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 1m0w_1_A DATA FIRST_RESID 6 DATA SEQUENCE PSKDQLNELI QEVNQWAITN GLSMYPPKFE ENPSNASVSP VTIYPTPIPR DATA SEQUENCE KCFDEAVQIQ PVFNELYARI TQDMAQPDSY LHKTTEALAL SDSEFTGKLW DATA SEQUENCE SLYLATLKSA QYKKQNFRLG IFRSDYLIDK KKGTEQIKQV EFNTVSVSFA DATA SEQUENCE GLSEKVDRLH SYLNRANKYD PKGPIYNDQN MVISDSGYLL SKALAKAVES DATA SEQUENCE YKSQQXXXXX SDPIVAFIVQ RNERNVFDQK VLELNLLEKF GTKSVRLTFD DATA SEQUENCE DVNDKLFIDD KTGKLFIRDT EQEIAVVYYR TGYTTTDYTS EKDWEARLFL DATA SEQUENCE EKSFAIKAPD LLTQLSGSKK IQQLLTDEGV LGKYISDAEK KSSLLKTFVK DATA SEQUENCE IYPLDDTKLG REGKRLALSE PSKYVLKPQR EGGGNNVYKE NIPNFLKGIE DATA SEQUENCE ERHWDAYILM ELIEPELNEN NIILRDNKSY NEPIISELGI YGCVLFNDEQ DATA SEQUENCE VLSNEFSGSL LRSKFNTSNE GGVAAGFGCL DSIILY 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.315 177.300 0.025 0.000 1.155 6 P CA 0.000 63.128 63.100 0.046 0.000 0.800 6 P CB 0.000 31.769 31.700 0.114 0.000 0.726 7 S N 0.243 115.955 115.700 0.020 0.000 2.641 7 S HA 0.206 4.542 4.470 -0.222 0.000 0.251 7 S C 1.177 175.786 174.600 0.014 0.000 1.332 7 S CA 0.771 58.977 58.200 0.010 0.000 0.968 7 S CB 0.284 63.488 63.200 0.008 0.000 0.987 7 S HN 0.622 nan 8.310 nan 0.000 0.587 8 K N -0.543 119.862 120.400 0.007 0.000 2.031 8 K HA -0.081 4.106 4.320 -0.222 0.000 0.205 8 K C 1.014 177.621 176.600 0.011 0.000 1.049 8 K CA 1.615 57.906 56.287 0.007 0.000 0.939 8 K CB -0.215 32.285 32.500 0.001 0.000 0.717 8 K HN 0.667 nan 8.250 nan 0.000 0.438 9 D N 0.279 120.685 120.400 0.011 0.000 2.178 9 D HA -0.134 4.373 4.640 -0.222 0.000 0.202 9 D C 2.303 178.615 176.300 0.019 0.000 0.974 9 D CA 1.491 55.498 54.000 0.013 0.000 0.841 9 D CB -0.253 40.553 40.800 0.010 0.000 0.953 9 D HN 0.419 nan 8.370 nan 0.000 0.478 10 Q N 0.463 120.277 119.800 0.024 0.000 2.079 10 Q HA -0.022 4.185 4.340 -0.222 0.000 0.200 10 Q C 2.145 178.172 176.000 0.045 0.000 0.974 10 Q CA 1.234 57.059 55.803 0.036 0.000 0.840 10 Q CB -1.072 27.692 28.738 0.042 0.000 0.898 10 Q HN 0.325 nan 8.270 nan 0.000 0.430 11 L N 1.222 122.472 121.223 0.045 0.000 2.046 11 L HA -0.138 4.069 4.340 -0.222 0.000 0.208 11 L C 1.760 178.649 176.870 0.033 0.000 1.077 11 L CA 2.296 57.165 54.840 0.048 0.000 0.747 11 L CB -0.530 41.556 42.059 0.045 0.000 0.896 11 L HN 0.429 nan 8.230 nan 0.000 0.432 12 N N -0.527 118.188 118.700 0.025 0.000 2.188 12 N HA -0.151 4.455 4.740 -0.222 0.000 0.184 12 N C 1.838 177.363 175.510 0.024 0.000 1.018 12 N CA 1.321 54.383 53.050 0.021 0.000 0.858 12 N CB -0.189 38.307 38.487 0.015 0.000 0.989 12 N HN 0.396 nan 8.380 nan 0.000 0.426 13 E N 0.479 120.694 120.200 0.025 0.000 2.107 13 E HA -0.032 4.184 4.350 -0.222 0.000 0.191 13 E C 1.980 178.596 176.600 0.027 0.000 0.982 13 E CA 0.179 56.595 56.400 0.025 0.000 0.809 13 E CB -0.518 29.196 29.700 0.024 0.000 0.756 13 E HN 0.252 nan 8.360 nan 0.000 0.459 14 L N 0.549 121.788 121.223 0.026 0.000 2.083 14 L HA 0.010 4.216 4.340 -0.222 0.000 0.209 14 L C 2.172 179.051 176.870 0.015 0.000 1.083 14 L CA 1.549 56.398 54.840 0.015 0.000 0.752 14 L CB -0.511 41.560 42.059 0.019 0.000 0.899 14 L HN 0.224 nan 8.230 nan 0.000 0.433 15 I N -1.014 119.570 120.570 0.024 0.000 2.226 15 I HA -0.281 3.756 4.170 -0.222 0.000 0.245 15 I C 2.266 178.408 176.117 0.042 0.000 1.100 15 I CA 0.818 62.138 61.300 0.034 0.000 1.374 15 I CB -0.251 37.771 38.000 0.036 0.000 1.057 15 I HN 0.341 nan 8.210 nan 0.000 0.413 16 Q N 0.224 120.047 119.800 0.038 0.000 2.230 16 Q HA -0.128 4.079 4.340 -0.222 0.000 0.202 16 Q C 2.033 178.067 176.000 0.057 0.000 0.963 16 Q CA 0.999 56.827 55.803 0.042 0.000 0.866 16 Q CB -0.240 28.518 28.738 0.034 0.000 0.931 16 Q HN 0.448 nan 8.270 nan 0.000 0.452 17 E N 0.019 120.255 120.200 0.060 0.000 2.077 17 E HA -0.096 4.120 4.350 -0.222 0.000 0.193 17 E C 2.108 178.779 176.600 0.118 0.000 0.989 17 E CA 0.728 57.182 56.400 0.090 0.000 0.800 17 E CB 0.055 29.797 29.700 0.071 0.000 0.746 17 E HN 0.125 nan 8.360 nan 0.000 0.452 18 V N 2.385 122.348 119.914 0.082 0.000 2.270 18 V HA -0.249 3.738 4.120 -0.222 0.000 0.245 18 V C 2.035 178.206 176.094 0.128 0.000 1.043 18 V CA 1.665 64.024 62.300 0.098 0.000 1.014 18 V CB -0.548 31.315 31.823 0.067 0.000 0.645 18 V HN 0.202 nan 8.190 nan 0.000 0.447 19 N N 0.120 118.874 118.700 0.090 0.000 2.069 19 N HA -0.216 4.390 4.740 -0.222 0.000 0.191 19 N C 1.934 177.483 175.510 0.065 0.000 1.031 19 N CA 1.626 54.718 53.050 0.071 0.000 0.852 19 N CB -0.373 38.142 38.487 0.047 0.000 1.018 19 N HN 0.596 nan 8.380 nan 0.000 0.423 20 Q N -0.903 118.939 119.800 0.069 0.000 2.050 20 Q HA -0.149 4.058 4.340 -0.222 0.000 0.202 20 Q C 1.944 177.965 176.000 0.036 0.000 0.980 20 Q CA 1.302 57.129 55.803 0.039 0.000 0.840 20 Q CB -0.234 28.530 28.738 0.043 0.000 0.898 20 Q HN 0.488 nan 8.270 nan 0.000 0.424 21 W N 0.749 121.993 121.300 -0.094 0.000 2.381 21 W HA -0.159 4.366 4.660 -0.226 0.000 0.301 21 W C 2.285 178.725 176.519 -0.132 0.000 1.205 21 W CA 1.700 58.948 57.345 -0.162 0.000 1.285 21 W CB -0.205 29.143 29.460 -0.188 0.000 1.133 21 W HN 0.122 nan 8.180 nan 0.000 0.521 22 A N 0.463 123.480 122.820 0.327 0.000 1.883 22 A HA -0.224 3.963 4.320 -0.222 0.000 0.217 22 A C 1.960 179.513 177.584 -0.051 0.000 1.186 22 A CA 2.150 54.312 52.037 0.210 0.000 0.624 22 A CB -1.093 18.011 19.000 0.173 0.000 0.822 22 A HN 0.383 nan 8.150 nan 0.000 0.444 23 I N -0.491 120.035 120.570 -0.073 0.000 2.226 23 I HA -0.211 3.825 4.170 -0.222 0.000 0.245 23 I C 2.476 178.462 176.117 -0.217 0.000 1.100 23 I CA 1.716 62.932 61.300 -0.141 0.000 1.374 23 I CB -0.643 37.296 38.000 -0.102 0.000 1.057 23 I HN 0.254 nan 8.210 nan 0.000 0.413 24 T N 0.538 114.935 114.554 -0.261 0.000 2.833 24 T HA -0.117 4.099 4.350 -0.222 0.000 0.269 24 T C 1.458 175.904 174.700 -0.424 0.000 1.054 24 T CA 1.168 63.068 62.100 -0.334 0.000 1.135 24 T CB -0.223 68.410 68.868 -0.391 0.000 0.869 24 T HN 0.342 nan 8.240 nan 0.000 0.466 25 N N -0.036 118.339 118.700 -0.542 0.000 2.230 25 N HA 0.180 4.787 4.740 -0.222 0.000 0.202 25 N C 1.221 176.546 175.510 -0.309 0.000 1.119 25 N CA 0.520 53.238 53.050 -0.553 0.000 0.851 25 N CB 0.910 38.757 38.487 -1.066 0.000 0.990 25 N HN 0.487 nan 8.380 nan 0.000 0.497 26 G N 1.629 110.272 108.800 -0.261 0.000 2.160 26 G HA2 -0.261 3.565 3.960 -0.222 0.000 0.251 26 G HA3 -0.261 3.565 3.960 -0.222 0.000 0.251 26 G C 0.057 174.884 174.900 -0.121 0.000 1.008 26 G CA -0.094 44.871 45.100 -0.225 0.000 0.724 26 G HN 0.311 nan 8.290 nan 0.000 0.514 27 L N 2.069 123.255 121.223 -0.061 0.000 2.376 27 L HA 0.648 4.855 4.340 -0.222 0.000 0.250 27 L C 0.319 177.196 176.870 0.011 0.000 1.335 27 L CA -0.094 54.772 54.840 0.044 0.000 1.214 27 L CB -0.604 41.549 42.059 0.156 0.000 1.395 27 L HN 0.199 nan 8.230 nan 0.000 0.424 28 S N 3.129 118.822 115.700 -0.012 0.000 2.697 28 S HA 0.799 5.136 4.470 -0.222 0.000 0.289 28 S C -0.749 173.946 174.600 0.158 0.000 1.149 28 S CA -0.771 57.404 58.200 -0.042 0.000 0.850 28 S CB 2.263 65.255 63.200 -0.346 0.000 1.151 28 S HN 0.491 nan 8.310 nan 0.000 0.491 29 M N 0.977 120.668 119.600 0.152 0.000 2.520 29 M HA 0.439 4.786 4.480 -0.222 0.000 0.280 29 M C -2.073 174.333 176.300 0.176 0.000 1.232 29 M CA -0.535 54.887 55.300 0.204 0.000 0.892 29 M CB 1.866 34.549 32.600 0.139 0.000 1.728 29 M HN 0.798 nan 8.290 nan 0.000 0.475 30 Y N 3.363 123.703 120.300 0.067 0.000 2.346 30 Y HA 0.316 4.732 4.550 -0.223 0.000 0.330 30 Y C -1.872 174.040 175.900 0.019 0.000 1.178 30 Y CA -1.293 56.773 58.100 -0.057 0.000 1.331 30 Y CB 0.695 38.733 38.460 -0.704 0.000 1.253 30 Y HN 0.369 nan 8.280 nan 0.000 0.529 31 P HA 0.210 nan 4.420 nan 0.000 0.279 31 P C -2.780 174.671 177.300 0.252 0.000 1.276 31 P CA -2.180 61.046 63.100 0.211 0.000 0.801 31 P CB 0.683 32.486 31.700 0.172 0.000 1.127 32 P HA -0.003 nan 4.420 nan 0.000 0.269 32 P C -0.068 177.305 177.300 0.121 0.000 1.209 32 P CA 0.490 63.681 63.100 0.152 0.000 0.776 32 P CB 0.033 31.783 31.700 0.083 0.000 0.876 33 K N 0.188 120.619 120.400 0.052 0.000 3.281 33 K HA -0.213 3.973 4.320 -0.222 0.000 0.295 33 K C 0.935 177.450 176.600 -0.141 0.000 1.233 33 K CA 1.342 57.578 56.287 -0.085 0.000 0.866 33 K CB -3.135 29.341 32.500 -0.041 0.000 1.265 33 K HN 0.729 nan 8.250 nan 0.000 0.482 34 F N 0.688 120.574 119.950 -0.107 0.000 2.307 34 F HA -0.033 4.362 4.527 -0.220 0.000 0.301 34 F C 1.732 177.377 175.800 -0.259 0.000 1.076 34 F CA 1.509 59.389 58.000 -0.200 0.000 1.383 34 F CB -0.466 38.296 39.000 -0.396 0.000 1.055 34 F HN 0.252 nan 8.300 nan 0.000 0.526 35 E N 0.988 120.435 120.200 -1.256 0.000 2.147 35 E HA -0.200 4.016 4.350 -0.222 0.000 0.199 35 E C 1.966 178.334 176.600 -0.386 0.000 1.005 35 E CA 1.874 57.740 56.400 -0.890 0.000 0.810 35 E CB -0.577 28.708 29.700 -0.691 0.000 0.736 35 E HN 0.543 nan 8.360 nan 0.000 0.460 36 E N -0.189 119.849 120.200 -0.269 0.000 2.204 36 E HA -0.087 4.130 4.350 -0.222 0.000 0.195 36 E C 0.486 177.034 176.600 -0.086 0.000 0.990 36 E CA 0.930 57.245 56.400 -0.141 0.000 0.821 36 E CB -0.457 29.185 29.700 -0.097 0.000 0.750 36 E HN 0.422 nan 8.360 nan 0.000 0.477 37 N N -0.968 117.689 118.700 -0.071 0.000 2.969 37 N HA 0.119 4.725 4.740 -0.222 0.000 0.230 37 N C -2.927 172.614 175.510 0.051 0.000 1.397 37 N CA -1.065 51.984 53.050 -0.002 0.000 0.762 37 N CB 1.633 40.134 38.487 0.023 0.000 1.495 37 N HN -0.069 nan 8.380 nan 0.000 0.583 38 P HA 0.026 nan 4.420 nan 0.000 0.253 38 P C 0.631 178.128 177.300 0.328 0.000 1.281 38 P CA 0.366 63.550 63.100 0.140 0.000 0.792 38 P CB 0.059 31.828 31.700 0.115 0.000 1.193 39 S N -1.730 114.095 115.700 0.209 0.000 2.575 39 S HA 0.078 4.415 4.470 -0.222 0.000 0.215 39 S C 0.578 175.277 174.600 0.164 0.000 0.966 39 S CA -0.568 57.737 58.200 0.175 0.000 0.911 39 S CB -0.898 62.358 63.200 0.095 0.000 0.780 39 S HN 0.205 nan 8.310 nan 0.000 0.514 40 N N 0.345 119.181 118.700 0.226 0.000 2.229 40 N HA 0.716 5.323 4.740 -0.222 0.000 0.298 40 N C -1.175 174.491 175.510 0.260 0.000 1.114 40 N CA -0.899 52.249 53.050 0.165 0.000 0.776 40 N CB 2.135 40.688 38.487 0.109 0.000 1.501 40 N HN 0.173 nan 8.380 nan 0.000 0.474 41 A N 0.692 123.573 122.820 0.102 0.000 2.594 41 A HA 0.730 4.917 4.320 -0.222 0.000 0.291 41 A C -1.053 176.534 177.584 0.005 0.000 1.105 41 A CA -0.643 51.436 52.037 0.070 0.000 0.694 41 A CB 1.730 20.582 19.000 -0.247 0.000 1.291 41 A HN 0.575 nan 8.150 nan 0.000 0.410 42 S N -0.563 115.156 115.700 0.031 0.000 2.621 42 S HA 0.588 4.925 4.470 -0.222 0.000 0.302 42 S C -0.086 174.514 174.600 -0.001 0.000 1.093 42 S CA -0.573 57.639 58.200 0.021 0.000 1.017 42 S CB 1.616 64.849 63.200 0.055 0.000 1.077 42 S HN 0.739 nan 8.310 nan 0.000 0.517 43 V N 2.547 122.466 119.914 0.008 0.000 2.673 43 V HA 0.105 4.091 4.120 -0.222 0.000 0.303 43 V C 0.929 177.049 176.094 0.043 0.000 1.046 43 V CA -0.022 62.291 62.300 0.021 0.000 1.126 43 V CB 1.184 33.032 31.823 0.042 0.000 0.934 43 V HN 0.947 nan 8.190 nan 0.000 0.487 44 S N 6.386 122.118 115.700 0.054 0.000 2.572 44 S HA 0.214 4.551 4.470 -0.222 0.000 0.279 44 S C -2.320 172.320 174.600 0.066 0.000 1.341 44 S CA -0.933 57.307 58.200 0.067 0.000 1.043 44 S CB 0.729 63.975 63.200 0.076 0.000 0.887 44 S HN 0.616 nan 8.310 nan 0.000 0.516 45 P HA 0.231 nan 4.420 nan 0.000 0.267 45 P C -1.026 176.340 177.300 0.110 0.000 1.205 45 P CA -0.226 62.940 63.100 0.109 0.000 0.765 45 P CB 0.659 32.434 31.700 0.125 0.000 0.828 46 V N -0.005 119.994 119.914 0.142 0.000 3.188 46 V HA 0.751 4.738 4.120 -0.222 0.000 0.305 46 V C -0.214 175.983 176.094 0.171 0.000 1.232 46 V CA -0.991 61.381 62.300 0.119 0.000 1.043 46 V CB 1.641 33.515 31.823 0.084 0.000 1.068 46 V HN 0.525 nan 8.190 nan 0.000 0.439 47 T N -0.240 114.429 114.554 0.191 0.000 2.874 47 T HA 0.551 4.767 4.350 -0.222 0.000 0.281 47 T C 0.862 175.695 174.700 0.221 0.000 0.994 47 T CA -0.559 61.656 62.100 0.191 0.000 1.015 47 T CB 1.229 70.205 68.868 0.180 0.000 1.028 47 T HN 0.565 nan 8.240 nan 0.000 0.523 48 I N -0.400 120.191 120.570 0.035 0.000 2.480 48 I HA 0.147 4.183 4.170 -0.222 0.000 0.251 48 I C 0.354 176.121 176.117 -0.583 0.000 1.124 48 I CA 0.678 61.856 61.300 -0.203 0.000 1.444 48 I CB -0.783 36.968 38.000 -0.416 0.000 1.098 48 I HN 0.652 nan 8.210 nan 0.000 0.428 49 Y N 1.315 121.443 120.300 -0.287 0.000 2.587 49 Y HA 0.460 4.876 4.550 -0.224 0.000 0.337 49 Y C -2.125 173.471 175.900 -0.508 0.000 1.065 49 Y CA -2.652 55.151 58.100 -0.495 0.000 1.126 49 Y CB 0.547 38.822 38.460 -0.307 0.000 1.279 49 Y HN -0.153 nan 8.280 nan 0.000 0.489 50 P HA 0.154 nan 4.420 nan 0.000 0.276 50 P C -0.793 176.456 177.300 -0.086 0.000 1.252 50 P CA -0.320 62.696 63.100 -0.141 0.000 0.802 50 P CB 1.133 32.656 31.700 -0.296 0.000 1.035 51 T N 2.149 116.687 114.554 -0.027 0.000 2.797 51 T HA 0.422 4.639 4.350 -0.222 0.000 0.279 51 T C -2.439 172.263 174.700 0.002 0.000 0.991 51 T CA -1.565 60.532 62.100 -0.006 0.000 0.979 51 T CB 0.687 69.574 68.868 0.032 0.000 0.943 51 T HN 0.250 nan 8.240 nan 0.000 0.444 52 P HA 0.272 nan 4.420 nan 0.000 0.267 52 P C -0.870 176.576 177.300 0.244 0.000 1.205 52 P CA -0.212 62.958 63.100 0.117 0.000 0.765 52 P CB 0.376 32.053 31.700 -0.039 0.000 0.828 53 I N 4.752 125.481 120.570 0.265 0.000 2.569 53 I HA 0.294 4.330 4.170 -0.222 0.000 0.290 53 I C -2.535 173.513 176.117 -0.114 0.000 1.088 53 I CA -3.079 58.297 61.300 0.127 0.000 1.047 53 I CB 2.088 40.126 38.000 0.064 0.000 1.237 53 I HN 0.042 nan 8.210 nan 0.000 0.421 54 P HA 0.190 nan 4.420 nan 0.000 0.268 54 P C 0.824 177.954 177.300 -0.284 0.000 1.204 54 P CA -0.093 62.606 63.100 -0.668 0.000 0.768 54 P CB 0.812 32.245 31.700 -0.444 0.000 0.842 55 R N 4.533 124.873 120.500 -0.268 0.000 2.105 55 R HA -0.209 3.998 4.340 -0.222 0.000 0.239 55 R C 1.865 178.153 176.300 -0.021 0.000 1.135 55 R CA 1.663 57.716 56.100 -0.078 0.000 0.967 55 R CB -0.190 30.069 30.300 -0.069 0.000 0.861 55 R HN 0.342 nan 8.270 nan 0.000 0.442 56 K N -0.002 120.347 120.400 -0.084 0.000 2.063 56 K HA -0.170 4.017 4.320 -0.222 0.000 0.208 56 K C 1.960 178.524 176.600 -0.061 0.000 1.048 56 K CA 1.807 58.055 56.287 -0.065 0.000 0.928 56 K CB -0.137 32.315 32.500 -0.079 0.000 0.713 56 K HN 0.317 nan 8.250 nan 0.000 0.442 57 C N 0.196 119.459 119.300 -0.062 0.000 2.453 57 C HA -0.099 4.228 4.460 -0.222 0.000 0.277 57 C C 2.401 177.364 174.990 -0.044 0.000 1.262 57 C CA 0.492 59.473 59.018 -0.062 0.000 1.718 57 C CB -1.023 26.692 27.740 -0.041 0.000 2.031 57 C HN 0.569 nan 8.230 nan 0.000 0.480 58 F N 2.218 122.099 119.950 -0.116 0.000 2.102 58 F HA -0.153 4.239 4.527 -0.226 0.000 0.298 58 F C 2.084 177.818 175.800 -0.110 0.000 1.105 58 F CA 2.051 59.998 58.000 -0.089 0.000 1.239 58 F CB -0.376 38.591 39.000 -0.054 0.000 0.991 58 F HN 0.185 nan 8.300 nan 0.000 0.474 59 D N 0.296 120.664 120.400 -0.053 0.000 2.144 59 D HA -0.222 4.285 4.640 -0.222 0.000 0.199 59 D C 2.113 178.270 176.300 -0.238 0.000 0.984 59 D CA 1.497 55.395 54.000 -0.172 0.000 0.834 59 D CB -0.481 40.286 40.800 -0.055 0.000 0.955 59 D HN 0.543 nan 8.370 nan 0.000 0.465 60 E N 0.387 120.471 120.200 -0.192 0.000 2.077 60 E HA -0.149 4.068 4.350 -0.222 0.000 0.193 60 E C 1.976 178.429 176.600 -0.244 0.000 0.989 60 E CA 0.993 57.279 56.400 -0.190 0.000 0.800 60 E CB 0.035 29.636 29.700 -0.165 0.000 0.746 60 E HN 0.168 nan 8.360 nan 0.000 0.452 61 A N 0.484 123.098 122.820 -0.344 0.000 1.902 61 A HA -0.131 4.056 4.320 -0.222 0.000 0.217 61 A C 2.392 179.834 177.584 -0.237 0.000 1.181 61 A CA 1.419 53.222 52.037 -0.389 0.000 0.623 61 A CB -0.634 18.086 19.000 -0.467 0.000 0.818 61 A HN 0.228 nan 8.150 nan 0.000 0.443 62 V N 0.042 119.686 119.914 -0.449 0.000 2.307 62 V HA -0.240 3.746 4.120 -0.222 0.000 0.245 62 V C 2.708 178.592 176.094 -0.350 0.000 1.045 62 V CA 1.991 63.944 62.300 -0.578 0.000 1.024 62 V CB -0.714 30.512 31.823 -0.996 0.000 0.651 62 V HN 0.543 nan 8.190 nan 0.000 0.449 63 Q N -0.901 118.739 119.800 -0.268 0.000 2.167 63 Q HA -0.096 4.111 4.340 -0.222 0.000 0.202 63 Q C 2.090 178.057 176.000 -0.054 0.000 0.970 63 Q CA 1.458 57.171 55.803 -0.150 0.000 0.855 63 Q CB -0.363 28.294 28.738 -0.136 0.000 0.911 63 Q HN 0.616 nan 8.270 nan 0.000 0.438 64 I N 0.580 121.139 120.570 -0.019 0.000 3.419 64 I HA -0.136 3.901 4.170 -0.222 0.000 0.286 64 I C 2.115 178.357 176.117 0.209 0.000 1.268 64 I CA 0.537 61.862 61.300 0.041 0.000 1.414 64 I CB 0.028 38.044 38.000 0.027 0.000 1.074 64 I HN 0.001 nan 8.210 nan 0.000 0.457 65 Q N 1.658 121.631 119.800 0.287 0.000 2.112 65 Q HA -0.144 4.063 4.340 -0.222 0.000 0.206 65 Q C -0.712 175.517 176.000 0.382 0.000 0.987 65 Q CA 2.358 58.426 55.803 0.442 0.000 0.858 65 Q CB -1.395 27.615 28.738 0.454 0.000 0.905 65 Q HN 0.279 nan 8.270 nan 0.000 0.420 66 P HA -0.090 nan 4.420 nan 0.000 0.221 66 P C 1.010 178.403 177.300 0.156 0.000 1.150 66 P CA 0.930 64.157 63.100 0.211 0.000 0.800 66 P CB 0.073 31.863 31.700 0.151 0.000 0.787 67 V N -1.553 118.414 119.914 0.087 0.000 2.379 67 V HA -0.203 3.784 4.120 -0.222 0.000 0.245 67 V C 2.044 178.117 176.094 -0.034 0.000 1.044 67 V CA 1.659 63.939 62.300 -0.033 0.000 1.036 67 V CB -1.294 30.433 31.823 -0.160 0.000 0.664 67 V HN -0.006 nan 8.190 nan 0.000 0.453 68 F N 1.146 121.153 119.950 0.095 0.000 2.134 68 F HA -0.109 4.307 4.527 -0.186 0.000 0.299 68 F C 2.361 178.220 175.800 0.099 0.000 1.097 68 F CA 1.409 59.422 58.000 0.021 0.000 1.264 68 F CB -0.728 38.293 39.000 0.036 0.000 1.001 68 F HN 0.195 nan 8.300 nan 0.000 0.479 69 N N 0.273 119.259 118.700 0.477 0.000 2.069 69 N HA -0.230 4.377 4.740 -0.222 0.000 0.191 69 N C 1.941 177.631 175.510 0.300 0.000 1.031 69 N CA 1.565 54.943 53.050 0.546 0.000 0.852 69 N CB -0.676 38.062 38.487 0.419 0.000 1.018 69 N HN 0.445 nan 8.380 nan 0.000 0.423 70 E N 0.276 120.568 120.200 0.153 0.000 2.077 70 E HA -0.165 4.051 4.350 -0.222 0.000 0.193 70 E C 1.961 178.544 176.600 -0.029 0.000 0.989 70 E CA 0.672 57.092 56.400 0.033 0.000 0.800 70 E CB -0.140 29.574 29.700 0.023 0.000 0.746 70 E HN 0.158 nan 8.360 nan 0.000 0.452 71 L N 0.327 121.529 121.223 -0.034 0.000 1.989 71 L HA -0.205 4.002 4.340 -0.222 0.000 0.211 71 L C 2.030 178.716 176.870 -0.306 0.000 1.071 71 L CA 1.902 56.647 54.840 -0.159 0.000 0.749 71 L CB -0.878 41.065 42.059 -0.193 0.000 0.890 71 L HN 0.237 nan 8.230 nan 0.000 0.431 72 Y N -0.498 119.674 120.300 -0.213 0.000 2.373 72 Y HA -0.055 4.388 4.550 -0.178 0.000 0.293 72 Y C 2.448 178.239 175.900 -0.182 0.000 1.129 72 Y CA 1.076 59.038 58.100 -0.230 0.000 1.226 72 Y CB -0.602 37.656 38.460 -0.337 0.000 1.000 72 Y HN 0.348 nan 8.280 nan 0.000 0.549 73 A N 0.236 122.952 122.820 -0.174 0.000 1.873 73 A HA -0.145 4.042 4.320 -0.222 0.000 0.215 73 A C 2.242 179.567 177.584 -0.432 0.000 1.186 73 A CA 1.190 52.753 52.037 -0.789 0.000 0.616 73 A CB -0.282 18.123 19.000 -0.992 0.000 0.823 73 A HN 0.171 nan 8.150 nan 0.000 0.442 74 R N -0.128 120.238 120.500 -0.222 0.000 2.096 74 R HA -0.040 4.167 4.340 -0.222 0.000 0.235 74 R C 1.949 178.231 176.300 -0.030 0.000 1.127 74 R CA 1.345 57.417 56.100 -0.046 0.000 0.968 74 R CB -1.054 29.292 30.300 0.076 0.000 0.861 74 R HN 0.658 nan 8.270 nan 0.000 0.440 75 I N 0.351 120.746 120.570 -0.292 0.000 2.179 75 I HA -0.255 3.782 4.170 -0.222 0.000 0.242 75 I C 2.052 178.109 176.117 -0.099 0.000 1.088 75 I CA 1.527 62.565 61.300 -0.437 0.000 1.357 75 I CB -0.458 37.142 38.000 -0.666 0.000 1.051 75 I HN 0.131 nan 8.210 nan 0.000 0.409 76 T N 0.120 114.668 114.554 -0.011 0.000 2.720 76 T HA -0.240 3.977 4.350 -0.222 0.000 0.268 76 T C 1.856 176.666 174.700 0.183 0.000 1.037 76 T CA 1.388 63.577 62.100 0.148 0.000 1.144 76 T CB -0.263 68.820 68.868 0.358 0.000 0.864 76 T HN 0.411 nan 8.240 nan 0.000 0.444 77 Q N 0.383 120.292 119.800 0.181 0.000 2.124 77 Q HA -0.145 4.062 4.340 -0.222 0.000 0.202 77 Q C 2.150 178.247 176.000 0.163 0.000 0.977 77 Q CA 1.394 57.310 55.803 0.188 0.000 0.850 77 Q CB -0.172 28.660 28.738 0.157 0.000 0.901 77 Q HN 0.407 nan 8.270 nan 0.000 0.429 78 D N 0.371 120.874 120.400 0.173 0.000 2.149 78 D HA -0.115 4.392 4.640 -0.222 0.000 0.201 78 D C 1.726 178.143 176.300 0.194 0.000 0.972 78 D CA 0.866 54.988 54.000 0.203 0.000 0.835 78 D CB 0.009 41.009 40.800 0.333 0.000 0.966 78 D HN 0.117 nan 8.370 nan 0.000 0.476 79 M N -0.259 119.441 119.600 0.166 0.000 2.296 79 M HA -0.054 4.292 4.480 -0.222 0.000 0.265 79 M C 1.682 178.121 176.300 0.232 0.000 1.064 79 M CA 1.178 56.585 55.300 0.178 0.000 1.109 79 M CB 0.066 32.724 32.600 0.098 0.000 1.396 79 M HN 0.087 nan 8.290 nan 0.000 0.430 80 A N -0.294 122.639 122.820 0.188 0.000 2.239 80 A HA -0.023 4.163 4.320 -0.222 0.000 0.209 80 A C 0.705 178.423 177.584 0.223 0.000 1.171 80 A CA 0.372 52.537 52.037 0.214 0.000 0.768 80 A CB -0.321 18.783 19.000 0.173 0.000 0.790 80 A HN 0.561 nan 8.150 nan 0.000 0.478 81 Q N -0.203 119.712 119.800 0.191 0.000 2.390 81 Q HA 0.185 4.392 4.340 -0.222 0.000 0.249 81 Q C -1.943 174.079 176.000 0.038 0.000 0.996 81 Q CA -2.053 53.817 55.803 0.111 0.000 0.899 81 Q CB 1.074 29.871 28.738 0.098 0.000 1.216 81 Q HN 0.181 nan 8.270 nan 0.000 0.465 82 P HA -0.190 nan 4.420 nan 0.000 0.221 82 P C 0.171 177.208 177.300 -0.439 0.000 1.145 82 P CA 1.248 64.007 63.100 -0.568 0.000 0.795 82 P CB 0.226 31.741 31.700 -0.308 0.000 0.775 83 D N -1.985 118.332 120.400 -0.139 0.000 2.342 83 D HA 0.020 4.526 4.640 -0.222 0.000 0.221 83 D C 0.308 176.631 176.300 0.039 0.000 1.101 83 D CA -0.133 53.841 54.000 -0.042 0.000 0.837 83 D CB -0.673 40.118 40.800 -0.014 0.000 0.938 83 D HN 0.103 nan 8.370 nan 0.000 0.508 84 S N -0.934 114.815 115.700 0.082 0.000 2.652 84 S HA 0.230 4.567 4.470 -0.222 0.000 0.270 84 S C 0.925 175.649 174.600 0.206 0.000 1.243 84 S CA -0.846 57.447 58.200 0.156 0.000 0.999 84 S CB 1.095 64.401 63.200 0.177 0.000 0.973 84 S HN 0.139 nan 8.310 nan 0.000 0.544 85 Y N 1.662 122.017 120.300 0.093 0.000 2.200 85 Y HA -0.018 4.399 4.550 -0.223 0.000 0.290 85 Y C 1.861 177.816 175.900 0.092 0.000 1.137 85 Y CA 1.631 59.778 58.100 0.078 0.000 1.163 85 Y CB -0.433 38.055 38.460 0.047 0.000 0.988 85 Y HN 0.632 nan 8.280 nan 0.000 0.518 86 L N 0.212 121.469 121.223 0.058 0.000 2.131 86 L HA -0.149 4.057 4.340 -0.222 0.000 0.210 86 L C 2.397 179.241 176.870 -0.043 0.000 1.092 86 L CA 2.335 57.150 54.840 -0.042 0.000 0.759 86 L CB -1.142 40.995 42.059 0.130 0.000 0.903 86 L HN 0.505 nan 8.230 nan 0.000 0.435 87 H N -0.772 118.306 119.070 0.015 0.000 2.321 87 H HA -0.137 4.286 4.556 -0.222 0.000 0.300 87 H C 2.087 177.390 175.328 -0.042 0.000 1.087 87 H CA 1.911 58.033 56.048 0.122 0.000 1.319 87 H CB 0.219 30.118 29.762 0.229 0.000 1.379 87 H HN 0.107 nan 8.280 nan 0.000 0.501 88 K N -0.271 120.147 120.400 0.031 0.000 2.057 88 K HA -0.078 4.108 4.320 -0.222 0.000 0.206 88 K C 2.306 178.712 176.600 -0.323 0.000 1.050 88 K CA 1.539 57.762 56.287 -0.106 0.000 0.935 88 K CB -0.544 31.926 32.500 -0.049 0.000 0.715 88 K HN 0.375 nan 8.250 nan 0.000 0.439 89 T N 1.222 115.513 114.554 -0.438 0.000 2.684 89 T HA -0.123 4.093 4.350 -0.222 0.000 0.267 89 T C 1.911 176.364 174.700 -0.411 0.000 1.036 89 T CA 2.106 63.931 62.100 -0.458 0.000 1.148 89 T CB -0.347 68.184 68.868 -0.563 0.000 0.863 89 T HN 0.315 nan 8.240 nan 0.000 0.436 90 T N 1.388 115.660 114.554 -0.470 0.000 2.777 90 T HA -0.078 4.138 4.350 -0.222 0.000 0.266 90 T C 1.914 176.029 174.700 -0.974 0.000 1.040 90 T CA 1.348 63.094 62.100 -0.590 0.000 1.141 90 T CB -0.241 68.310 68.868 -0.528 0.000 0.868 90 T HN 0.554 nan 8.240 nan 0.000 0.444 91 E N 1.162 120.589 120.200 -1.288 0.000 2.085 91 E HA -0.150 4.066 4.350 -0.222 0.000 0.194 91 E C 2.379 178.546 176.600 -0.721 0.000 0.994 91 E CA 1.098 56.621 56.400 -1.461 0.000 0.801 91 E CB -0.254 28.923 29.700 -0.870 0.000 0.743 91 E HN 0.473 nan 8.360 nan 0.000 0.453 92 A N 1.164 123.700 122.820 -0.474 0.000 1.883 92 A HA -0.165 4.022 4.320 -0.222 0.000 0.217 92 A C 2.657 180.085 177.584 -0.259 0.000 1.186 92 A CA 2.352 54.217 52.037 -0.288 0.000 0.624 92 A CB -1.407 17.463 19.000 -0.216 0.000 0.822 92 A HN 0.374 nan 8.150 nan 0.000 0.444 93 L N -1.113 119.938 121.223 -0.287 0.000 2.046 93 L HA 0.209 4.416 4.340 -0.222 0.000 0.208 93 L C 2.961 179.704 176.870 -0.211 0.000 1.077 93 L CA 2.653 57.367 54.840 -0.210 0.000 0.747 93 L CB -2.172 39.770 42.059 -0.194 0.000 0.896 93 L HN 0.691 nan 8.230 nan 0.000 0.432 94 A N -0.614 122.016 122.820 -0.317 0.000 1.877 94 A HA -0.096 4.090 4.320 -0.222 0.000 0.216 94 A C 2.354 179.831 177.584 -0.178 0.000 1.186 94 A CA 1.640 53.530 52.037 -0.245 0.000 0.620 94 A CB -0.642 18.158 19.000 -0.333 0.000 0.822 94 A HN 0.651 nan 8.150 nan 0.000 0.443 95 L N -0.440 120.657 121.223 -0.210 0.000 2.265 95 L HA -0.169 4.038 4.340 -0.222 0.000 0.215 95 L C 3.077 179.888 176.870 -0.098 0.000 1.117 95 L CA 1.049 55.810 54.840 -0.132 0.000 0.782 95 L CB -0.466 41.517 42.059 -0.128 0.000 0.914 95 L HN 0.553 nan 8.230 nan 0.000 0.441 96 S N -0.916 114.722 115.700 -0.102 0.000 2.489 96 S HA -0.138 4.199 4.470 -0.222 0.000 0.228 96 S C 1.123 175.683 174.600 -0.066 0.000 0.995 96 S CA 1.015 59.172 58.200 -0.072 0.000 0.934 96 S CB -0.079 63.084 63.200 -0.062 0.000 0.771 96 S HN 0.308 nan 8.310 nan 0.000 0.522 97 D N 0.356 120.716 120.400 -0.066 0.000 2.749 97 D HA 0.269 4.775 4.640 -0.222 0.000 0.338 97 D C 1.336 177.613 176.300 -0.039 0.000 1.236 97 D CA 0.343 54.322 54.000 -0.035 0.000 0.845 97 D CB 0.198 40.996 40.800 -0.003 0.000 1.080 97 D HN 0.126 nan 8.370 nan 0.000 0.497 98 S N 0.478 116.143 115.700 -0.059 0.000 2.419 98 S HA -0.185 4.152 4.470 -0.222 0.000 0.235 98 S C 1.462 176.003 174.600 -0.100 0.000 1.019 98 S CA 0.716 58.865 58.200 -0.085 0.000 0.982 98 S CB -0.077 63.076 63.200 -0.078 0.000 0.789 98 S HN 0.268 nan 8.310 nan 0.000 0.490 99 E N -0.405 119.775 120.200 -0.033 0.000 2.358 99 E HA 0.179 4.395 4.350 -0.222 0.000 0.195 99 E C 1.020 177.683 176.600 0.105 0.000 1.010 99 E CA 0.510 56.914 56.400 0.006 0.000 0.856 99 E CB -0.144 29.587 29.700 0.053 0.000 0.795 99 E HN 0.711 nan 8.360 nan 0.000 0.504 100 F N -0.251 119.661 119.950 -0.064 0.000 1.881 100 F HA 0.055 4.445 4.527 -0.229 0.000 0.233 100 F C 2.029 177.819 175.800 -0.017 0.000 1.186 100 F CA 0.939 58.946 58.000 0.012 0.000 1.298 100 F CB -0.214 38.839 39.000 0.087 0.000 1.756 100 F HN -0.229 nan 8.300 nan 0.000 0.431 101 T N 0.395 114.881 114.554 -0.113 0.000 2.759 101 T HA -0.085 4.132 4.350 -0.222 0.000 0.269 101 T C 2.010 176.616 174.700 -0.158 0.000 1.042 101 T CA 1.590 63.579 62.100 -0.185 0.000 1.140 101 T CB -1.132 67.719 68.868 -0.029 0.000 0.864 101 T HN 0.461 nan 8.240 nan 0.000 0.455 102 G N 1.366 110.083 108.800 -0.138 0.000 2.432 102 G HA2 -0.170 3.657 3.960 -0.222 0.000 0.219 102 G HA3 -0.170 3.657 3.960 -0.222 0.000 0.219 102 G C 1.615 176.407 174.900 -0.181 0.000 1.135 102 G CA 0.498 45.535 45.100 -0.104 0.000 0.767 102 G HN 0.428 nan 8.290 nan 0.000 0.550 103 K N -0.269 119.877 120.400 -0.423 0.000 2.103 103 K HA 0.160 4.347 4.320 -0.222 0.000 0.204 103 K C 2.469 178.756 176.600 -0.523 0.000 1.052 103 K CA 0.407 56.255 56.287 -0.732 0.000 0.945 103 K CB -0.214 31.311 32.500 -1.625 0.000 0.722 103 K HN 0.256 nan 8.250 nan 0.000 0.443 104 L N 0.023 121.021 121.223 -0.375 0.000 2.046 104 L HA -0.188 4.018 4.340 -0.222 0.000 0.208 104 L C 2.416 179.285 176.870 -0.002 0.000 1.077 104 L CA 1.110 55.877 54.840 -0.121 0.000 0.747 104 L CB -0.427 41.535 42.059 -0.162 0.000 0.896 104 L HN 0.467 nan 8.230 nan 0.000 0.432 105 W N 0.601 121.814 121.300 -0.146 0.000 2.381 105 W HA -0.190 4.334 4.660 -0.227 0.000 0.301 105 W C 2.451 178.966 176.519 -0.006 0.000 1.205 105 W CA 1.652 58.972 57.345 -0.042 0.000 1.285 105 W CB 0.001 29.407 29.460 -0.091 0.000 1.133 105 W HN 0.127 nan 8.180 nan 0.000 0.521 106 S N 1.271 116.952 115.700 -0.032 0.000 2.382 106 S HA -0.167 4.170 4.470 -0.222 0.000 0.228 106 S C 1.899 176.403 174.600 -0.161 0.000 1.027 106 S CA 1.404 59.533 58.200 -0.119 0.000 0.991 106 S CB -0.582 62.545 63.200 -0.121 0.000 0.823 106 S HN 0.240 nan 8.310 nan 0.000 0.469 107 L N -0.154 120.998 121.223 -0.118 0.000 2.056 107 L HA -0.121 4.085 4.340 -0.222 0.000 0.207 107 L C 2.393 179.208 176.870 -0.091 0.000 1.078 107 L CA 1.636 56.442 54.840 -0.057 0.000 0.749 107 L CB -0.755 41.327 42.059 0.039 0.000 0.901 107 L HN 0.349 nan 8.230 nan 0.000 0.433 108 Y N 1.209 121.357 120.300 -0.253 0.000 2.128 108 Y HA -0.245 4.174 4.550 -0.219 0.000 0.284 108 Y C 2.383 178.062 175.900 -0.369 0.000 1.154 108 Y CA 1.433 59.335 58.100 -0.331 0.000 1.149 108 Y CB -0.419 37.726 38.460 -0.525 0.000 0.976 108 Y HN -0.013 nan 8.280 nan 0.000 0.505 109 L N -0.093 120.694 121.223 -0.726 0.000 2.079 109 L HA -0.243 3.964 4.340 -0.222 0.000 0.210 109 L C 2.778 179.403 176.870 -0.408 0.000 1.081 109 L CA 1.212 55.673 54.840 -0.632 0.000 0.752 109 L CB -1.090 40.744 42.059 -0.374 0.000 0.896 109 L HN 0.378 nan 8.230 nan 0.000 0.433 110 A N 0.152 122.805 122.820 -0.278 0.000 1.972 110 A HA -0.207 3.980 4.320 -0.222 0.000 0.219 110 A C 2.368 179.851 177.584 -0.169 0.000 1.169 110 A CA 2.080 54.016 52.037 -0.169 0.000 0.635 110 A CB -0.855 18.089 19.000 -0.093 0.000 0.810 110 A HN 0.545 nan 8.150 nan 0.000 0.446 111 T N -2.238 112.181 114.554 -0.225 0.000 3.072 111 T HA 0.100 4.316 4.350 -0.222 0.000 0.266 111 T C 1.535 176.109 174.700 -0.211 0.000 1.127 111 T CA 0.999 63.000 62.100 -0.166 0.000 1.107 111 T CB -0.409 68.395 68.868 -0.106 0.000 0.910 111 T HN 0.323 nan 8.240 nan 0.000 0.513 112 L N -0.199 120.834 121.223 -0.318 0.000 2.478 112 L HA 0.190 4.396 4.340 -0.222 0.000 0.223 112 L C 1.272 178.044 176.870 -0.163 0.000 1.140 112 L CA 0.321 55.006 54.840 -0.259 0.000 0.842 112 L CB -0.285 41.578 42.059 -0.327 0.000 0.953 112 L HN 0.189 nan 8.230 nan 0.000 0.452 113 K N 0.479 120.793 120.400 -0.145 0.000 2.380 113 K HA 0.103 4.290 4.320 -0.222 0.000 0.267 113 K C 0.500 177.036 176.600 -0.107 0.000 0.990 113 K CA -0.300 55.924 56.287 -0.106 0.000 0.946 113 K CB 0.571 33.020 32.500 -0.085 0.000 0.937 113 K HN -0.035 nan 8.250 nan 0.000 0.491 114 S N 0.727 116.370 115.700 -0.095 0.000 2.563 114 S HA 0.187 4.523 4.470 -0.222 0.000 0.284 114 S C -0.056 174.452 174.600 -0.153 0.000 1.331 114 S CA -0.602 57.532 58.200 -0.110 0.000 1.047 114 S CB 0.871 64.022 63.200 -0.082 0.000 0.859 114 S HN 0.651 nan 8.310 nan 0.000 0.514 115 A N 1.597 124.273 122.820 -0.240 0.000 2.423 115 A HA 0.726 4.912 4.320 -0.222 0.000 0.304 115 A C 0.565 177.932 177.584 -0.363 0.000 1.104 115 A CA -0.348 51.433 52.037 -0.428 0.000 0.757 115 A CB 0.636 19.105 19.000 -0.884 0.000 1.313 115 A HN 0.840 nan 8.150 nan 0.000 0.423 116 Q N -0.385 119.241 119.800 -0.291 0.000 2.482 116 Q HA 0.346 4.552 4.340 -0.222 0.000 0.209 116 Q C 0.085 176.077 176.000 -0.013 0.000 0.961 116 Q CA 1.531 57.288 55.803 -0.077 0.000 0.945 116 Q CB -0.848 27.925 28.738 0.059 0.000 1.012 116 Q HN 1.187 nan 8.270 nan 0.000 0.515 117 Y N -3.393 116.907 120.300 0.001 0.000 2.605 117 Y HA 0.648 5.064 4.550 -0.223 0.000 0.343 117 Y C -0.225 175.676 175.900 0.002 0.000 1.036 117 Y CA -2.435 55.651 58.100 -0.023 0.000 1.065 117 Y CB 1.273 39.703 38.460 -0.050 0.000 1.288 117 Y HN -0.121 nan 8.280 nan 0.000 0.481 118 K N 2.318 122.822 120.400 0.174 0.000 2.451 118 K HA 0.129 4.315 4.320 -0.222 0.000 0.280 118 K C -0.614 176.229 176.600 0.405 0.000 1.020 118 K CA -0.140 56.254 56.287 0.178 0.000 1.008 118 K CB 0.544 33.129 32.500 0.141 0.000 0.917 118 K HN 0.590 nan 8.250 nan 0.000 0.478 119 K N 2.044 122.624 120.400 0.300 0.000 2.154 119 K HA 0.027 4.213 4.320 -0.222 0.000 0.264 119 K C 0.011 176.835 176.600 0.373 0.000 1.008 119 K CA -0.525 55.982 56.287 0.366 0.000 0.937 119 K CB 0.648 33.240 32.500 0.154 0.000 1.002 119 K HN 0.306 nan 8.250 nan 0.000 0.469 120 Q N 1.862 121.786 119.800 0.206 0.000 2.307 120 Q HA 0.078 4.285 4.340 -0.222 0.000 0.259 120 Q C -0.370 175.623 176.000 -0.012 0.000 0.998 120 Q CA 0.437 56.146 55.803 -0.157 0.000 0.923 120 Q CB 0.517 28.991 28.738 -0.440 0.000 1.196 120 Q HN 0.445 nan 8.270 nan 0.000 0.416 121 N N 3.406 122.127 118.700 0.035 0.000 2.205 121 N HA 0.098 4.705 4.740 -0.222 0.000 0.201 121 N C -0.893 174.537 175.510 -0.133 0.000 1.128 121 N CA 0.135 53.168 53.050 -0.028 0.000 0.867 121 N CB 0.417 38.879 38.487 -0.042 0.000 0.996 121 N HN 0.401 nan 8.380 nan 0.000 0.503 122 F N 2.541 122.393 119.950 -0.164 0.000 2.396 122 F HA 0.345 4.737 4.527 -0.225 0.000 0.343 122 F C 1.211 176.848 175.800 -0.272 0.000 1.104 122 F CA -0.517 57.361 58.000 -0.204 0.000 1.161 122 F CB 0.878 39.778 39.000 -0.167 0.000 1.146 122 F HN -0.138 nan 8.300 nan 0.000 0.522 123 R N 2.926 123.260 120.500 -0.277 0.000 2.808 123 R HA 0.768 4.974 4.340 -0.222 0.000 0.272 123 R C -2.314 173.765 176.300 -0.369 0.000 0.995 123 R CA -1.112 54.786 56.100 -0.337 0.000 0.917 123 R CB 1.719 31.755 30.300 -0.441 0.000 1.217 123 R HN 0.617 nan 8.270 nan 0.000 0.471 124 L N 0.426 121.524 121.223 -0.209 0.000 2.349 124 L HA 0.633 4.840 4.340 -0.222 0.000 0.278 124 L C -0.516 176.285 176.870 -0.115 0.000 0.996 124 L CA -0.068 54.685 54.840 -0.146 0.000 0.825 124 L CB 2.020 43.986 42.059 -0.155 0.000 1.243 124 L HN 0.905 nan 8.230 nan 0.000 0.412 125 G N 6.268 114.978 108.800 -0.150 0.000 2.356 125 G HA2 0.524 4.351 3.960 -0.222 0.000 0.312 125 G HA3 0.524 4.351 3.960 -0.222 0.000 0.312 125 G C -0.562 173.830 174.900 -0.846 0.000 1.096 125 G CA -0.356 44.403 45.100 -0.568 0.000 0.950 125 G HN 0.601 nan 8.290 nan 0.000 0.428 126 I N 3.331 123.630 120.570 -0.452 0.000 2.307 126 I HA 0.333 4.370 4.170 -0.222 0.000 0.287 126 I C -0.369 175.729 176.117 -0.031 0.000 1.054 126 I CA -0.290 60.866 61.300 -0.240 0.000 1.218 126 I CB 0.332 38.275 38.000 -0.097 0.000 1.398 126 I HN 0.315 nan 8.210 nan 0.000 0.475 127 F N 4.745 124.687 119.950 -0.014 0.000 2.557 127 F HA 0.691 5.055 4.527 -0.271 0.000 0.336 127 F C 0.385 176.039 175.800 -0.243 0.000 1.058 127 F CA -1.163 56.702 58.000 -0.225 0.000 0.988 127 F CB 1.796 40.617 39.000 -0.298 0.000 1.275 127 F HN 0.280 nan 8.300 nan 0.000 0.488 128 R N 0.798 121.088 120.500 -0.350 0.000 2.522 128 R HA 0.295 4.502 4.340 -0.222 0.000 0.283 128 R C -1.670 174.249 176.300 -0.635 0.000 1.074 128 R CA -0.378 55.483 56.100 -0.398 0.000 0.925 128 R CB 2.102 32.168 30.300 -0.390 0.000 1.205 128 R HN 0.678 nan 8.270 nan 0.000 0.436 129 S N 2.545 117.987 115.700 -0.430 0.000 2.442 129 S HA 0.329 4.665 4.470 -0.222 0.000 0.297 129 S C -0.974 173.302 174.600 -0.541 0.000 1.131 129 S CA -0.642 57.278 58.200 -0.468 0.000 1.092 129 S CB 0.856 63.912 63.200 -0.240 0.000 0.998 129 S HN 0.496 nan 8.310 nan 0.000 0.478 130 D N 3.230 123.260 120.400 -0.617 0.000 2.192 130 D HA 0.427 4.933 4.640 -0.222 0.000 0.246 130 D C -1.092 174.855 176.300 -0.589 0.000 1.042 130 D CA 0.125 53.859 54.000 -0.443 0.000 0.847 130 D CB 1.134 41.782 40.800 -0.254 0.000 1.186 130 D HN 0.514 nan 8.370 nan 0.000 0.461 131 Y N 0.245 120.543 120.300 -0.004 0.000 2.545 131 Y HA 0.507 4.939 4.550 -0.197 0.000 0.348 131 Y C -0.059 175.864 175.900 0.038 0.000 1.002 131 Y CA -0.989 57.128 58.100 0.029 0.000 1.039 131 Y CB 1.818 40.306 38.460 0.046 0.000 1.271 131 Y HN 0.060 nan 8.280 nan 0.000 0.467 132 L N 3.240 124.590 121.223 0.212 0.000 2.346 132 L HA 0.538 4.745 4.340 -0.222 0.000 0.274 132 L C -0.705 176.252 176.870 0.143 0.000 1.007 132 L CA -0.842 54.084 54.840 0.143 0.000 0.818 132 L CB 1.855 43.975 42.059 0.101 0.000 1.284 132 L HN 0.562 nan 8.230 nan 0.000 0.424 133 I N 2.060 122.695 120.570 0.109 0.000 2.278 133 I HA 0.047 4.083 4.170 -0.222 0.000 0.296 133 I C -0.042 176.117 176.117 0.071 0.000 1.121 133 I CA -0.226 61.125 61.300 0.085 0.000 1.267 133 I CB 0.520 38.563 38.000 0.072 0.000 1.447 133 I HN 0.548 nan 8.210 nan 0.000 0.509 134 D N 6.690 127.133 120.400 0.072 0.000 2.424 134 D HA 0.119 4.625 4.640 -0.222 0.000 0.244 134 D C -0.434 175.893 176.300 0.045 0.000 1.134 134 D CA 0.399 54.434 54.000 0.059 0.000 0.881 134 D CB 0.701 41.539 40.800 0.064 0.000 1.191 134 D HN 0.337 nan 8.370 nan 0.000 0.445 135 K N 2.065 122.487 120.400 0.038 0.000 2.604 135 K HA 0.388 4.575 4.320 -0.222 0.000 0.247 135 K C -1.227 175.388 176.600 0.025 0.000 0.956 135 K CA -0.773 55.533 56.287 0.032 0.000 0.896 135 K CB 1.686 34.206 32.500 0.035 0.000 1.131 135 K HN 0.024 nan 8.250 nan 0.000 0.440 136 K N 2.219 122.632 120.400 0.022 0.000 2.471 136 K HA 0.269 4.456 4.320 -0.222 0.000 0.252 136 K C -0.710 175.899 176.600 0.016 0.000 0.938 136 K CA -1.098 55.199 56.287 0.017 0.000 0.796 136 K CB 1.589 34.099 32.500 0.017 0.000 1.161 136 K HN 0.577 nan 8.250 nan 0.000 0.425 137 K N 0.581 120.989 120.400 0.013 0.000 3.071 137 K HA -0.271 3.915 4.320 -0.222 0.000 0.262 137 K C 0.810 177.417 176.600 0.013 0.000 0.977 137 K CA 1.169 57.463 56.287 0.012 0.000 0.721 137 K CB -2.029 30.478 32.500 0.012 0.000 1.293 137 K HN 1.455 nan 8.250 nan 0.000 0.475 138 G N -0.496 108.313 108.800 0.015 0.000 2.184 138 G HA2 -0.374 3.453 3.960 -0.222 0.000 0.264 138 G HA3 -0.374 3.453 3.960 -0.222 0.000 0.264 138 G C 0.192 175.102 174.900 0.016 0.000 0.975 138 G CA 1.174 46.284 45.100 0.016 0.000 0.642 138 G HN 0.938 nan 8.290 nan 0.000 0.536 139 T N -1.015 113.549 114.554 0.016 0.000 2.744 139 T HA 0.596 4.813 4.350 -0.222 0.000 0.291 139 T C -0.181 174.529 174.700 0.017 0.000 0.957 139 T CA -0.133 61.975 62.100 0.013 0.000 1.002 139 T CB 1.669 70.544 68.868 0.012 0.000 0.919 139 T HN 0.286 nan 8.240 nan 0.000 0.468 140 E N 2.657 122.865 120.200 0.013 0.000 2.146 140 E HA 0.387 4.604 4.350 -0.222 0.000 0.282 140 E C -0.751 175.852 176.600 0.005 0.000 0.989 140 E CA -0.609 55.800 56.400 0.014 0.000 0.799 140 E CB 0.993 30.698 29.700 0.009 0.000 1.088 140 E HN 0.641 nan 8.360 nan 0.000 0.397 141 Q N 3.978 123.787 119.800 0.015 0.000 2.268 141 Q HA 0.258 4.464 4.340 -0.222 0.000 0.266 141 Q C -1.209 174.808 176.000 0.029 0.000 1.006 141 Q CA -0.648 55.161 55.803 0.010 0.000 0.824 141 Q CB 0.957 29.706 28.738 0.019 0.000 1.306 141 Q HN 0.674 nan 8.270 nan 0.000 0.424 142 I N 0.776 121.342 120.570 -0.006 0.000 2.710 142 I HA 0.408 4.445 4.170 -0.222 0.000 0.286 142 I C -0.485 175.718 176.117 0.144 0.000 1.181 142 I CA -0.148 61.163 61.300 0.018 0.000 1.430 142 I CB 0.506 38.369 38.000 -0.229 0.000 1.367 142 I HN 0.245 nan 8.210 nan 0.000 0.577 143 K N 5.845 126.402 120.400 0.262 0.000 2.397 143 K HA 0.285 4.471 4.320 -0.222 0.000 0.253 143 K C -0.976 175.840 176.600 0.360 0.000 0.932 143 K CA -0.662 55.801 56.287 0.294 0.000 0.795 143 K CB 2.099 34.711 32.500 0.186 0.000 1.159 143 K HN 0.745 nan 8.250 nan 0.000 0.424 144 Q N 2.572 122.584 119.800 0.353 0.000 2.286 144 Q HA 0.073 4.280 4.340 -0.222 0.000 0.267 144 Q C 0.463 176.466 176.000 0.005 0.000 1.028 144 Q CA -0.067 55.771 55.803 0.059 0.000 0.901 144 Q CB 0.842 29.633 28.738 0.088 0.000 1.183 144 Q HN 0.386 nan 8.270 nan 0.000 0.392 145 V N 3.855 123.716 119.914 -0.089 0.000 2.302 145 V HA -0.108 3.879 4.120 -0.222 0.000 0.243 145 V C 0.487 176.530 176.094 -0.085 0.000 1.036 145 V CA 1.996 64.265 62.300 -0.053 0.000 1.020 145 V CB -0.436 31.353 31.823 -0.056 0.000 0.657 145 V HN 0.971 nan 8.190 nan 0.000 0.453 146 E N -1.811 118.295 120.200 -0.157 0.000 2.429 146 E HA 0.372 4.588 4.350 -0.222 0.000 0.280 146 E C -1.556 174.916 176.600 -0.213 0.000 1.068 146 E CA -0.800 55.513 56.400 -0.145 0.000 0.837 146 E CB 1.402 31.031 29.700 -0.118 0.000 1.357 146 E HN -0.051 nan 8.360 nan 0.000 0.455 147 F N 1.904 121.617 119.950 -0.395 0.000 2.427 147 F HA 0.457 4.940 4.527 -0.073 0.000 0.348 147 F C -0.855 174.657 175.800 -0.480 0.000 1.125 147 F CA -0.712 56.946 58.000 -0.571 0.000 0.989 147 F CB 1.308 39.795 39.000 -0.855 0.000 1.165 147 F HN 0.366 nan 8.300 nan 0.000 0.442 148 N N 3.963 122.175 118.700 -0.814 0.000 2.419 148 N HA 0.139 4.745 4.740 -0.222 0.000 0.264 148 N C 0.395 175.579 175.510 -0.544 0.000 1.031 148 N CA 0.194 52.935 53.050 -0.515 0.000 0.951 148 N CB 1.518 39.785 38.487 -0.365 0.000 1.101 148 N HN 0.709 nan 8.380 nan 0.000 0.488 149 T N -1.985 112.405 114.554 -0.272 0.000 3.085 149 T HA 0.207 4.424 4.350 -0.222 0.000 0.264 149 T C 0.231 175.050 174.700 0.199 0.000 1.019 149 T CA -0.309 61.775 62.100 -0.026 0.000 0.910 149 T CB 0.063 68.903 68.868 -0.046 0.000 1.059 149 T HN 0.248 nan 8.240 nan 0.000 0.542 150 V N 0.278 120.240 119.914 0.080 0.000 2.969 150 V HA 0.646 4.633 4.120 -0.222 0.000 0.304 150 V C 0.018 176.105 176.094 -0.012 0.000 1.192 150 V CA 0.041 62.404 62.300 0.104 0.000 0.962 150 V CB 1.681 33.588 31.823 0.141 0.000 1.045 150 V HN 0.451 nan 8.190 nan 0.000 0.428 151 S N 3.388 119.089 115.700 0.002 0.000 3.491 151 S HA -0.151 4.185 4.470 -0.222 0.000 0.371 151 S C -0.045 174.429 174.600 -0.208 0.000 0.980 151 S CA 0.841 58.963 58.200 -0.130 0.000 1.204 151 S CB -1.320 61.798 63.200 -0.137 0.000 0.915 151 S HN 2.231 nan 8.310 nan 0.000 0.482 152 V N 0.907 120.773 119.914 -0.081 0.000 2.585 152 V HA 0.652 4.639 4.120 -0.222 0.000 0.296 152 V C 0.784 176.848 176.094 -0.049 0.000 1.035 152 V CA 0.045 62.311 62.300 -0.058 0.000 1.084 152 V CB 1.369 33.233 31.823 0.068 0.000 0.953 152 V HN 0.519 nan 8.190 nan 0.000 0.483 153 S N 3.820 119.432 115.700 -0.146 0.000 2.713 153 S HA 0.777 5.114 4.470 -0.222 0.000 0.283 153 S C -0.127 174.454 174.600 -0.031 0.000 1.161 153 S CA -0.201 57.794 58.200 -0.341 0.000 0.999 153 S CB 0.612 63.223 63.200 -0.981 0.000 1.039 153 S HN 1.094 nan 8.310 nan 0.000 0.548 154 F N -1.674 118.339 119.950 0.106 0.000 2.746 154 F HA -0.258 4.118 4.527 -0.251 0.000 0.315 154 F C 1.672 177.535 175.800 0.105 0.000 0.666 154 F CA 0.132 58.208 58.000 0.127 0.000 1.381 154 F CB -2.217 36.878 39.000 0.160 0.000 1.739 154 F HN 0.613 nan 8.300 nan 0.000 0.322 155 A N 0.227 123.067 122.820 0.034 0.000 1.972 155 A HA 0.145 4.331 4.320 -0.222 0.000 0.219 155 A C 2.441 179.994 177.584 -0.051 0.000 1.169 155 A CA 2.162 54.018 52.037 -0.303 0.000 0.635 155 A CB -1.013 17.618 19.000 -0.615 0.000 0.810 155 A HN 0.649 nan 8.150 nan 0.000 0.446 156 G N -0.375 108.448 108.800 0.038 0.000 2.404 156 G HA2 -0.027 3.799 3.960 -0.222 0.000 0.213 156 G HA3 -0.027 3.799 3.960 -0.222 0.000 0.213 156 G C 1.486 176.457 174.900 0.119 0.000 1.189 156 G CA 0.755 45.899 45.100 0.074 0.000 0.796 156 G HN 0.401 nan 8.290 nan 0.000 0.532 157 L N 1.174 122.504 121.223 0.178 0.000 2.201 157 L HA -0.055 4.152 4.340 -0.222 0.000 0.212 157 L C 3.069 180.020 176.870 0.134 0.000 1.105 157 L CA 1.061 56.005 54.840 0.172 0.000 0.775 157 L CB -0.367 41.830 42.059 0.230 0.000 0.913 157 L HN 0.377 nan 8.230 nan 0.000 0.440 158 S N 0.304 116.102 115.700 0.163 0.000 2.370 158 S HA -0.241 4.095 4.470 -0.222 0.000 0.226 158 S C 1.820 176.485 174.600 0.109 0.000 1.033 158 S CA 1.665 59.949 58.200 0.141 0.000 1.011 158 S CB -0.123 63.218 63.200 0.235 0.000 0.852 158 S HN 0.481 nan 8.310 nan 0.000 0.457 159 E N 0.510 120.778 120.200 0.113 0.000 2.118 159 E HA -0.160 4.057 4.350 -0.222 0.000 0.195 159 E C 2.284 178.955 176.600 0.119 0.000 0.992 159 E CA 1.229 57.695 56.400 0.109 0.000 0.804 159 E CB -0.108 29.655 29.700 0.105 0.000 0.741 159 E HN 0.583 nan 8.360 nan 0.000 0.458 160 K N 0.418 120.900 120.400 0.136 0.000 2.116 160 K HA -0.044 4.142 4.320 -0.222 0.000 0.203 160 K C 2.226 178.899 176.600 0.122 0.000 1.052 160 K CA 0.619 57.038 56.287 0.219 0.000 0.952 160 K CB -0.097 32.532 32.500 0.215 0.000 0.729 160 K HN -0.021 nan 8.250 nan 0.000 0.446 161 V N 2.010 121.920 119.914 -0.006 0.000 2.515 161 V HA -0.215 3.771 4.120 -0.222 0.000 0.250 161 V C 1.151 177.044 176.094 -0.335 0.000 1.058 161 V CA 1.972 64.141 62.300 -0.217 0.000 1.064 161 V CB -0.201 31.497 31.823 -0.207 0.000 0.675 161 V HN 0.236 nan 8.190 nan 0.000 0.461 162 D N -0.011 120.310 120.400 -0.132 0.000 2.117 162 D HA -0.133 4.373 4.640 -0.222 0.000 0.197 162 D C 2.394 178.644 176.300 -0.082 0.000 0.987 162 D CA 1.350 55.302 54.000 -0.079 0.000 0.829 162 D CB -0.231 40.580 40.800 0.019 0.000 0.961 162 D HN 0.435 nan 8.370 nan 0.000 0.460 163 R N -0.178 120.292 120.500 -0.050 0.000 2.148 163 R HA -0.000 4.206 4.340 -0.222 0.000 0.223 163 R C 2.154 178.202 176.300 -0.420 0.000 1.088 163 R CA 0.168 56.250 56.100 -0.030 0.000 0.985 163 R CB -0.190 30.244 30.300 0.224 0.000 0.880 163 R HN 0.137 nan 8.270 nan 0.000 0.451 164 L N 0.184 120.913 121.223 -0.823 0.000 1.994 164 L HA -0.185 4.022 4.340 -0.222 0.000 0.208 164 L C 1.753 178.290 176.870 -0.555 0.000 1.071 164 L CA 1.951 55.977 54.840 -1.358 0.000 0.745 164 L CB -0.489 41.034 42.059 -0.894 0.000 0.892 164 L HN 0.197 nan 8.230 nan 0.000 0.431 165 H N -1.738 117.150 119.070 -0.303 0.000 2.389 165 H HA -0.113 4.310 4.556 -0.221 0.000 0.299 165 H C 2.416 177.703 175.328 -0.069 0.000 1.081 165 H CA 0.903 56.893 56.048 -0.097 0.000 1.345 165 H CB 0.064 29.841 29.762 0.025 0.000 1.393 165 H HN 0.493 nan 8.280 nan 0.000 0.520 166 S N 0.289 116.009 115.700 0.035 0.000 2.356 166 S HA -0.252 4.085 4.470 -0.222 0.000 0.223 166 S C 2.075 176.661 174.600 -0.023 0.000 1.032 166 S CA 1.329 59.551 58.200 0.037 0.000 1.005 166 S CB -0.492 62.732 63.200 0.041 0.000 0.867 166 S HN 0.489 nan 8.310 nan 0.000 0.449 167 Y N 2.062 122.236 120.300 -0.210 0.000 2.097 167 Y HA -0.107 4.309 4.550 -0.223 0.000 0.282 167 Y C 1.981 177.720 175.900 -0.269 0.000 1.152 167 Y CA 1.988 59.957 58.100 -0.219 0.000 1.136 167 Y CB -0.584 37.647 38.460 -0.381 0.000 0.975 167 Y HN 0.269 nan 8.280 nan 0.000 0.498 168 L N 0.187 121.141 121.223 -0.449 0.000 2.127 168 L HA -0.265 3.941 4.340 -0.222 0.000 0.211 168 L C 2.276 178.706 176.870 -0.733 0.000 1.089 168 L CA 1.770 56.159 54.840 -0.750 0.000 0.757 168 L CB -0.735 40.608 42.059 -1.193 0.000 0.899 168 L HN 0.324 nan 8.230 nan 0.000 0.434 169 N N 0.524 119.005 118.700 -0.364 0.000 2.092 169 N HA -0.137 4.470 4.740 -0.222 0.000 0.189 169 N C 1.943 177.413 175.510 -0.067 0.000 1.040 169 N CA 1.321 54.402 53.050 0.051 0.000 0.845 169 N CB 0.013 38.695 38.487 0.325 0.000 1.017 169 N HN 0.074 nan 8.380 nan 0.000 0.426 170 R N -0.437 119.992 120.500 -0.119 0.000 2.148 170 R HA 0.089 4.296 4.340 -0.222 0.000 0.227 170 R C 1.195 177.368 176.300 -0.211 0.000 1.103 170 R CA 1.101 57.129 56.100 -0.120 0.000 0.983 170 R CB -0.131 30.125 30.300 -0.074 0.000 0.874 170 R HN 0.222 nan 8.270 nan 0.000 0.451 171 A N 0.983 123.554 122.820 -0.416 0.000 2.370 171 A HA 0.091 4.277 4.320 -0.222 0.000 0.238 171 A C -0.243 177.178 177.584 -0.272 0.000 1.289 171 A CA -0.385 51.388 52.037 -0.439 0.000 0.885 171 A CB 0.013 18.445 19.000 -0.947 0.000 0.961 171 A HN 0.306 nan 8.150 nan 0.000 0.499 172 N N -0.436 118.147 118.700 -0.195 0.000 2.740 172 N HA -0.138 4.469 4.740 -0.222 0.000 0.248 172 N C 0.654 176.099 175.510 -0.109 0.000 1.062 172 N CA 1.212 54.196 53.050 -0.110 0.000 0.704 172 N CB -0.688 37.757 38.487 -0.070 0.000 0.968 172 N HN 0.506 nan 8.380 nan 0.000 0.547 173 K N -0.910 119.380 120.400 -0.183 0.000 2.276 173 K HA 0.173 4.360 4.320 -0.222 0.000 0.198 173 K C 1.682 178.248 176.600 -0.057 0.000 1.052 173 K CA 0.641 56.837 56.287 -0.152 0.000 0.984 173 K CB -0.077 32.280 32.500 -0.238 0.000 0.836 173 K HN 0.510 nan 8.250 nan 0.000 0.490 174 Y N 0.820 121.101 120.300 -0.032 0.000 2.242 174 Y HA -0.107 4.308 4.550 -0.224 0.000 0.291 174 Y C 0.578 176.479 175.900 0.002 0.000 1.137 174 Y CA 0.395 58.506 58.100 0.018 0.000 1.181 174 Y CB 0.476 38.963 38.460 0.045 0.000 0.989 174 Y HN -0.017 nan 8.280 nan 0.000 0.527 175 D N -1.940 118.534 120.400 0.123 0.000 2.764 175 D HA 0.172 4.679 4.640 -0.222 0.000 0.227 175 D C -2.522 173.783 176.300 0.009 0.000 1.347 175 D CA -2.065 51.962 54.000 0.045 0.000 0.953 175 D CB 1.956 42.763 40.800 0.012 0.000 1.476 175 D HN -0.222 nan 8.370 nan 0.000 0.585 176 P HA -0.094 nan 4.420 nan 0.000 0.223 176 P C 0.931 178.221 177.300 -0.016 0.000 1.144 176 P CA 0.880 63.973 63.100 -0.011 0.000 0.783 176 P CB 0.399 32.096 31.700 -0.006 0.000 0.771 177 K N -1.269 119.123 120.400 -0.014 0.000 2.365 177 K HA 0.295 4.481 4.320 -0.222 0.000 0.197 177 K C 1.325 177.913 176.600 -0.020 0.000 1.042 177 K CA 0.675 56.951 56.287 -0.017 0.000 0.987 177 K CB -0.075 32.414 32.500 -0.019 0.000 0.779 177 K HN 0.203 nan 8.250 nan 0.000 0.484 178 G N 1.602 110.389 108.800 -0.021 0.000 2.337 178 G HA2 0.080 3.906 3.960 -0.222 0.000 0.298 178 G HA3 0.080 3.906 3.960 -0.222 0.000 0.298 178 G C -3.235 171.655 174.900 -0.017 0.000 1.335 178 G CA -1.079 44.008 45.100 -0.022 0.000 0.875 178 G HN -0.233 nan 8.290 nan 0.000 0.579 179 P HA 0.275 nan 4.420 nan 0.000 0.271 179 P C 0.966 178.245 177.300 -0.034 0.000 1.218 179 P CA -0.118 62.990 63.100 0.014 0.000 0.780 179 P CB 0.937 32.656 31.700 0.032 0.000 0.901 180 I N -1.558 118.954 120.570 -0.097 0.000 3.941 180 I HA 0.257 4.293 4.170 -0.222 0.000 0.321 180 I C -0.127 175.719 176.117 -0.452 0.000 1.284 180 I CA -0.165 60.943 61.300 -0.319 0.000 1.226 180 I CB -0.094 37.606 38.000 -0.500 0.000 1.045 180 I HN 0.070 nan 8.210 nan 0.000 0.420 181 Y N 1.132 121.446 120.300 0.024 0.000 2.524 181 Y HA 0.449 4.868 4.550 -0.219 0.000 0.344 181 Y C 0.033 175.944 175.900 0.018 0.000 1.012 181 Y CA -1.186 56.921 58.100 0.010 0.000 1.068 181 Y CB 0.871 39.346 38.460 0.025 0.000 1.249 181 Y HN -0.080 nan 8.280 nan 0.000 0.468 182 N N 1.945 120.763 118.700 0.196 0.000 2.408 182 N HA 0.017 4.623 4.740 -0.222 0.000 0.257 182 N C 0.216 175.788 175.510 0.104 0.000 1.064 182 N CA 0.134 53.251 53.050 0.110 0.000 0.952 182 N CB 0.660 39.194 38.487 0.079 0.000 1.093 182 N HN 0.673 nan 8.380 nan 0.000 0.490 183 D N 2.652 123.103 120.400 0.086 0.000 2.265 183 D HA -0.169 4.338 4.640 -0.222 0.000 0.208 183 D C 0.844 177.171 176.300 0.044 0.000 0.977 183 D CA 1.171 55.211 54.000 0.067 0.000 0.871 183 D CB 0.365 41.200 40.800 0.058 0.000 0.925 183 D HN 0.718 nan 8.370 nan 0.000 0.485 184 Q N -0.026 119.799 119.800 0.041 0.000 2.369 184 Q HA -0.032 4.174 4.340 -0.222 0.000 0.206 184 Q C 1.067 177.077 176.000 0.016 0.000 0.963 184 Q CA 0.529 56.350 55.803 0.030 0.000 0.894 184 Q CB 0.171 28.927 28.738 0.031 0.000 0.965 184 Q HN 0.214 nan 8.270 nan 0.000 0.475 185 N N -0.453 118.256 118.700 0.015 0.000 2.236 185 N HA 0.117 4.724 4.740 -0.222 0.000 0.196 185 N C -0.203 175.268 175.510 -0.065 0.000 1.114 185 N CA 0.301 53.342 53.050 -0.015 0.000 0.859 185 N CB 0.553 39.052 38.487 0.019 0.000 0.982 185 N HN 0.215 nan 8.380 nan 0.000 0.493 186 M N 1.441 121.012 119.600 -0.047 0.000 2.077 186 M HA 0.210 4.557 4.480 -0.222 0.000 0.348 186 M C -0.290 175.970 176.300 -0.066 0.000 1.252 186 M CA -0.373 54.881 55.300 -0.077 0.000 1.096 186 M CB 1.648 34.226 32.600 -0.036 0.000 1.568 186 M HN -0.329 nan 8.290 nan 0.000 0.456 187 V N 5.672 125.511 119.914 -0.126 0.000 2.585 187 V HA 0.108 4.095 4.120 -0.222 0.000 0.296 187 V C 0.263 176.356 176.094 -0.002 0.000 1.035 187 V CA 0.448 62.681 62.300 -0.112 0.000 1.084 187 V CB 0.359 32.013 31.823 -0.282 0.000 0.953 187 V HN 0.659 nan 8.190 nan 0.000 0.483 188 I N 4.429 125.035 120.570 0.059 0.000 2.437 188 I HA 0.227 4.264 4.170 -0.222 0.000 0.279 188 I C 0.334 176.535 176.117 0.139 0.000 1.028 188 I CA -0.018 61.333 61.300 0.086 0.000 1.142 188 I CB 1.637 39.682 38.000 0.076 0.000 1.266 188 I HN 0.630 nan 8.210 nan 0.000 0.461 189 S N 3.817 119.612 115.700 0.157 0.000 2.576 189 S HA 0.133 4.470 4.470 -0.222 0.000 0.276 189 S C 0.402 175.092 174.600 0.149 0.000 1.339 189 S CA -0.052 58.265 58.200 0.195 0.000 1.039 189 S CB 0.480 63.807 63.200 0.212 0.000 0.902 189 S HN 0.530 nan 8.310 nan 0.000 0.516 190 D N 2.012 122.499 120.400 0.145 0.000 2.538 190 D HA 0.127 4.634 4.640 -0.222 0.000 0.231 190 D C 1.498 177.860 176.300 0.103 0.000 1.229 190 D CA 0.167 54.248 54.000 0.136 0.000 0.828 190 D CB 0.266 41.161 40.800 0.159 0.000 1.035 190 D HN 0.614 nan 8.370 nan 0.000 0.495 191 S N -0.438 115.282 115.700 0.033 0.000 2.402 191 S HA -0.168 4.169 4.470 -0.222 0.000 0.233 191 S C 2.135 176.643 174.600 -0.152 0.000 1.030 191 S CA 1.333 59.459 58.200 -0.123 0.000 1.003 191 S CB -0.568 62.495 63.200 -0.228 0.000 0.813 191 S HN 0.277 nan 8.310 nan 0.000 0.477 192 G N 0.514 109.292 108.800 -0.037 0.000 2.433 192 G HA2 -0.195 3.632 3.960 -0.222 0.000 0.216 192 G HA3 -0.195 3.632 3.960 -0.222 0.000 0.216 192 G C 1.269 176.191 174.900 0.036 0.000 1.186 192 G CA 0.860 45.954 45.100 -0.010 0.000 0.779 192 G HN 0.583 nan 8.290 nan 0.000 0.543 193 Y N 1.298 121.601 120.300 0.004 0.000 2.145 193 Y HA -0.040 4.377 4.550 -0.222 0.000 0.286 193 Y C 2.543 178.471 175.900 0.048 0.000 1.145 193 Y CA 1.443 59.580 58.100 0.062 0.000 1.148 193 Y CB -0.295 38.206 38.460 0.067 0.000 0.981 193 Y HN 0.106 nan 8.280 nan 0.000 0.507 194 L N -0.908 120.265 121.223 -0.083 0.000 2.141 194 L HA -0.206 4.001 4.340 -0.222 0.000 0.209 194 L C 2.260 178.953 176.870 -0.294 0.000 1.094 194 L CA 0.744 55.458 54.840 -0.209 0.000 0.763 194 L CB -0.566 41.433 42.059 -0.101 0.000 0.908 194 L HN 0.261 nan 8.230 nan 0.000 0.437 195 L N -0.346 120.709 121.223 -0.280 0.000 2.109 195 L HA -0.158 4.048 4.340 -0.222 0.000 0.207 195 L C 2.897 179.539 176.870 -0.380 0.000 1.086 195 L CA 1.852 56.497 54.840 -0.325 0.000 0.760 195 L CB -0.573 41.294 42.059 -0.319 0.000 0.910 195 L HN 0.349 nan 8.230 nan 0.000 0.437 196 S N -0.864 114.643 115.700 -0.323 0.000 2.382 196 S HA -0.278 4.058 4.470 -0.222 0.000 0.228 196 S C 2.123 176.337 174.600 -0.644 0.000 1.027 196 S CA 1.377 59.381 58.200 -0.326 0.000 0.991 196 S CB -0.454 62.706 63.200 -0.067 0.000 0.823 196 S HN 0.435 nan 8.310 nan 0.000 0.469 197 K N 1.456 121.401 120.400 -0.757 0.000 2.057 197 K HA 0.000 4.187 4.320 -0.222 0.000 0.207 197 K C 2.306 178.495 176.600 -0.684 0.000 1.049 197 K CA 1.138 56.804 56.287 -1.035 0.000 0.931 197 K CB -0.659 31.466 32.500 -0.625 0.000 0.714 197 K HN 0.466 nan 8.250 nan 0.000 0.440 198 A N 1.314 123.848 122.820 -0.476 0.000 1.877 198 A HA -0.123 4.064 4.320 -0.222 0.000 0.216 198 A C 2.111 179.460 177.584 -0.391 0.000 1.186 198 A CA 1.305 53.127 52.037 -0.358 0.000 0.620 198 A CB -0.639 18.180 19.000 -0.302 0.000 0.822 198 A HN 0.320 nan 8.150 nan 0.000 0.443 199 L N -0.722 120.220 121.223 -0.468 0.000 2.083 199 L HA -0.211 3.995 4.340 -0.222 0.000 0.209 199 L C 3.052 179.683 176.870 -0.398 0.000 1.083 199 L CA 1.087 55.654 54.840 -0.454 0.000 0.752 199 L CB -0.468 41.281 42.059 -0.516 0.000 0.899 199 L HN 0.443 nan 8.230 nan 0.000 0.433 200 A N -0.346 122.165 122.820 -0.515 0.000 1.930 200 A HA -0.221 3.965 4.320 -0.222 0.000 0.217 200 A C 2.288 179.676 177.584 -0.327 0.000 1.175 200 A CA 1.663 53.418 52.037 -0.470 0.000 0.627 200 A CB -0.326 18.145 19.000 -0.882 0.000 0.815 200 A HN 0.184 nan 8.150 nan 0.000 0.443 201 K N 0.136 120.336 120.400 -0.333 0.000 2.057 201 K HA -0.015 4.171 4.320 -0.222 0.000 0.207 201 K C 2.019 178.517 176.600 -0.171 0.000 1.049 201 K CA 1.491 57.653 56.287 -0.210 0.000 0.931 201 K CB -0.472 31.918 32.500 -0.185 0.000 0.714 201 K HN 0.377 nan 8.250 nan 0.000 0.440 202 A N -0.224 122.478 122.820 -0.197 0.000 1.930 202 A HA -0.083 4.104 4.320 -0.222 0.000 0.217 202 A C 2.255 179.747 177.584 -0.152 0.000 1.175 202 A CA 1.566 53.501 52.037 -0.170 0.000 0.627 202 A CB -0.598 18.284 19.000 -0.196 0.000 0.815 202 A HN 0.102 nan 8.150 nan 0.000 0.443 203 V N 0.104 119.919 119.914 -0.166 0.000 2.343 203 V HA -0.276 3.710 4.120 -0.222 0.000 0.247 203 V C 2.501 178.565 176.094 -0.049 0.000 1.051 203 V CA 2.287 64.519 62.300 -0.114 0.000 1.036 203 V CB -0.693 31.055 31.823 -0.126 0.000 0.654 203 V HN 0.777 nan 8.190 nan 0.000 0.451 204 E N -0.053 120.095 120.200 -0.085 0.000 2.085 204 E HA -0.264 3.952 4.350 -0.222 0.000 0.194 204 E C 2.428 178.964 176.600 -0.107 0.000 0.994 204 E CA 1.608 57.965 56.400 -0.072 0.000 0.801 204 E CB -0.203 29.451 29.700 -0.077 0.000 0.743 204 E HN 0.533 nan 8.360 nan 0.000 0.453 205 S N -0.867 114.733 115.700 -0.166 0.000 2.368 205 S HA -0.205 4.132 4.470 -0.222 0.000 0.225 205 S C 1.856 176.262 174.600 -0.322 0.000 1.030 205 S CA 1.236 59.240 58.200 -0.328 0.000 0.999 205 S CB -0.487 62.449 63.200 -0.439 0.000 0.844 205 S HN 0.547 nan 8.310 nan 0.000 0.459 206 Y N 1.855 121.976 120.300 -0.298 0.000 2.145 206 Y HA -0.063 4.354 4.550 -0.222 0.000 0.286 206 Y C 2.145 177.971 175.900 -0.123 0.000 1.145 206 Y CA 2.018 59.979 58.100 -0.231 0.000 1.148 206 Y CB -0.246 38.097 38.460 -0.195 0.000 0.981 206 Y HN 0.218 nan 8.280 nan 0.000 0.507 207 K N -0.247 120.162 120.400 0.014 0.000 2.148 207 K HA -0.133 4.053 4.320 -0.222 0.000 0.204 207 K C 2.256 178.799 176.600 -0.096 0.000 1.050 207 K CA 1.389 57.660 56.287 -0.025 0.000 0.942 207 K CB -0.304 32.215 32.500 0.032 0.000 0.724 207 K HN 0.430 nan 8.250 nan 0.000 0.446 208 S N 0.918 116.544 115.700 -0.123 0.000 2.474 208 S HA -0.142 4.194 4.470 -0.222 0.000 0.235 208 S C 1.552 176.080 174.600 -0.120 0.000 0.997 208 S CA 0.802 58.934 58.200 -0.114 0.000 0.949 208 S CB -0.103 63.016 63.200 -0.134 0.000 0.766 208 S HN 0.299 nan 8.310 nan 0.000 0.517 209 Q N 1.015 120.717 119.800 -0.163 0.000 2.320 209 Q HA 0.189 4.396 4.340 -0.222 0.000 0.201 209 Q C 0.697 176.646 176.000 -0.085 0.000 0.910 209 Q CA -0.089 55.656 55.803 -0.098 0.000 0.946 209 Q CB 0.175 28.875 28.738 -0.064 0.000 1.062 209 Q HN 0.897 nan 8.270 nan 0.000 0.503 217 D N 3.904 124.338 120.400 0.057 0.000 2.849 217 D HA 0.353 4.859 4.640 -0.222 0.000 0.314 217 D C -2.314 173.998 176.300 0.020 0.000 1.210 217 D CA -1.098 52.924 54.000 0.037 0.000 0.756 217 D CB 0.894 41.714 40.800 0.032 0.000 1.222 217 D HN 0.346 nan 8.370 nan 0.000 0.521 218 P HA 0.241 nan 4.420 nan 0.000 0.270 218 P C 0.311 177.556 177.300 -0.093 0.000 1.223 218 P CA -0.372 62.688 63.100 -0.067 0.000 0.785 218 P CB 1.185 32.822 31.700 -0.106 0.000 0.923 219 I N -2.171 118.319 120.570 -0.134 0.000 3.133 219 I HA 0.613 4.649 4.170 -0.222 0.000 0.311 219 I C -0.821 175.216 176.117 -0.134 0.000 1.072 219 I CA -1.517 59.724 61.300 -0.098 0.000 1.015 219 I CB 1.993 39.959 38.000 -0.057 0.000 1.233 219 I HN -0.066 nan 8.210 nan 0.000 0.473 220 V N 2.526 122.407 119.914 -0.054 0.000 2.370 220 V HA 0.634 4.620 4.120 -0.222 0.000 0.279 220 V C 0.428 176.567 176.094 0.075 0.000 1.029 220 V CA -0.444 61.834 62.300 -0.036 0.000 0.870 220 V CB 1.072 32.911 31.823 0.027 0.000 0.984 220 V HN 0.854 nan 8.190 nan 0.000 0.451 221 A N 5.434 128.247 122.820 -0.012 0.000 2.252 221 A HA 0.749 4.936 4.320 -0.222 0.000 0.309 221 A C -0.769 176.855 177.584 0.066 0.000 1.285 221 A CA -0.276 51.782 52.037 0.034 0.000 0.900 221 A CB -0.017 18.943 19.000 -0.067 0.000 1.157 221 A HN 0.595 nan 8.150 nan 0.000 0.536 222 F N 3.583 123.478 119.950 -0.092 0.000 2.404 222 F HA 0.307 4.702 4.527 -0.219 0.000 0.358 222 F C 0.294 175.973 175.800 -0.201 0.000 1.120 222 F CA -0.802 57.126 58.000 -0.119 0.000 1.144 222 F CB 1.010 39.964 39.000 -0.077 0.000 1.133 222 F HN 0.331 nan 8.300 nan 0.000 0.495 223 I N 6.110 126.567 120.570 -0.188 0.000 2.301 223 I HA 0.252 4.289 4.170 -0.222 0.000 0.292 223 I C 0.023 175.987 176.117 -0.255 0.000 1.046 223 I CA -0.570 60.591 61.300 -0.231 0.000 1.282 223 I CB 0.360 38.201 38.000 -0.265 0.000 1.409 223 I HN 0.260 nan 8.210 nan 0.000 0.484 224 V N 3.840 123.611 119.914 -0.240 0.000 2.960 224 V HA 0.549 4.535 4.120 -0.222 0.000 0.315 224 V C -0.114 175.819 176.094 -0.268 0.000 1.087 224 V CA -1.036 61.136 62.300 -0.213 0.000 0.982 224 V CB 1.863 33.619 31.823 -0.112 0.000 1.039 224 V HN 0.795 nan 8.190 nan 0.000 0.437 225 Q N 1.622 121.297 119.800 -0.210 0.000 2.392 225 Q HA 0.283 4.489 4.340 -0.222 0.000 0.262 225 Q C -0.039 175.891 176.000 -0.115 0.000 1.003 225 Q CA -0.318 55.371 55.803 -0.191 0.000 0.888 225 Q CB 0.659 29.322 28.738 -0.125 0.000 1.260 225 Q HN 0.768 nan 8.270 nan 0.000 0.435 226 R N 3.057 123.497 120.500 -0.100 0.000 2.537 226 R HA 0.025 4.232 4.340 -0.222 0.000 0.280 226 R C -0.014 176.289 176.300 0.004 0.000 1.058 226 R CA -0.069 56.002 56.100 -0.049 0.000 1.057 226 R CB 0.217 30.488 30.300 -0.048 0.000 0.973 226 R HN 0.780 nan 8.270 nan 0.000 0.438 227 N N 1.470 120.206 118.700 0.060 0.000 2.705 227 N HA -0.195 4.411 4.740 -0.222 0.000 0.255 227 N C -0.627 175.083 175.510 0.334 0.000 1.008 227 N CA 0.978 54.162 53.050 0.223 0.000 0.742 227 N CB -0.813 37.673 38.487 -0.001 0.000 0.906 227 N HN 0.620 nan 8.380 nan 0.000 0.541 228 E N 0.576 120.877 120.200 0.168 0.000 2.366 228 E HA 0.074 4.290 4.350 -0.222 0.000 0.266 228 E C 1.124 177.681 176.600 -0.071 0.000 1.015 228 E CA 0.188 56.608 56.400 0.033 0.000 0.906 228 E CB 0.573 30.239 29.700 -0.056 0.000 0.979 228 E HN 0.244 nan 8.360 nan 0.000 0.443 229 R N 3.189 123.643 120.500 -0.075 0.000 2.173 229 R HA 0.051 4.258 4.340 -0.222 0.000 0.208 229 R C 0.514 176.684 176.300 -0.218 0.000 1.035 229 R CA 0.521 56.504 56.100 -0.194 0.000 1.004 229 R CB 0.090 30.389 30.300 -0.002 0.000 0.917 229 R HN 0.372 nan 8.270 nan 0.000 0.462 230 N N 0.850 119.445 118.700 -0.176 0.000 2.597 230 N HA 0.018 4.625 4.740 -0.222 0.000 0.269 230 N C 0.754 176.080 175.510 -0.306 0.000 1.204 230 N CA 0.001 52.944 53.050 -0.178 0.000 0.947 230 N CB 0.311 38.715 38.487 -0.137 0.000 1.258 230 N HN -0.104 nan 8.380 nan 0.000 0.508 231 V N -0.035 119.530 119.914 -0.581 0.000 2.427 231 V HA -0.189 3.797 4.120 -0.222 0.000 0.248 231 V C 1.363 177.080 176.094 -0.629 0.000 1.051 231 V CA 1.422 63.324 62.300 -0.663 0.000 1.048 231 V CB -0.754 30.552 31.823 -0.862 0.000 0.666 231 V HN 0.336 nan 8.190 nan 0.000 0.456 232 F N 0.839 120.675 119.950 -0.191 0.000 2.293 232 F HA -0.092 4.302 4.527 -0.222 0.000 0.300 232 F C 2.169 177.930 175.800 -0.066 0.000 1.086 232 F CA 1.358 59.269 58.000 -0.149 0.000 1.375 232 F CB -0.866 38.020 39.000 -0.189 0.000 1.045 232 F HN 0.265 nan 8.300 nan 0.000 0.516 233 D N 0.065 120.500 120.400 0.057 0.000 2.117 233 D HA -0.162 4.345 4.640 -0.222 0.000 0.198 233 D C 1.974 178.301 176.300 0.045 0.000 0.982 233 D CA 1.411 55.457 54.000 0.076 0.000 0.828 233 D CB -0.098 40.739 40.800 0.062 0.000 0.967 233 D HN 0.343 nan 8.370 nan 0.000 0.464 234 Q N -0.545 119.254 119.800 -0.002 0.000 2.123 234 Q HA -0.105 4.102 4.340 -0.222 0.000 0.199 234 Q C 2.020 178.040 176.000 0.033 0.000 0.966 234 Q CA 0.906 56.753 55.803 0.074 0.000 0.845 234 Q CB -0.021 28.742 28.738 0.041 0.000 0.907 234 Q HN 0.051 nan 8.270 nan 0.000 0.439 235 K N 0.679 121.052 120.400 -0.046 0.000 2.152 235 K HA -0.126 4.061 4.320 -0.222 0.000 0.206 235 K C 1.821 178.411 176.600 -0.016 0.000 1.048 235 K CA 0.814 57.061 56.287 -0.066 0.000 0.933 235 K CB -0.338 32.158 32.500 -0.007 0.000 0.721 235 K HN 0.015 nan 8.250 nan 0.000 0.447 236 V N 0.924 120.858 119.914 0.034 0.000 2.392 236 V HA -0.265 3.721 4.120 -0.222 0.000 0.249 236 V C 2.102 178.233 176.094 0.061 0.000 1.059 236 V CA 1.736 64.064 62.300 0.047 0.000 1.051 236 V CB -0.443 31.417 31.823 0.061 0.000 0.658 236 V HN 0.281 nan 8.190 nan 0.000 0.455 237 L N -0.599 120.683 121.223 0.100 0.000 2.109 237 L HA -0.134 4.073 4.340 -0.222 0.000 0.207 237 L C 2.529 179.489 176.870 0.151 0.000 1.086 237 L CA 1.502 56.436 54.840 0.158 0.000 0.760 237 L CB -0.713 41.527 42.059 0.301 0.000 0.910 237 L HN 0.361 nan 8.230 nan 0.000 0.437 238 E N 0.566 120.761 120.200 -0.008 0.000 2.051 238 E HA -0.199 4.018 4.350 -0.222 0.000 0.192 238 E C 2.357 178.925 176.600 -0.054 0.000 0.991 238 E CA 1.120 57.412 56.400 -0.179 0.000 0.799 238 E CB -0.124 29.314 29.700 -0.437 0.000 0.748 238 E HN 0.433 nan 8.360 nan 0.000 0.449 239 L N 1.065 122.269 121.223 -0.032 0.000 2.056 239 L HA -0.166 4.041 4.340 -0.222 0.000 0.207 239 L C 2.078 178.970 176.870 0.035 0.000 1.078 239 L CA 0.751 55.587 54.840 -0.006 0.000 0.749 239 L CB -0.543 41.511 42.059 -0.009 0.000 0.901 239 L HN 0.123 nan 8.230 nan 0.000 0.433 240 N N 0.463 119.207 118.700 0.074 0.000 2.120 240 N HA -0.142 4.465 4.740 -0.222 0.000 0.188 240 N C 1.975 177.600 175.510 0.193 0.000 1.024 240 N CA 1.132 54.262 53.050 0.133 0.000 0.852 240 N CB -0.414 38.179 38.487 0.177 0.000 1.003 240 N HN 0.232 nan 8.380 nan 0.000 0.424 241 L N 0.321 121.651 121.223 0.180 0.000 2.079 241 L HA -0.146 4.061 4.340 -0.222 0.000 0.210 241 L C 2.245 179.213 176.870 0.163 0.000 1.081 241 L CA 0.839 55.805 54.840 0.210 0.000 0.752 241 L CB -0.249 41.882 42.059 0.120 0.000 0.896 241 L HN 0.256 nan 8.230 nan 0.000 0.433 242 L N -0.498 120.774 121.223 0.081 0.000 2.034 242 L HA -0.109 4.098 4.340 -0.222 0.000 0.203 242 L C 2.566 179.449 176.870 0.023 0.000 1.074 242 L CA 1.753 56.618 54.840 0.042 0.000 0.748 242 L CB -0.746 41.318 42.059 0.009 0.000 0.905 242 L HN 0.292 nan 8.230 nan 0.000 0.439 243 E N 0.140 120.345 120.200 0.008 0.000 2.150 243 E HA -0.160 4.056 4.350 -0.222 0.000 0.193 243 E C 1.906 178.461 176.600 -0.076 0.000 0.985 243 E CA 0.837 57.222 56.400 -0.024 0.000 0.814 243 E CB 0.095 29.783 29.700 -0.020 0.000 0.752 243 E HN 0.418 nan 8.360 nan 0.000 0.466 244 K N -0.681 119.647 120.400 -0.121 0.000 2.348 244 K HA 0.147 4.334 4.320 -0.222 0.000 0.194 244 K C 1.076 177.252 176.600 -0.706 0.000 1.052 244 K CA 0.257 56.307 56.287 -0.396 0.000 1.004 244 K CB 0.341 32.580 32.500 -0.435 0.000 0.873 244 K HN 0.120 nan 8.250 nan 0.000 0.523 245 F N -0.023 119.938 119.950 0.018 0.000 2.772 245 F HA 0.250 4.645 4.527 -0.221 0.000 0.316 245 F C 0.991 176.786 175.800 -0.009 0.000 1.114 245 F CA -0.221 57.777 58.000 -0.004 0.000 1.191 245 F CB 0.787 39.763 39.000 -0.039 0.000 1.065 245 F HN 0.059 nan 8.300 nan 0.000 0.534 246 G N 1.778 110.628 108.800 0.084 0.000 2.361 246 G HA2 -0.285 3.542 3.960 -0.222 0.000 0.294 246 G HA3 -0.285 3.542 3.960 -0.222 0.000 0.294 246 G C 0.042 174.979 174.900 0.061 0.000 1.004 246 G CA 0.831 45.964 45.100 0.054 0.000 0.870 246 G HN 0.273 nan 8.290 nan 0.000 0.510 247 T N 0.038 114.640 114.554 0.079 0.000 2.779 247 T HA 0.565 4.781 4.350 -0.222 0.000 0.280 247 T C 0.346 175.065 174.700 0.032 0.000 0.987 247 T CA -0.646 61.483 62.100 0.049 0.000 0.966 247 T CB 1.744 70.641 68.868 0.047 0.000 0.933 247 T HN 0.259 nan 8.240 nan 0.000 0.442 248 K N 1.782 122.189 120.400 0.012 0.000 2.098 248 K HA 0.778 4.965 4.320 -0.222 0.000 0.244 248 K C 0.279 176.881 176.600 0.003 0.000 1.014 248 K CA -0.577 55.710 56.287 0.000 0.000 0.917 248 K CB 0.745 33.242 32.500 -0.005 0.000 1.072 248 K HN 0.759 nan 8.250 nan 0.000 0.477 249 S N -1.754 113.937 115.700 -0.014 0.000 2.615 249 S HA 0.774 5.111 4.470 -0.222 0.000 0.269 249 S C -1.242 173.335 174.600 -0.039 0.000 1.161 249 S CA -0.949 57.255 58.200 0.007 0.000 0.817 249 S CB 1.085 64.308 63.200 0.039 0.000 1.131 249 S HN 0.144 nan 8.310 nan 0.000 0.467 250 V N 0.447 120.357 119.914 -0.007 0.000 3.049 250 V HA 0.622 4.609 4.120 -0.222 0.000 0.309 250 V C -0.839 175.244 176.094 -0.018 0.000 1.148 250 V CA -0.952 61.328 62.300 -0.033 0.000 0.990 250 V CB 2.240 34.057 31.823 -0.011 0.000 1.039 250 V HN 0.932 nan 8.190 nan 0.000 0.430 251 R N 2.654 123.122 120.500 -0.053 0.000 2.295 251 R HA 0.773 4.979 4.340 -0.222 0.000 0.324 251 R C -1.469 174.816 176.300 -0.026 0.000 0.968 251 R CA -0.426 55.652 56.100 -0.037 0.000 0.837 251 R CB 1.234 31.481 30.300 -0.088 0.000 1.133 251 R HN 0.519 nan 8.270 nan 0.000 0.450 252 L N 2.407 123.615 121.223 -0.026 0.000 2.385 252 L HA 0.451 4.657 4.340 -0.222 0.000 0.273 252 L C 0.542 177.357 176.870 -0.093 0.000 0.990 252 L CA -0.880 53.937 54.840 -0.038 0.000 0.821 252 L CB 2.233 44.284 42.059 -0.014 0.000 1.279 252 L HN 0.685 nan 8.230 nan 0.000 0.412 253 T N -2.229 112.274 114.554 -0.084 0.000 2.810 253 T HA 0.333 4.549 4.350 -0.222 0.000 0.277 253 T C 1.023 175.682 174.700 -0.068 0.000 0.973 253 T CA -0.363 61.648 62.100 -0.148 0.000 0.949 253 T CB 0.704 69.521 68.868 -0.084 0.000 1.075 253 T HN 0.251 nan 8.240 nan 0.000 0.537 254 F N 0.753 120.662 119.950 -0.069 0.000 2.269 254 F HA 0.006 4.400 4.527 -0.222 0.000 0.301 254 F C 2.236 178.009 175.800 -0.045 0.000 1.082 254 F CA 0.810 58.774 58.000 -0.060 0.000 1.360 254 F CB -0.848 38.084 39.000 -0.114 0.000 1.041 254 F HN 0.554 nan 8.300 nan 0.000 0.512 255 D N 0.130 120.608 120.400 0.130 0.000 2.117 255 D HA -0.155 4.351 4.640 -0.222 0.000 0.197 255 D C 1.807 178.132 176.300 0.040 0.000 0.987 255 D CA 1.427 55.464 54.000 0.061 0.000 0.829 255 D CB -0.392 40.427 40.800 0.030 0.000 0.961 255 D HN 0.255 nan 8.370 nan 0.000 0.460 256 D N 0.480 120.902 120.400 0.035 0.000 2.144 256 D HA -0.095 4.411 4.640 -0.222 0.000 0.199 256 D C 2.320 178.643 176.300 0.037 0.000 0.984 256 D CA 0.360 54.376 54.000 0.026 0.000 0.834 256 D CB -0.169 40.639 40.800 0.014 0.000 0.955 256 D HN 0.084 nan 8.370 nan 0.000 0.465 257 V N 1.411 121.366 119.914 0.068 0.000 2.295 257 V HA -0.260 3.727 4.120 -0.222 0.000 0.246 257 V C 1.975 178.036 176.094 -0.054 0.000 1.049 257 V CA 1.761 64.110 62.300 0.082 0.000 1.024 257 V CB -0.640 31.307 31.823 0.206 0.000 0.648 257 V HN 0.183 nan 8.190 nan 0.000 0.447 258 N N -0.129 118.539 118.700 -0.054 0.000 2.142 258 N HA -0.162 4.444 4.740 -0.222 0.000 0.186 258 N C 1.441 176.890 175.510 -0.102 0.000 1.023 258 N CA 1.462 54.431 53.050 -0.137 0.000 0.852 258 N CB -0.092 38.356 38.487 -0.066 0.000 0.998 258 N HN 0.484 nan 8.380 nan 0.000 0.424 259 D N 0.313 120.692 120.400 -0.035 0.000 2.183 259 D HA -0.019 4.488 4.640 -0.222 0.000 0.205 259 D C 1.216 177.527 176.300 0.018 0.000 0.962 259 D CA 1.127 55.122 54.000 -0.009 0.000 0.849 259 D CB 0.112 40.916 40.800 0.005 0.000 0.978 259 D HN 0.260 nan 8.370 nan 0.000 0.488 260 K N -0.614 119.806 120.400 0.033 0.000 2.360 260 K HA 0.171 4.357 4.320 -0.222 0.000 0.196 260 K C -0.036 176.641 176.600 0.128 0.000 1.049 260 K CA -0.214 56.118 56.287 0.076 0.000 1.049 260 K CB 1.179 33.716 32.500 0.062 0.000 0.881 260 K HN -0.049 nan 8.250 nan 0.000 0.542 261 L N 0.983 122.276 121.223 0.117 0.000 2.352 261 L HA 0.479 4.686 4.340 -0.222 0.000 0.269 261 L C -0.410 176.678 176.870 0.363 0.000 1.034 261 L CA -0.744 54.219 54.840 0.205 0.000 0.806 261 L CB 0.690 42.922 42.059 0.289 0.000 1.244 261 L HN 0.022 nan 8.230 nan 0.000 0.447 262 F N -0.241 119.952 119.950 0.406 0.000 2.645 262 F HA 0.789 5.184 4.527 -0.221 0.000 0.310 262 F C -1.251 174.805 175.800 0.426 0.000 1.102 262 F CA -1.271 56.996 58.000 0.446 0.000 0.952 262 F CB 0.969 40.112 39.000 0.238 0.000 1.326 262 F HN 0.203 nan 8.300 nan 0.000 0.456 263 I N 2.015 122.931 120.570 0.577 0.000 2.441 263 I HA 0.228 4.264 4.170 -0.222 0.000 0.295 263 I C -0.822 175.546 176.117 0.418 0.000 0.994 263 I CA -0.785 60.662 61.300 0.244 0.000 1.144 263 I CB 1.583 39.581 38.000 -0.004 0.000 1.314 263 I HN 0.619 nan 8.210 nan 0.000 0.445 264 D N 5.672 126.275 120.400 0.339 0.000 2.339 264 D HA -0.009 4.497 4.640 -0.222 0.000 0.256 264 D C 0.722 177.093 176.300 0.118 0.000 1.214 264 D CA 0.156 54.337 54.000 0.301 0.000 0.877 264 D CB 1.020 42.003 40.800 0.305 0.000 1.111 264 D HN 0.444 nan 8.370 nan 0.000 0.478 265 D N 3.626 124.114 120.400 0.148 0.000 2.182 265 D HA -0.188 4.318 4.640 -0.222 0.000 0.201 265 D C 1.699 178.108 176.300 0.182 0.000 0.986 265 D CA 1.458 55.556 54.000 0.164 0.000 0.847 265 D CB 0.313 41.199 40.800 0.143 0.000 0.942 265 D HN 0.612 nan 8.370 nan 0.000 0.467 266 K N 0.517 120.982 120.400 0.109 0.000 2.243 266 K HA -0.014 4.173 4.320 -0.222 0.000 0.201 266 K C 2.002 178.644 176.600 0.071 0.000 1.051 266 K CA 1.542 57.888 56.287 0.099 0.000 0.970 266 K CB -0.652 31.880 32.500 0.053 0.000 0.755 266 K HN 0.381 nan 8.250 nan 0.000 0.465 267 T N -5.986 108.537 114.554 -0.052 0.000 2.959 267 T HA 0.377 4.593 4.350 -0.222 0.000 0.254 267 T C 1.815 176.158 174.700 -0.594 0.000 1.003 267 T CA 1.204 63.178 62.100 -0.211 0.000 0.950 267 T CB 0.620 69.383 68.868 -0.175 0.000 1.090 267 T HN 1.282 nan 8.240 nan 0.000 0.503 268 G N 1.983 110.254 108.800 -0.881 0.000 2.205 268 G HA2 -0.271 3.555 3.960 -0.222 0.000 0.261 268 G HA3 -0.271 3.555 3.960 -0.222 0.000 0.261 268 G C 0.041 174.659 174.900 -0.470 0.000 0.980 268 G CA 0.224 44.474 45.100 -1.417 0.000 0.632 268 G HN 0.693 nan 8.290 nan 0.000 0.533 269 K N -0.123 120.137 120.400 -0.234 0.000 2.436 269 K HA 0.422 4.609 4.320 -0.222 0.000 0.275 269 K C 0.035 176.452 176.600 -0.305 0.000 0.999 269 K CA -0.397 55.803 56.287 -0.146 0.000 0.980 269 K CB 0.980 33.434 32.500 -0.077 0.000 0.919 269 K HN 0.175 nan 8.250 nan 0.000 0.484 270 L N 4.245 125.168 121.223 -0.501 0.000 2.275 270 L HA 0.434 4.641 4.340 -0.222 0.000 0.288 270 L C -1.381 174.982 176.870 -0.845 0.000 1.046 270 L CA 0.166 54.696 54.840 -0.517 0.000 0.805 270 L CB 0.176 42.019 42.059 -0.360 0.000 1.193 270 L HN 0.407 nan 8.230 nan 0.000 0.426 271 F N 4.499 124.143 119.950 -0.510 0.000 2.588 271 F HA 0.533 4.928 4.527 -0.220 0.000 0.314 271 F C -0.078 175.464 175.800 -0.429 0.000 1.069 271 F CA -0.737 56.932 58.000 -0.552 0.000 0.931 271 F CB 1.565 40.029 39.000 -0.893 0.000 1.260 271 F HN 0.171 nan 8.300 nan 0.000 0.465 272 I N 2.686 123.263 120.570 0.012 0.000 2.325 272 I HA 0.258 4.294 4.170 -0.222 0.000 0.291 272 I C 1.395 177.628 176.117 0.192 0.000 1.019 272 I CA -0.254 61.091 61.300 0.075 0.000 1.302 272 I CB 1.462 39.501 38.000 0.065 0.000 1.401 272 I HN 0.731 nan 8.210 nan 0.000 0.485 273 R N 4.142 124.825 120.500 0.305 0.000 2.103 273 R HA -0.192 4.015 4.340 -0.222 0.000 0.234 273 R C 1.077 177.527 176.300 0.249 0.000 1.132 273 R CA 2.115 58.478 56.100 0.439 0.000 0.925 273 R CB 0.062 30.573 30.300 0.353 0.000 0.842 273 R HN 0.629 nan 8.270 nan 0.000 0.430 274 D N -1.074 119.417 120.400 0.152 0.000 2.363 274 D HA -0.061 4.446 4.640 -0.222 0.000 0.226 274 D C 1.303 177.654 176.300 0.085 0.000 1.020 274 D CA 1.419 55.477 54.000 0.097 0.000 0.892 274 D CB 0.519 41.358 40.800 0.066 0.000 0.900 274 D HN 0.521 nan 8.370 nan 0.000 0.531 275 T N -3.349 111.266 114.554 0.102 0.000 2.959 275 T HA 0.097 4.314 4.350 -0.222 0.000 0.254 275 T C 0.776 175.535 174.700 0.099 0.000 1.003 275 T CA -0.084 62.065 62.100 0.082 0.000 0.950 275 T CB 0.588 69.496 68.868 0.067 0.000 1.090 275 T HN 0.055 nan 8.240 nan 0.000 0.503 276 E N 0.475 120.762 120.200 0.144 0.000 3.673 276 E HA -0.198 4.018 4.350 -0.222 0.000 0.309 276 E C -0.353 176.387 176.600 0.233 0.000 0.819 276 E CA 0.410 56.911 56.400 0.169 0.000 1.111 276 E CB -1.828 27.928 29.700 0.094 0.000 1.561 276 E HN 0.701 nan 8.360 nan 0.000 0.450 277 Q N 1.023 120.922 119.800 0.165 0.000 2.330 277 Q HA 0.148 4.355 4.340 -0.222 0.000 0.279 277 Q C 0.096 176.164 176.000 0.112 0.000 1.024 277 Q CA 0.625 56.497 55.803 0.115 0.000 0.900 277 Q CB 0.681 29.446 28.738 0.045 0.000 1.221 277 Q HN 0.178 nan 8.270 nan 0.000 0.396 278 E N 3.013 123.230 120.200 0.028 0.000 2.197 278 E HA 0.254 4.471 4.350 -0.222 0.000 0.281 278 E C -1.060 175.344 176.600 -0.326 0.000 0.995 278 E CA -0.501 55.726 56.400 -0.288 0.000 0.808 278 E CB 0.735 30.330 29.700 -0.175 0.000 1.093 278 E HN 0.491 nan 8.360 nan 0.000 0.394 279 I N 4.610 124.908 120.570 -0.453 0.000 2.304 279 I HA 0.176 4.212 4.170 -0.222 0.000 0.291 279 I C 0.873 176.601 176.117 -0.647 0.000 1.018 279 I CA -0.125 60.929 61.300 -0.411 0.000 1.260 279 I CB 1.555 39.370 38.000 -0.309 0.000 1.390 279 I HN 0.697 nan 8.210 nan 0.000 0.475 280 A N 6.112 128.484 122.820 -0.747 0.000 1.935 280 A HA 0.235 4.422 4.320 -0.222 0.000 0.214 280 A C 0.766 177.890 177.584 -0.767 0.000 1.178 280 A CA 0.764 52.023 52.037 -1.296 0.000 0.640 280 A CB 0.323 18.809 19.000 -0.857 0.000 0.825 280 A HN 0.442 nan 8.150 nan 0.000 0.447 281 V N -0.004 119.635 119.914 -0.459 0.000 2.760 281 V HA 0.390 4.377 4.120 -0.222 0.000 0.309 281 V C -1.098 174.829 176.094 -0.279 0.000 1.077 281 V CA -0.629 61.476 62.300 -0.325 0.000 0.910 281 V CB 2.019 33.671 31.823 -0.284 0.000 1.008 281 V HN -0.017 nan 8.190 nan 0.000 0.424 282 V N 4.893 124.640 119.914 -0.278 0.000 2.311 282 V HA 0.333 4.320 4.120 -0.222 0.000 0.275 282 V C -1.005 174.835 176.094 -0.423 0.000 1.022 282 V CA -0.599 61.487 62.300 -0.356 0.000 0.830 282 V CB 1.100 32.695 31.823 -0.380 0.000 1.012 282 V HN 0.755 nan 8.190 nan 0.000 0.452 283 Y N 6.565 126.526 120.300 -0.565 0.000 2.385 283 Y HA 0.532 4.937 4.550 -0.242 0.000 0.341 283 Y C -0.662 174.932 175.900 -0.510 0.000 0.965 283 Y CA -1.844 55.926 58.100 -0.549 0.000 1.180 283 Y CB 0.540 38.578 38.460 -0.704 0.000 1.139 283 Y HN 0.592 nan 8.280 nan 0.000 0.502 284 Y N 6.078 126.198 120.300 -0.301 0.000 2.359 284 Y HA 0.389 4.801 4.550 -0.230 0.000 0.334 284 Y C 0.928 176.506 175.900 -0.536 0.000 1.058 284 Y CA -0.257 57.636 58.100 -0.344 0.000 1.244 284 Y CB 0.871 39.273 38.460 -0.098 0.000 1.187 284 Y HN 0.419 nan 8.280 nan 0.000 0.510 285 R N 1.476 121.792 120.500 -0.307 0.000 2.629 285 R HA 0.245 4.452 4.340 -0.222 0.000 0.386 285 R C -0.425 175.867 176.300 -0.014 0.000 1.071 285 R CA -0.081 55.867 56.100 -0.252 0.000 1.104 285 R CB 0.861 30.962 30.300 -0.332 0.000 1.370 285 R HN 0.681 nan 8.270 nan 0.000 0.574 286 T N -2.597 111.969 114.554 0.019 0.000 2.786 286 T HA 0.449 4.665 4.350 -0.222 0.000 0.316 286 T C -0.193 174.414 174.700 -0.154 0.000 1.503 286 T CA 0.483 62.510 62.100 -0.122 0.000 1.019 286 T CB 1.478 70.109 68.868 -0.394 0.000 1.415 286 T HN 0.280 nan 8.240 nan 0.000 0.496 287 G N 0.978 109.548 108.800 -0.382 0.000 2.148 287 G HA2 -0.220 3.607 3.960 -0.222 0.000 0.203 287 G HA3 -0.220 3.607 3.960 -0.222 0.000 0.203 287 G C 0.287 175.299 174.900 0.188 0.000 0.993 287 G CA 0.797 45.777 45.100 -0.200 0.000 0.661 287 G HN 1.185 nan 8.290 nan 0.000 0.518 288 Y N -0.918 119.484 120.300 0.170 0.000 2.449 288 Y HA 0.660 5.109 4.550 -0.169 0.000 0.254 288 Y C 0.906 176.886 175.900 0.133 0.000 1.140 288 Y CA 0.134 58.377 58.100 0.239 0.000 1.272 288 Y CB 0.249 38.755 38.460 0.077 0.000 1.114 288 Y HN 0.286 nan 8.280 nan 0.000 0.525 289 T N -0.015 114.371 114.554 -0.279 0.000 2.896 289 T HA 0.250 4.466 4.350 -0.222 0.000 0.297 289 T C 1.072 175.535 174.700 -0.394 0.000 1.108 289 T CA 0.143 61.917 62.100 -0.543 0.000 1.004 289 T CB 1.434 70.116 68.868 -0.310 0.000 1.159 289 T HN 0.328 nan 8.240 nan 0.000 0.499 290 T N -0.052 114.185 114.554 -0.530 0.000 2.699 290 T HA -0.197 4.019 4.350 -0.222 0.000 0.268 290 T C 1.959 176.739 174.700 0.134 0.000 1.036 290 T CA 2.494 64.617 62.100 0.038 0.000 1.147 290 T CB -1.438 67.453 68.868 0.039 0.000 0.862 290 T HN 0.822 nan 8.240 nan 0.000 0.446 291 T N -0.478 114.068 114.554 -0.014 0.000 3.025 291 T HA -0.061 4.155 4.350 -0.222 0.000 0.270 291 T C 1.351 176.016 174.700 -0.058 0.000 1.126 291 T CA 1.090 63.182 62.100 -0.013 0.000 1.105 291 T CB -0.507 68.335 68.868 -0.043 0.000 0.884 291 T HN 0.304 nan 8.240 nan 0.000 0.522 292 D N 0.429 120.749 120.400 -0.133 0.000 2.312 292 D HA 0.035 4.541 4.640 -0.222 0.000 0.211 292 D C -0.431 175.679 176.300 -0.317 0.000 0.964 292 D CA 0.692 54.516 54.000 -0.293 0.000 0.877 292 D CB -0.146 40.339 40.800 -0.526 0.000 0.924 292 D HN 0.568 nan 8.370 nan 0.000 0.515 293 Y N 0.255 120.460 120.300 -0.158 0.000 2.587 293 Y HA 0.183 4.598 4.550 -0.226 0.000 0.328 293 Y C 1.550 177.383 175.900 -0.112 0.000 0.980 293 Y CA -0.645 57.252 58.100 -0.337 0.000 1.272 293 Y CB 1.055 38.920 38.460 -0.991 0.000 1.094 293 Y HN -0.207 nan 8.280 nan 0.000 0.503 294 T N -2.218 112.359 114.554 0.038 0.000 3.113 294 T HA 0.169 4.386 4.350 -0.222 0.000 0.256 294 T C 0.543 175.296 174.700 0.089 0.000 1.131 294 T CA 0.674 62.812 62.100 0.062 0.000 1.074 294 T CB -0.099 68.787 68.868 0.031 0.000 0.944 294 T HN 0.528 nan 8.240 nan 0.000 0.516 295 S N -0.856 114.907 115.700 0.105 0.000 2.636 295 S HA 0.417 4.754 4.470 -0.222 0.000 0.266 295 S C 0.322 175.046 174.600 0.206 0.000 1.147 295 S CA -0.370 57.911 58.200 0.135 0.000 0.815 295 S CB 1.268 64.515 63.200 0.079 0.000 1.119 295 S HN -0.030 nan 8.310 nan 0.000 0.470 296 E N 1.053 121.376 120.200 0.205 0.000 2.160 296 E HA -0.049 4.168 4.350 -0.222 0.000 0.195 296 E C 1.471 178.173 176.600 0.170 0.000 0.991 296 E CA 1.858 58.403 56.400 0.242 0.000 0.810 296 E CB -0.330 29.445 29.700 0.125 0.000 0.742 296 E HN 0.617 nan 8.360 nan 0.000 0.466 297 K N 0.037 120.488 120.400 0.085 0.000 2.147 297 K HA -0.138 4.049 4.320 -0.222 0.000 0.205 297 K C 1.440 178.017 176.600 -0.038 0.000 1.049 297 K CA 1.365 57.669 56.287 0.029 0.000 0.936 297 K CB -0.029 32.480 32.500 0.016 0.000 0.722 297 K HN 0.172 nan 8.250 nan 0.000 0.446 298 D N -0.396 119.941 120.400 -0.104 0.000 2.183 298 D HA -0.109 4.398 4.640 -0.222 0.000 0.203 298 D C 1.488 177.485 176.300 -0.504 0.000 0.969 298 D CA 0.816 54.554 54.000 -0.437 0.000 0.842 298 D CB -0.155 40.362 40.800 -0.473 0.000 0.957 298 D HN 0.271 nan 8.370 nan 0.000 0.484 299 W N 1.676 122.926 121.300 -0.084 0.000 2.388 299 W HA -0.024 4.502 4.660 -0.223 0.000 0.294 299 W C 2.337 178.803 176.519 -0.087 0.000 1.212 299 W CA 0.526 57.814 57.345 -0.095 0.000 1.271 299 W CB -0.111 29.269 29.460 -0.133 0.000 1.126 299 W HN 0.022 nan 8.180 nan 0.000 0.535 300 E N 0.113 120.394 120.200 0.135 0.000 2.106 300 E HA -0.185 4.031 4.350 -0.222 0.000 0.192 300 E C 2.332 178.987 176.600 0.092 0.000 0.984 300 E CA 1.221 57.683 56.400 0.103 0.000 0.806 300 E CB -0.474 29.267 29.700 0.068 0.000 0.750 300 E HN 0.239 nan 8.360 nan 0.000 0.458 301 A N 1.647 124.457 122.820 -0.016 0.000 1.902 301 A HA -0.228 3.959 4.320 -0.222 0.000 0.217 301 A C 2.137 179.829 177.584 0.181 0.000 1.181 301 A CA 1.797 53.862 52.037 0.048 0.000 0.623 301 A CB -0.420 18.570 19.000 -0.017 0.000 0.818 301 A HN 0.037 nan 8.150 nan 0.000 0.443 302 R N -0.409 120.094 120.500 0.004 0.000 2.081 302 R HA -0.107 4.100 4.340 -0.222 0.000 0.235 302 R C 1.888 178.336 176.300 0.247 0.000 1.131 302 R CA 1.775 57.993 56.100 0.196 0.000 0.960 302 R CB -0.892 29.487 30.300 0.132 0.000 0.856 302 R HN 0.424 nan 8.270 nan 0.000 0.436 303 L N 0.037 121.384 121.223 0.207 0.000 2.046 303 L HA -0.036 4.170 4.340 -0.222 0.000 0.208 303 L C 2.036 179.043 176.870 0.228 0.000 1.077 303 L CA 1.781 56.734 54.840 0.189 0.000 0.747 303 L CB -0.923 41.228 42.059 0.153 0.000 0.896 303 L HN 0.319 nan 8.230 nan 0.000 0.432 304 F N -0.359 119.658 119.950 0.112 0.000 2.095 304 F HA -0.268 4.125 4.527 -0.224 0.000 0.298 304 F C 2.056 177.932 175.800 0.128 0.000 1.104 304 F CA 2.004 60.073 58.000 0.116 0.000 1.232 304 F CB -0.234 38.830 39.000 0.107 0.000 0.987 304 F HN 0.074 nan 8.300 nan 0.000 0.475 305 L N 0.085 121.452 121.223 0.240 0.000 2.046 305 L HA -0.193 4.013 4.340 -0.222 0.000 0.208 305 L C 2.505 179.417 176.870 0.069 0.000 1.077 305 L CA 1.292 56.196 54.840 0.108 0.000 0.747 305 L CB -0.828 41.406 42.059 0.292 0.000 0.896 305 L HN 0.136 nan 8.230 nan 0.000 0.432 306 E N 0.482 120.776 120.200 0.156 0.000 2.150 306 E HA -0.185 4.032 4.350 -0.222 0.000 0.193 306 E C 2.060 178.712 176.600 0.087 0.000 0.985 306 E CA 1.013 57.496 56.400 0.138 0.000 0.814 306 E CB -0.059 29.736 29.700 0.159 0.000 0.752 306 E HN 0.496 nan 8.360 nan 0.000 0.466 307 K N 1.170 121.607 120.400 0.061 0.000 2.296 307 K HA -0.002 4.185 4.320 -0.222 0.000 0.200 307 K C 1.363 178.036 176.600 0.123 0.000 1.048 307 K CA 0.246 56.587 56.287 0.091 0.000 0.966 307 K CB 0.097 32.653 32.500 0.093 0.000 0.754 307 K HN 0.030 nan 8.250 nan 0.000 0.466 308 S N -0.231 115.446 115.700 -0.040 0.000 2.596 308 S HA -0.000 4.336 4.470 -0.222 0.000 0.260 308 S C 0.715 175.351 174.600 0.061 0.000 1.336 308 S CA -0.539 57.609 58.200 -0.088 0.000 0.993 308 S CB 0.383 63.425 63.200 -0.264 0.000 0.923 308 S HN 0.189 nan 8.310 nan 0.000 0.567 309 F N 1.262 121.137 119.950 -0.125 0.000 2.748 309 F HA 0.376 4.771 4.527 -0.219 0.000 0.299 309 F C 1.353 177.215 175.800 0.103 0.000 1.154 309 F CA -0.093 57.906 58.000 -0.002 0.000 1.446 309 F CB -0.882 38.085 39.000 -0.056 0.000 1.112 309 F HN 0.790 nan 8.300 nan 0.000 0.584 310 A N 0.970 123.772 122.820 -0.031 0.000 2.445 310 A HA 0.289 4.476 4.320 -0.222 0.000 0.242 310 A C 0.238 177.722 177.584 -0.166 0.000 1.075 310 A CA -0.388 51.550 52.037 -0.165 0.000 0.777 310 A CB -0.159 18.686 19.000 -0.258 0.000 1.013 310 A HN 0.234 nan 8.150 nan 0.000 0.493 311 I N 1.666 122.131 120.570 -0.175 0.000 2.471 311 I HA 0.110 4.147 4.170 -0.222 0.000 0.286 311 I C 0.179 176.216 176.117 -0.134 0.000 1.079 311 I CA -0.072 61.146 61.300 -0.137 0.000 1.398 311 I CB 0.859 38.787 38.000 -0.121 0.000 1.403 311 I HN 0.547 nan 8.210 nan 0.000 0.530 312 K N 4.981 125.338 120.400 -0.072 0.000 2.118 312 K HA 0.626 4.812 4.320 -0.222 0.000 0.267 312 K C -0.421 176.180 176.600 0.002 0.000 0.991 312 K CA -0.294 55.985 56.287 -0.013 0.000 0.916 312 K CB 1.596 34.183 32.500 0.145 0.000 1.041 312 K HN 0.646 nan 8.250 nan 0.000 0.455 313 A N 4.516 127.359 122.820 0.039 0.000 2.943 313 A HA 0.393 4.580 4.320 -0.222 0.000 0.327 313 A C -2.580 175.160 177.584 0.260 0.000 1.141 313 A CA -1.249 50.833 52.037 0.075 0.000 0.773 313 A CB 0.233 19.216 19.000 -0.028 0.000 1.143 313 A HN 0.468 nan 8.150 nan 0.000 0.463 314 P HA 0.457 nan 4.420 nan 0.000 0.285 314 P C -1.038 176.432 177.300 0.282 0.000 1.285 314 P CA -0.259 62.985 63.100 0.241 0.000 0.854 314 P CB 1.588 33.453 31.700 0.276 0.000 1.180 315 D N -0.009 120.500 120.400 0.182 0.000 2.451 315 D HA 0.079 4.585 4.640 -0.222 0.000 0.259 315 D C 1.639 178.021 176.300 0.136 0.000 1.201 315 D CA -0.572 53.533 54.000 0.175 0.000 1.028 315 D CB -0.058 40.804 40.800 0.104 0.000 1.095 315 D HN 0.163 nan 8.370 nan 0.000 0.539 316 L N -0.905 120.384 121.223 0.110 0.000 2.013 316 L HA -0.213 3.993 4.340 -0.222 0.000 0.212 316 L C 2.562 179.450 176.870 0.031 0.000 1.073 316 L CA 1.240 56.119 54.840 0.065 0.000 0.753 316 L CB -0.515 41.595 42.059 0.086 0.000 0.890 316 L HN 0.346 nan 8.230 nan 0.000 0.432 317 L N -1.176 120.033 121.223 -0.023 0.000 2.056 317 L HA -0.186 4.021 4.340 -0.222 0.000 0.207 317 L C 2.616 179.553 176.870 0.112 0.000 1.078 317 L CA 1.438 56.249 54.840 -0.048 0.000 0.749 317 L CB -0.890 41.092 42.059 -0.127 0.000 0.901 317 L HN 0.285 nan 8.230 nan 0.000 0.433 318 T N -1.046 113.630 114.554 0.203 0.000 2.746 318 T HA -0.287 3.930 4.350 -0.222 0.000 0.267 318 T C 1.817 176.686 174.700 0.282 0.000 1.039 318 T CA 1.540 63.848 62.100 0.347 0.000 1.142 318 T CB -0.166 68.971 68.868 0.448 0.000 0.866 318 T HN 0.359 nan 8.240 nan 0.000 0.444 319 Q N 0.497 120.421 119.800 0.207 0.000 2.030 319 Q HA -0.077 4.129 4.340 -0.222 0.000 0.204 319 Q C 2.254 178.337 176.000 0.138 0.000 0.986 319 Q CA 1.356 57.259 55.803 0.168 0.000 0.843 319 Q CB -0.341 28.471 28.738 0.124 0.000 0.904 319 Q HN 0.478 nan 8.270 nan 0.000 0.420 320 L N 0.930 122.220 121.223 0.113 0.000 2.191 320 L HA -0.152 4.054 4.340 -0.222 0.000 0.212 320 L C 2.654 179.580 176.870 0.092 0.000 1.103 320 L CA 1.148 56.043 54.840 0.092 0.000 0.769 320 L CB -0.490 41.621 42.059 0.087 0.000 0.908 320 L HN 0.373 nan 8.230 nan 0.000 0.438 321 S N -0.332 115.444 115.700 0.127 0.000 2.447 321 S HA -0.091 4.245 4.470 -0.222 0.000 0.233 321 S C 1.701 176.438 174.600 0.229 0.000 1.006 321 S CA 0.815 59.104 58.200 0.149 0.000 0.957 321 S CB -0.578 62.744 63.200 0.203 0.000 0.773 321 S HN 0.411 nan 8.310 nan 0.000 0.507 322 G N 1.937 110.829 108.800 0.154 0.000 3.379 322 G HA2 0.327 4.153 3.960 -0.222 0.000 0.253 322 G HA3 0.327 4.153 3.960 -0.222 0.000 0.253 322 G C 0.288 175.230 174.900 0.070 0.000 1.262 322 G CA 0.036 45.188 45.100 0.087 0.000 0.959 322 G HN 0.671 nan 8.290 nan 0.000 0.524 323 S N -0.382 115.366 115.700 0.079 0.000 2.585 323 S HA 0.271 4.608 4.470 -0.222 0.000 0.273 323 S C 1.343 175.956 174.600 0.021 0.000 1.339 323 S CA -0.535 57.690 58.200 0.041 0.000 1.028 323 S CB 1.780 64.991 63.200 0.017 0.000 0.906 323 S HN 0.057 nan 8.310 nan 0.000 0.528 324 K N 1.374 121.775 120.400 0.001 0.000 2.147 324 K HA -0.084 4.103 4.320 -0.222 0.000 0.205 324 K C 2.304 178.890 176.600 -0.025 0.000 1.049 324 K CA 1.144 57.421 56.287 -0.016 0.000 0.936 324 K CB -0.641 31.846 32.500 -0.021 0.000 0.722 324 K HN 0.646 nan 8.250 nan 0.000 0.446 325 K N 1.320 121.705 120.400 -0.025 0.000 2.057 325 K HA -0.027 4.160 4.320 -0.222 0.000 0.207 325 K C 2.178 178.752 176.600 -0.045 0.000 1.049 325 K CA 0.763 57.030 56.287 -0.033 0.000 0.931 325 K CB -0.460 32.014 32.500 -0.044 0.000 0.714 325 K HN 0.251 nan 8.250 nan 0.000 0.440 326 I N 0.644 121.189 120.570 -0.042 0.000 2.315 326 I HA -0.205 3.832 4.170 -0.222 0.000 0.248 326 I C 3.045 179.111 176.117 -0.085 0.000 1.117 326 I CA 1.758 63.019 61.300 -0.066 0.000 1.404 326 I CB -0.370 37.596 38.000 -0.057 0.000 1.071 326 I HN 0.482 nan 8.210 nan 0.000 0.419 327 Q N 0.653 120.423 119.800 -0.050 0.000 2.096 327 Q HA -0.291 3.916 4.340 -0.222 0.000 0.204 327 Q C 2.330 178.207 176.000 -0.205 0.000 0.982 327 Q CA 1.734 57.471 55.803 -0.111 0.000 0.850 327 Q CB -0.096 28.596 28.738 -0.076 0.000 0.901 327 Q HN 0.433 nan 8.270 nan 0.000 0.422 328 Q N -0.076 119.645 119.800 -0.131 0.000 2.046 328 Q HA -0.139 4.068 4.340 -0.222 0.000 0.200 328 Q C 2.189 178.113 176.000 -0.127 0.000 0.975 328 Q CA 1.457 57.183 55.803 -0.129 0.000 0.836 328 Q CB -0.326 28.375 28.738 -0.063 0.000 0.896 328 Q HN 0.359 nan 8.270 nan 0.000 0.428 329 L N 0.840 122.012 121.223 -0.086 0.000 2.043 329 L HA -0.179 4.028 4.340 -0.222 0.000 0.212 329 L C 2.750 179.587 176.870 -0.055 0.000 1.075 329 L CA 1.365 56.177 54.840 -0.046 0.000 0.752 329 L CB -1.375 40.676 42.059 -0.014 0.000 0.891 329 L HN 0.394 nan 8.230 nan 0.000 0.432 330 L N 0.042 121.194 121.223 -0.118 0.000 2.456 330 L HA -0.137 4.069 4.340 -0.222 0.000 0.224 330 L C 2.627 179.461 176.870 -0.060 0.000 1.148 330 L CA 1.458 56.242 54.840 -0.094 0.000 0.825 330 L CB -0.965 40.989 42.059 -0.173 0.000 0.937 330 L HN 0.612 nan 8.230 nan 0.000 0.450 331 T N -4.235 110.220 114.554 -0.165 0.000 3.072 331 T HA -0.121 4.095 4.350 -0.222 0.000 0.266 331 T C 0.792 175.523 174.700 0.051 0.000 1.127 331 T CA 0.105 62.175 62.100 -0.050 0.000 1.107 331 T CB -0.325 68.457 68.868 -0.143 0.000 0.910 331 T HN 0.145 nan 8.240 nan 0.000 0.513 332 D N 1.455 121.868 120.400 0.022 0.000 2.325 332 D HA 0.130 4.636 4.640 -0.222 0.000 0.251 332 D C 1.000 177.334 176.300 0.057 0.000 1.196 332 D CA -0.320 53.699 54.000 0.031 0.000 0.866 332 D CB 1.197 42.007 40.800 0.017 0.000 1.101 332 D HN 0.356 nan 8.370 nan 0.000 0.476 333 E N 2.319 122.551 120.200 0.054 0.000 2.171 333 E HA -0.188 4.029 4.350 -0.222 0.000 0.197 333 E C 1.766 178.381 176.600 0.025 0.000 0.997 333 E CA 1.417 57.844 56.400 0.046 0.000 0.810 333 E CB -0.036 29.680 29.700 0.027 0.000 0.738 333 E HN 0.732 nan 8.360 nan 0.000 0.467 334 G N -0.152 108.656 108.800 0.013 0.000 2.408 334 G HA2 -0.206 3.621 3.960 -0.222 0.000 0.217 334 G HA3 -0.206 3.621 3.960 -0.222 0.000 0.217 334 G C 1.613 176.506 174.900 -0.011 0.000 1.150 334 G CA 0.756 45.851 45.100 -0.009 0.000 0.776 334 G HN 0.206 nan 8.290 nan 0.000 0.542 335 V N 0.621 120.548 119.914 0.021 0.000 2.307 335 V HA -0.090 3.897 4.120 -0.222 0.000 0.245 335 V C 2.655 178.818 176.094 0.116 0.000 1.045 335 V CA 1.488 63.824 62.300 0.060 0.000 1.024 335 V CB -0.396 31.483 31.823 0.094 0.000 0.651 335 V HN 0.340 nan 8.190 nan 0.000 0.449 336 L N 1.615 122.908 121.223 0.117 0.000 2.042 336 L HA -0.086 4.121 4.340 -0.222 0.000 0.210 336 L C 2.307 179.230 176.870 0.088 0.000 1.076 336 L CA 2.458 57.386 54.840 0.147 0.000 0.749 336 L CB -1.329 40.806 42.059 0.127 0.000 0.893 336 L HN 0.304 nan 8.230 nan 0.000 0.432 337 G N -1.162 107.646 108.800 0.013 0.000 2.535 337 G HA2 -0.227 3.599 3.960 -0.222 0.000 0.218 337 G HA3 -0.227 3.599 3.960 -0.222 0.000 0.218 337 G C 1.551 176.387 174.900 -0.107 0.000 1.122 337 G CA 0.542 45.619 45.100 -0.037 0.000 0.769 337 G HN 0.442 nan 8.290 nan 0.000 0.549 338 K N -0.923 119.355 120.400 -0.203 0.000 2.418 338 K HA 0.083 4.269 4.320 -0.222 0.000 0.195 338 K C 1.161 177.380 176.600 -0.635 0.000 1.035 338 K CA 0.517 56.544 56.287 -0.434 0.000 1.003 338 K CB 0.092 32.248 32.500 -0.574 0.000 0.793 338 K HN 0.548 nan 8.250 nan 0.000 0.494 339 Y N -0.586 119.682 120.300 -0.054 0.000 2.589 339 Y HA 0.221 4.642 4.550 -0.215 0.000 0.271 339 Y C 0.590 176.446 175.900 -0.074 0.000 1.107 339 Y CA -0.444 57.614 58.100 -0.071 0.000 1.273 339 Y CB 1.114 39.511 38.460 -0.105 0.000 1.266 339 Y HN -0.169 nan 8.280 nan 0.000 0.504 340 I N 1.062 121.664 120.570 0.053 0.000 2.476 340 I HA 0.145 4.182 4.170 -0.222 0.000 0.281 340 I C 0.744 176.844 176.117 -0.027 0.000 1.040 340 I CA -0.305 60.993 61.300 -0.002 0.000 1.094 340 I CB 1.397 39.379 38.000 -0.030 0.000 1.219 340 I HN 0.070 nan 8.210 nan 0.000 0.450 341 S N 2.564 118.243 115.700 -0.034 0.000 2.486 341 S HA -0.001 4.336 4.470 -0.222 0.000 0.220 341 S C 0.584 175.161 174.600 -0.038 0.000 1.011 341 S CA -0.099 58.077 58.200 -0.040 0.000 0.921 341 S CB -0.116 63.060 63.200 -0.040 0.000 0.785 341 S HN 0.628 nan 8.310 nan 0.000 0.517 342 D N 1.681 122.059 120.400 -0.038 0.000 2.472 342 D HA 0.434 4.941 4.640 -0.222 0.000 0.248 342 D C 1.276 177.548 176.300 -0.047 0.000 1.174 342 D CA 0.539 54.515 54.000 -0.039 0.000 0.883 342 D CB 0.911 41.687 40.800 -0.040 0.000 1.149 342 D HN 0.241 nan 8.370 nan 0.000 0.488 343 A N 4.268 127.063 122.820 -0.042 0.000 1.892 343 A HA -0.253 3.933 4.320 -0.222 0.000 0.218 343 A C 1.894 179.444 177.584 -0.055 0.000 1.188 343 A CA 1.523 53.533 52.037 -0.045 0.000 0.631 343 A CB -0.448 18.530 19.000 -0.036 0.000 0.822 343 A HN 0.799 nan 8.150 nan 0.000 0.447 344 E N -0.440 119.728 120.200 -0.055 0.000 2.107 344 E HA -0.147 4.069 4.350 -0.222 0.000 0.191 344 E C 2.090 178.638 176.600 -0.087 0.000 0.982 344 E CA 1.123 57.484 56.400 -0.064 0.000 0.809 344 E CB -0.148 29.519 29.700 -0.054 0.000 0.756 344 E HN 0.607 nan 8.360 nan 0.000 0.459 345 K N 1.111 121.458 120.400 -0.089 0.000 2.057 345 K HA -0.139 4.047 4.320 -0.222 0.000 0.207 345 K C 2.193 178.700 176.600 -0.155 0.000 1.049 345 K CA 0.907 57.121 56.287 -0.121 0.000 0.931 345 K CB -0.063 32.375 32.500 -0.104 0.000 0.714 345 K HN -0.066 nan 8.250 nan 0.000 0.440 346 K N 0.755 121.083 120.400 -0.121 0.000 2.032 346 K HA -0.126 4.060 4.320 -0.222 0.000 0.209 346 K C 2.185 178.696 176.600 -0.148 0.000 1.048 346 K CA 1.674 57.888 56.287 -0.121 0.000 0.927 346 K CB 0.037 32.493 32.500 -0.073 0.000 0.712 346 K HN -0.017 nan 8.250 nan 0.000 0.441 347 S N 0.237 115.864 115.700 -0.121 0.000 2.368 347 S HA -0.085 4.251 4.470 -0.222 0.000 0.224 347 S C 1.962 176.464 174.600 -0.162 0.000 1.029 347 S CA 1.295 59.423 58.200 -0.120 0.000 0.988 347 S CB -0.111 63.039 63.200 -0.084 0.000 0.838 347 S HN 0.284 nan 8.310 nan 0.000 0.462 348 S N 1.745 117.342 115.700 -0.171 0.000 2.368 348 S HA 0.005 4.342 4.470 -0.222 0.000 0.225 348 S C 1.795 176.223 174.600 -0.286 0.000 1.030 348 S CA 0.954 59.040 58.200 -0.190 0.000 0.999 348 S CB -0.416 62.681 63.200 -0.171 0.000 0.844 348 S HN 0.356 nan 8.310 nan 0.000 0.459 349 L N 0.921 121.907 121.223 -0.395 0.000 2.027 349 L HA -0.082 4.124 4.340 -0.222 0.000 0.206 349 L C 2.239 178.540 176.870 -0.947 0.000 1.074 349 L CA 1.066 55.508 54.840 -0.664 0.000 0.745 349 L CB -0.590 41.085 42.059 -0.640 0.000 0.898 349 L HN 0.280 nan 8.230 nan 0.000 0.433 350 L N 0.301 121.141 121.223 -0.638 0.000 2.127 350 L HA -0.225 3.981 4.340 -0.222 0.000 0.211 350 L C 2.612 179.296 176.870 -0.310 0.000 1.089 350 L CA 1.479 56.023 54.840 -0.493 0.000 0.757 350 L CB -0.593 41.372 42.059 -0.157 0.000 0.899 350 L HN 0.388 nan 8.230 nan 0.000 0.434 351 K N -0.233 120.029 120.400 -0.230 0.000 2.439 351 K HA -0.085 4.101 4.320 -0.222 0.000 0.197 351 K C 1.573 178.139 176.600 -0.055 0.000 1.041 351 K CA 1.477 57.701 56.287 -0.104 0.000 0.970 351 K CB -0.429 32.022 32.500 -0.082 0.000 0.773 351 K HN 0.330 nan 8.250 nan 0.000 0.479 352 T N -1.746 112.742 114.554 -0.110 0.000 3.107 352 T HA 0.168 4.385 4.350 -0.222 0.000 0.249 352 T C -0.041 174.847 174.700 0.313 0.000 1.096 352 T CA -0.618 61.553 62.100 0.119 0.000 1.012 352 T CB -0.211 68.843 68.868 0.309 0.000 0.977 352 T HN -0.024 nan 8.240 nan 0.000 0.527 353 F N 2.553 122.590 119.950 0.144 0.000 2.399 353 F HA 0.657 5.046 4.527 -0.230 0.000 0.334 353 F C 0.563 176.408 175.800 0.075 0.000 1.097 353 F CA -2.633 55.434 58.000 0.113 0.000 1.076 353 F CB 1.230 40.280 39.000 0.083 0.000 1.162 353 F HN 0.030 nan 8.300 nan 0.000 0.495 354 V N -0.242 119.828 119.914 0.261 0.000 3.406 354 V HA 0.608 4.594 4.120 -0.222 0.000 0.305 354 V C -0.070 176.087 176.094 0.105 0.000 1.136 354 V CA -1.265 61.127 62.300 0.154 0.000 1.011 354 V CB 0.816 32.710 31.823 0.118 0.000 1.221 354 V HN 0.447 nan 8.190 nan 0.000 0.454 355 K N 1.408 121.859 120.400 0.085 0.000 2.298 355 K HA 0.589 4.776 4.320 -0.222 0.000 0.280 355 K C -0.657 175.911 176.600 -0.053 0.000 1.032 355 K CA 0.168 56.447 56.287 -0.013 0.000 0.958 355 K CB 0.666 33.233 32.500 0.111 0.000 0.978 355 K HN 0.677 nan 8.250 nan 0.000 0.472 356 I N 3.353 123.751 120.570 -0.287 0.000 2.534 356 I HA 0.270 4.307 4.170 -0.222 0.000 0.288 356 I C -1.060 174.848 176.117 -0.348 0.000 1.077 356 I CA -1.033 60.161 61.300 -0.176 0.000 1.051 356 I CB 1.257 39.184 38.000 -0.121 0.000 1.234 356 I HN 0.385 nan 8.210 nan 0.000 0.425 357 Y N 6.233 126.542 120.300 0.013 0.000 2.524 357 Y HA 0.584 5.001 4.550 -0.221 0.000 0.344 357 Y C -2.372 173.532 175.900 0.006 0.000 1.012 357 Y CA -2.539 55.561 58.100 0.000 0.000 1.068 357 Y CB 1.542 39.983 38.460 -0.031 0.000 1.249 357 Y HN 0.315 nan 8.280 nan 0.000 0.468 358 P HA 0.321 nan 4.420 nan 0.000 0.279 358 P C -0.602 176.791 177.300 0.155 0.000 1.276 358 P CA -0.375 62.804 63.100 0.131 0.000 0.801 358 P CB 1.749 33.507 31.700 0.097 0.000 1.127 359 L N 0.477 121.799 121.223 0.164 0.000 3.083 359 L HA 0.252 4.458 4.340 -0.222 0.000 0.286 359 L C 0.264 177.255 176.870 0.203 0.000 1.307 359 L CA -0.335 54.633 54.840 0.213 0.000 0.897 359 L CB -0.091 42.140 42.059 0.287 0.000 1.306 359 L HN 0.380 nan 8.230 nan 0.000 0.569 360 D N -3.090 117.388 120.400 0.129 0.000 2.624 360 D HA 0.106 4.613 4.640 -0.222 0.000 0.257 360 D C 0.415 176.744 176.300 0.049 0.000 1.167 360 D CA -0.566 53.483 54.000 0.082 0.000 1.086 360 D CB 0.641 41.480 40.800 0.065 0.000 1.210 360 D HN -0.190 nan 8.370 nan 0.000 0.631 361 D N -1.171 119.242 120.400 0.021 0.000 2.325 361 D HA 0.080 4.587 4.640 -0.222 0.000 0.225 361 D C 0.016 176.326 176.300 0.017 0.000 1.096 361 D CA 0.050 54.053 54.000 0.005 0.000 0.844 361 D CB -0.367 40.423 40.800 -0.016 0.000 0.925 361 D HN 0.454 nan 8.370 nan 0.000 0.513 362 T N -3.943 110.632 114.554 0.034 0.000 2.754 362 T HA 0.389 4.605 4.350 -0.222 0.000 0.286 362 T C 1.665 176.390 174.700 0.042 0.000 0.997 362 T CA 0.131 62.254 62.100 0.038 0.000 0.982 362 T CB 1.076 69.974 68.868 0.050 0.000 1.027 362 T HN 0.011 nan 8.240 nan 0.000 0.529 363 K N -0.109 120.316 120.400 0.041 0.000 2.032 363 K HA -0.038 4.148 4.320 -0.222 0.000 0.209 363 K C 2.200 178.839 176.600 0.066 0.000 1.048 363 K CA 1.779 58.093 56.287 0.044 0.000 0.927 363 K CB -1.416 31.108 32.500 0.040 0.000 0.712 363 K HN 0.540 nan 8.250 nan 0.000 0.441 364 L N 0.723 121.999 121.223 0.087 0.000 2.056 364 L HA 0.101 4.308 4.340 -0.222 0.000 0.207 364 L C 2.770 179.733 176.870 0.155 0.000 1.078 364 L CA 2.041 56.968 54.840 0.145 0.000 0.749 364 L CB -0.926 41.210 42.059 0.128 0.000 0.901 364 L HN 0.487 nan 8.230 nan 0.000 0.433 365 G N -1.273 107.592 108.800 0.109 0.000 2.408 365 G HA2 -0.225 3.601 3.960 -0.222 0.000 0.217 365 G HA3 -0.225 3.601 3.960 -0.222 0.000 0.217 365 G C 1.781 176.724 174.900 0.073 0.000 1.150 365 G CA 0.434 45.596 45.100 0.103 0.000 0.776 365 G HN 0.322 nan 8.290 nan 0.000 0.542 366 R N 0.120 120.650 120.500 0.049 0.000 2.092 366 R HA -0.001 4.206 4.340 -0.222 0.000 0.231 366 R C 2.413 178.713 176.300 -0.001 0.000 1.119 366 R CA 1.207 57.323 56.100 0.026 0.000 0.970 366 R CB -0.248 30.061 30.300 0.015 0.000 0.864 366 R HN 0.546 nan 8.270 nan 0.000 0.440 367 E N 0.330 120.525 120.200 -0.010 0.000 2.106 367 E HA -0.125 4.092 4.350 -0.222 0.000 0.192 367 E C 1.988 178.435 176.600 -0.255 0.000 0.984 367 E CA 1.217 57.565 56.400 -0.087 0.000 0.806 367 E CB -0.130 29.553 29.700 -0.029 0.000 0.750 367 E HN 0.371 nan 8.360 nan 0.000 0.458 368 G N 1.143 109.810 108.800 -0.223 0.000 2.418 368 G HA2 -0.262 3.564 3.960 -0.222 0.000 0.217 368 G HA3 -0.262 3.564 3.960 -0.222 0.000 0.217 368 G C 1.511 176.285 174.900 -0.210 0.000 1.158 368 G CA 0.834 45.729 45.100 -0.342 0.000 0.771 368 G HN 0.185 nan 8.290 nan 0.000 0.545 369 K N 0.035 120.419 120.400 -0.027 0.000 2.097 369 K HA -0.017 4.170 4.320 -0.222 0.000 0.206 369 K C 2.719 179.329 176.600 0.018 0.000 1.049 369 K CA 0.792 57.140 56.287 0.101 0.000 0.933 369 K CB -0.135 32.508 32.500 0.238 0.000 0.717 369 K HN 0.167 nan 8.250 nan 0.000 0.442 370 R N 0.683 121.157 120.500 -0.044 0.000 2.075 370 R HA -0.049 4.158 4.340 -0.222 0.000 0.232 370 R C 2.361 178.598 176.300 -0.105 0.000 1.126 370 R CA 1.102 57.171 56.100 -0.052 0.000 0.963 370 R CB -0.336 29.931 30.300 -0.055 0.000 0.858 370 R HN 0.165 nan 8.270 nan 0.000 0.435 371 L N 0.039 121.129 121.223 -0.220 0.000 2.093 371 L HA -0.101 4.106 4.340 -0.222 0.000 0.208 371 L C 2.659 179.371 176.870 -0.263 0.000 1.085 371 L CA 1.037 55.714 54.840 -0.272 0.000 0.755 371 L CB -0.566 41.166 42.059 -0.545 0.000 0.904 371 L HN 0.228 nan 8.230 nan 0.000 0.435 372 A N 0.038 122.672 122.820 -0.310 0.000 1.978 372 A HA -0.148 4.038 4.320 -0.222 0.000 0.220 372 A C 2.186 179.687 177.584 -0.138 0.000 1.170 372 A CA 1.502 53.387 52.037 -0.254 0.000 0.636 372 A CB -0.476 18.355 19.000 -0.282 0.000 0.810 372 A HN 0.417 nan 8.150 nan 0.000 0.448 373 L N -0.612 120.557 121.223 -0.090 0.000 2.298 373 L HA -0.015 4.192 4.340 -0.222 0.000 0.209 373 L C 2.742 179.605 176.870 -0.012 0.000 1.084 373 L CA 1.152 55.969 54.840 -0.038 0.000 0.816 373 L CB -0.207 41.857 42.059 0.008 0.000 0.967 373 L HN 0.544 nan 8.230 nan 0.000 0.460 374 S N -0.596 115.098 115.700 -0.011 0.000 2.456 374 S HA 0.017 4.353 4.470 -0.222 0.000 0.224 374 S C 0.890 175.510 174.600 0.033 0.000 1.035 374 S CA 0.023 58.228 58.200 0.009 0.000 0.940 374 S CB 0.054 63.257 63.200 0.005 0.000 0.799 374 S HN 0.453 nan 8.310 nan 0.000 0.508 375 E N 1.718 121.954 120.200 0.060 0.000 4.170 375 E HA 0.214 4.431 4.350 -0.222 0.000 0.215 375 E C -2.276 174.449 176.600 0.208 0.000 1.119 375 E CA -1.542 54.931 56.400 0.121 0.000 1.396 375 E CB 1.324 31.118 29.700 0.157 0.000 1.182 375 E HN 0.386 nan 8.360 nan 0.000 0.438 376 P HA -0.233 nan 4.420 nan 0.000 0.220 376 P C 1.605 179.008 177.300 0.171 0.000 1.148 376 P CA 1.277 64.477 63.100 0.166 0.000 0.803 376 P CB 0.234 31.968 31.700 0.057 0.000 0.782 377 S N -0.136 115.623 115.700 0.099 0.000 2.440 377 S HA -0.169 4.167 4.470 -0.222 0.000 0.240 377 S C 2.079 176.679 174.600 0.000 0.000 1.014 377 S CA 1.794 60.025 58.200 0.052 0.000 0.980 377 S CB -1.361 61.857 63.200 0.030 0.000 0.775 377 S HN 0.284 nan 8.310 nan 0.000 0.499 378 K N -0.340 120.015 120.400 -0.076 0.000 2.444 378 K HA 0.376 4.563 4.320 -0.222 0.000 0.193 378 K C 0.180 176.378 176.600 -0.670 0.000 1.024 378 K CA 0.158 56.216 56.287 -0.381 0.000 1.077 378 K CB -0.577 31.593 32.500 -0.550 0.000 0.833 378 K HN 0.710 nan 8.250 nan 0.000 0.517 379 Y N -2.524 117.797 120.300 0.035 0.000 2.665 379 Y HA 0.636 5.051 4.550 -0.224 0.000 0.336 379 Y C -0.264 175.626 175.900 -0.018 0.000 1.085 379 Y CA -1.738 56.374 58.100 0.021 0.000 1.096 379 Y CB 2.047 40.509 38.460 0.004 0.000 1.301 379 Y HN -0.155 nan 8.280 nan 0.000 0.493 380 V N 2.537 122.515 119.914 0.107 0.000 2.638 380 V HA 0.579 4.566 4.120 -0.222 0.000 0.306 380 V C -1.699 174.313 176.094 -0.137 0.000 1.052 380 V CA -0.874 61.322 62.300 -0.172 0.000 0.885 380 V CB 1.672 33.285 31.823 -0.350 0.000 0.999 380 V HN 0.649 nan 8.190 nan 0.000 0.424 381 L N 7.407 128.489 121.223 -0.235 0.000 2.265 381 L HA 0.597 4.804 4.340 -0.222 0.000 0.288 381 L C -0.229 176.548 176.870 -0.155 0.000 1.058 381 L CA 0.358 55.091 54.840 -0.179 0.000 0.809 381 L CB 0.828 42.711 42.059 -0.293 0.000 1.179 381 L HN 0.691 nan 8.230 nan 0.000 0.429 382 K N 7.097 127.491 120.400 -0.010 0.000 2.345 382 K HA 0.536 4.723 4.320 -0.222 0.000 0.255 382 K C -2.612 174.053 176.600 0.109 0.000 0.934 382 K CA -1.790 54.503 56.287 0.010 0.000 0.801 382 K CB 1.657 34.135 32.500 -0.036 0.000 1.137 382 K HN 0.401 nan 8.250 nan 0.000 0.424 383 P HA 0.020 nan 4.420 nan 0.000 0.275 383 P C -0.268 176.928 177.300 -0.174 0.000 1.228 383 P CA -0.051 62.904 63.100 -0.241 0.000 0.786 383 P CB 1.048 32.629 31.700 -0.198 0.000 0.927 384 Q N 0.845 120.509 119.800 -0.228 0.000 2.172 384 Q HA -0.048 4.159 4.340 -0.222 0.000 0.200 384 Q C 1.145 177.112 176.000 -0.054 0.000 0.964 384 Q CA 0.868 56.606 55.803 -0.107 0.000 0.855 384 Q CB 0.114 28.794 28.738 -0.098 0.000 0.918 384 Q HN 0.424 nan 8.270 nan 0.000 0.444 385 R N 1.905 122.361 120.500 -0.074 0.000 2.267 385 R HA 0.103 4.309 4.340 -0.222 0.000 0.319 385 R C -0.610 175.670 176.300 -0.033 0.000 1.067 385 R CA 0.115 56.214 56.100 -0.002 0.000 0.936 385 R CB 0.513 30.813 30.300 -0.000 0.000 1.006 385 R HN 0.151 nan 8.270 nan 0.000 0.452 386 E N 0.921 121.119 120.200 -0.004 0.000 2.314 386 E HA 0.229 4.446 4.350 -0.222 0.000 0.262 386 E C 0.716 177.294 176.600 -0.036 0.000 1.093 386 E CA 0.468 56.859 56.400 -0.015 0.000 0.908 386 E CB 0.932 30.645 29.700 0.022 0.000 1.091 386 E HN 0.844 nan 8.360 nan 0.000 0.425 387 G N 0.697 109.490 108.800 -0.012 0.000 2.184 387 G HA2 -0.313 3.513 3.960 -0.222 0.000 0.264 387 G HA3 -0.313 3.513 3.960 -0.222 0.000 0.264 387 G C 0.902 175.799 174.900 -0.004 0.000 0.975 387 G CA 0.408 45.511 45.100 0.006 0.000 0.642 387 G HN 0.722 nan 8.290 nan 0.000 0.536 388 G N 0.182 108.969 108.800 -0.020 0.000 2.744 388 G HA2 0.478 4.305 3.960 -0.222 0.000 0.211 388 G HA3 0.478 4.305 3.960 -0.222 0.000 0.211 388 G C 1.603 176.507 174.900 0.006 0.000 1.143 388 G CA 1.441 46.533 45.100 -0.012 0.000 0.788 388 G HN 2.025 nan 8.290 nan 0.000 0.534 389 G N 0.909 109.714 108.800 0.009 0.000 2.295 389 G HA2 -0.265 3.561 3.960 -0.222 0.000 0.287 389 G HA3 -0.265 3.561 3.960 -0.222 0.000 0.287 389 G C 0.283 175.193 174.900 0.017 0.000 1.055 389 G CA 0.323 45.435 45.100 0.020 0.000 0.922 389 G HN 0.730 nan 8.290 nan 0.000 0.503 390 N N -0.204 118.496 118.700 -0.001 0.000 2.480 390 N HA 0.137 4.744 4.740 -0.222 0.000 0.281 390 N C -0.104 175.352 175.510 -0.091 0.000 1.381 390 N CA -0.813 52.222 53.050 -0.024 0.000 0.903 390 N CB 0.127 38.617 38.487 0.005 0.000 1.274 390 N HN 0.233 nan 8.380 nan 0.000 0.505 391 N N 0.205 118.852 118.700 -0.089 0.000 2.508 391 N HA 0.201 4.808 4.740 -0.222 0.000 0.264 391 N C -0.577 174.742 175.510 -0.318 0.000 1.216 391 N CA -0.089 52.819 53.050 -0.238 0.000 0.943 391 N CB 1.536 39.829 38.487 -0.324 0.000 1.113 391 N HN -0.055 nan 8.380 nan 0.000 0.447 392 V N 2.970 122.601 119.914 -0.472 0.000 2.409 392 V HA 0.330 4.316 4.120 -0.222 0.000 0.291 392 V C -0.865 175.001 176.094 -0.380 0.000 1.020 392 V CA -0.669 61.405 62.300 -0.377 0.000 0.848 392 V CB 0.406 31.910 31.823 -0.532 0.000 0.990 392 V HN 0.465 nan 8.190 nan 0.000 0.430 393 Y N 3.500 123.752 120.300 -0.081 0.000 2.387 393 Y HA 0.542 4.956 4.550 -0.227 0.000 0.336 393 Y C 0.930 176.819 175.900 -0.019 0.000 1.067 393 Y CA -0.686 57.392 58.100 -0.036 0.000 1.114 393 Y CB 1.382 39.826 38.460 -0.027 0.000 1.208 393 Y HN 0.673 nan 8.280 nan 0.000 0.458 394 K N 0.208 120.704 120.400 0.159 0.000 1.888 394 K HA -0.374 3.813 4.320 -0.222 0.000 0.114 394 K C 0.930 177.574 176.600 0.073 0.000 1.252 394 K CA 1.976 58.331 56.287 0.113 0.000 0.446 394 K CB -0.673 31.893 32.500 0.109 0.000 0.566 394 K HN 0.746 nan 8.250 nan 0.000 0.937 395 E N 1.155 121.391 120.200 0.060 0.000 2.396 395 E HA -0.104 4.113 4.350 -0.222 0.000 0.200 395 E C 1.248 177.868 176.600 0.033 0.000 1.023 395 E CA 1.427 57.852 56.400 0.041 0.000 0.857 395 E CB -0.312 29.409 29.700 0.034 0.000 0.775 395 E HN 0.331 nan 8.360 nan 0.000 0.525 396 N N -0.282 118.443 118.700 0.040 0.000 2.446 396 N HA 0.031 4.637 4.740 -0.222 0.000 0.179 396 N C 1.349 176.869 175.510 0.017 0.000 1.054 396 N CA 0.113 53.184 53.050 0.035 0.000 0.905 396 N CB 0.096 38.611 38.487 0.046 0.000 0.973 396 N HN 0.143 nan 8.380 nan 0.000 0.448 397 I N 1.547 122.110 120.570 -0.012 0.000 2.163 397 I HA -0.188 3.848 4.170 -0.222 0.000 0.243 397 I C -0.813 175.260 176.117 -0.073 0.000 1.085 397 I CA 1.373 62.636 61.300 -0.061 0.000 1.347 397 I CB -1.155 36.792 38.000 -0.089 0.000 1.044 397 I HN 0.039 nan 8.210 nan 0.000 0.408 398 P HA -0.175 nan 4.420 nan 0.000 0.215 398 P C 1.198 178.461 177.300 -0.061 0.000 1.157 398 P CA 1.653 64.703 63.100 -0.084 0.000 0.868 398 P CB -0.121 31.556 31.700 -0.038 0.000 0.788 399 N N -1.348 117.343 118.700 -0.014 0.000 2.104 399 N HA -0.208 4.399 4.740 -0.222 0.000 0.190 399 N C 1.513 177.013 175.510 -0.017 0.000 1.024 399 N CA 1.064 54.114 53.050 -0.001 0.000 0.853 399 N CB -0.797 37.705 38.487 0.026 0.000 1.008 399 N HN -0.049 nan 8.380 nan 0.000 0.424 400 F N 0.736 120.605 119.950 -0.134 0.000 2.113 400 F HA 0.016 4.412 4.527 -0.219 0.000 0.297 400 F C 1.840 177.501 175.800 -0.230 0.000 1.103 400 F CA 1.202 59.100 58.000 -0.169 0.000 1.248 400 F CB -0.343 38.522 39.000 -0.224 0.000 0.999 400 F HN 0.049 nan 8.300 nan 0.000 0.475 401 L N 0.223 121.258 121.223 -0.315 0.000 2.046 401 L HA -0.238 3.969 4.340 -0.222 0.000 0.208 401 L C 2.328 179.084 176.870 -0.190 0.000 1.077 401 L CA 1.616 56.092 54.840 -0.607 0.000 0.747 401 L CB -0.730 40.674 42.059 -1.092 0.000 0.896 401 L HN 0.092 nan 8.230 nan 0.000 0.432 402 K N -0.040 120.312 120.400 -0.080 0.000 2.280 402 K HA -0.080 4.107 4.320 -0.222 0.000 0.202 402 K C 1.903 178.504 176.600 0.001 0.000 1.047 402 K CA 0.976 57.298 56.287 0.058 0.000 0.942 402 K CB -0.301 32.217 32.500 0.031 0.000 0.739 402 K HN 0.379 nan 8.250 nan 0.000 0.457 403 G N 1.582 110.307 108.800 -0.124 0.000 2.744 403 G HA2 0.052 3.879 3.960 -0.222 0.000 0.211 403 G HA3 0.052 3.879 3.960 -0.222 0.000 0.211 403 G C 0.604 175.428 174.900 -0.127 0.000 1.143 403 G CA 0.064 45.077 45.100 -0.144 0.000 0.788 403 G HN 0.316 nan 8.290 nan 0.000 0.534 404 I N -4.504 116.026 120.570 -0.066 0.000 2.934 404 I HA 0.553 4.590 4.170 -0.222 0.000 0.306 404 I C -0.954 175.269 176.117 0.176 0.000 1.110 404 I CA -1.357 59.973 61.300 0.051 0.000 1.019 404 I CB 1.983 40.006 38.000 0.038 0.000 1.227 404 I HN -0.326 nan 8.210 nan 0.000 0.434 405 E N 3.005 123.232 120.200 0.046 0.000 2.465 405 E HA -0.066 4.150 4.350 -0.222 0.000 0.260 405 E C 0.608 177.032 176.600 -0.293 0.000 0.980 405 E CA 0.507 56.807 56.400 -0.168 0.000 0.927 405 E CB 1.085 30.550 29.700 -0.391 0.000 0.934 405 E HN 0.794 nan 8.360 nan 0.000 0.459 406 E N 3.764 123.591 120.200 -0.621 0.000 2.219 406 E HA -0.270 3.947 4.350 -0.222 0.000 0.198 406 E C 1.851 177.962 176.600 -0.815 0.000 0.998 406 E CA 1.370 56.917 56.400 -1.423 0.000 0.818 406 E CB 0.125 29.090 29.700 -1.224 0.000 0.741 406 E HN 0.446 nan 8.360 nan 0.000 0.477 407 R N -0.682 119.538 120.500 -0.468 0.000 2.148 407 R HA -0.129 4.077 4.340 -0.222 0.000 0.227 407 R C 1.172 177.472 176.300 -0.001 0.000 1.103 407 R CA 1.845 57.799 56.100 -0.244 0.000 0.983 407 R CB -0.573 29.576 30.300 -0.252 0.000 0.874 407 R HN 0.407 nan 8.270 nan 0.000 0.451 408 H N -1.477 117.628 119.070 0.058 0.000 2.539 408 H HA 0.030 4.453 4.556 -0.222 0.000 0.267 408 H C 0.551 176.138 175.328 0.431 0.000 0.982 408 H CA -0.358 55.812 56.048 0.203 0.000 1.146 408 H CB 0.161 30.040 29.762 0.196 0.000 1.382 408 H HN 0.263 nan 8.280 nan 0.000 0.577 409 W N 1.181 122.614 121.300 0.222 0.000 2.519 409 W HA -0.128 4.399 4.660 -0.222 0.000 0.266 409 W C 1.833 178.518 176.519 0.277 0.000 1.253 409 W CA 1.045 58.535 57.345 0.242 0.000 1.274 409 W CB -0.860 28.661 29.460 0.102 0.000 1.114 409 W HN 0.309 nan 8.180 nan 0.000 0.596 410 D N -1.423 119.213 120.400 0.394 0.000 2.378 410 D HA 0.038 4.545 4.640 -0.222 0.000 0.222 410 D C 1.828 178.231 176.300 0.172 0.000 0.980 410 D CA 0.754 54.896 54.000 0.236 0.000 0.907 410 D CB -0.572 40.314 40.800 0.143 0.000 0.899 410 D HN 0.135 nan 8.370 nan 0.000 0.527 411 A N -1.219 121.723 122.820 0.202 0.000 2.235 411 A HA 0.308 4.495 4.320 -0.222 0.000 0.208 411 A C -0.004 177.346 177.584 -0.390 0.000 1.172 411 A CA 0.196 52.177 52.037 -0.093 0.000 0.786 411 A CB -0.419 18.489 19.000 -0.154 0.000 0.804 411 A HN 0.564 nan 8.150 nan 0.000 0.479 412 Y N -1.269 119.091 120.300 0.099 0.000 2.634 412 Y HA 0.666 5.083 4.550 -0.222 0.000 0.340 412 Y C -0.068 175.857 175.900 0.041 0.000 1.058 412 Y CA -1.587 56.544 58.100 0.052 0.000 1.081 412 Y CB 1.253 39.736 38.460 0.039 0.000 1.295 412 Y HN 0.173 nan 8.280 nan 0.000 0.487 413 I N -0.094 120.586 120.570 0.182 0.000 2.785 413 I HA 0.717 4.753 4.170 -0.222 0.000 0.302 413 I C -1.748 174.425 176.117 0.093 0.000 1.069 413 I CA -1.262 60.106 61.300 0.114 0.000 1.045 413 I CB 2.312 40.347 38.000 0.059 0.000 1.236 413 I HN 0.430 nan 8.210 nan 0.000 0.429 414 L N 4.938 126.216 121.223 0.091 0.000 2.280 414 L HA 0.607 4.813 4.340 -0.222 0.000 0.287 414 L C -0.748 176.231 176.870 0.181 0.000 1.023 414 L CA -0.314 54.561 54.840 0.059 0.000 0.819 414 L CB 1.382 43.390 42.059 -0.085 0.000 1.212 414 L HN 0.813 nan 8.230 nan 0.000 0.420 415 M N 4.163 123.887 119.600 0.206 0.000 2.311 415 M HA 0.381 4.728 4.480 -0.222 0.000 0.325 415 M C -0.304 176.209 176.300 0.355 0.000 1.061 415 M CA -0.564 54.878 55.300 0.237 0.000 0.957 415 M CB 1.539 34.196 32.600 0.095 0.000 1.646 415 M HN 0.723 nan 8.290 nan 0.000 0.434 416 E N 3.341 123.733 120.200 0.321 0.000 2.452 416 E HA 0.034 4.251 4.350 -0.222 0.000 0.261 416 E C -1.329 175.283 176.600 0.019 0.000 0.987 416 E CA -0.315 56.128 56.400 0.072 0.000 0.926 416 E CB 0.774 30.515 29.700 0.068 0.000 0.934 416 E HN 0.661 nan 8.360 nan 0.000 0.452 417 L N 5.988 127.168 121.223 -0.071 0.000 2.360 417 L HA 0.247 4.454 4.340 -0.222 0.000 0.276 417 L C -0.490 176.390 176.870 0.018 0.000 1.121 417 L CA 0.240 55.085 54.840 0.008 0.000 0.845 417 L CB 0.515 42.578 42.059 0.006 0.000 1.143 417 L HN 0.491 nan 8.230 nan 0.000 0.452 418 I N 5.046 125.649 120.570 0.055 0.000 2.474 418 I HA 0.152 4.189 4.170 -0.222 0.000 0.287 418 I C 0.133 176.279 176.117 0.048 0.000 1.048 418 I CA 0.026 61.361 61.300 0.058 0.000 1.383 418 I CB 0.556 38.603 38.000 0.079 0.000 1.412 418 I HN 0.609 nan 8.210 nan 0.000 0.531 419 E N 7.806 128.028 120.200 0.038 0.000 2.683 419 E HA 0.272 4.489 4.350 -0.222 0.000 0.224 419 E C -2.388 174.232 176.600 0.033 0.000 1.046 419 E CA -1.687 54.730 56.400 0.028 0.000 0.811 419 E CB 0.844 30.553 29.700 0.015 0.000 1.296 419 E HN 0.361 nan 8.360 nan 0.000 0.421 420 P HA 0.120 nan 4.420 nan 0.000 0.278 420 P C -0.318 177.002 177.300 0.033 0.000 1.266 420 P CA -0.426 62.700 63.100 0.043 0.000 0.807 420 P CB 1.281 33.012 31.700 0.051 0.000 1.094 421 E N -0.479 119.743 120.200 0.037 0.000 2.313 421 E HA 0.304 4.521 4.350 -0.222 0.000 0.272 421 E C -0.564 176.051 176.600 0.024 0.000 1.038 421 E CA -0.736 55.681 56.400 0.027 0.000 0.863 421 E CB 0.803 30.523 29.700 0.033 0.000 1.060 421 E HN 0.175 nan 8.360 nan 0.000 0.402 422 L N 2.323 123.553 121.223 0.012 0.000 2.357 422 L HA 0.243 4.450 4.340 -0.222 0.000 0.273 422 L C 0.511 177.381 176.870 0.000 0.000 1.080 422 L CA -0.611 54.234 54.840 0.008 0.000 0.803 422 L CB 0.819 42.879 42.059 0.002 0.000 1.174 422 L HN 0.656 nan 8.230 nan 0.000 0.443 423 N N 0.564 119.264 118.700 0.001 0.000 2.408 423 N HA 0.137 4.743 4.740 -0.222 0.000 0.257 423 N C 0.517 176.012 175.510 -0.026 0.000 1.064 423 N CA -0.450 52.592 53.050 -0.014 0.000 0.952 423 N CB 0.772 39.257 38.487 -0.004 0.000 1.093 423 N HN 0.720 nan 8.380 nan 0.000 0.490 424 E N 2.274 122.449 120.200 -0.042 0.000 2.474 424 E HA 0.031 4.247 4.350 -0.222 0.000 0.195 424 E C -0.293 176.268 176.600 -0.065 0.000 1.039 424 E CA 0.137 56.508 56.400 -0.049 0.000 0.881 424 E CB 0.293 29.964 29.700 -0.048 0.000 0.970 424 E HN 0.605 nan 8.360 nan 0.000 0.486 425 N N 1.488 120.141 118.700 -0.078 0.000 2.389 425 N HA 0.088 4.694 4.740 -0.222 0.000 0.260 425 N C -0.429 175.014 175.510 -0.112 0.000 1.191 425 N CA 0.003 52.984 53.050 -0.114 0.000 0.885 425 N CB 0.450 38.842 38.487 -0.157 0.000 1.162 425 N HN 0.037 nan 8.380 nan 0.000 0.512 426 N N 0.615 119.295 118.700 -0.033 0.000 2.531 426 N HA 0.545 5.152 4.740 -0.222 0.000 0.290 426 N C -1.083 174.483 175.510 0.094 0.000 1.257 426 N CA -0.373 52.717 53.050 0.067 0.000 0.863 426 N CB 2.009 40.539 38.487 0.071 0.000 1.320 426 N HN -0.089 nan 8.380 nan 0.000 0.538 427 I N 1.598 122.276 120.570 0.179 0.000 2.533 427 I HA 0.368 4.404 4.170 -0.222 0.000 0.290 427 I C -0.729 175.458 176.117 0.118 0.000 1.056 427 I CA -0.753 60.621 61.300 0.123 0.000 1.057 427 I CB 1.941 40.036 38.000 0.158 0.000 1.240 427 I HN 0.335 nan 8.210 nan 0.000 0.423 428 I N 6.487 127.129 120.570 0.119 0.000 2.359 428 I HA 0.354 4.391 4.170 -0.222 0.000 0.294 428 I C -0.592 175.725 176.117 0.335 0.000 0.987 428 I CA -0.388 61.029 61.300 0.194 0.000 1.225 428 I CB 1.495 39.567 38.000 0.119 0.000 1.366 428 I HN 0.308 nan 8.210 nan 0.000 0.466 429 L N 7.319 128.725 121.223 0.305 0.000 2.356 429 L HA 0.686 4.892 4.340 -0.222 0.000 0.277 429 L C -0.702 176.349 176.870 0.301 0.000 0.996 429 L CA -0.253 54.767 54.840 0.299 0.000 0.822 429 L CB 0.988 43.155 42.059 0.179 0.000 1.256 429 L HN 0.663 nan 8.230 nan 0.000 0.413 430 R N 3.868 124.559 120.500 0.319 0.000 2.508 430 R HA 0.281 4.487 4.340 -0.222 0.000 0.283 430 R C -0.891 175.482 176.300 0.122 0.000 1.120 430 R CA -0.314 55.876 56.100 0.149 0.000 0.958 430 R CB 0.971 31.211 30.300 -0.099 0.000 1.215 430 R HN 0.758 nan 8.270 nan 0.000 0.427 431 D N 3.010 123.450 120.400 0.067 0.000 2.800 431 D HA -0.216 4.290 4.640 -0.222 0.000 0.232 431 D C -0.222 176.121 176.300 0.073 0.000 1.137 431 D CA 1.739 55.773 54.000 0.057 0.000 0.718 431 D CB -0.901 39.920 40.800 0.037 0.000 1.084 431 D HN 0.929 nan 8.370 nan 0.000 0.432 432 N N -1.449 117.299 118.700 0.080 0.000 2.878 432 N HA -0.244 4.363 4.740 -0.222 0.000 0.247 432 N C -1.128 174.420 175.510 0.063 0.000 1.021 432 N CA 1.811 54.900 53.050 0.066 0.000 0.873 432 N CB -0.411 38.103 38.487 0.045 0.000 1.128 432 N HN 0.628 nan 8.380 nan 0.000 0.571 433 K N 0.134 120.595 120.400 0.101 0.000 2.270 433 K HA 0.543 4.730 4.320 -0.222 0.000 0.255 433 K C -0.327 176.313 176.600 0.067 0.000 0.936 433 K CA -0.504 55.806 56.287 0.037 0.000 0.809 433 K CB 1.652 34.171 32.500 0.033 0.000 1.131 433 K HN 0.266 nan 8.250 nan 0.000 0.427 434 S N 1.434 117.077 115.700 -0.095 0.000 2.593 434 S HA 0.567 4.903 4.470 -0.222 0.000 0.297 434 S C -0.992 173.442 174.600 -0.277 0.000 1.112 434 S CA -0.752 57.444 58.200 -0.007 0.000 1.043 434 S CB 0.549 63.756 63.200 0.013 0.000 1.054 434 S HN 0.447 nan 8.310 nan 0.000 0.516 435 Y N -0.505 119.786 120.300 -0.016 0.000 2.386 435 Y HA 0.441 4.859 4.550 -0.219 0.000 0.334 435 Y C 0.247 176.009 175.900 -0.230 0.000 1.002 435 Y CA -0.983 57.017 58.100 -0.167 0.000 1.068 435 Y CB 1.741 39.985 38.460 -0.361 0.000 1.203 435 Y HN 0.741 nan 8.280 nan 0.000 0.443 436 N N 3.592 122.237 118.700 -0.091 0.000 2.955 436 N HA 0.317 4.923 4.740 -0.222 0.000 0.242 436 N C -1.208 174.209 175.510 -0.153 0.000 1.123 436 N CA -0.280 52.714 53.050 -0.094 0.000 0.949 436 N CB 0.088 38.540 38.487 -0.058 0.000 1.214 436 N HN 0.593 nan 8.380 nan 0.000 0.504 437 E N 1.131 121.179 120.200 -0.253 0.000 2.336 437 E HA 0.513 4.730 4.350 -0.222 0.000 0.267 437 E C -2.694 173.818 176.600 -0.146 0.000 0.906 437 E CA -2.128 54.119 56.400 -0.255 0.000 0.781 437 E CB 1.663 31.037 29.700 -0.543 0.000 1.261 437 E HN 0.380 nan 8.360 nan 0.000 0.436 438 P HA 0.217 nan 4.420 nan 0.000 0.271 438 P C -0.408 176.901 177.300 0.015 0.000 1.216 438 P CA 0.026 63.113 63.100 -0.023 0.000 0.776 438 P CB 0.333 32.028 31.700 -0.009 0.000 0.881 439 I N -0.073 120.507 120.570 0.017 0.000 2.892 439 I HA 0.636 4.673 4.170 -0.222 0.000 0.306 439 I C -0.740 175.394 176.117 0.028 0.000 1.078 439 I CA -1.473 59.852 61.300 0.042 0.000 1.032 439 I CB 2.374 40.401 38.000 0.044 0.000 1.229 439 I HN 0.194 nan 8.210 nan 0.000 0.435 440 I N 2.747 123.333 120.570 0.025 0.000 2.412 440 I HA 0.509 4.545 4.170 -0.222 0.000 0.296 440 I C -0.713 175.421 176.117 0.029 0.000 0.987 440 I CA -0.053 61.260 61.300 0.022 0.000 1.180 440 I CB 1.691 39.695 38.000 0.008 0.000 1.340 440 I HN 0.707 nan 8.210 nan 0.000 0.455 441 S N 6.157 121.882 115.700 0.041 0.000 2.519 441 S HA 0.341 4.677 4.470 -0.222 0.000 0.309 441 S C -0.832 173.805 174.600 0.063 0.000 1.100 441 S CA -0.577 57.653 58.200 0.050 0.000 1.059 441 S CB 1.368 64.603 63.200 0.058 0.000 1.008 441 S HN 0.668 nan 8.310 nan 0.000 0.478 442 E N 2.779 123.013 120.200 0.057 0.000 2.113 442 E HA 0.353 4.569 4.350 -0.222 0.000 0.273 442 E C -1.089 175.560 176.600 0.082 0.000 0.924 442 E CA -0.783 55.657 56.400 0.066 0.000 0.764 442 E CB 0.657 30.378 29.700 0.035 0.000 1.104 442 E HN 0.455 nan 8.360 nan 0.000 0.406 443 L N 4.647 125.953 121.223 0.138 0.000 2.361 443 L HA 0.440 4.646 4.340 -0.222 0.000 0.278 443 L C -0.047 176.919 176.870 0.160 0.000 1.113 443 L CA 0.404 55.353 54.840 0.181 0.000 0.849 443 L CB 0.899 43.105 42.059 0.246 0.000 1.155 443 L HN 0.542 nan 8.230 nan 0.000 0.452 444 G N 6.280 115.123 108.800 0.072 0.000 2.415 444 G HA2 0.624 4.451 3.960 -0.222 0.000 0.327 444 G HA3 0.624 4.451 3.960 -0.222 0.000 0.327 444 G C -1.058 173.799 174.900 -0.072 0.000 1.182 444 G CA -0.502 44.550 45.100 -0.079 0.000 0.924 444 G HN 0.461 nan 8.290 nan 0.000 0.470 445 I N 2.061 122.592 120.570 -0.064 0.000 2.410 445 I HA 0.277 4.313 4.170 -0.222 0.000 0.286 445 I C -0.721 175.367 176.117 -0.048 0.000 1.009 445 I CA -1.272 60.075 61.300 0.079 0.000 1.111 445 I CB 1.166 39.346 38.000 0.300 0.000 1.262 445 I HN 0.422 nan 8.210 nan 0.000 0.443 446 Y N 3.813 124.158 120.300 0.075 0.000 2.301 446 Y HA 0.623 5.063 4.550 -0.183 0.000 0.328 446 Y C 1.181 177.092 175.900 0.019 0.000 1.242 446 Y CA -0.118 57.981 58.100 -0.001 0.000 1.323 446 Y CB 1.464 39.881 38.460 -0.071 0.000 1.266 446 Y HN 0.643 nan 8.280 nan 0.000 0.527 447 G N 0.198 109.129 108.800 0.220 0.000 2.759 447 G HA2 0.528 4.355 3.960 -0.222 0.000 0.297 447 G HA3 0.528 4.355 3.960 -0.222 0.000 0.297 447 G C -2.134 172.818 174.900 0.086 0.000 1.434 447 G CA -0.642 44.577 45.100 0.198 0.000 0.980 447 G HN 0.729 nan 8.290 nan 0.000 0.531 448 C N 0.730 120.037 119.300 0.013 0.000 2.482 448 C HA 0.819 5.146 4.460 -0.222 0.000 0.317 448 C C -0.154 174.809 174.990 -0.046 0.000 1.197 448 C CA -0.720 58.232 59.018 -0.110 0.000 1.432 448 C CB 0.867 28.521 27.740 -0.143 0.000 2.062 448 C HN 0.734 nan 8.230 nan 0.000 0.471 449 V N 5.121 124.987 119.914 -0.080 0.000 2.623 449 V HA 0.702 4.688 4.120 -0.222 0.000 0.304 449 V C -1.277 174.939 176.094 0.203 0.000 1.054 449 V CA -0.415 61.940 62.300 0.091 0.000 0.882 449 V CB 1.672 33.591 31.823 0.160 0.000 1.002 449 V HN 0.769 nan 8.190 nan 0.000 0.424 450 L N 8.932 130.275 121.223 0.201 0.000 2.282 450 L HA 0.887 5.094 4.340 -0.222 0.000 0.288 450 L C -0.820 176.251 176.870 0.334 0.000 1.033 450 L CA 0.093 55.046 54.840 0.188 0.000 0.807 450 L CB 1.020 43.145 42.059 0.110 0.000 1.209 450 L HN 0.691 nan 8.230 nan 0.000 0.423 451 F N 2.737 122.726 119.950 0.065 0.000 2.686 451 F HA 0.747 5.135 4.527 -0.231 0.000 0.311 451 F C -0.749 174.958 175.800 -0.155 0.000 1.128 451 F CA -0.964 57.028 58.000 -0.013 0.000 0.946 451 F CB 0.923 39.937 39.000 0.023 0.000 1.336 451 F HN 0.543 nan 8.300 nan 0.000 0.457 452 N N -1.113 117.470 118.700 -0.194 0.000 3.312 452 N HA 0.316 4.923 4.740 -0.222 0.000 0.361 452 N C -0.055 175.412 175.510 -0.071 0.000 1.476 452 N CA -0.279 52.519 53.050 -0.419 0.000 0.669 452 N CB -0.233 37.687 38.487 -0.944 0.000 1.629 452 N HN 0.525 nan 8.380 nan 0.000 0.612 453 D N -0.995 119.349 120.400 -0.094 0.000 2.218 453 D HA -0.092 4.415 4.640 -0.222 0.000 0.204 453 D C 0.583 176.918 176.300 0.058 0.000 0.976 453 D CA 1.286 55.300 54.000 0.024 0.000 0.853 453 D CB 0.270 41.075 40.800 0.008 0.000 0.939 453 D HN 0.670 nan 8.370 nan 0.000 0.481 454 E N -1.271 118.941 120.200 0.020 0.000 2.550 454 E HA 0.028 4.244 4.350 -0.222 0.000 0.206 454 E C -0.043 176.580 176.600 0.038 0.000 0.845 454 E CA -0.117 56.305 56.400 0.037 0.000 1.461 454 E CB 0.690 30.402 29.700 0.020 0.000 1.452 454 E HN -0.011 nan 8.360 nan 0.000 0.780 455 Q N 0.221 120.027 119.800 0.011 0.000 2.205 455 Q HA 0.427 4.634 4.340 -0.222 0.000 0.249 455 Q C -0.989 175.063 176.000 0.086 0.000 0.948 455 Q CA -0.374 55.449 55.803 0.033 0.000 0.895 455 Q CB 2.324 31.072 28.738 0.017 0.000 1.249 455 Q HN -0.093 nan 8.270 nan 0.000 0.458 456 V N 2.834 122.810 119.914 0.104 0.000 2.378 456 V HA 0.167 4.154 4.120 -0.222 0.000 0.288 456 V C 0.137 176.316 176.094 0.143 0.000 1.016 456 V CA -0.384 62.008 62.300 0.153 0.000 0.840 456 V CB 1.348 33.232 31.823 0.101 0.000 0.994 456 V HN 0.736 nan 8.190 nan 0.000 0.431 457 L N 2.650 123.983 121.223 0.182 0.000 2.307 457 L HA 0.286 4.493 4.340 -0.222 0.000 0.211 457 L C 0.925 177.869 176.870 0.124 0.000 1.099 457 L CA 1.186 56.127 54.840 0.168 0.000 0.816 457 L CB 0.439 42.645 42.059 0.245 0.000 0.952 457 L HN 0.702 nan 8.230 nan 0.000 0.455 458 S N 0.068 115.842 115.700 0.123 0.000 2.543 458 S HA 0.512 4.849 4.470 -0.222 0.000 0.271 458 S C -1.242 173.416 174.600 0.097 0.000 1.148 458 S CA -0.621 57.632 58.200 0.087 0.000 0.914 458 S CB 1.481 64.712 63.200 0.051 0.000 1.096 458 S HN 0.252 nan 8.310 nan 0.000 0.471 459 N N 3.024 121.779 118.700 0.091 0.000 2.572 459 N HA 0.375 4.982 4.740 -0.222 0.000 0.287 459 N C -1.788 173.790 175.510 0.114 0.000 1.136 459 N CA -0.299 52.815 53.050 0.108 0.000 0.900 459 N CB 1.327 39.882 38.487 0.113 0.000 1.484 459 N HN 0.661 nan 8.380 nan 0.000 0.526 460 E N 1.585 121.856 120.200 0.119 0.000 2.408 460 E HA 0.272 4.489 4.350 -0.222 0.000 0.275 460 E C -1.065 175.652 176.600 0.196 0.000 0.935 460 E CA -0.728 55.760 56.400 0.146 0.000 0.775 460 E CB 1.763 31.519 29.700 0.093 0.000 1.277 460 E HN 0.438 nan 8.360 nan 0.000 0.455 461 F N 1.117 121.129 119.950 0.104 0.000 2.443 461 F HA 0.195 4.588 4.527 -0.223 0.000 0.353 461 F C 0.288 176.162 175.800 0.123 0.000 1.101 461 F CA 0.195 58.267 58.000 0.120 0.000 1.226 461 F CB 0.733 39.790 39.000 0.094 0.000 1.140 461 F HN 0.178 nan 8.300 nan 0.000 0.557 462 S N 3.966 119.296 115.700 -0.618 0.000 2.843 462 S HA 0.569 4.905 4.470 -0.222 0.000 0.249 462 S C 0.141 174.419 174.600 -0.537 0.000 1.047 462 S CA -0.065 57.844 58.200 -0.485 0.000 1.042 462 S CB -0.232 62.858 63.200 -0.183 0.000 0.936 462 S HN 1.378 nan 8.310 nan 0.000 0.531 463 G N 1.699 109.790 108.800 -1.182 0.000 2.422 463 G HA2 0.131 3.958 3.960 -0.222 0.000 0.607 463 G HA3 0.131 3.958 3.960 -0.222 0.000 0.607 463 G C -0.615 174.417 174.900 0.221 0.000 1.270 463 G CA -0.433 44.481 45.100 -0.310 0.000 0.992 463 G HN 0.918 nan 8.290 nan 0.000 0.499 464 S N -1.557 114.399 115.700 0.427 0.000 2.697 464 S HA 0.938 5.274 4.470 -0.222 0.000 0.289 464 S C -1.060 173.766 174.600 0.377 0.000 1.149 464 S CA -0.161 58.291 58.200 0.420 0.000 0.850 464 S CB 2.406 65.948 63.200 0.569 0.000 1.151 464 S HN 2.353 nan 8.310 nan 0.000 0.491 465 L N 0.009 121.370 121.223 0.230 0.000 2.556 465 L HA 0.837 5.043 4.340 -0.222 0.000 0.257 465 L C -2.438 174.504 176.870 0.121 0.000 0.955 465 L CA -0.609 54.337 54.840 0.177 0.000 0.850 465 L CB 2.037 44.154 42.059 0.096 0.000 1.398 465 L HN 0.894 nan 8.230 nan 0.000 0.412 466 L N 3.603 124.877 121.223 0.085 0.000 2.457 466 L HA 0.626 4.832 4.340 -0.222 0.000 0.266 466 L C -1.138 175.742 176.870 0.017 0.000 0.979 466 L CA -0.118 54.762 54.840 0.067 0.000 0.857 466 L CB 1.357 43.464 42.059 0.081 0.000 1.213 466 L HN 0.634 nan 8.230 nan 0.000 0.418 467 R N 3.103 123.606 120.500 0.007 0.000 2.294 467 R HA 0.734 4.941 4.340 -0.222 0.000 0.319 467 R C -0.657 175.645 176.300 0.003 0.000 0.984 467 R CA -0.529 55.554 56.100 -0.028 0.000 0.861 467 R CB 1.710 31.993 30.300 -0.029 0.000 1.104 467 R HN 0.577 nan 8.270 nan 0.000 0.451 468 S N 2.220 117.923 115.700 0.004 0.000 2.568 468 S HA 0.580 4.917 4.470 -0.222 0.000 0.302 468 S C -0.796 173.806 174.600 0.003 0.000 1.082 468 S CA -0.969 57.242 58.200 0.019 0.000 1.009 468 S CB 1.875 65.098 63.200 0.039 0.000 1.069 468 S HN 0.621 nan 8.310 nan 0.000 0.500 469 K N 0.404 120.800 120.400 -0.006 0.000 2.555 469 K HA 0.688 4.875 4.320 -0.222 0.000 0.279 469 K C -1.566 175.024 176.600 -0.017 0.000 0.986 469 K CA -0.983 55.261 56.287 -0.073 0.000 0.880 469 K CB 1.243 33.665 32.500 -0.129 0.000 1.474 469 K HN 0.569 nan 8.250 nan 0.000 0.433 470 F N -0.915 118.884 119.950 -0.251 0.000 2.593 470 F HA 0.649 5.042 4.527 -0.222 0.000 0.320 470 F C -1.108 174.580 175.800 -0.187 0.000 1.060 470 F CA -0.875 57.004 58.000 -0.202 0.000 0.940 470 F CB 2.065 40.933 39.000 -0.219 0.000 1.268 470 F HN 0.549 nan 8.300 nan 0.000 0.475 471 N N 1.089 119.762 118.700 -0.046 0.000 2.533 471 N HA 0.401 5.007 4.740 -0.222 0.000 0.289 471 N C -1.858 173.673 175.510 0.035 0.000 1.103 471 N CA 0.133 53.106 53.050 -0.127 0.000 0.877 471 N CB 2.178 40.585 38.487 -0.134 0.000 1.419 471 N HN 1.021 nan 8.380 nan 0.000 0.517 472 T N 0.671 115.277 114.554 0.087 0.000 2.843 472 T HA 0.567 4.783 4.350 -0.222 0.000 0.302 472 T C -1.395 173.363 174.700 0.096 0.000 1.232 472 T CA -0.260 61.912 62.100 0.120 0.000 1.009 472 T CB 0.906 69.897 68.868 0.205 0.000 1.254 472 T HN 0.215 nan 8.240 nan 0.000 0.504 473 S N 3.127 118.872 115.700 0.075 0.000 2.566 473 S HA 0.697 5.033 4.470 -0.222 0.000 0.324 473 S C -0.479 174.165 174.600 0.074 0.000 1.081 473 S CA -0.798 57.441 58.200 0.066 0.000 1.105 473 S CB 0.488 63.713 63.200 0.042 0.000 0.981 473 S HN 0.838 nan 8.310 nan 0.000 0.464 474 N N 0.855 119.610 118.700 0.091 0.000 3.449 474 N HA 0.191 4.797 4.740 -0.222 0.000 0.312 474 N C 0.471 176.032 175.510 0.086 0.000 1.582 474 N CA -0.907 52.193 53.050 0.083 0.000 0.850 474 N CB 0.038 38.582 38.487 0.095 0.000 1.822 474 N HN 0.234 nan 8.380 nan 0.000 0.577 475 E N -0.713 119.532 120.200 0.076 0.000 2.333 475 E HA -0.113 4.104 4.350 -0.222 0.000 0.200 475 E C 1.216 177.874 176.600 0.096 0.000 1.010 475 E CA 1.687 58.130 56.400 0.070 0.000 0.841 475 E CB -0.943 28.788 29.700 0.051 0.000 0.757 475 E HN 0.743 nan 8.360 nan 0.000 0.508 476 G N 0.576 109.461 108.800 0.141 0.000 2.712 476 G HA2 0.333 4.160 3.960 -0.222 0.000 0.212 476 G HA3 0.333 4.160 3.960 -0.222 0.000 0.212 476 G C 0.644 175.635 174.900 0.151 0.000 1.142 476 G CA 0.321 45.532 45.100 0.185 0.000 0.789 476 G HN 0.687 nan 8.290 nan 0.000 0.535 477 G N -1.778 107.093 108.800 0.118 0.000 2.347 477 G HA2 0.197 4.023 3.960 -0.222 0.000 0.477 477 G HA3 0.197 4.023 3.960 -0.222 0.000 0.477 477 G C -1.159 173.788 174.900 0.077 0.000 1.349 477 G CA -0.483 44.670 45.100 0.088 0.000 1.000 477 G HN 0.533 nan 8.290 nan 0.000 0.605 478 V N 1.153 121.101 119.914 0.055 0.000 2.546 478 V HA 0.532 4.518 4.120 -0.222 0.000 0.284 478 V C 1.559 177.671 176.094 0.031 0.000 1.050 478 V CA 1.407 63.733 62.300 0.042 0.000 0.981 478 V CB 0.818 32.660 31.823 0.033 0.000 0.990 478 V HN 2.780 nan 8.190 nan 0.000 0.474 479 A N 3.430 126.261 122.820 0.019 0.000 2.822 479 A HA -0.082 4.105 4.320 -0.222 0.000 0.287 479 A C 0.754 178.323 177.584 -0.025 0.000 1.479 479 A CA 0.734 52.764 52.037 -0.011 0.000 0.779 479 A CB -1.716 17.275 19.000 -0.014 0.000 1.022 479 A HN 1.907 nan 8.150 nan 0.000 0.532 480 A N -0.813 122.014 122.820 0.012 0.000 2.313 480 A HA 0.874 5.061 4.320 -0.222 0.000 0.261 480 A C 1.386 178.850 177.584 -0.200 0.000 1.090 480 A CA 0.691 52.735 52.037 0.012 0.000 0.807 480 A CB 0.541 19.632 19.000 0.150 0.000 1.055 480 A HN 2.834 nan 8.150 nan 0.000 0.492 481 G N -1.198 107.357 108.800 -0.408 0.000 2.317 481 G HA2 0.556 4.382 3.960 -0.222 0.000 0.445 481 G HA3 0.556 4.382 3.960 -0.222 0.000 0.445 481 G C -0.938 173.531 174.900 -0.718 0.000 1.486 481 G CA -0.264 44.014 45.100 -1.371 0.000 0.991 481 G HN 2.123 nan 8.290 nan 0.000 0.660 482 F N -1.577 117.878 119.950 -0.826 0.000 2.817 482 F HA 0.882 5.272 4.527 -0.227 0.000 0.317 482 F C 0.340 175.983 175.800 -0.260 0.000 1.168 482 F CA -0.840 56.938 58.000 -0.371 0.000 0.911 482 F CB 0.626 39.480 39.000 -0.244 0.000 1.337 482 F HN 1.151 nan 8.300 nan 0.000 0.464 483 G N -0.856 108.018 108.800 0.123 0.000 2.462 483 G HA2 0.653 4.480 3.960 -0.222 0.000 0.319 483 G HA3 0.653 4.480 3.960 -0.222 0.000 0.319 483 G C -1.116 173.893 174.900 0.182 0.000 1.171 483 G CA -0.340 44.799 45.100 0.066 0.000 0.920 483 G HN 1.612 nan 8.290 nan 0.000 0.499 484 C N -0.745 118.600 119.300 0.075 0.000 3.321 484 C HA 0.746 5.072 4.460 -0.222 0.000 0.329 484 C C -0.541 174.416 174.990 -0.055 0.000 1.394 484 C CA -1.311 57.748 59.018 0.067 0.000 1.291 484 C CB 0.348 28.190 27.740 0.170 0.000 1.606 484 C HN 0.690 nan 8.230 nan 0.000 0.463 485 L N 2.149 123.317 121.223 -0.093 0.000 2.305 485 L HA 0.522 4.729 4.340 -0.222 0.000 0.281 485 L C 0.004 176.860 176.870 -0.023 0.000 1.085 485 L CA 0.604 55.361 54.840 -0.137 0.000 0.813 485 L CB 0.811 42.759 42.059 -0.185 0.000 1.157 485 L HN 0.759 nan 8.230 nan 0.000 0.436 486 D N 0.740 121.142 120.400 0.003 0.000 2.608 486 D HA 0.631 5.137 4.640 -0.222 0.000 0.253 486 D C -0.864 175.483 176.300 0.077 0.000 1.084 486 D CA -0.173 53.882 54.000 0.091 0.000 1.106 486 D CB 2.295 43.143 40.800 0.081 0.000 1.352 486 D HN 0.487 nan 8.370 nan 0.000 0.594 487 S N -0.624 115.170 115.700 0.157 0.000 2.697 487 S HA 0.720 5.057 4.470 -0.222 0.000 0.289 487 S C -0.790 173.845 174.600 0.059 0.000 1.149 487 S CA -0.792 57.473 58.200 0.109 0.000 0.850 487 S CB 0.881 64.178 63.200 0.161 0.000 1.151 487 S HN 0.365 nan 8.310 nan 0.000 0.491 488 I N 1.423 121.988 120.570 -0.009 0.000 2.377 488 I HA 0.520 4.557 4.170 -0.222 0.000 0.293 488 I C -1.065 174.964 176.117 -0.147 0.000 0.987 488 I CA -0.806 60.446 61.300 -0.081 0.000 1.185 488 I CB 1.699 39.602 38.000 -0.162 0.000 1.341 488 I HN 0.623 nan 8.210 nan 0.000 0.455 489 I N 7.591 128.078 120.570 -0.139 0.000 2.382 489 I HA 0.397 4.434 4.170 -0.222 0.000 0.286 489 I C -0.714 175.380 176.117 -0.040 0.000 1.002 489 I CA -0.221 60.983 61.300 -0.161 0.000 1.135 489 I CB 0.858 38.685 38.000 -0.289 0.000 1.288 489 I HN 0.396 nan 8.210 nan 0.000 0.448 490 L N 8.452 129.635 121.223 -0.067 0.000 2.395 490 L HA 0.431 4.637 4.340 -0.222 0.000 0.269 490 L C -0.564 176.369 176.870 0.106 0.000 1.133 490 L CA -0.376 54.443 54.840 -0.036 0.000 0.812 490 L CB 0.643 42.627 42.059 -0.126 0.000 1.125 490 L HN 0.709 nan 8.230 nan 0.000 0.452 491 Y N 0.000 120.283 120.300 -0.029 0.000 2.660 491 Y HA 0.000 4.416 4.550 -0.223 0.000 0.201 491 Y CA 0.000 58.093 58.100 -0.011 0.000 1.940 491 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 491 Y HN 0.000 nan 8.280 nan 0.000 0.758