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 1gq7_1_D DATA FIRST_RESID 9 DATA SEQUENCE SPRYAQIPTF MRLPHDPQPR GYDVVVIGAP YDGGTSYRPG ARFGPQAIRS DATA SEQUENCE ESGLIHGVGI DRGPGTFDLI NCVDAGDINL TPFDMNIAID TAQSHLSGLL DATA SEQUENCE KANAAFLMIG GDHSLTVAAL RAVAEQHGPL AVVHLDAHSD TNPAFYGGRY DATA SEQUENCE HHGTPFRHGI DEKLIDPAAM VQIGIRGHNP KPDSLDYARG HGVRVVTADE DATA SEQUENCE FGELGVGGTA DLIREKVGQR PVYVSVDIDV VDPAFAPGTG TPAPGGLLSR DATA SEQUENCE EVLALLRCVG DLKPVGFDVM EVSPLYDHGG ITSILATEIG AELLYQYARA DATA SEQUENCE H 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.504 174.600 -0.160 0.000 1.055 9 S CA 0.000 58.141 58.200 -0.099 0.000 1.107 9 S CB 0.000 63.154 63.200 -0.077 0.000 0.593 10 P HA 0.193 nan 4.420 nan 0.000 0.265 10 P C 0.207 177.221 177.300 -0.477 0.000 1.187 10 P CA -0.175 62.621 63.100 -0.507 0.000 0.766 10 P CB 0.696 31.805 31.700 -0.985 0.000 0.820 11 R N 1.168 121.463 120.500 -0.343 0.000 2.280 11 R HA -0.070 4.270 4.340 -0.000 0.000 0.207 11 R C 1.366 177.606 176.300 -0.100 0.000 1.043 11 R CA 1.011 57.026 56.100 -0.141 0.000 1.006 11 R CB -0.444 29.862 30.300 0.010 0.000 0.885 11 R HN 0.659 nan 8.270 nan 0.000 0.467 12 Y N -2.313 117.995 120.300 0.013 0.000 2.457 12 Y HA 0.503 5.053 4.550 -0.000 0.000 0.263 12 Y C 0.463 176.365 175.900 0.003 0.000 1.164 12 Y CA -1.160 56.943 58.100 0.005 0.000 1.274 12 Y CB -0.110 38.352 38.460 0.003 0.000 1.097 12 Y HN -0.163 nan 8.280 nan 0.000 0.523 13 A N 0.737 123.451 122.820 -0.177 0.000 2.293 13 A HA 0.712 5.032 4.320 -0.000 0.000 0.302 13 A C -0.486 177.077 177.584 -0.035 0.000 1.119 13 A CA -0.488 51.506 52.037 -0.071 0.000 0.823 13 A CB 0.499 19.400 19.000 -0.165 0.000 1.097 13 A HN 0.346 nan 8.150 nan 0.000 0.491 14 Q N -0.619 119.178 119.800 -0.004 0.000 3.236 14 Q HA -0.128 4.212 4.340 -0.000 0.000 0.024 14 Q C -0.501 175.500 176.000 0.003 0.000 1.713 14 Q CA 0.221 56.022 55.803 -0.004 0.000 0.236 14 Q CB -0.846 27.882 28.738 -0.017 0.000 0.735 14 Q HN 0.783 nan 8.270 nan 0.000 0.322 15 I N 3.013 123.581 120.570 -0.003 0.000 2.741 15 I HA 0.019 4.189 4.170 -0.000 0.000 0.288 15 I C -1.175 174.932 176.117 -0.017 0.000 1.192 15 I CA -0.857 60.435 61.300 -0.014 0.000 1.426 15 I CB -0.884 37.096 38.000 -0.033 0.000 1.367 15 I HN 0.400 nan 8.210 nan 0.000 0.563 16 P HA 0.166 nan 4.420 nan 0.000 0.276 16 P C -0.388 176.908 177.300 -0.006 0.000 1.243 16 P CA -0.059 63.042 63.100 0.001 0.000 0.768 16 P CB 0.645 32.357 31.700 0.020 0.000 0.856 17 T N -0.094 114.465 114.554 0.009 0.000 2.916 17 T HA 0.424 4.774 4.350 -0.000 0.000 0.292 17 T C -0.298 174.459 174.700 0.094 0.000 1.064 17 T CA -0.900 61.224 62.100 0.040 0.000 1.011 17 T CB 0.869 69.756 68.868 0.030 0.000 1.152 17 T HN 0.151 nan 8.240 nan 0.000 0.510 18 F N 3.204 123.160 119.950 0.009 0.000 2.557 18 F HA 0.267 4.794 4.527 -0.000 0.000 0.384 18 F C 1.432 177.268 175.800 0.060 0.000 1.057 18 F CA -0.213 57.809 58.000 0.036 0.000 1.169 18 F CB -0.603 38.423 39.000 0.043 0.000 1.070 18 F HN 0.769 nan 8.300 nan 0.000 0.554 19 M N 5.359 124.660 119.600 -0.498 0.000 2.682 19 M HA -0.384 4.096 4.480 -0.000 0.000 0.196 19 M C 0.747 177.018 176.300 -0.048 0.000 0.542 19 M CA 1.059 56.188 55.300 -0.286 0.000 0.593 19 M CB -1.350 31.105 32.600 -0.241 0.000 2.183 19 M HN 0.779 nan 8.290 nan 0.000 0.663 20 R N -1.960 118.515 120.500 -0.043 0.000 3.758 20 R HA -0.173 4.167 4.340 -0.000 0.000 0.299 20 R C -0.191 176.082 176.300 -0.045 0.000 1.182 20 R CA 0.762 56.853 56.100 -0.016 0.000 0.809 20 R CB -2.080 28.224 30.300 0.007 0.000 1.249 20 R HN 0.555 nan 8.270 nan 0.000 0.497 21 L N 0.637 121.813 121.223 -0.078 0.000 2.472 21 L HA 0.224 4.564 4.340 -0.000 0.000 0.260 21 L C -1.509 175.321 176.870 -0.067 0.000 1.209 21 L CA -1.683 53.056 54.840 -0.170 0.000 0.817 21 L CB 0.153 42.093 42.059 -0.198 0.000 1.106 21 L HN -0.190 nan 8.230 nan 0.000 0.479 22 P HA 0.043 nan 4.420 nan 0.000 0.270 22 P C -1.283 176.039 177.300 0.037 0.000 1.223 22 P CA -0.008 63.091 63.100 -0.001 0.000 0.785 22 P CB 0.409 32.112 31.700 0.006 0.000 0.923 23 H N 1.282 120.329 119.070 -0.039 0.000 2.457 23 H HA 0.535 5.091 4.556 -0.000 0.000 0.335 23 H C -1.145 174.162 175.328 -0.035 0.000 1.115 23 H CA -0.232 55.793 56.048 -0.038 0.000 1.219 23 H CB 0.684 30.437 29.762 -0.015 0.000 1.471 23 H HN 0.148 nan 8.280 nan 0.000 0.491 24 D N 6.204 126.250 120.400 -0.590 0.000 2.312 24 D HA 0.100 4.740 4.640 -0.000 0.000 0.229 24 D C -2.229 173.822 176.300 -0.415 0.000 1.337 24 D CA -1.436 52.294 54.000 -0.450 0.000 0.964 24 D CB 1.798 42.474 40.800 -0.207 0.000 1.456 24 D HN 0.382 nan 8.370 nan 0.000 0.547 25 P HA -0.083 nan 4.420 nan 0.000 0.222 25 P C 0.388 177.643 177.300 -0.075 0.000 1.147 25 P CA 1.062 64.062 63.100 -0.167 0.000 0.790 25 P CB 0.335 31.978 31.700 -0.094 0.000 0.780 26 Q N 0.706 120.455 119.800 -0.085 0.000 2.943 26 Q HA 0.391 4.731 4.340 -0.000 0.000 0.327 26 Q C -2.483 173.512 176.000 -0.008 0.000 0.937 26 Q CA -1.861 53.916 55.803 -0.044 0.000 0.914 26 Q CB -0.175 28.539 28.738 -0.039 0.000 1.339 26 Q HN 0.315 nan 8.270 nan 0.000 0.417 27 P HA 0.573 nan 4.420 nan 0.000 0.268 27 P C -0.292 177.118 177.300 0.183 0.000 1.205 27 P CA 0.334 63.484 63.100 0.084 0.000 0.771 27 P CB 0.908 32.549 31.700 -0.099 0.000 0.858 28 R N 0.466 121.153 120.500 0.310 0.000 2.522 28 R HA 0.598 4.938 4.340 -0.000 0.000 0.283 28 R C 0.661 177.015 176.300 0.089 0.000 1.074 28 R CA -0.134 56.067 56.100 0.168 0.000 0.925 28 R CB 0.372 30.715 30.300 0.072 0.000 1.205 28 R HN 0.840 nan 8.270 nan 0.000 0.436 29 G N 0.145 108.978 108.800 0.056 0.000 2.175 29 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.244 29 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.244 29 G C -0.112 174.710 174.900 -0.129 0.000 0.982 29 G CA 0.466 45.521 45.100 -0.075 0.000 0.641 29 G HN 0.916 nan 8.290 nan 0.000 0.527 30 Y N 0.736 121.053 120.300 0.029 0.000 2.374 30 Y HA 0.485 5.035 4.550 -0.000 0.000 0.322 30 Y C 1.537 177.465 175.900 0.047 0.000 1.275 30 Y CA -0.331 57.792 58.100 0.039 0.000 1.307 30 Y CB 0.649 39.130 38.460 0.035 0.000 1.282 30 Y HN -0.016 nan 8.280 nan 0.000 0.509 31 D N 0.060 120.600 120.400 0.233 0.000 2.120 31 D HA 0.015 4.655 4.640 -0.000 0.000 0.202 31 D C -0.409 175.911 176.300 0.033 0.000 0.972 31 D CA 1.400 55.500 54.000 0.166 0.000 0.837 31 D CB 0.275 41.218 40.800 0.239 0.000 0.989 31 D HN 0.140 nan 8.370 nan 0.000 0.469 32 V N 1.604 121.541 119.914 0.038 0.000 2.623 32 V HA 0.274 4.393 4.120 -0.000 0.000 0.304 32 V C -0.200 175.924 176.094 0.050 0.000 1.054 32 V CA -0.824 61.450 62.300 -0.044 0.000 0.882 32 V CB 2.668 34.410 31.823 -0.134 0.000 1.002 32 V HN -0.225 nan 8.190 nan 0.000 0.424 33 V N 5.016 124.970 119.914 0.067 0.000 2.435 33 V HA 0.438 4.557 4.120 -0.000 0.000 0.290 33 V C -0.020 176.113 176.094 0.064 0.000 1.030 33 V CA -0.670 61.647 62.300 0.028 0.000 0.881 33 V CB 1.935 33.786 31.823 0.047 0.000 0.983 33 V HN 0.628 nan 8.190 nan 0.000 0.445 34 V N 6.429 126.346 119.914 0.004 0.000 2.406 34 V HA 0.432 4.552 4.120 -0.000 0.000 0.272 34 V C -0.192 175.868 176.094 -0.057 0.000 1.043 34 V CA -0.213 62.061 62.300 -0.044 0.000 0.915 34 V CB 1.200 32.971 31.823 -0.087 0.000 0.988 34 V HN 0.696 nan 8.190 nan 0.000 0.466 35 I N 4.306 124.825 120.570 -0.085 0.000 2.498 35 I HA 0.797 4.967 4.170 -0.000 0.000 0.290 35 I C 0.482 176.503 176.117 -0.159 0.000 1.032 35 I CA 0.044 61.263 61.300 -0.134 0.000 1.073 35 I CB 1.771 39.644 38.000 -0.212 0.000 1.251 35 I HN 0.619 nan 8.210 nan 0.000 0.426 36 G N 5.429 114.143 108.800 -0.144 0.000 2.377 36 G HA2 0.637 4.597 3.960 -0.000 0.000 0.299 36 G HA3 0.637 4.597 3.960 -0.000 0.000 0.299 36 G C -0.935 173.871 174.900 -0.157 0.000 1.150 36 G CA -0.334 44.693 45.100 -0.121 0.000 0.847 36 G HN 0.957 nan 8.290 nan 0.000 0.501 37 A N 3.703 126.453 122.820 -0.117 0.000 2.978 37 A HA 0.619 4.939 4.320 -0.000 0.000 0.341 37 A C -2.310 175.246 177.584 -0.046 0.000 1.105 37 A CA -1.297 50.672 52.037 -0.113 0.000 0.819 37 A CB 1.110 20.046 19.000 -0.107 0.000 1.080 37 A HN 0.462 nan 8.150 nan 0.000 0.476 38 P HA 0.148 nan 4.420 nan 0.000 0.256 38 P C -1.168 176.110 177.300 -0.037 0.000 1.688 38 P CA 0.543 63.598 63.100 -0.075 0.000 1.162 38 P CB -0.615 31.020 31.700 -0.107 0.000 1.870 39 Y N 2.843 123.042 120.300 -0.169 0.000 2.482 39 Y HA 0.352 4.902 4.550 -0.000 0.000 0.334 39 Y C -0.916 174.908 175.900 -0.127 0.000 1.091 39 Y CA -0.872 57.127 58.100 -0.168 0.000 1.027 39 Y CB 1.959 40.328 38.460 -0.151 0.000 1.306 39 Y HN 0.113 nan 8.280 nan 0.000 0.446 40 D N 1.217 121.125 120.400 -0.820 0.000 2.636 40 D HA 0.194 4.834 4.640 -0.000 0.000 0.270 40 D C 1.350 177.172 176.300 -0.796 0.000 1.430 40 D CA 0.313 53.936 54.000 -0.628 0.000 0.796 40 D CB 0.268 40.880 40.800 -0.314 0.000 1.117 40 D HN 0.749 nan 8.370 nan 0.000 0.480 41 G N 0.444 108.312 108.800 -1.554 0.000 2.535 41 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.218 41 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.218 41 G C 1.297 176.001 174.900 -0.326 0.000 1.122 41 G CA 0.539 45.162 45.100 -0.795 0.000 0.769 41 G HN 0.431 nan 8.290 nan 0.000 0.549 42 G N -0.012 108.604 108.800 -0.306 0.000 2.986 42 G HA2 0.212 4.172 3.960 -0.000 0.000 0.213 42 G HA3 0.212 4.172 3.960 -0.000 0.000 0.213 42 G C 0.934 175.622 174.900 -0.355 0.000 1.156 42 G CA 0.588 45.641 45.100 -0.079 0.000 0.763 42 G HN 0.515 nan 8.290 nan 0.000 0.547 43 T N -0.249 114.027 114.554 -0.463 0.000 2.888 43 T HA 0.327 4.677 4.350 -0.000 0.000 0.301 43 T C 1.460 175.905 174.700 -0.426 0.000 1.001 43 T CA 0.414 62.108 62.100 -0.677 0.000 1.147 43 T CB 1.630 70.322 68.868 -0.293 0.000 0.931 43 T HN 0.162 nan 8.240 nan 0.000 0.541 44 S N 1.658 117.133 115.700 -0.375 0.000 2.503 44 S HA 0.113 4.583 4.470 -0.000 0.000 0.215 44 S C 0.845 175.531 174.600 0.143 0.000 1.003 44 S CA -0.424 57.784 58.200 0.013 0.000 0.910 44 S CB -0.463 62.853 63.200 0.193 0.000 0.790 44 S HN 0.805 nan 8.310 nan 0.000 0.514 45 Y N 1.839 122.128 120.300 -0.018 0.000 2.941 45 Y HA 0.503 5.053 4.550 -0.000 0.000 0.133 45 Y C 0.037 175.919 175.900 -0.029 0.000 0.874 45 Y CA -0.789 57.305 58.100 -0.010 0.000 1.843 45 Y CB 0.091 38.553 38.460 0.002 0.000 1.233 45 Y HN -0.025 nan 8.280 nan 0.000 0.325 46 R N 2.813 123.313 120.500 0.000 0.000 2.298 46 R HA 0.264 4.604 4.340 -0.000 0.000 0.310 46 R C -2.396 173.893 176.300 -0.018 0.000 1.068 46 R CA -1.644 54.396 56.100 -0.100 0.000 0.957 46 R CB 0.499 30.610 30.300 -0.315 0.000 1.003 46 R HN 0.259 nan 8.270 nan 0.000 0.454 47 P HA 0.263 nan 4.420 nan 0.000 0.306 47 P C 0.226 177.596 177.300 0.117 0.000 1.309 47 P CA -0.168 62.937 63.100 0.008 0.000 0.759 47 P CB 0.999 32.687 31.700 -0.020 0.000 1.314 48 G N -1.849 106.996 108.800 0.076 0.000 2.253 48 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.209 48 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.209 48 G C 1.113 176.092 174.900 0.132 0.000 0.997 48 G CA 0.510 45.723 45.100 0.189 0.000 0.640 48 G HN 0.674 nan 8.290 nan 0.000 0.496 49 A N 1.192 124.036 122.820 0.040 0.000 2.178 49 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 49 A C 2.187 179.739 177.584 -0.053 0.000 1.157 49 A CA 2.094 54.146 52.037 0.025 0.000 0.689 49 A CB -0.553 18.455 19.000 0.013 0.000 0.787 49 A HN 0.995 nan 8.150 nan 0.000 0.465 50 R N -1.801 118.582 120.500 -0.194 0.000 2.237 50 R HA -0.042 4.298 4.340 -0.000 0.000 0.219 50 R C 0.647 176.703 176.300 -0.406 0.000 1.080 50 R CA 1.499 57.392 56.100 -0.345 0.000 0.995 50 R CB -0.499 29.477 30.300 -0.540 0.000 0.875 50 R HN 0.397 nan 8.270 nan 0.000 0.462 51 F N 0.938 120.888 119.950 0.001 0.000 2.727 51 F HA 0.382 4.909 4.527 -0.000 0.000 0.302 51 F C 2.284 178.096 175.800 0.020 0.000 1.097 51 F CA 0.069 58.073 58.000 0.007 0.000 1.330 51 F CB 0.142 39.146 39.000 0.006 0.000 1.084 51 F HN 0.126 nan 8.300 nan 0.000 0.578 52 G N 1.814 110.697 108.800 0.138 0.000 2.491 52 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 52 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 52 G C -0.535 174.422 174.900 0.096 0.000 1.180 52 G CA 0.887 46.054 45.100 0.111 0.000 0.774 52 G HN 0.213 nan 8.290 nan 0.000 0.562 53 P HA -0.126 nan 4.420 nan 0.000 0.216 53 P C 1.850 179.201 177.300 0.084 0.000 1.153 53 P CA 1.662 64.793 63.100 0.052 0.000 0.858 53 P CB -0.070 31.635 31.700 0.008 0.000 0.789 54 Q N -0.531 119.329 119.800 0.100 0.000 2.050 54 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 54 Q C 2.050 178.112 176.000 0.103 0.000 0.980 54 Q CA 1.929 57.797 55.803 0.107 0.000 0.840 54 Q CB -0.685 28.145 28.738 0.154 0.000 0.898 54 Q HN 0.093 nan 8.270 nan 0.000 0.424 55 A N 0.679 123.568 122.820 0.116 0.000 1.898 55 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 55 A C 2.009 179.651 177.584 0.096 0.000 1.181 55 A CA 1.289 53.381 52.037 0.092 0.000 0.620 55 A CB -0.666 18.392 19.000 0.096 0.000 0.819 55 A HN 0.493 nan 8.150 nan 0.000 0.442 56 I N -0.895 119.747 120.570 0.121 0.000 2.226 56 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 56 I C 2.808 179.032 176.117 0.178 0.000 1.100 56 I CA 1.369 62.764 61.300 0.158 0.000 1.374 56 I CB -0.346 37.768 38.000 0.190 0.000 1.057 56 I HN 0.302 nan 8.210 nan 0.000 0.413 57 R N 0.003 120.609 120.500 0.176 0.000 2.081 57 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 57 R C 2.566 178.912 176.300 0.076 0.000 1.131 57 R CA 1.664 57.858 56.100 0.157 0.000 0.960 57 R CB -0.500 29.876 30.300 0.127 0.000 0.856 57 R HN 0.277 nan 8.270 nan 0.000 0.436 58 S N 0.740 116.480 115.700 0.068 0.000 2.359 58 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 58 S C 1.655 176.278 174.600 0.038 0.000 1.035 58 S CA 1.341 59.570 58.200 0.047 0.000 1.018 58 S CB -0.008 63.217 63.200 0.043 0.000 0.876 58 S HN 0.259 nan 8.310 nan 0.000 0.448 59 E N 1.004 121.226 120.200 0.037 0.000 2.371 59 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 59 E C 2.127 178.720 176.600 -0.011 0.000 1.012 59 E CA 0.766 57.178 56.400 0.021 0.000 0.860 59 E CB -0.316 29.401 29.700 0.028 0.000 0.811 59 E HN 0.755 nan 8.360 nan 0.000 0.502 60 S N 0.136 115.815 115.700 -0.035 0.000 2.537 60 S HA -0.052 4.418 4.470 -0.000 0.000 0.240 60 S C 2.008 176.532 174.600 -0.128 0.000 0.981 60 S CA 0.803 58.917 58.200 -0.143 0.000 0.948 60 S CB -0.514 62.503 63.200 -0.304 0.000 0.759 60 S HN 0.248 nan 8.310 nan 0.000 0.531 61 G N 1.781 110.552 108.800 -0.049 0.000 2.448 61 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.219 61 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.219 61 G C 1.247 176.133 174.900 -0.024 0.000 1.127 61 G CA 0.752 45.845 45.100 -0.012 0.000 0.766 61 G HN 0.580 nan 8.290 nan 0.000 0.552 62 L N 0.336 121.516 121.223 -0.070 0.000 2.395 62 L HA 0.194 4.534 4.340 -0.000 0.000 0.218 62 L C 0.301 176.962 176.870 -0.348 0.000 1.130 62 L CA 0.088 54.847 54.840 -0.134 0.000 0.826 62 L CB -0.006 42.005 42.059 -0.081 0.000 0.941 62 L HN 0.069 nan 8.230 nan 0.000 0.451 63 I N -0.283 120.098 120.570 -0.315 0.000 2.339 63 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 63 I C 0.130 176.059 176.117 -0.314 0.000 0.994 63 I CA -0.376 60.701 61.300 -0.371 0.000 1.191 63 I CB 0.676 38.537 38.000 -0.232 0.000 1.343 63 I HN 0.033 nan 8.210 nan 0.000 0.458 64 H N 3.926 122.963 119.070 -0.056 0.000 2.669 64 H HA 0.457 5.012 4.556 -0.000 0.000 0.318 64 H C 1.044 176.300 175.328 -0.121 0.000 1.429 64 H CA -0.680 55.352 56.048 -0.027 0.000 1.460 64 H CB 0.626 30.378 29.762 -0.017 0.000 1.784 64 H HN 0.646 nan 8.280 nan 0.000 0.750 65 G N -0.124 108.645 108.800 -0.051 0.000 2.744 65 G HA2 0.061 4.021 3.960 -0.000 0.000 0.211 65 G HA3 0.061 4.021 3.960 -0.000 0.000 0.211 65 G C 0.116 174.889 174.900 -0.212 0.000 1.146 65 G CA -0.038 44.816 45.100 -0.409 0.000 0.787 65 G HN 0.287 nan 8.290 nan 0.000 0.534 66 V N 2.352 122.224 119.914 -0.069 0.000 2.381 66 V HA 0.422 4.542 4.120 -0.000 0.000 0.257 66 V C 1.466 177.507 176.094 -0.088 0.000 1.057 66 V CA -0.147 62.117 62.300 -0.059 0.000 1.013 66 V CB 0.066 31.885 31.823 -0.007 0.000 1.069 66 V HN 0.233 nan 8.190 nan 0.000 0.484 67 G N 5.085 113.775 108.800 -0.183 0.000 2.608 67 G HA2 0.420 4.380 3.960 -0.000 0.000 0.212 67 G HA3 0.420 4.380 3.960 -0.000 0.000 0.212 67 G C -0.111 174.714 174.900 -0.125 0.000 1.572 67 G CA -0.504 44.474 45.100 -0.203 0.000 1.064 67 G HN 0.563 nan 8.290 nan 0.000 0.556 68 I N -0.049 120.445 120.570 -0.127 0.000 2.447 68 I HA 0.241 4.411 4.170 -0.000 0.000 0.287 68 I C -0.763 175.311 176.117 -0.073 0.000 1.023 68 I CA -0.345 60.909 61.300 -0.077 0.000 1.083 68 I CB 2.109 40.075 38.000 -0.058 0.000 1.245 68 I HN 0.415 nan 8.210 nan 0.000 0.434 69 D N 2.377 122.748 120.400 -0.050 0.000 3.012 69 D HA -0.200 4.440 4.640 -0.000 0.000 0.222 69 D C 0.494 176.771 176.300 -0.038 0.000 1.167 69 D CA 1.392 55.371 54.000 -0.034 0.000 0.854 69 D CB -0.943 39.841 40.800 -0.027 0.000 1.107 69 D HN 0.755 nan 8.370 nan 0.000 0.421 70 R N 0.545 121.004 120.500 -0.069 0.000 2.603 70 R HA 0.836 5.176 4.340 -0.000 0.000 0.225 70 R C 1.443 177.743 176.300 -0.001 0.000 1.300 70 R CA 0.190 56.247 56.100 -0.071 0.000 1.075 70 R CB -0.530 29.611 30.300 -0.266 0.000 1.663 70 R HN 0.115 nan 8.270 nan 0.000 0.546 71 G N -0.467 108.376 108.800 0.073 0.000 2.608 71 G HA2 0.273 4.233 3.960 -0.000 0.000 0.212 71 G HA3 0.273 4.233 3.960 -0.000 0.000 0.212 71 G C -1.245 173.690 174.900 0.057 0.000 1.572 71 G CA 0.368 45.519 45.100 0.085 0.000 1.064 71 G HN 0.552 nan 8.290 nan 0.000 0.556 72 P HA 0.232 nan 4.420 nan 0.000 0.233 72 P C 0.344 177.678 177.300 0.055 0.000 1.167 72 P CA 1.308 64.442 63.100 0.057 0.000 0.770 72 P CB 0.230 31.969 31.700 0.065 0.000 0.837 73 G N -1.696 107.145 108.800 0.068 0.000 3.055 73 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.685 73 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.685 73 G C 0.699 175.638 174.900 0.064 0.000 1.212 73 G CA -0.332 44.785 45.100 0.028 0.000 0.822 73 G HN -0.077 nan 8.290 nan 0.000 0.610 74 T N 2.001 116.560 114.554 0.009 0.000 2.649 74 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 74 T C 1.996 176.736 174.700 0.067 0.000 1.036 74 T CA 2.582 64.686 62.100 0.006 0.000 1.157 74 T CB -0.260 68.464 68.868 -0.239 0.000 0.861 74 T HN 0.504 nan 8.240 nan 0.000 0.445 75 F N 1.441 121.480 119.950 0.149 0.000 2.771 75 F HA 0.109 4.636 4.527 -0.000 0.000 0.299 75 F C 1.838 177.705 175.800 0.111 0.000 1.177 75 F CA -0.389 57.688 58.000 0.129 0.000 1.450 75 F CB -0.478 38.588 39.000 0.110 0.000 1.114 75 F HN 0.185 nan 8.300 nan 0.000 0.587 76 D N -0.840 119.707 120.400 0.245 0.000 2.389 76 D HA 0.143 4.783 4.640 -0.000 0.000 0.206 76 D C 2.226 178.615 176.300 0.148 0.000 1.055 76 D CA 0.415 54.517 54.000 0.171 0.000 0.856 76 D CB 0.424 41.299 40.800 0.124 0.000 0.957 76 D HN 0.280 nan 8.370 nan 0.000 0.509 77 L N 0.414 121.736 121.223 0.165 0.000 2.253 77 L HA 0.242 4.582 4.340 -0.000 0.000 0.205 77 L C 1.150 178.121 176.870 0.167 0.000 1.078 77 L CA 0.541 55.465 54.840 0.140 0.000 0.805 77 L CB 0.121 42.252 42.059 0.120 0.000 0.963 77 L HN -0.061 nan 8.230 nan 0.000 0.459 78 I N -3.795 116.912 120.570 0.227 0.000 3.074 78 I HA 0.381 4.551 4.170 -0.000 0.000 0.310 78 I C -1.295 174.988 176.117 0.277 0.000 1.153 78 I CA -0.901 60.551 61.300 0.254 0.000 0.993 78 I CB 2.136 40.328 38.000 0.320 0.000 1.237 78 I HN -0.095 nan 8.210 nan 0.000 0.443 79 N N 2.499 121.346 118.700 0.245 0.000 2.437 79 N HA 0.577 5.317 4.740 -0.000 0.000 0.259 79 N C -1.208 174.515 175.510 0.355 0.000 0.983 79 N CA -0.481 52.730 53.050 0.268 0.000 0.937 79 N CB 1.400 39.987 38.487 0.166 0.000 1.122 79 N HN 0.524 nan 8.380 nan 0.000 0.499 80 C N 1.522 120.981 119.300 0.264 0.000 2.719 80 C HA 0.808 5.268 4.460 -0.000 0.000 0.327 80 C C -0.084 174.850 174.990 -0.092 0.000 1.238 80 C CA -0.762 58.329 59.018 0.122 0.000 1.727 80 C CB 1.555 29.391 27.740 0.160 0.000 2.256 80 C HN 0.481 nan 8.230 nan 0.000 0.489 81 V N 0.553 120.324 119.914 -0.238 0.000 3.204 81 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 81 V C -1.915 174.076 176.094 -0.171 0.000 1.328 81 V CA -0.237 61.858 62.300 -0.342 0.000 1.035 81 V CB 2.230 33.525 31.823 -0.881 0.000 1.095 81 V HN 0.957 nan 8.190 nan 0.000 0.442 82 D N 3.651 124.010 120.400 -0.069 0.000 2.359 82 D HA 0.537 5.177 4.640 -0.000 0.000 0.230 82 D C 0.465 176.811 176.300 0.077 0.000 1.118 82 D CA 0.279 54.308 54.000 0.049 0.000 0.844 82 D CB 1.919 42.798 40.800 0.133 0.000 1.059 82 D HN 0.797 nan 8.370 nan 0.000 0.493 83 A N 3.080 125.910 122.820 0.016 0.000 2.302 83 A HA 0.520 4.840 4.320 -0.000 0.000 0.219 83 A C 1.240 178.893 177.584 0.116 0.000 1.243 83 A CA 0.615 52.657 52.037 0.009 0.000 0.856 83 A CB -0.584 18.412 19.000 -0.007 0.000 0.893 83 A HN 0.871 nan 8.150 nan 0.000 0.491 84 G N -0.323 108.594 108.800 0.194 0.000 2.553 84 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.242 84 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.242 84 G C -0.845 174.062 174.900 0.012 0.000 1.277 84 G CA 0.041 45.236 45.100 0.158 0.000 0.910 84 G HN 0.408 nan 8.290 nan 0.000 0.576 85 D N -0.369 120.017 120.400 -0.022 0.000 2.414 85 D HA 0.646 5.286 4.640 -0.000 0.000 0.241 85 D C 0.316 176.493 176.300 -0.206 0.000 1.008 85 D CA -0.445 53.484 54.000 -0.118 0.000 1.001 85 D CB 1.465 42.214 40.800 -0.085 0.000 1.277 85 D HN 0.522 nan 8.370 nan 0.000 0.538 86 I N 1.392 121.761 120.570 -0.334 0.000 2.395 86 I HA 0.080 4.250 4.170 -0.000 0.000 0.289 86 I C 0.528 176.543 176.117 -0.170 0.000 1.023 86 I CA -0.493 60.559 61.300 -0.412 0.000 1.350 86 I CB 0.485 38.189 38.000 -0.494 0.000 1.409 86 I HN -0.051 nan 8.210 nan 0.000 0.507 87 N N 7.905 126.563 118.700 -0.070 0.000 2.549 87 N HA 0.209 4.949 4.740 -0.000 0.000 0.267 87 N C -0.773 174.685 175.510 -0.087 0.000 1.182 87 N CA 0.125 53.141 53.050 -0.056 0.000 1.019 87 N CB 0.275 38.754 38.487 -0.014 0.000 1.380 87 N HN 0.387 nan 8.380 nan 0.000 0.505 88 L N 1.005 122.157 121.223 -0.118 0.000 2.275 88 L HA 0.228 4.568 4.340 -0.000 0.000 0.288 88 L C 1.239 178.044 176.870 -0.108 0.000 1.046 88 L CA -0.480 54.267 54.840 -0.155 0.000 0.805 88 L CB 1.375 43.311 42.059 -0.205 0.000 1.193 88 L HN 0.176 nan 8.230 nan 0.000 0.426 89 T N 3.827 118.314 114.554 -0.112 0.000 2.919 89 T HA 0.239 4.589 4.350 -0.000 0.000 0.302 89 T C -1.508 173.124 174.700 -0.115 0.000 1.031 89 T CA -1.165 60.860 62.100 -0.125 0.000 1.127 89 T CB 0.946 69.791 68.868 -0.039 0.000 0.952 89 T HN 0.496 nan 8.240 nan 0.000 0.540 90 P HA 0.217 nan 4.420 nan 0.000 0.261 90 P C 0.358 177.455 177.300 -0.339 0.000 1.268 90 P CA 0.099 62.963 63.100 -0.393 0.000 0.833 90 P CB 0.122 31.460 31.700 -0.603 0.000 1.231 91 F N -0.178 119.803 119.950 0.053 0.000 2.731 91 F HA 0.309 4.836 4.527 0.000 0.000 0.298 91 F C 0.812 176.636 175.800 0.039 0.000 1.106 91 F CA -0.337 57.682 58.000 0.032 0.000 1.329 91 F CB 0.218 39.228 39.000 0.016 0.000 1.100 91 F HN -0.098 nan 8.300 nan 0.000 0.592 92 D N 0.403 120.918 120.400 0.192 0.000 2.478 92 D HA 0.100 4.740 4.640 -0.000 0.000 0.240 92 D C 0.889 177.247 176.300 0.097 0.000 1.364 92 D CA -0.013 54.065 54.000 0.129 0.000 0.987 92 D CB 1.146 42.005 40.800 0.098 0.000 1.328 92 D HN 0.090 nan 8.370 nan 0.000 0.584 93 M N 3.997 123.675 119.600 0.131 0.000 2.110 93 M HA -0.284 4.196 4.480 -0.000 0.000 0.257 93 M C 0.763 177.078 176.300 0.025 0.000 1.071 93 M CA 2.107 57.497 55.300 0.149 0.000 1.096 93 M CB -0.069 32.638 32.600 0.179 0.000 1.300 93 M HN 0.250 nan 8.290 nan 0.000 0.411 94 N N 0.463 119.205 118.700 0.070 0.000 2.120 94 N HA -0.095 4.645 4.740 -0.000 0.000 0.188 94 N C 1.581 177.043 175.510 -0.081 0.000 1.024 94 N CA 1.819 54.895 53.050 0.043 0.000 0.852 94 N CB -0.402 38.146 38.487 0.102 0.000 1.003 94 N HN 0.453 nan 8.380 nan 0.000 0.424 95 I N 0.168 120.703 120.570 -0.059 0.000 2.315 95 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 95 I C 2.162 178.181 176.117 -0.164 0.000 1.117 95 I CA 0.797 62.047 61.300 -0.082 0.000 1.404 95 I CB -0.297 37.684 38.000 -0.032 0.000 1.071 95 I HN 0.144 nan 8.210 nan 0.000 0.419 96 A N 1.203 123.883 122.820 -0.234 0.000 1.898 96 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 96 A C 2.226 179.529 177.584 -0.468 0.000 1.181 96 A CA 1.217 53.008 52.037 -0.409 0.000 0.620 96 A CB -0.498 18.063 19.000 -0.732 0.000 0.819 96 A HN 0.274 nan 8.150 nan 0.000 0.442 97 I N 0.630 120.904 120.570 -0.493 0.000 2.226 97 I HA -0.193 3.977 4.170 -0.000 0.000 0.245 97 I C 1.721 177.605 176.117 -0.389 0.000 1.100 97 I CA 1.523 62.499 61.300 -0.540 0.000 1.374 97 I CB -1.448 36.022 38.000 -0.884 0.000 1.057 97 I HN 0.300 nan 8.210 nan 0.000 0.413 98 D N 0.544 120.765 120.400 -0.299 0.000 2.117 98 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 98 D C 2.156 178.359 176.300 -0.161 0.000 0.982 98 D CA 1.511 55.392 54.000 -0.198 0.000 0.828 98 D CB -0.196 40.524 40.800 -0.135 0.000 0.967 98 D HN 0.268 nan 8.370 nan 0.000 0.464 99 T N 0.905 115.360 114.554 -0.166 0.000 2.788 99 T HA -0.105 4.245 4.350 -0.000 0.000 0.268 99 T C 2.025 176.653 174.700 -0.121 0.000 1.044 99 T CA 1.400 63.427 62.100 -0.122 0.000 1.139 99 T CB -0.206 68.587 68.868 -0.125 0.000 0.867 99 T HN 0.184 nan 8.240 nan 0.000 0.454 100 A N 1.242 123.942 122.820 -0.201 0.000 1.877 100 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 100 A C 2.299 179.789 177.584 -0.157 0.000 1.186 100 A CA 1.848 53.759 52.037 -0.210 0.000 0.620 100 A CB -0.810 18.018 19.000 -0.287 0.000 0.822 100 A HN 0.538 nan 8.150 nan 0.000 0.443 101 Q N -0.362 119.339 119.800 -0.164 0.000 2.061 101 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 101 Q C 2.368 178.326 176.000 -0.070 0.000 0.984 101 Q CA 2.165 57.896 55.803 -0.120 0.000 0.846 101 Q CB -0.266 28.393 28.738 -0.132 0.000 0.902 101 Q HN 0.641 nan 8.270 nan 0.000 0.421 102 S N -0.857 114.802 115.700 -0.067 0.000 2.359 102 S HA -0.266 4.204 4.470 -0.000 0.000 0.224 102 S C 1.797 176.379 174.600 -0.029 0.000 1.035 102 S CA 1.840 60.011 58.200 -0.048 0.000 1.018 102 S CB -0.454 62.713 63.200 -0.056 0.000 0.876 102 S HN 0.679 nan 8.310 nan 0.000 0.448 103 H N 0.197 119.199 119.070 -0.113 0.000 2.357 103 H HA 0.105 4.661 4.556 -0.000 0.000 0.301 103 H C 2.076 177.327 175.328 -0.127 0.000 1.082 103 H CA 1.842 57.822 56.048 -0.115 0.000 1.342 103 H CB -0.148 29.532 29.762 -0.138 0.000 1.389 103 H HN 0.339 nan 8.280 nan 0.000 0.511 104 L N -0.598 120.640 121.223 0.025 0.000 2.093 104 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 104 L C 2.628 179.539 176.870 0.068 0.000 1.085 104 L CA 1.072 55.855 54.840 -0.096 0.000 0.755 104 L CB -0.346 41.542 42.059 -0.285 0.000 0.904 104 L HN 0.261 nan 8.230 nan 0.000 0.435 105 S N 0.071 115.799 115.700 0.046 0.000 2.368 105 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 105 S C 2.056 176.678 174.600 0.037 0.000 1.030 105 S CA 1.212 59.446 58.200 0.055 0.000 0.999 105 S CB -0.532 62.675 63.200 0.012 0.000 0.844 105 S HN 0.607 nan 8.310 nan 0.000 0.459 106 G N 1.797 110.592 108.800 -0.009 0.000 2.440 106 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 106 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 106 G C 1.327 176.227 174.900 -0.000 0.000 1.154 106 G CA 0.758 45.832 45.100 -0.042 0.000 0.767 106 G HN 0.443 nan 8.290 nan 0.000 0.552 107 L N -0.113 121.136 121.223 0.044 0.000 2.046 107 L HA -0.011 4.328 4.340 -0.000 0.000 0.208 107 L C 2.820 179.770 176.870 0.134 0.000 1.077 107 L CA 0.603 55.504 54.840 0.101 0.000 0.747 107 L CB -0.364 41.790 42.059 0.158 0.000 0.896 107 L HN 0.185 nan 8.230 nan 0.000 0.432 108 L N 0.149 121.469 121.223 0.162 0.000 2.362 108 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 108 L C 3.070 179.981 176.870 0.068 0.000 1.134 108 L CA 1.003 55.925 54.840 0.136 0.000 0.807 108 L CB -0.788 41.362 42.059 0.153 0.000 0.927 108 L HN 0.261 nan 8.230 nan 0.000 0.447 109 K N 0.385 120.813 120.400 0.047 0.000 2.283 109 K HA 0.140 4.460 4.320 -0.000 0.000 0.202 109 K C 1.676 178.290 176.600 0.023 0.000 1.048 109 K CA 1.388 57.686 56.287 0.019 0.000 0.948 109 K CB -0.446 32.056 32.500 0.003 0.000 0.742 109 K HN 0.450 nan 8.250 nan 0.000 0.458 110 A N -0.175 122.670 122.820 0.042 0.000 2.551 110 A HA 0.307 4.627 4.320 -0.000 0.000 0.252 110 A C 0.007 177.638 177.584 0.077 0.000 1.199 110 A CA -0.338 51.727 52.037 0.047 0.000 0.972 110 A CB 0.448 19.475 19.000 0.044 0.000 1.153 110 A HN 0.379 nan 8.150 nan 0.000 0.559 111 N N -1.265 117.491 118.700 0.093 0.000 2.329 111 N HA 0.466 5.206 4.740 -0.000 0.000 0.282 111 N C 0.825 176.393 175.510 0.097 0.000 1.198 111 N CA 0.249 53.371 53.050 0.120 0.000 0.790 111 N CB 1.970 40.554 38.487 0.162 0.000 1.579 111 N HN 0.016 nan 8.380 nan 0.000 0.475 112 A N 0.993 123.868 122.820 0.092 0.000 1.858 112 A HA 0.289 4.609 4.320 -0.000 0.000 0.216 112 A C 0.781 178.396 177.584 0.052 0.000 1.190 112 A CA 2.152 54.239 52.037 0.084 0.000 0.617 112 A CB -0.241 18.831 19.000 0.120 0.000 0.827 112 A HN 0.801 nan 8.150 nan 0.000 0.443 113 A N -2.664 120.141 122.820 -0.024 0.000 2.557 113 A HA 0.673 4.993 4.320 -0.000 0.000 0.292 113 A C -0.864 176.659 177.584 -0.101 0.000 1.139 113 A CA -0.201 51.727 52.037 -0.182 0.000 0.665 113 A CB 0.351 19.148 19.000 -0.339 0.000 1.285 113 A HN 1.225 nan 8.150 nan 0.000 0.433 114 F N -1.571 118.341 119.950 -0.064 0.000 2.629 114 F HA 0.856 5.383 4.527 -0.000 0.000 0.316 114 F C -1.270 174.558 175.800 0.046 0.000 1.081 114 F CA -1.847 56.147 58.000 -0.011 0.000 0.954 114 F CB 1.548 40.560 39.000 0.021 0.000 1.337 114 F HN 0.535 nan 8.300 nan 0.000 0.474 115 L N 3.681 125.171 121.223 0.444 0.000 2.377 115 L HA 0.553 4.893 4.340 -0.000 0.000 0.270 115 L C -1.077 175.916 176.870 0.206 0.000 0.991 115 L CA -0.896 54.165 54.840 0.368 0.000 0.851 115 L CB 1.517 43.669 42.059 0.155 0.000 1.218 115 L HN 0.920 nan 8.230 nan 0.000 0.420 116 M N 5.654 125.412 119.600 0.264 0.000 2.105 116 M HA 0.446 4.926 4.480 -0.000 0.000 0.350 116 M C -1.226 175.072 176.300 -0.003 0.000 1.308 116 M CA -0.250 55.087 55.300 0.062 0.000 1.108 116 M CB 0.484 33.126 32.600 0.070 0.000 1.622 116 M HN 0.476 nan 8.290 nan 0.000 0.468 117 I N 5.540 126.055 120.570 -0.091 0.000 2.307 117 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 117 I C 0.572 176.659 176.117 -0.049 0.000 1.021 117 I CA -0.042 61.200 61.300 -0.098 0.000 1.224 117 I CB 0.049 37.943 38.000 -0.176 0.000 1.376 117 I HN 0.903 nan 8.210 nan 0.000 0.470 118 G N 4.192 112.985 108.800 -0.012 0.000 3.247 118 G HA2 0.729 4.689 3.960 -0.000 0.000 0.199 118 G HA3 0.729 4.689 3.960 -0.000 0.000 0.199 118 G C 0.001 174.914 174.900 0.021 0.000 1.172 118 G CA -0.002 45.098 45.100 -0.000 0.000 0.844 118 G HN 0.598 nan 8.290 nan 0.000 0.619 119 G N -0.685 108.139 108.800 0.041 0.000 3.019 119 G HA2 0.462 4.422 3.960 -0.000 0.000 0.152 119 G HA3 0.462 4.422 3.960 -0.000 0.000 0.152 119 G C -0.337 174.610 174.900 0.078 0.000 1.320 119 G CA 0.420 45.545 45.100 0.042 0.000 1.013 119 G HN 0.864 nan 8.290 nan 0.000 0.593 120 D N -2.476 117.979 120.400 0.090 0.000 2.378 120 D HA 0.026 4.666 4.640 -0.000 0.000 0.238 120 D C 0.888 177.345 176.300 0.261 0.000 1.180 120 D CA -0.080 54.025 54.000 0.174 0.000 0.895 120 D CB 0.613 41.490 40.800 0.128 0.000 1.192 120 D HN 0.525 nan 8.370 nan 0.000 0.438 121 H N -0.688 118.520 119.070 0.231 0.000 2.543 121 H HA -0.131 4.425 4.556 -0.000 0.000 0.286 121 H C 1.878 177.291 175.328 0.142 0.000 1.037 121 H CA 0.734 56.902 56.048 0.200 0.000 1.250 121 H CB 0.343 30.246 29.762 0.235 0.000 1.373 121 H HN 0.542 nan 8.280 nan 0.000 0.580 122 S N 0.239 116.121 115.700 0.302 0.000 2.399 122 S HA -0.164 4.306 4.470 -0.000 0.000 0.231 122 S C 1.989 176.625 174.600 0.061 0.000 1.022 122 S CA 0.889 59.194 58.200 0.175 0.000 0.983 122 S CB -0.559 62.777 63.200 0.226 0.000 0.803 122 S HN 0.421 nan 8.310 nan 0.000 0.480 123 L N 1.359 122.634 121.223 0.085 0.000 2.349 123 L HA -0.078 4.262 4.340 -0.000 0.000 0.220 123 L C 2.657 179.492 176.870 -0.058 0.000 1.130 123 L CA 1.322 56.141 54.840 -0.034 0.000 0.791 123 L CB -1.156 40.904 42.059 0.000 0.000 0.918 123 L HN 0.383 nan 8.230 nan 0.000 0.444 124 T N -1.076 113.476 114.554 -0.005 0.000 2.929 124 T HA -0.163 4.187 4.350 -0.000 0.000 0.271 124 T C 1.928 176.476 174.700 -0.254 0.000 1.085 124 T CA 1.155 63.210 62.100 -0.076 0.000 1.125 124 T CB -0.078 68.748 68.868 -0.070 0.000 0.874 124 T HN 0.222 nan 8.240 nan 0.000 0.494 125 V N 1.356 121.122 119.914 -0.246 0.000 2.515 125 V HA -0.079 4.041 4.120 -0.000 0.000 0.250 125 V C 2.530 178.491 176.094 -0.222 0.000 1.058 125 V CA 1.824 63.981 62.300 -0.237 0.000 1.064 125 V CB -0.850 30.888 31.823 -0.141 0.000 0.675 125 V HN 0.504 nan 8.190 nan 0.000 0.461 126 A N -0.281 122.404 122.820 -0.225 0.000 1.929 126 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 126 A C 2.399 179.905 177.584 -0.131 0.000 1.176 126 A CA 1.819 53.734 52.037 -0.203 0.000 0.628 126 A CB -0.841 18.017 19.000 -0.237 0.000 0.816 126 A HN 0.784 nan 8.150 nan 0.000 0.444 127 A N -0.192 122.564 122.820 -0.107 0.000 1.898 127 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 127 A C 2.133 179.647 177.584 -0.117 0.000 1.181 127 A CA 1.329 53.391 52.037 0.042 0.000 0.620 127 A CB -0.567 18.551 19.000 0.197 0.000 0.819 127 A HN 0.449 nan 8.150 nan 0.000 0.442 128 L N -1.056 119.967 121.223 -0.333 0.000 2.083 128 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 128 L C 2.875 179.649 176.870 -0.160 0.000 1.083 128 L CA 1.417 56.045 54.840 -0.354 0.000 0.752 128 L CB -0.441 41.404 42.059 -0.357 0.000 0.899 128 L HN 0.362 nan 8.230 nan 0.000 0.433 129 R N -0.238 120.190 120.500 -0.121 0.000 2.075 129 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 129 R C 2.458 178.742 176.300 -0.026 0.000 1.126 129 R CA 1.328 57.385 56.100 -0.071 0.000 0.963 129 R CB -0.470 29.781 30.300 -0.083 0.000 0.858 129 R HN 0.342 nan 8.270 nan 0.000 0.435 130 A N 0.559 123.382 122.820 0.005 0.000 1.902 130 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 130 A C 2.326 179.970 177.584 0.100 0.000 1.181 130 A CA 1.374 53.455 52.037 0.072 0.000 0.623 130 A CB -0.456 18.634 19.000 0.152 0.000 0.818 130 A HN 0.118 nan 8.150 nan 0.000 0.443 131 V N -0.239 119.733 119.914 0.097 0.000 2.379 131 V HA -0.170 3.949 4.120 -0.000 0.000 0.245 131 V C 3.013 179.184 176.094 0.128 0.000 1.044 131 V CA 1.728 64.096 62.300 0.113 0.000 1.036 131 V CB -1.186 30.660 31.823 0.038 0.000 0.664 131 V HN 0.591 nan 8.190 nan 0.000 0.453 132 A N 0.192 123.039 122.820 0.046 0.000 1.972 132 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 132 A C 2.298 179.902 177.584 0.033 0.000 1.169 132 A CA 2.023 54.086 52.037 0.044 0.000 0.635 132 A CB -0.681 18.320 19.000 0.001 0.000 0.810 132 A HN 0.627 nan 8.150 nan 0.000 0.446 133 E N -1.804 118.406 120.200 0.016 0.000 2.265 133 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 133 E C 1.915 178.495 176.600 -0.033 0.000 0.996 133 E CA 2.034 58.431 56.400 -0.006 0.000 0.832 133 E CB -1.102 28.595 29.700 -0.006 0.000 0.756 133 E HN 0.979 nan 8.360 nan 0.000 0.491 134 Q N -1.137 118.632 119.800 -0.052 0.000 2.317 134 Q HA 0.177 4.517 4.340 -0.000 0.000 0.220 134 Q C 1.661 177.404 176.000 -0.428 0.000 0.873 134 Q CA 0.701 56.375 55.803 -0.215 0.000 0.936 134 Q CB -0.079 28.510 28.738 -0.249 0.000 1.105 134 Q HN 0.855 nan 8.270 nan 0.000 0.520 135 H N -2.051 117.016 119.070 -0.006 0.000 3.622 135 H HA 0.431 4.987 4.556 -0.000 0.000 0.259 135 H C 1.041 176.369 175.328 0.000 0.000 1.145 135 H CA 0.442 56.489 56.048 -0.003 0.000 1.178 135 H CB 1.605 31.366 29.762 -0.002 0.000 1.542 135 H HN 0.639 nan 8.280 nan 0.000 0.586 136 G N 1.994 110.848 108.800 0.091 0.000 2.698 136 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.225 136 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.225 136 G C -2.651 172.285 174.900 0.060 0.000 1.345 136 G CA -1.129 44.005 45.100 0.056 0.000 0.871 136 G HN -0.010 nan 8.290 nan 0.000 0.540 137 P HA 0.276 nan 4.420 nan 0.000 0.259 137 P C 0.157 177.484 177.300 0.046 0.000 1.163 137 P CA 0.383 63.505 63.100 0.037 0.000 0.760 137 P CB 0.184 31.903 31.700 0.032 0.000 0.762 138 L N 2.321 123.571 121.223 0.044 0.000 2.344 138 L HA 0.673 5.013 4.340 -0.000 0.000 0.272 138 L C 0.686 177.595 176.870 0.065 0.000 1.035 138 L CA -1.074 53.798 54.840 0.053 0.000 0.807 138 L CB 1.388 43.480 42.059 0.055 0.000 1.237 138 L HN 0.287 nan 8.230 nan 0.000 0.442 139 A N 2.129 124.989 122.820 0.066 0.000 2.316 139 A HA 0.739 5.059 4.320 -0.000 0.000 0.284 139 A C -0.587 177.065 177.584 0.114 0.000 1.115 139 A CA -0.394 51.687 52.037 0.072 0.000 0.812 139 A CB 1.023 20.054 19.000 0.051 0.000 1.064 139 A HN 0.413 nan 8.150 nan 0.000 0.489 140 V N 1.996 121.984 119.914 0.124 0.000 2.760 140 V HA 0.446 4.566 4.120 -0.000 0.000 0.309 140 V C -0.760 175.417 176.094 0.139 0.000 1.077 140 V CA -0.491 61.918 62.300 0.180 0.000 0.910 140 V CB 2.010 33.974 31.823 0.235 0.000 1.008 140 V HN 0.653 nan 8.190 nan 0.000 0.424 141 V N 4.076 124.087 119.914 0.161 0.000 2.376 141 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 141 V C -0.399 175.802 176.094 0.178 0.000 1.015 141 V CA -0.475 61.898 62.300 0.123 0.000 0.834 141 V CB 1.190 33.072 31.823 0.098 0.000 1.001 141 V HN 0.939 nan 8.190 nan 0.000 0.428 142 H N 6.234 125.284 119.070 -0.034 0.000 2.587 142 H HA 0.579 5.135 4.556 -0.000 0.000 0.325 142 H C -1.343 173.943 175.328 -0.070 0.000 1.012 142 H CA -0.937 55.055 56.048 -0.093 0.000 1.213 142 H CB 1.326 30.802 29.762 -0.475 0.000 1.431 142 H HN 0.505 nan 8.280 nan 0.000 0.492 143 L N 5.900 127.108 121.223 -0.025 0.000 2.265 143 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 143 L C -0.348 176.391 176.870 -0.218 0.000 1.033 143 L CA -0.298 54.441 54.840 -0.168 0.000 0.814 143 L CB 1.241 43.251 42.059 -0.082 0.000 1.203 143 L HN 0.675 nan 8.230 nan 0.000 0.423 144 D N 1.346 121.529 120.400 -0.361 0.000 2.683 144 D HA 0.313 4.953 4.640 -0.000 0.000 0.246 144 D C -0.096 176.048 176.300 -0.261 0.000 1.238 144 D CA -0.309 53.547 54.000 -0.240 0.000 0.759 144 D CB 2.320 42.923 40.800 -0.328 0.000 1.349 144 D HN 0.419 nan 8.370 nan 0.000 0.426 145 A N 1.230 123.889 122.820 -0.268 0.000 2.132 145 A HA 0.129 4.449 4.320 -0.000 0.000 0.213 145 A C 0.144 177.345 177.584 -0.639 0.000 1.154 145 A CA 0.994 52.743 52.037 -0.480 0.000 0.753 145 A CB -0.260 18.385 19.000 -0.592 0.000 0.826 145 A HN 0.531 nan 8.150 nan 0.000 0.469 146 H N -2.508 116.539 119.070 -0.039 0.000 2.622 146 H HA 0.475 5.031 4.556 -0.000 0.000 0.363 146 H C 0.921 176.259 175.328 0.017 0.000 1.151 146 H CA -0.008 56.038 56.048 -0.004 0.000 1.184 146 H CB 1.691 31.464 29.762 0.019 0.000 1.643 146 H HN 0.028 nan 8.280 nan 0.000 0.531 147 S N 0.515 116.303 115.700 0.146 0.000 2.399 147 S HA -0.160 4.310 4.470 -0.000 0.000 0.231 147 S C 0.157 174.898 174.600 0.236 0.000 1.022 147 S CA 1.221 59.503 58.200 0.137 0.000 0.983 147 S CB -0.477 62.793 63.200 0.116 0.000 0.803 147 S HN 0.853 nan 8.310 nan 0.000 0.480 148 D N 0.322 120.862 120.400 0.234 0.000 2.751 148 D HA -0.109 4.531 4.640 -0.000 0.000 0.233 148 D C 0.326 176.739 176.300 0.189 0.000 1.149 148 D CA 1.359 55.492 54.000 0.222 0.000 0.682 148 D CB -1.772 39.219 40.800 0.319 0.000 1.068 148 D HN 0.636 nan 8.370 nan 0.000 0.429 149 T N -3.550 111.080 114.554 0.126 0.000 3.380 149 T HA 0.192 4.542 4.350 -0.000 0.000 0.289 149 T C 0.365 175.000 174.700 -0.107 0.000 1.012 149 T CA -0.778 61.353 62.100 0.052 0.000 0.944 149 T CB 0.413 69.411 68.868 0.217 0.000 1.172 149 T HN -0.050 nan 8.240 nan 0.000 0.502 150 N N 2.984 121.656 118.700 -0.046 0.000 2.483 150 N HA 0.382 5.122 4.740 -0.000 0.000 0.269 150 N C -2.854 172.593 175.510 -0.106 0.000 1.209 150 N CA -1.685 51.353 53.050 -0.020 0.000 0.969 150 N CB 0.782 39.358 38.487 0.149 0.000 1.173 150 N HN 0.167 nan 8.380 nan 0.000 0.475 151 P HA 0.115 nan 4.420 nan 0.000 0.271 151 P C -0.637 176.696 177.300 0.055 0.000 1.218 151 P CA -0.054 63.011 63.100 -0.057 0.000 0.780 151 P CB 0.542 32.255 31.700 0.022 0.000 0.901 152 A N 2.850 125.616 122.820 -0.091 0.000 2.240 152 A HA 0.835 5.155 4.320 -0.000 0.000 0.292 152 A C -0.443 177.183 177.584 0.071 0.000 1.121 152 A CA 0.021 51.964 52.037 -0.156 0.000 0.851 152 A CB -0.031 18.819 19.000 -0.251 0.000 1.167 152 A HN 0.569 nan 8.150 nan 0.000 0.503 153 F N -4.405 115.595 119.950 0.082 0.000 2.773 153 F HA 0.521 5.048 4.527 -0.000 0.000 0.314 153 F C -1.007 174.856 175.800 0.104 0.000 1.160 153 F CA -1.576 56.480 58.000 0.093 0.000 0.920 153 F CB 0.533 39.589 39.000 0.094 0.000 1.323 153 F HN 0.597 nan 8.300 nan 0.000 0.457 154 Y N 2.140 122.635 120.300 0.324 0.000 2.620 154 Y HA 0.405 4.955 4.550 -0.000 0.000 0.330 154 Y C 1.190 177.258 175.900 0.278 0.000 1.186 154 Y CA 1.308 59.526 58.100 0.197 0.000 1.467 154 Y CB 0.714 39.254 38.460 0.133 0.000 1.262 154 Y HN 1.328 nan 8.280 nan 0.000 0.550 155 G N 3.302 111.791 108.800 -0.517 0.000 2.148 155 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.254 155 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.254 155 G C 0.403 175.270 174.900 -0.054 0.000 0.981 155 G CA 0.303 45.195 45.100 -0.347 0.000 0.670 155 G HN 1.807 nan 8.290 nan 0.000 0.528 156 G N -1.019 107.681 108.800 -0.166 0.000 5.374 156 G HA2 0.419 4.379 3.960 -0.000 0.000 0.198 156 G HA3 0.419 4.379 3.960 -0.000 0.000 0.198 156 G C 0.467 174.994 174.900 -0.622 0.000 0.812 156 G CA 0.844 45.691 45.100 -0.422 0.000 0.614 156 G HN 0.453 nan 8.290 nan 0.000 0.357 157 R N -0.335 119.923 120.500 -0.403 0.000 2.148 157 R HA 0.007 4.347 4.340 -0.000 0.000 0.227 157 R C 0.040 175.954 176.300 -0.643 0.000 1.103 157 R CA 1.006 56.785 56.100 -0.536 0.000 0.983 157 R CB 0.060 29.980 30.300 -0.634 0.000 0.874 157 R HN 0.389 nan 8.270 nan 0.000 0.451 158 Y N 0.312 120.522 120.300 -0.149 0.000 2.557 158 Y HA 0.184 4.734 4.550 -0.000 0.000 0.352 158 Y C -0.656 175.196 175.900 -0.080 0.000 0.918 158 Y CA -1.124 56.910 58.100 -0.111 0.000 1.232 158 Y CB -0.134 38.275 38.460 -0.086 0.000 1.235 158 Y HN 0.177 nan 8.280 nan 0.000 0.596 159 H N -3.440 115.642 119.070 0.020 0.000 2.615 159 H HA 0.118 4.674 4.556 -0.000 0.000 0.363 159 H C 1.241 176.702 175.328 0.223 0.000 1.148 159 H CA -0.272 55.819 56.048 0.073 0.000 1.401 159 H CB 0.343 30.126 29.762 0.035 0.000 1.461 159 H HN 0.580 nan 8.280 nan 0.000 0.588 160 H N 0.245 119.440 119.070 0.208 0.000 2.568 160 H HA -0.004 4.552 4.556 -0.000 0.000 0.285 160 H C 1.029 176.461 175.328 0.172 0.000 1.048 160 H CA -0.034 56.117 56.048 0.172 0.000 1.197 160 H CB -0.177 29.697 29.762 0.186 0.000 1.343 160 H HN 0.821 nan 8.280 nan 0.000 0.614 161 G N 0.678 109.696 108.800 0.364 0.000 3.126 161 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.224 161 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.224 161 G C 1.309 176.205 174.900 -0.007 0.000 1.142 161 G CA 0.380 45.604 45.100 0.207 0.000 0.759 161 G HN 0.536 nan 8.290 nan 0.000 0.550 162 T N -2.114 112.305 114.554 -0.226 0.000 3.010 162 T HA 0.226 4.576 4.350 -0.000 0.000 0.257 162 T C 0.131 174.701 174.700 -0.217 0.000 1.020 162 T CA 0.214 62.107 62.100 -0.344 0.000 0.938 162 T CB 0.327 68.846 68.868 -0.581 0.000 1.049 162 T HN 0.076 nan 8.240 nan 0.000 0.522 163 P HA -0.193 nan 4.420 nan 0.000 0.216 163 P C 0.872 177.902 177.300 -0.451 0.000 1.167 163 P CA 1.449 64.369 63.100 -0.301 0.000 0.914 163 P CB -0.356 31.015 31.700 -0.548 0.000 0.793 164 F N -0.902 118.953 119.950 -0.157 0.000 2.661 164 F HA 0.104 4.630 4.527 -0.000 0.000 0.298 164 F C 2.829 178.598 175.800 -0.052 0.000 1.137 164 F CA 0.307 58.239 58.000 -0.112 0.000 1.454 164 F CB -0.735 38.183 39.000 -0.136 0.000 1.103 164 F HN -0.166 nan 8.300 nan 0.000 0.577 165 R N -0.188 120.291 120.500 -0.035 0.000 2.062 165 R HA -0.093 4.247 4.340 -0.000 0.000 0.229 165 R C 2.225 178.449 176.300 -0.127 0.000 1.128 165 R CA 1.527 57.536 56.100 -0.151 0.000 0.960 165 R CB -0.602 29.430 30.300 -0.446 0.000 0.855 165 R HN 0.178 nan 8.270 nan 0.000 0.432 166 H N -0.858 118.165 119.070 -0.078 0.000 2.353 166 H HA 0.008 4.564 4.556 -0.000 0.000 0.300 166 H C 1.901 177.194 175.328 -0.058 0.000 1.090 166 H CA 1.540 57.547 56.048 -0.068 0.000 1.327 166 H CB -0.653 29.071 29.762 -0.064 0.000 1.383 166 H HN 0.490 nan 8.280 nan 0.000 0.508 167 G N 0.896 109.714 108.800 0.031 0.000 2.440 167 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 167 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 167 G C 1.924 176.832 174.900 0.013 0.000 1.154 167 G CA 0.989 46.079 45.100 -0.016 0.000 0.767 167 G HN 0.325 nan 8.290 nan 0.000 0.552 168 I N 0.623 121.208 120.570 0.025 0.000 2.233 168 I HA -0.065 4.105 4.170 -0.000 0.000 0.243 168 I C 2.288 178.379 176.117 -0.043 0.000 1.093 168 I CA 1.001 62.275 61.300 -0.043 0.000 1.380 168 I CB -0.231 37.685 38.000 -0.141 0.000 1.067 168 I HN 0.008 nan 8.210 nan 0.000 0.413 169 D N 1.048 121.458 120.400 0.017 0.000 2.123 169 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 169 D C 1.789 178.117 176.300 0.046 0.000 0.992 169 D CA 1.332 55.362 54.000 0.050 0.000 0.833 169 D CB -0.234 40.614 40.800 0.080 0.000 0.954 169 D HN 0.402 nan 8.370 nan 0.000 0.455 170 E N 0.216 120.443 120.200 0.044 0.000 2.494 170 E HA -0.014 4.335 4.350 -0.000 0.000 0.193 170 E C 0.084 176.694 176.600 0.017 0.000 1.074 170 E CA -0.041 56.377 56.400 0.031 0.000 0.867 170 E CB 0.233 29.948 29.700 0.026 0.000 0.924 170 E HN 0.017 nan 8.360 nan 0.000 0.502 171 K N -0.576 119.832 120.400 0.014 0.000 3.160 171 K HA -0.221 4.099 4.320 -0.000 0.000 0.280 171 K C 0.667 177.273 176.600 0.009 0.000 1.154 171 K CA 0.554 56.849 56.287 0.013 0.000 0.822 171 K CB -2.067 30.443 32.500 0.018 0.000 1.239 171 K HN 0.315 nan 8.250 nan 0.000 0.489 172 L N -0.528 120.695 121.223 0.001 0.000 2.341 172 L HA 0.167 4.507 4.340 -0.000 0.000 0.214 172 L C 1.217 178.088 176.870 0.001 0.000 1.115 172 L CA 0.686 55.520 54.840 -0.010 0.000 0.820 172 L CB 0.047 42.082 42.059 -0.040 0.000 0.944 172 L HN 0.122 nan 8.230 nan 0.000 0.452 173 I N -0.702 119.876 120.570 0.014 0.000 2.569 173 I HA 0.199 4.369 4.170 -0.000 0.000 0.296 173 I C -0.783 175.354 176.117 0.033 0.000 1.028 173 I CA -0.686 60.637 61.300 0.038 0.000 1.082 173 I CB 2.228 40.271 38.000 0.070 0.000 1.264 173 I HN -0.193 nan 8.210 nan 0.000 0.429 174 D N 7.791 128.216 120.400 0.042 0.000 2.467 174 D HA 0.230 4.870 4.640 -0.000 0.000 0.220 174 D C -1.488 174.837 176.300 0.041 0.000 1.103 174 D CA -2.476 51.546 54.000 0.037 0.000 0.886 174 D CB 1.291 42.113 40.800 0.037 0.000 1.025 174 D HN 0.176 nan 8.370 nan 0.000 0.514 175 P HA -0.244 nan 4.420 nan 0.000 0.217 175 P C 1.056 178.380 177.300 0.040 0.000 1.151 175 P CA 1.133 64.255 63.100 0.037 0.000 0.849 175 P CB 0.177 31.897 31.700 0.034 0.000 0.787 176 A N -0.210 122.632 122.820 0.037 0.000 2.172 176 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 176 A C 1.999 179.600 177.584 0.029 0.000 1.154 176 A CA 1.417 53.472 52.037 0.029 0.000 0.701 176 A CB -0.911 18.104 19.000 0.025 0.000 0.789 176 A HN 0.295 nan 8.150 nan 0.000 0.465 177 A N -1.238 121.603 122.820 0.036 0.000 2.631 177 A HA 0.629 4.949 4.320 -0.000 0.000 0.294 177 A C 0.167 177.781 177.584 0.049 0.000 1.156 177 A CA -0.250 51.810 52.037 0.038 0.000 0.963 177 A CB -0.218 18.805 19.000 0.038 0.000 1.202 177 A HN 0.470 nan 8.150 nan 0.000 0.523 178 M N 1.077 120.706 119.600 0.048 0.000 2.311 178 M HA 0.631 5.111 4.480 -0.000 0.000 0.325 178 M C -2.055 174.268 176.300 0.037 0.000 1.061 178 M CA -0.517 54.816 55.300 0.054 0.000 0.957 178 M CB 1.882 34.520 32.600 0.063 0.000 1.646 178 M HN -0.034 nan 8.290 nan 0.000 0.434 179 V N 5.034 124.970 119.914 0.036 0.000 2.577 179 V HA 0.406 4.526 4.120 -0.000 0.000 0.303 179 V C -1.034 175.061 176.094 0.001 0.000 1.042 179 V CA -0.687 61.625 62.300 0.019 0.000 0.872 179 V CB 1.878 33.716 31.823 0.026 0.000 0.998 179 V HN 0.881 nan 8.190 nan 0.000 0.423 180 Q N 4.464 124.244 119.800 -0.033 0.000 2.331 180 Q HA 0.842 5.182 4.340 -0.000 0.000 0.267 180 Q C -1.496 174.429 176.000 -0.124 0.000 1.006 180 Q CA -0.763 54.973 55.803 -0.112 0.000 0.818 180 Q CB 2.511 31.160 28.738 -0.147 0.000 1.276 180 Q HN 0.576 nan 8.270 nan 0.000 0.450 181 I N 1.625 122.097 120.570 -0.164 0.000 2.493 181 I HA 0.627 4.797 4.170 -0.000 0.000 0.298 181 I C 0.960 176.936 176.117 -0.235 0.000 0.998 181 I CA -0.072 61.137 61.300 -0.151 0.000 1.137 181 I CB 2.006 39.931 38.000 -0.124 0.000 1.310 181 I HN 0.968 nan 8.210 nan 0.000 0.445 182 G N 4.778 113.454 108.800 -0.206 0.000 2.201 182 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.212 182 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.212 182 G C 0.280 175.064 174.900 -0.193 0.000 0.994 182 G CA -0.733 44.228 45.100 -0.233 0.000 0.644 182 G HN 0.418 nan 8.290 nan 0.000 0.508 183 I N 2.202 122.671 120.570 -0.169 0.000 2.906 183 I HA 0.260 4.430 4.170 -0.000 0.000 0.302 183 I C 1.111 177.148 176.117 -0.134 0.000 1.220 183 I CA 1.149 62.357 61.300 -0.152 0.000 1.441 183 I CB -0.564 37.378 38.000 -0.097 0.000 1.336 183 I HN 0.736 nan 8.210 nan 0.000 0.565 184 R N 3.435 123.835 120.500 -0.167 0.000 2.756 184 R HA 0.705 5.045 4.340 -0.000 0.000 0.273 184 R C 0.201 176.390 176.300 -0.185 0.000 1.030 184 R CA -0.318 55.690 56.100 -0.154 0.000 0.887 184 R CB 0.632 30.849 30.300 -0.139 0.000 1.274 184 R HN 0.725 nan 8.270 nan 0.000 0.461 185 G N -0.005 108.655 108.800 -0.234 0.000 2.588 185 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.273 185 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.273 185 G C -0.986 173.536 174.900 -0.631 0.000 1.211 185 G CA 0.181 45.064 45.100 -0.362 0.000 0.958 185 G HN 0.852 nan 8.290 nan 0.000 0.543 186 H N 1.145 120.230 119.070 0.024 0.000 2.771 186 H HA 0.469 5.026 4.556 0.000 0.000 0.361 186 H C -0.161 175.197 175.328 0.050 0.000 1.108 186 H CA -0.530 55.535 56.048 0.029 0.000 1.201 186 H CB 1.094 30.867 29.762 0.018 0.000 1.681 186 H HN 0.556 nan 8.280 nan 0.000 0.534 187 N N 3.094 121.879 118.700 0.141 0.000 2.515 187 N HA 0.090 4.830 4.740 -0.000 0.000 0.279 187 N C -1.206 174.365 175.510 0.102 0.000 1.164 187 N CA -1.428 51.687 53.050 0.108 0.000 0.982 187 N CB 1.567 40.102 38.487 0.080 0.000 1.170 187 N HN 0.435 nan 8.380 nan 0.000 0.474 188 P HA -0.061 nan 4.420 nan 0.000 0.220 188 P C -0.245 177.083 177.300 0.046 0.000 1.148 188 P CA 1.558 64.691 63.100 0.055 0.000 0.803 188 P CB 0.260 31.991 31.700 0.051 0.000 0.782 189 K N 0.170 120.602 120.400 0.053 0.000 2.477 189 K HA 0.458 4.778 4.320 -0.000 0.000 0.255 189 K C -2.519 174.112 176.600 0.052 0.000 0.952 189 K CA -1.555 54.759 56.287 0.045 0.000 0.826 189 K CB 0.383 32.908 32.500 0.041 0.000 1.331 189 K HN -0.202 nan 8.250 nan 0.000 0.437 190 P HA -0.059 nan 4.420 nan 0.000 0.225 190 P C 0.498 177.825 177.300 0.045 0.000 1.148 190 P CA 1.939 65.066 63.100 0.045 0.000 0.779 190 P CB -0.045 31.677 31.700 0.037 0.000 0.780 191 D N -0.887 119.542 120.400 0.049 0.000 2.559 191 D HA 0.242 4.882 4.640 -0.000 0.000 0.234 191 D C 1.524 177.868 176.300 0.072 0.000 1.226 191 D CA -0.166 53.867 54.000 0.055 0.000 0.830 191 D CB -0.498 40.331 40.800 0.050 0.000 1.028 191 D HN -0.039 nan 8.370 nan 0.000 0.492 192 S N -0.143 115.601 115.700 0.073 0.000 2.423 192 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 192 S C 1.889 176.559 174.600 0.116 0.000 1.014 192 S CA 0.434 58.687 58.200 0.088 0.000 0.965 192 S CB -0.042 63.206 63.200 0.081 0.000 0.785 192 S HN 0.634 nan 8.310 nan 0.000 0.495 193 L N 0.780 122.064 121.223 0.102 0.000 2.567 193 L HA 0.079 4.419 4.340 -0.000 0.000 0.225 193 L C 1.389 178.330 176.870 0.119 0.000 1.119 193 L CA 0.224 55.130 54.840 0.112 0.000 0.871 193 L CB -0.345 41.758 42.059 0.072 0.000 1.036 193 L HN 0.099 nan 8.230 nan 0.000 0.459 194 D N -0.077 120.390 120.400 0.112 0.000 2.149 194 D HA -0.260 4.380 4.640 -0.000 0.000 0.198 194 D C 1.753 178.123 176.300 0.116 0.000 0.990 194 D CA 1.320 55.374 54.000 0.090 0.000 0.839 194 D CB -0.117 40.730 40.800 0.078 0.000 0.948 194 D HN 0.303 nan 8.370 nan 0.000 0.460 195 Y N 1.429 121.771 120.300 0.071 0.000 2.049 195 Y HA -0.261 4.289 4.550 0.000 0.000 0.277 195 Y C 2.298 178.314 175.900 0.192 0.000 1.143 195 Y CA 2.226 60.402 58.100 0.126 0.000 1.115 195 Y CB -0.630 37.906 38.460 0.127 0.000 0.975 195 Y HN -0.040 nan 8.280 nan 0.000 0.487 196 A N 0.744 123.685 122.820 0.201 0.000 1.883 196 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 196 A C 2.305 179.900 177.584 0.017 0.000 1.186 196 A CA 2.132 54.221 52.037 0.087 0.000 0.624 196 A CB -0.753 18.353 19.000 0.176 0.000 0.822 196 A HN 0.602 nan 8.150 nan 0.000 0.444 197 R N -1.112 119.405 120.500 0.028 0.000 2.092 197 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 197 R C 2.365 178.642 176.300 -0.039 0.000 1.119 197 R CA 0.991 57.094 56.100 0.004 0.000 0.970 197 R CB -0.591 29.718 30.300 0.014 0.000 0.864 197 R HN 0.542 nan 8.270 nan 0.000 0.440 198 G N -0.339 108.411 108.800 -0.084 0.000 2.448 198 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 198 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 198 G C 0.785 175.530 174.900 -0.258 0.000 1.127 198 G CA 0.770 45.768 45.100 -0.170 0.000 0.766 198 G HN 0.410 nan 8.290 nan 0.000 0.552 199 H N -0.700 118.251 119.070 -0.199 0.000 2.539 199 H HA 0.334 4.890 4.556 -0.000 0.000 0.267 199 H C 1.998 177.265 175.328 -0.101 0.000 0.982 199 H CA 0.535 56.471 56.048 -0.186 0.000 1.146 199 H CB 0.468 30.048 29.762 -0.304 0.000 1.382 199 H HN 0.414 nan 8.280 nan 0.000 0.577 200 G N 0.175 108.981 108.800 0.009 0.000 2.141 200 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.231 200 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.231 200 G C -0.023 174.890 174.900 0.022 0.000 0.984 200 G CA 0.151 45.258 45.100 0.012 0.000 0.660 200 G HN 0.204 nan 8.290 nan 0.000 0.525 201 V N 0.979 120.909 119.914 0.028 0.000 2.572 201 V HA 0.443 4.563 4.120 -0.000 0.000 0.291 201 V C 1.091 177.198 176.094 0.022 0.000 1.039 201 V CA -0.142 62.176 62.300 0.030 0.000 1.055 201 V CB 1.266 33.113 31.823 0.040 0.000 0.969 201 V HN 0.475 nan 8.190 nan 0.000 0.482 202 R N 4.712 125.224 120.500 0.019 0.000 2.210 202 R HA 0.392 4.732 4.340 -0.000 0.000 0.338 202 R C -1.050 175.256 176.300 0.010 0.000 1.062 202 R CA -0.036 56.073 56.100 0.014 0.000 0.902 202 R CB 0.604 30.913 30.300 0.015 0.000 1.050 202 R HN 0.509 nan 8.270 nan 0.000 0.461 203 V N 6.057 125.976 119.914 0.008 0.000 2.370 203 V HA 0.323 4.443 4.120 -0.000 0.000 0.279 203 V C -0.446 175.648 176.094 -0.000 0.000 1.029 203 V CA -0.744 61.555 62.300 -0.001 0.000 0.870 203 V CB 1.704 33.530 31.823 0.005 0.000 0.984 203 V HN 0.498 nan 8.190 nan 0.000 0.451 204 V N 5.005 124.916 119.914 -0.006 0.000 2.293 204 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 204 V C 0.689 176.785 176.094 0.004 0.000 1.021 204 V CA -0.507 61.803 62.300 0.017 0.000 0.815 204 V CB 1.550 33.403 31.823 0.051 0.000 1.025 204 V HN 1.032 nan 8.190 nan 0.000 0.448 205 T N 2.203 116.760 114.554 0.005 0.000 2.802 205 T HA 0.384 4.734 4.350 -0.000 0.000 0.305 205 T C 1.560 176.272 174.700 0.021 0.000 1.053 205 T CA 0.227 62.319 62.100 -0.013 0.000 1.058 205 T CB 1.437 70.296 68.868 -0.015 0.000 0.988 205 T HN 0.702 nan 8.240 nan 0.000 0.539 206 A N 1.166 123.978 122.820 -0.013 0.000 1.940 206 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 206 A C 2.050 179.693 177.584 0.097 0.000 1.176 206 A CA 1.805 53.857 52.037 0.025 0.000 0.631 206 A CB -0.982 17.997 19.000 -0.034 0.000 0.814 206 A HN 0.916 nan 8.150 nan 0.000 0.446 207 D N -0.698 119.728 120.400 0.042 0.000 2.084 207 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 207 D C 1.921 178.245 176.300 0.041 0.000 0.990 207 D CA 1.578 55.598 54.000 0.034 0.000 0.826 207 D CB -0.433 40.370 40.800 0.006 0.000 0.971 207 D HN 0.735 nan 8.370 nan 0.000 0.453 208 E N -0.455 119.770 120.200 0.042 0.000 2.110 208 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 208 E C 2.014 178.635 176.600 0.035 0.000 0.988 208 E CA 0.422 56.838 56.400 0.027 0.000 0.804 208 E CB -0.221 29.494 29.700 0.026 0.000 0.745 208 E HN 0.197 nan 8.360 nan 0.000 0.458 209 F N 0.898 120.825 119.950 -0.039 0.000 2.161 209 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 209 F C 1.933 177.712 175.800 -0.036 0.000 1.089 209 F CA 1.945 59.920 58.000 -0.041 0.000 1.282 209 F CB -0.623 38.347 39.000 -0.051 0.000 1.010 209 F HN 0.055 nan 8.300 nan 0.000 0.485 210 G N -0.641 108.125 108.800 -0.058 0.000 2.408 210 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 210 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 210 G C 1.535 176.329 174.900 -0.177 0.000 1.150 210 G CA 1.077 46.098 45.100 -0.131 0.000 0.776 210 G HN 0.520 nan 8.290 nan 0.000 0.542 211 E N 0.850 120.975 120.200 -0.125 0.000 2.046 211 E HA 0.157 4.507 4.350 -0.000 0.000 0.190 211 E C 2.402 178.915 176.600 -0.146 0.000 0.982 211 E CA 0.865 57.201 56.400 -0.106 0.000 0.800 211 E CB -0.521 29.143 29.700 -0.061 0.000 0.756 211 E HN 0.406 nan 8.360 nan 0.000 0.449 212 L N -0.755 120.361 121.223 -0.178 0.000 2.093 212 L HA 0.249 4.589 4.340 -0.000 0.000 0.208 212 L C 1.720 178.428 176.870 -0.269 0.000 1.085 212 L CA 0.750 55.480 54.840 -0.184 0.000 0.755 212 L CB -0.664 41.310 42.059 -0.142 0.000 0.904 212 L HN 0.710 nan 8.230 nan 0.000 0.435 213 G N -1.277 107.232 108.800 -0.485 0.000 2.795 213 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.664 213 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.664 213 G C 0.332 174.913 174.900 -0.533 0.000 1.381 213 G CA -0.442 44.348 45.100 -0.518 0.000 0.853 213 G HN -0.151 nan 8.290 nan 0.000 0.545 214 V N 1.515 121.234 119.914 -0.325 0.000 2.261 214 V HA -0.036 4.084 4.120 -0.000 0.000 0.246 214 V C 3.232 179.309 176.094 -0.028 0.000 1.047 214 V CA 3.453 65.717 62.300 -0.059 0.000 1.015 214 V CB -1.299 30.547 31.823 0.038 0.000 0.642 214 V HN 1.587 nan 8.190 nan 0.000 0.446 215 G N -0.008 108.758 108.800 -0.055 0.000 2.446 215 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 215 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 215 G C 1.655 176.533 174.900 -0.036 0.000 1.168 215 G CA 1.010 46.090 45.100 -0.034 0.000 0.771 215 G HN 0.593 nan 8.290 nan 0.000 0.551 216 G N 0.136 108.894 108.800 -0.069 0.000 2.440 216 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 216 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 216 G C 1.853 176.736 174.900 -0.030 0.000 1.154 216 G CA 1.806 46.871 45.100 -0.059 0.000 0.767 216 G HN 0.402 nan 8.290 nan 0.000 0.552 217 T N 1.510 116.051 114.554 -0.022 0.000 2.821 217 T HA 0.097 4.447 4.350 -0.000 0.000 0.267 217 T C 2.798 177.534 174.700 0.060 0.000 1.046 217 T CA 1.315 63.449 62.100 0.057 0.000 1.139 217 T CB -0.288 68.700 68.868 0.201 0.000 0.871 217 T HN 0.377 nan 8.240 nan 0.000 0.454 218 A N 2.052 124.901 122.820 0.048 0.000 1.902 218 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 218 A C 2.120 179.718 177.584 0.022 0.000 1.181 218 A CA 1.605 53.666 52.037 0.039 0.000 0.623 218 A CB -0.566 18.453 19.000 0.031 0.000 0.818 218 A HN 0.336 nan 8.150 nan 0.000 0.443 219 D N -0.394 120.013 120.400 0.011 0.000 2.117 219 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 219 D C 1.859 178.165 176.300 0.009 0.000 0.987 219 D CA 1.288 55.291 54.000 0.005 0.000 0.829 219 D CB -0.410 40.387 40.800 -0.004 0.000 0.961 219 D HN 0.348 nan 8.370 nan 0.000 0.460 220 L N 1.087 122.317 121.223 0.012 0.000 2.042 220 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 220 L C 2.126 179.008 176.870 0.021 0.000 1.076 220 L CA 1.318 56.167 54.840 0.016 0.000 0.749 220 L CB -0.546 41.525 42.059 0.020 0.000 0.893 220 L HN -0.013 nan 8.230 nan 0.000 0.432 221 I N -0.891 119.695 120.570 0.028 0.000 2.142 221 I HA -0.300 3.870 4.170 -0.000 0.000 0.240 221 I C 2.669 178.799 176.117 0.022 0.000 1.078 221 I CA 1.249 62.567 61.300 0.030 0.000 1.343 221 I CB -0.366 37.656 38.000 0.036 0.000 1.046 221 I HN 0.227 nan 8.210 nan 0.000 0.405 222 R N 0.643 121.153 120.500 0.017 0.000 2.091 222 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 222 R C 2.576 178.881 176.300 0.009 0.000 1.136 222 R CA 2.071 58.177 56.100 0.010 0.000 0.959 222 R CB -0.629 29.674 30.300 0.005 0.000 0.856 222 R HN 0.512 nan 8.270 nan 0.000 0.437 223 E N 1.075 121.280 120.200 0.009 0.000 2.072 223 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 223 E C 2.067 178.674 176.600 0.011 0.000 0.985 223 E CA 1.815 58.220 56.400 0.008 0.000 0.801 223 E CB -0.666 29.038 29.700 0.006 0.000 0.750 223 E HN 0.576 nan 8.360 nan 0.000 0.452 224 K N 0.206 120.615 120.400 0.015 0.000 2.228 224 K HA 0.320 4.640 4.320 -0.000 0.000 0.202 224 K C 2.358 178.971 176.600 0.022 0.000 1.051 224 K CA 1.099 57.397 56.287 0.018 0.000 0.960 224 K CB -0.397 32.116 32.500 0.021 0.000 0.743 224 K HN 0.334 nan 8.250 nan 0.000 0.458 225 V N -0.659 119.268 119.914 0.022 0.000 2.685 225 V HA 0.253 4.373 4.120 -0.000 0.000 0.244 225 V C 1.936 178.040 176.094 0.016 0.000 1.054 225 V CA 0.737 63.052 62.300 0.024 0.000 1.076 225 V CB -0.421 31.418 31.823 0.027 0.000 0.725 225 V HN 0.906 nan 8.190 nan 0.000 0.467 226 G N 0.690 109.496 108.800 0.011 0.000 2.583 226 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.292 226 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.292 226 G C 0.347 175.248 174.900 0.001 0.000 1.203 226 G CA 0.568 45.672 45.100 0.006 0.000 0.987 226 G HN 0.350 nan 8.290 nan 0.000 0.554 227 Q N 1.135 120.936 119.800 0.002 0.000 2.179 227 Q HA 0.417 4.757 4.340 -0.000 0.000 0.213 227 Q C 1.599 177.601 176.000 0.003 0.000 0.833 227 Q CA 0.920 56.721 55.803 -0.002 0.000 0.990 227 Q CB 0.307 29.044 28.738 -0.002 0.000 1.132 227 Q HN 1.021 nan 8.270 nan 0.000 0.493 228 R N 2.883 123.388 120.500 0.009 0.000 2.694 228 R HA 0.251 4.591 4.340 -0.000 0.000 0.268 228 R C -2.331 173.970 176.300 0.002 0.000 1.061 228 R CA -1.077 55.031 56.100 0.014 0.000 1.133 228 R CB -1.689 28.624 30.300 0.021 0.000 1.020 228 R HN 0.030 nan 8.270 nan 0.000 0.475 229 P HA 0.181 nan 4.420 nan 0.000 0.267 229 P C -0.786 176.490 177.300 -0.040 0.000 1.209 229 P CA 0.020 63.083 63.100 -0.062 0.000 0.763 229 P CB 1.117 32.755 31.700 -0.103 0.000 0.816 230 V N 5.511 125.399 119.914 -0.043 0.000 2.628 230 V HA 0.415 4.535 4.120 -0.000 0.000 0.306 230 V C -1.426 174.682 176.094 0.024 0.000 1.045 230 V CA -1.040 61.270 62.300 0.017 0.000 0.905 230 V CB 1.751 33.592 31.823 0.030 0.000 0.997 230 V HN 0.443 nan 8.190 nan 0.000 0.436 231 Y N 4.945 125.235 120.300 -0.016 0.000 2.331 231 Y HA 0.656 5.206 4.550 -0.000 0.000 0.338 231 Y C -0.367 175.603 175.900 0.117 0.000 0.992 231 Y CA -0.501 57.598 58.100 -0.002 0.000 1.121 231 Y CB 1.813 40.285 38.460 0.019 0.000 1.184 231 Y HN 0.444 nan 8.280 nan 0.000 0.469 232 V N 5.750 125.543 119.914 -0.202 0.000 2.311 232 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 232 V C -0.222 175.901 176.094 0.049 0.000 1.022 232 V CA -0.530 61.801 62.300 0.053 0.000 0.830 232 V CB 0.961 32.889 31.823 0.176 0.000 1.012 232 V HN 0.780 nan 8.190 nan 0.000 0.452 233 S N 4.670 120.553 115.700 0.305 0.000 2.433 233 S HA 0.675 5.145 4.470 -0.000 0.000 0.310 233 S C -0.641 174.222 174.600 0.437 0.000 1.097 233 S CA -0.436 58.054 58.200 0.482 0.000 1.103 233 S CB 1.140 64.857 63.200 0.861 0.000 0.992 233 S HN 0.467 nan 8.310 nan 0.000 0.469 234 V N 5.378 125.454 119.914 0.270 0.000 2.409 234 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 234 V C -0.212 175.910 176.094 0.046 0.000 1.020 234 V CA -0.951 61.443 62.300 0.157 0.000 0.848 234 V CB 1.675 33.533 31.823 0.059 0.000 0.990 234 V HN 0.836 nan 8.190 nan 0.000 0.430 235 D N 3.497 123.933 120.400 0.061 0.000 2.280 235 D HA 0.191 4.831 4.640 -0.000 0.000 0.243 235 D C 0.851 177.153 176.300 0.004 0.000 1.129 235 D CA -0.398 53.573 54.000 -0.048 0.000 0.848 235 D CB 1.811 42.699 40.800 0.147 0.000 1.107 235 D HN 0.410 nan 8.370 nan 0.000 0.471 236 I N 3.612 124.183 120.570 0.001 0.000 2.423 236 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 236 I C 1.411 177.549 176.117 0.034 0.000 1.151 236 I CA 1.355 62.669 61.300 0.023 0.000 1.421 236 I CB -0.184 37.842 38.000 0.042 0.000 1.079 236 I HN 0.450 nan 8.210 nan 0.000 0.431 237 D N -0.722 119.711 120.400 0.054 0.000 2.371 237 D HA -0.115 4.525 4.640 -0.000 0.000 0.234 237 D C 1.982 178.279 176.300 -0.005 0.000 1.049 237 D CA 0.573 54.608 54.000 0.059 0.000 0.907 237 D CB -0.837 40.042 40.800 0.131 0.000 0.891 237 D HN 0.265 nan 8.370 nan 0.000 0.531 238 V N 0.316 120.208 119.914 -0.037 0.000 2.548 238 V HA -0.068 4.052 4.120 -0.000 0.000 0.249 238 V C 1.104 177.131 176.094 -0.112 0.000 1.055 238 V CA 1.238 63.471 62.300 -0.111 0.000 1.065 238 V CB 0.024 31.766 31.823 -0.136 0.000 0.681 238 V HN 0.315 nan 8.190 nan 0.000 0.462 239 V N -0.605 119.271 119.914 -0.063 0.000 2.834 239 V HA 0.364 4.484 4.120 -0.000 0.000 0.301 239 V C 0.398 176.530 176.094 0.063 0.000 1.066 239 V CA -0.957 61.317 62.300 -0.043 0.000 1.052 239 V CB 1.039 32.840 31.823 -0.035 0.000 1.021 239 V HN 0.404 nan 8.190 nan 0.000 0.480 240 D N 3.525 124.013 120.400 0.147 0.000 2.506 240 D HA 0.072 4.712 4.640 -0.000 0.000 0.234 240 D C -1.648 174.774 176.300 0.202 0.000 1.143 240 D CA -0.817 53.302 54.000 0.199 0.000 0.871 240 D CB 1.773 42.751 40.800 0.297 0.000 1.190 240 D HN 0.436 nan 8.370 nan 0.000 0.459 241 P HA -0.156 nan 4.420 nan 0.000 0.220 241 P C 0.785 178.104 177.300 0.031 0.000 1.144 241 P CA 1.531 64.674 63.100 0.071 0.000 0.800 241 P CB 0.127 31.856 31.700 0.049 0.000 0.772 242 A N -1.546 121.257 122.820 -0.027 0.000 1.933 242 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 242 A C 1.723 179.108 177.584 -0.331 0.000 1.175 242 A CA 1.483 53.381 52.037 -0.232 0.000 0.628 242 A CB -1.600 17.149 19.000 -0.417 0.000 0.814 242 A HN 0.150 nan 8.150 nan 0.000 0.444 243 F N -0.956 119.002 119.950 0.012 0.000 2.569 243 F HA 0.394 4.920 4.527 -0.000 0.000 0.295 243 F C 1.414 177.224 175.800 0.017 0.000 1.115 243 F CA 0.753 58.759 58.000 0.011 0.000 1.450 243 F CB 0.232 39.233 39.000 0.002 0.000 1.107 243 F HN 0.186 nan 8.300 nan 0.000 0.563 244 A N 0.688 123.615 122.820 0.177 0.000 3.317 244 A HA 0.390 4.710 4.320 -0.000 0.000 0.307 244 A C -1.888 175.753 177.584 0.096 0.000 1.003 244 A CA -0.847 51.264 52.037 0.123 0.000 0.882 244 A CB -0.154 18.915 19.000 0.116 0.000 1.136 244 A HN -0.057 nan 8.150 nan 0.000 0.488 245 P HA -0.048 nan 4.420 nan 0.000 0.223 245 P C 1.026 178.401 177.300 0.126 0.000 1.151 245 P CA 1.130 64.282 63.100 0.087 0.000 0.787 245 P CB 0.133 31.874 31.700 0.069 0.000 0.788 246 G N -0.122 108.756 108.800 0.131 0.000 3.101 246 G HA2 0.289 4.248 3.960 -0.000 0.000 0.272 246 G HA3 0.289 4.248 3.960 -0.000 0.000 0.272 246 G C -0.440 174.545 174.900 0.142 0.000 0.801 246 G CA 0.181 45.384 45.100 0.172 0.000 1.978 246 G HN 0.213 nan 8.290 nan 0.000 0.591 247 T N -0.677 113.936 114.554 0.098 0.000 2.853 247 T HA 0.515 4.865 4.350 -0.000 0.000 0.311 247 T C 1.450 176.131 174.700 -0.032 0.000 1.307 247 T CA 0.385 62.523 62.100 0.062 0.000 1.019 247 T CB 1.327 70.242 68.868 0.077 0.000 1.264 247 T HN 0.227 nan 8.240 nan 0.000 0.497 248 G N 0.915 109.723 108.800 0.013 0.000 2.422 248 G HA2 0.088 4.048 3.960 -0.000 0.000 0.218 248 G HA3 0.088 4.048 3.960 -0.000 0.000 0.218 248 G C 0.680 175.612 174.900 0.054 0.000 1.140 248 G CA 1.256 46.354 45.100 -0.003 0.000 0.775 248 G HN 1.039 nan 8.290 nan 0.000 0.545 249 T N -0.470 114.131 114.554 0.077 0.000 3.410 249 T HA 0.560 4.910 4.350 -0.000 0.000 0.328 249 T C -3.039 171.731 174.700 0.117 0.000 1.567 249 T CA -1.780 60.355 62.100 0.057 0.000 1.626 249 T CB 2.145 70.987 68.868 -0.043 0.000 0.939 249 T HN -0.103 nan 8.240 nan 0.000 0.656 250 P HA 0.455 nan 4.420 nan 0.000 0.267 250 P C -0.623 176.725 177.300 0.080 0.000 1.200 250 P CA -0.210 62.933 63.100 0.072 0.000 0.772 250 P CB 0.447 32.174 31.700 0.045 0.000 0.855 251 A N 3.813 126.666 122.820 0.055 0.000 2.522 251 A HA 0.569 4.889 4.320 -0.000 0.000 0.285 251 A C -2.669 174.918 177.584 0.005 0.000 1.198 251 A CA -1.661 50.390 52.037 0.023 0.000 0.742 251 A CB 0.428 19.395 19.000 -0.056 0.000 1.176 251 A HN 0.308 nan 8.150 nan 0.000 0.444 252 P HA 0.256 nan 4.420 nan 0.000 0.269 252 P C 1.058 178.363 177.300 0.008 0.000 1.211 252 P CA 1.964 65.077 63.100 0.022 0.000 0.781 252 P CB 0.551 32.267 31.700 0.028 0.000 0.877 253 G N 0.508 109.322 108.800 0.024 0.000 2.225 253 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.264 253 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.264 253 G C 0.511 175.417 174.900 0.010 0.000 1.060 253 G CA -0.220 44.892 45.100 0.021 0.000 0.833 253 G HN 0.859 nan 8.290 nan 0.000 0.498 254 G N -1.388 107.427 108.800 0.025 0.000 2.557 254 G HA2 0.741 4.701 3.960 -0.000 0.000 0.302 254 G HA3 0.741 4.701 3.960 -0.000 0.000 0.302 254 G C 0.229 175.122 174.900 -0.011 0.000 1.311 254 G CA -1.002 44.091 45.100 -0.011 0.000 1.030 254 G HN 0.511 nan 8.290 nan 0.000 0.509 255 L N -0.595 120.567 121.223 -0.101 0.000 2.464 255 L HA 0.277 4.617 4.340 -0.000 0.000 0.264 255 L C 0.736 177.453 176.870 -0.255 0.000 1.199 255 L CA 0.108 54.851 54.840 -0.162 0.000 0.818 255 L CB 0.589 42.453 42.059 -0.324 0.000 1.102 255 L HN 0.255 nan 8.230 nan 0.000 0.473 256 L N 0.524 121.547 121.223 -0.334 0.000 2.418 256 L HA 0.230 4.570 4.340 -0.000 0.000 0.265 256 L C 1.530 177.950 176.870 -0.750 0.000 1.143 256 L CA -0.258 54.109 54.840 -0.788 0.000 0.809 256 L CB 0.789 42.596 42.059 -0.420 0.000 1.124 256 L HN 0.681 nan 8.230 nan 0.000 0.456 257 S N 0.821 115.861 115.700 -1.100 0.000 2.365 257 S HA -0.205 4.265 4.470 -0.000 0.000 0.225 257 S C 1.892 176.335 174.600 -0.262 0.000 1.039 257 S CA 1.915 59.828 58.200 -0.479 0.000 1.033 257 S CB -0.278 62.769 63.200 -0.254 0.000 0.887 257 S HN 0.725 nan 8.310 nan 0.000 0.447 258 R N 1.517 121.881 120.500 -0.227 0.000 2.120 258 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 258 R C 1.727 177.980 176.300 -0.078 0.000 1.123 258 R CA 1.659 57.693 56.100 -0.110 0.000 0.975 258 R CB -0.595 29.664 30.300 -0.069 0.000 0.866 258 R HN 0.447 nan 8.270 nan 0.000 0.446 259 E N 1.036 121.181 120.200 -0.091 0.000 2.051 259 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 259 E C 2.171 178.758 176.600 -0.022 0.000 0.991 259 E CA 1.503 57.912 56.400 0.016 0.000 0.799 259 E CB -0.034 29.720 29.700 0.090 0.000 0.748 259 E HN 0.159 nan 8.360 nan 0.000 0.449 260 V N 1.595 121.431 119.914 -0.130 0.000 2.307 260 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 260 V C 2.331 178.382 176.094 -0.072 0.000 1.045 260 V CA 1.422 63.640 62.300 -0.136 0.000 1.024 260 V CB -0.401 31.324 31.823 -0.163 0.000 0.651 260 V HN 0.246 nan 8.190 nan 0.000 0.449 261 L N 0.012 121.196 121.223 -0.066 0.000 2.046 261 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 261 L C 2.721 179.579 176.870 -0.019 0.000 1.077 261 L CA 1.599 56.414 54.840 -0.042 0.000 0.747 261 L CB -0.807 41.225 42.059 -0.046 0.000 0.896 261 L HN 0.365 nan 8.230 nan 0.000 0.432 262 A N -0.029 122.785 122.820 -0.010 0.000 1.902 262 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 262 A C 2.207 179.809 177.584 0.029 0.000 1.181 262 A CA 1.607 53.651 52.037 0.011 0.000 0.623 262 A CB -0.687 18.324 19.000 0.020 0.000 0.818 262 A HN 0.315 nan 8.150 nan 0.000 0.443 263 L N -0.024 121.225 121.223 0.044 0.000 2.012 263 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 263 L C 2.154 179.044 176.870 0.034 0.000 1.073 263 L CA 1.705 56.582 54.840 0.061 0.000 0.748 263 L CB -0.540 41.561 42.059 0.069 0.000 0.891 263 L HN 0.402 nan 8.230 nan 0.000 0.431 264 L N -0.470 120.760 121.223 0.012 0.000 2.447 264 L HA -0.228 4.112 4.340 -0.000 0.000 0.225 264 L C 2.976 179.862 176.870 0.027 0.000 1.148 264 L CA 1.066 55.913 54.840 0.012 0.000 0.808 264 L CB -0.935 41.118 42.059 -0.010 0.000 0.928 264 L HN 0.410 nan 8.230 nan 0.000 0.448 265 R N 0.269 120.788 120.500 0.033 0.000 2.152 265 R HA -0.203 4.137 4.340 -0.000 0.000 0.232 265 R C 2.201 178.523 176.300 0.037 0.000 1.117 265 R CA 1.592 57.720 56.100 0.047 0.000 0.981 265 R CB -2.210 28.116 30.300 0.044 0.000 0.870 265 R HN 0.784 nan 8.270 nan 0.000 0.451 266 C N -1.261 118.056 119.300 0.030 0.000 2.449 266 C HA 0.136 4.596 4.460 -0.000 0.000 0.283 266 C C 2.250 177.248 174.990 0.013 0.000 1.453 266 C CA 0.341 59.371 59.018 0.020 0.000 1.779 266 C CB -1.145 26.609 27.740 0.025 0.000 1.779 266 C HN 0.349 nan 8.230 nan 0.000 0.546 267 V N 2.242 122.170 119.914 0.024 0.000 2.490 267 V HA -0.050 4.070 4.120 -0.000 0.000 0.250 267 V C 2.958 179.044 176.094 -0.014 0.000 1.061 267 V CA 2.287 64.605 62.300 0.029 0.000 1.064 267 V CB -1.443 30.422 31.823 0.070 0.000 0.670 267 V HN 0.713 nan 8.190 nan 0.000 0.461 268 G N -0.505 108.276 108.800 -0.031 0.000 2.498 268 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 268 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 268 G C 0.977 175.813 174.900 -0.106 0.000 1.119 268 G CA 0.749 45.792 45.100 -0.095 0.000 0.766 268 G HN 0.544 nan 8.290 nan 0.000 0.552 269 D N -0.114 120.248 120.400 -0.063 0.000 2.328 269 D HA 0.209 4.849 4.640 -0.000 0.000 0.221 269 D C 1.115 177.378 176.300 -0.062 0.000 1.072 269 D CA 0.123 54.088 54.000 -0.058 0.000 0.850 269 D CB 0.677 41.460 40.800 -0.029 0.000 0.922 269 D HN 0.297 nan 8.370 nan 0.000 0.516 270 L N -0.482 120.694 121.223 -0.077 0.000 2.343 270 L HA 0.600 4.940 4.340 -0.000 0.000 0.264 270 L C 0.784 177.581 176.870 -0.121 0.000 1.050 270 L CA -1.051 53.749 54.840 -0.067 0.000 0.956 270 L CB 0.613 42.655 42.059 -0.028 0.000 1.576 270 L HN -0.378 nan 8.230 nan 0.000 0.521 271 K N 1.437 121.786 120.400 -0.084 0.000 2.682 271 K HA 0.431 4.751 4.320 -0.000 0.000 0.189 271 K C -2.736 173.827 176.600 -0.062 0.000 1.062 271 K CA -1.629 54.609 56.287 -0.082 0.000 0.997 271 K CB -0.295 32.196 32.500 -0.015 0.000 1.405 271 K HN 0.342 nan 8.250 nan 0.000 0.588 272 P HA 0.074 nan 4.420 nan 0.000 0.271 272 P C 0.540 177.791 177.300 -0.081 0.000 1.220 272 P CA 0.084 63.147 63.100 -0.063 0.000 0.768 272 P CB 1.483 33.233 31.700 0.085 0.000 0.848 273 V N 0.172 119.929 119.914 -0.262 0.000 3.346 273 V HA 0.663 4.783 4.120 -0.000 0.000 0.309 273 V C 0.477 176.285 176.094 -0.477 0.000 1.457 273 V CA 0.207 62.306 62.300 -0.336 0.000 1.069 273 V CB -0.053 31.369 31.823 -0.669 0.000 0.944 273 V HN 0.783 nan 8.190 nan 0.000 0.449 274 G N 0.659 108.989 108.800 -0.785 0.000 2.376 274 G HA2 0.542 4.502 3.960 -0.000 0.000 0.302 274 G HA3 0.542 4.502 3.960 -0.000 0.000 0.302 274 G C -1.528 172.559 174.900 -1.355 0.000 1.586 274 G CA -0.235 44.237 45.100 -1.046 0.000 0.907 274 G HN 0.637 nan 8.290 nan 0.000 0.655 275 F N -0.396 119.183 119.950 -0.618 0.000 2.713 275 F HA 0.860 5.387 4.527 -0.000 0.000 0.311 275 F C -0.965 174.726 175.800 -0.183 0.000 1.141 275 F CA -1.604 56.035 58.000 -0.601 0.000 0.939 275 F CB 1.687 40.516 39.000 -0.286 0.000 1.325 275 F HN 0.763 nan 8.300 nan 0.000 0.453 276 D N -1.198 119.300 120.400 0.162 0.000 2.602 276 D HA 0.662 5.302 4.640 -0.000 0.000 0.236 276 D C -1.898 174.471 176.300 0.114 0.000 1.209 276 D CA -0.786 53.333 54.000 0.199 0.000 0.831 276 D CB 2.167 43.156 40.800 0.315 0.000 1.478 276 D HN 0.480 nan 8.370 nan 0.000 0.438 277 V N 1.069 121.014 119.914 0.053 0.000 2.419 277 V HA 0.505 4.625 4.120 -0.000 0.000 0.287 277 V C -0.538 175.553 176.094 -0.005 0.000 1.017 277 V CA -0.547 61.760 62.300 0.012 0.000 0.844 277 V CB 0.856 32.677 31.823 -0.003 0.000 1.011 277 V HN 0.584 nan 8.190 nan 0.000 0.429 278 M N 2.024 121.587 119.600 -0.061 0.000 2.821 278 M HA 0.701 5.181 4.480 -0.000 0.000 0.304 278 M C 0.610 176.883 176.300 -0.046 0.000 1.233 278 M CA -0.599 54.657 55.300 -0.074 0.000 0.851 278 M CB 1.161 33.655 32.600 -0.177 0.000 1.723 278 M HN 0.558 nan 8.290 nan 0.000 0.493 279 E N -1.217 118.992 120.200 0.015 0.000 3.628 279 E HA -0.117 4.233 4.350 -0.000 0.000 0.309 279 E C -0.735 175.910 176.600 0.076 0.000 0.839 279 E CA 0.323 56.764 56.400 0.068 0.000 1.123 279 E CB -2.159 27.592 29.700 0.084 0.000 1.568 279 E HN 0.518 nan 8.360 nan 0.000 0.440 280 V N 1.614 121.569 119.914 0.069 0.000 2.479 280 V HA 0.151 4.271 4.120 -0.000 0.000 0.281 280 V C 0.858 177.021 176.094 0.115 0.000 1.031 280 V CA 0.705 63.059 62.300 0.090 0.000 1.038 280 V CB 1.443 33.317 31.823 0.086 0.000 0.981 280 V HN 0.188 nan 8.190 nan 0.000 0.478 281 S N 7.051 122.839 115.700 0.147 0.000 2.532 281 S HA 0.430 4.900 4.470 -0.000 0.000 0.256 281 S C -1.431 173.312 174.600 0.238 0.000 1.298 281 S CA -1.431 56.894 58.200 0.209 0.000 1.166 281 S CB 1.227 64.572 63.200 0.242 0.000 1.022 281 S HN 0.568 nan 8.310 nan 0.000 0.480 282 P HA -0.184 nan 4.420 nan 0.000 0.218 282 P C 1.432 178.774 177.300 0.070 0.000 1.154 282 P CA 0.977 64.151 63.100 0.123 0.000 0.872 282 P CB 0.085 31.849 31.700 0.108 0.000 0.790 283 L N -2.733 118.518 121.223 0.046 0.000 2.127 283 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 283 L C 2.008 178.739 176.870 -0.231 0.000 1.089 283 L CA 1.944 56.701 54.840 -0.139 0.000 0.757 283 L CB -2.110 39.803 42.059 -0.243 0.000 0.899 283 L HN 0.123 nan 8.230 nan 0.000 0.434 284 Y N -0.890 119.432 120.300 0.036 0.000 2.466 284 Y HA 0.118 4.668 4.550 -0.000 0.000 0.272 284 Y C 1.098 177.018 175.900 0.032 0.000 1.169 284 Y CA -0.957 57.166 58.100 0.037 0.000 1.285 284 Y CB -0.140 38.353 38.460 0.056 0.000 1.078 284 Y HN 0.090 nan 8.280 nan 0.000 0.523 285 D N 0.359 120.838 120.400 0.132 0.000 2.344 285 D HA 0.212 4.852 4.640 -0.000 0.000 0.244 285 D C -0.171 176.156 176.300 0.045 0.000 1.134 285 D CA 0.330 54.384 54.000 0.090 0.000 0.930 285 D CB 0.582 41.428 40.800 0.076 0.000 1.175 285 D HN 0.427 nan 8.370 nan 0.000 0.437 286 H N -0.671 118.420 119.070 0.036 0.000 2.646 286 H HA 0.554 5.110 4.556 -0.000 0.000 0.328 286 H C 1.112 176.444 175.328 0.006 0.000 0.998 286 H CA -0.558 55.498 56.048 0.013 0.000 1.225 286 H CB 1.048 30.814 29.762 0.008 0.000 1.457 286 H HN 0.726 nan 8.280 nan 0.000 0.505 287 G N 0.798 109.597 108.800 -0.002 0.000 2.187 287 G HA2 0.073 4.033 3.960 -0.000 0.000 0.261 287 G HA3 0.073 4.033 3.960 -0.000 0.000 0.261 287 G C 2.029 176.933 174.900 0.005 0.000 1.000 287 G CA 1.564 46.662 45.100 -0.004 0.000 0.718 287 G HN 2.560 nan 8.290 nan 0.000 0.519 288 G N -0.337 108.471 108.800 0.013 0.000 2.180 288 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.263 288 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.263 288 G C 1.384 176.305 174.900 0.034 0.000 0.989 288 G CA 1.363 46.478 45.100 0.025 0.000 0.692 288 G HN 2.066 nan 8.290 nan 0.000 0.526 289 I N -2.508 118.081 120.570 0.033 0.000 2.423 289 I HA -0.076 4.094 4.170 -0.000 0.000 0.254 289 I C 2.201 178.356 176.117 0.063 0.000 1.151 289 I CA 2.089 63.414 61.300 0.042 0.000 1.421 289 I CB -0.785 37.237 38.000 0.036 0.000 1.079 289 I HN 0.062 nan 8.210 nan 0.000 0.431 290 T N 0.639 115.234 114.554 0.068 0.000 2.812 290 T HA -0.073 4.277 4.350 -0.000 0.000 0.264 290 T C 2.101 176.848 174.700 0.079 0.000 1.042 290 T CA 1.746 63.895 62.100 0.082 0.000 1.140 290 T CB -0.204 68.718 68.868 0.089 0.000 0.870 290 T HN 0.420 nan 8.240 nan 0.000 0.445 291 S N 1.126 116.871 115.700 0.076 0.000 2.383 291 S HA 0.048 4.517 4.470 -0.000 0.000 0.227 291 S C 2.041 176.687 174.600 0.077 0.000 1.026 291 S CA 0.748 58.998 58.200 0.083 0.000 0.981 291 S CB -0.389 62.858 63.200 0.078 0.000 0.818 291 S HN 0.394 nan 8.310 nan 0.000 0.472 292 I N 0.970 121.573 120.570 0.055 0.000 2.252 292 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 292 I C 2.276 178.418 176.117 0.041 0.000 1.102 292 I CA 0.770 62.091 61.300 0.035 0.000 1.385 292 I CB -0.259 37.754 38.000 0.021 0.000 1.064 292 I HN 0.251 nan 8.210 nan 0.000 0.414 293 L N 1.237 122.493 121.223 0.056 0.000 2.027 293 L HA -0.112 4.228 4.340 -0.000 0.000 0.206 293 L C 2.575 179.479 176.870 0.057 0.000 1.074 293 L CA 2.130 57.002 54.840 0.053 0.000 0.745 293 L CB -0.828 41.274 42.059 0.072 0.000 0.898 293 L HN 0.165 nan 8.230 nan 0.000 0.433 294 A N -1.326 121.539 122.820 0.075 0.000 1.948 294 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 294 A C 2.268 179.938 177.584 0.143 0.000 1.177 294 A CA 2.460 54.550 52.037 0.089 0.000 0.636 294 A CB -1.314 17.743 19.000 0.096 0.000 0.815 294 A HN 0.554 nan 8.150 nan 0.000 0.449 295 T N -0.637 114.016 114.554 0.165 0.000 2.708 295 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 295 T C 1.925 176.708 174.700 0.138 0.000 1.037 295 T CA 1.683 63.918 62.100 0.224 0.000 1.146 295 T CB -0.250 68.645 68.868 0.045 0.000 0.865 295 T HN 0.609 nan 8.240 nan 0.000 0.435 296 E N 1.088 121.317 120.200 0.048 0.000 2.118 296 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 296 E C 1.953 178.566 176.600 0.021 0.000 0.992 296 E CA 1.050 57.455 56.400 0.008 0.000 0.804 296 E CB -0.558 29.134 29.700 -0.013 0.000 0.741 296 E HN 0.545 nan 8.360 nan 0.000 0.458 297 I N -0.344 120.246 120.570 0.033 0.000 2.252 297 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 297 I C 2.337 178.450 176.117 -0.006 0.000 1.102 297 I CA 1.173 62.475 61.300 0.003 0.000 1.385 297 I CB -0.590 37.410 38.000 -0.001 0.000 1.064 297 I HN 0.260 nan 8.210 nan 0.000 0.414 298 G N 0.489 109.334 108.800 0.075 0.000 2.418 298 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 298 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 298 G C 1.870 176.833 174.900 0.104 0.000 1.158 298 G CA 0.811 45.954 45.100 0.071 0.000 0.771 298 G HN 0.484 nan 8.290 nan 0.000 0.545 299 A N 0.779 123.698 122.820 0.165 0.000 1.902 299 A HA -0.041 4.279 4.320 -0.000 0.000 0.217 299 A C 2.187 179.784 177.584 0.023 0.000 1.181 299 A CA 2.246 54.332 52.037 0.082 0.000 0.623 299 A CB -0.440 18.556 19.000 -0.005 0.000 0.818 299 A HN 0.375 nan 8.150 nan 0.000 0.443 300 E N 0.201 120.400 120.200 -0.002 0.000 2.077 300 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 300 E C 1.840 178.436 176.600 -0.007 0.000 0.989 300 E CA 1.275 57.683 56.400 0.013 0.000 0.800 300 E CB -0.402 29.292 29.700 -0.011 0.000 0.746 300 E HN 0.616 nan 8.360 nan 0.000 0.452 301 L N -0.236 120.890 121.223 -0.161 0.000 2.056 301 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 301 L C 2.530 179.199 176.870 -0.336 0.000 1.078 301 L CA 0.915 55.502 54.840 -0.420 0.000 0.749 301 L CB -0.474 41.016 42.059 -0.949 0.000 0.901 301 L HN 0.194 nan 8.230 nan 0.000 0.433 302 L N -1.401 119.709 121.223 -0.189 0.000 2.042 302 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 302 L C 2.674 179.642 176.870 0.164 0.000 1.076 302 L CA 1.475 56.349 54.840 0.056 0.000 0.749 302 L CB -0.692 41.456 42.059 0.149 0.000 0.893 302 L HN 0.227 nan 8.230 nan 0.000 0.432 303 Y N 0.657 120.960 120.300 0.005 0.000 2.200 303 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 303 Y C 2.739 178.671 175.900 0.053 0.000 1.137 303 Y CA 1.422 59.528 58.100 0.010 0.000 1.163 303 Y CB -0.112 38.321 38.460 -0.046 0.000 0.988 303 Y HN 0.148 nan 8.280 nan 0.000 0.518 304 Q N -0.826 118.965 119.800 -0.015 0.000 2.170 304 Q HA -0.228 4.112 4.340 -0.000 0.000 0.203 304 Q C 2.064 178.030 176.000 -0.057 0.000 0.976 304 Q CA 1.679 57.432 55.803 -0.083 0.000 0.858 304 Q CB -0.955 27.801 28.738 0.029 0.000 0.907 304 Q HN 0.733 nan 8.270 nan 0.000 0.433 305 Y N 1.084 121.387 120.300 0.005 0.000 2.145 305 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 305 Y C 2.240 178.131 175.900 -0.014 0.000 1.145 305 Y CA 1.780 59.944 58.100 0.108 0.000 1.148 305 Y CB -0.323 38.357 38.460 0.366 0.000 0.981 305 Y HN 0.103 nan 8.280 nan 0.000 0.507 306 A N 0.561 123.452 122.820 0.118 0.000 1.883 306 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 306 A C 2.356 179.816 177.584 -0.206 0.000 1.186 306 A CA 1.999 54.035 52.037 -0.002 0.000 0.624 306 A CB -0.893 18.094 19.000 -0.021 0.000 0.822 306 A HN 0.559 nan 8.150 nan 0.000 0.444 307 R N -0.490 119.775 120.500 -0.391 0.000 2.096 307 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 307 R C 2.137 178.270 176.300 -0.279 0.000 1.127 307 R CA 1.357 57.247 56.100 -0.351 0.000 0.968 307 R CB -0.355 29.695 30.300 -0.417 0.000 0.861 307 R HN 0.453 nan 8.270 nan 0.000 0.440 308 A N 0.270 122.860 122.820 -0.383 0.000 2.119 308 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 308 A C 0.232 177.439 177.584 -0.628 0.000 1.153 308 A CA 0.799 52.527 52.037 -0.516 0.000 0.692 308 A CB -0.189 18.410 19.000 -0.667 0.000 0.799 308 A HN 0.321 nan 8.150 nan 0.000 0.458 309 H N 0.000 118.927 119.070 -0.239 0.000 2.539 309 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 309 H CA 0.000 55.930 56.048 -0.196 0.000 1.023 309 H CB 0.000 29.587 29.762 -0.292 0.000 1.292 309 H HN 0.000 nan 8.280 nan 0.000 0.496