 0.000 1.037 485 E CB 0.541 30.286 29.700 0.074 0.000 1.041 485 E HN 0.541 nan 8.360 nan 0.000 0.480 486 K N -0.274 120.162 120.400 0.061 0.000 2.603 486 K HA 0.240 4.560 4.320 -0.000 0.000 0.216 486 K C -0.106 176.141 176.600 -0.590 0.000 1.562 486 K CA -0.092 56.087 56.287 -0.180 0.000 1.012 486 K CB 1.257 33.719 32.500 -0.063 0.000 1.280 486 K HN 0.070 nan 8.250 nan 0.000 0.620 487 I N 0.000 120.256 120.570 -0.524 0.000 2.984 487 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 487 I CA 0.000 61.007 61.300 -0.488 0.000 1.566 487 I CB 0.000 37.379 38.000 -1.035 0.000 1.214 487 I HN 0.000 nan 8.210 nan 0.000 0.494