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 2bbk_1_J DATA FIRST_RESID 19 DATA SEQUENCE DEPRILEAPA PDARRVYVND PAHFAAVTQQ FVIDGEAGRV IGMIDGGFLP DATA SEQUENCE NPVVADDGSF IAHASTVFSR IARGERTDYV EVFDPVTLLP TADIELPDAP DATA SEQUENCE RFLVGTYPWM TSLTPDGKTL LFYQFSPAPA VGVVDLEGKA FKRMLDVPDc DATA SEQUENCE YHIFPTAPDT FFMHcRDGSL AKVAFGTEGT PEITHTEVFH PEDEFLINHP DATA SEQUENCE AYSQKAGRLV WPTYTGKIHQ IDLSSGDAKF LPAVEALTEA ERADGWRPGG DATA SEQUENCE WQQVAYHRAL DRIYLLVDQR DEWRHKTASR FVVVLDAKTG ERLAKFEMGH DATA SEQUENCE EIDSINVSQD EKPLLYALST GDKTLYIHDA ESGEELRSVN QLGHGPQVIT DATA SEQUENCE TADMG 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 19 D HA 0.000 nan 4.640 nan 0.000 0.175 19 D C 0.000 176.300 176.300 -0.001 0.000 2.045 19 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 19 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 20 E N 2.391 122.591 120.200 -0.000 0.000 2.546 20 E HA 0.409 4.759 4.350 0.001 0.000 0.227 20 E C -2.486 174.115 176.600 0.000 0.000 1.009 20 E CA -1.857 54.543 56.400 0.000 0.000 0.813 20 E CB 0.516 30.216 29.700 0.000 0.000 1.269 20 E HN 0.068 nan 8.360 nan 0.000 0.432 21 P HA 0.214 nan 4.420 nan 0.000 0.266 21 P C -0.448 176.853 177.300 0.001 0.000 1.195 21 P CA 0.094 63.194 63.100 0.000 0.000 0.768 21 P CB 0.527 32.227 31.700 -0.000 0.000 0.838 22 R N 1.080 121.581 120.500 0.001 0.000 2.870 22 R HA 0.653 4.993 4.340 0.001 0.000 0.262 22 R C -1.110 175.191 176.300 0.002 0.000 1.112 22 R CA -1.049 55.052 56.100 0.002 0.000 0.976 22 R CB 0.704 31.005 30.300 0.002 0.000 1.261 22 R HN 0.183 nan 8.270 nan 0.000 0.453 23 I N 2.246 122.818 120.570 0.003 0.000 2.315 23 I HA 0.256 4.426 4.170 0.001 0.000 0.291 23 I C 0.143 176.262 176.117 0.004 0.000 1.006 23 I CA -0.832 60.470 61.300 0.003 0.000 1.265 23 I CB 1.337 39.341 38.000 0.006 0.000 1.387 23 I HN 0.298 nan 8.210 nan 0.000 0.475 24 L N 6.006 127.229 121.223 0.001 0.000 2.466 24 L HA 0.313 4.654 4.340 0.001 0.000 0.257 24 L C 0.295 177.167 176.870 0.003 0.000 1.189 24 L CA -0.365 54.476 54.840 0.001 0.000 0.813 24 L CB 0.367 42.424 42.059 -0.003 0.000 1.118 24 L HN 0.583 nan 8.230 nan 0.000 0.471 25 E N 0.286 120.489 120.200 0.005 0.000 2.195 25 E HA 0.533 4.884 4.350 0.001 0.000 0.271 25 E C -0.728 175.874 176.600 0.003 0.000 0.923 25 E CA -0.830 55.575 56.400 0.008 0.000 0.790 25 E CB 2.032 31.740 29.700 0.013 0.000 1.155 25 E HN 0.661 nan 8.360 nan 0.000 0.402 26 A N 3.428 126.249 122.820 0.002 0.000 2.332 26 A HA 0.412 4.732 4.320 0.001 0.000 0.258 26 A C -2.175 175.407 177.584 -0.003 0.000 1.087 26 A CA -1.128 50.904 52.037 -0.007 0.000 0.802 26 A CB -0.314 18.679 19.000 -0.011 0.000 1.042 26 A HN 0.346 nan 8.150 nan 0.000 0.489 27 P HA 0.297 nan 4.420 nan 0.000 0.270 27 P C -0.099 177.202 177.300 0.002 0.000 1.223 27 P CA 0.140 63.237 63.100 -0.005 0.000 0.785 27 P CB 0.344 32.036 31.700 -0.012 0.000 0.923 28 A N 3.692 126.518 122.820 0.010 0.000 2.520 28 A HA 0.294 4.614 4.320 0.001 0.000 0.235 28 A C -1.893 175.701 177.584 0.017 0.000 1.065 28 A CA -0.708 51.340 52.037 0.019 0.000 0.764 28 A CB -1.555 17.457 19.000 0.021 0.000 1.002 28 A HN 0.419 nan 8.150 nan 0.000 0.502 29 P HA 0.286 nan 4.420 nan 0.000 0.268 29 P C -0.927 176.391 177.300 0.030 0.000 1.204 29 P CA 0.151 63.272 63.100 0.034 0.000 0.768 29 P CB 0.697 32.434 31.700 0.061 0.000 0.842 30 D N 0.414 120.829 120.400 0.025 0.000 2.652 30 D HA 0.409 5.049 4.640 0.001 0.000 0.285 30 D C 0.655 176.979 176.300 0.039 0.000 1.173 30 D CA -0.957 53.060 54.000 0.028 0.000 0.981 30 D CB 0.143 40.955 40.800 0.021 0.000 1.440 30 D HN 0.134 nan 8.370 nan 0.000 0.485 31 A N -0.521 122.326 122.820 0.044 0.000 2.019 31 A HA -0.131 4.190 4.320 0.001 0.000 0.219 31 A C 1.675 179.310 177.584 0.085 0.000 1.164 31 A CA 1.034 53.107 52.037 0.060 0.000 0.644 31 A CB -0.516 18.517 19.000 0.056 0.000 0.805 31 A HN 0.354 nan 8.150 nan 0.000 0.449 32 R N -0.482 120.062 120.500 0.072 0.000 2.310 32 R HA 0.099 4.439 4.340 0.001 0.000 0.202 32 R C 0.794 177.132 176.300 0.063 0.000 0.933 32 R CA 0.002 56.163 56.100 0.103 0.000 1.054 32 R CB -0.643 29.701 30.300 0.073 0.000 0.985 32 R HN 0.604 nan 8.270 nan 0.000 0.489 33 R N 0.944 121.444 120.500 0.000 0.000 2.490 33 R HA 0.275 4.616 4.340 0.001 0.000 0.280 33 R C -0.834 175.355 176.300 -0.185 0.000 1.077 33 R CA -0.031 55.995 56.100 -0.123 0.000 1.065 33 R CB 1.001 31.213 30.300 -0.148 0.000 1.003 33 R HN -0.100 nan 8.270 nan 0.000 0.470 34 V N 5.162 124.855 119.914 -0.368 0.000 2.888 34 V HA 0.462 4.582 4.120 0.001 0.000 0.309 34 V C -1.909 173.918 176.094 -0.445 0.000 1.114 34 V CA -0.707 61.356 62.300 -0.395 0.000 0.940 34 V CB 1.942 33.301 31.823 -0.773 0.000 1.021 34 V HN 0.778 nan 8.190 nan 0.000 0.426 35 Y N 4.162 124.366 120.300 -0.160 0.000 2.352 35 Y HA 0.710 5.260 4.550 0.001 0.000 0.339 35 Y C 0.088 175.947 175.900 -0.068 0.000 0.992 35 Y CA -0.772 57.275 58.100 -0.088 0.000 1.100 35 Y CB 2.148 40.568 38.460 -0.066 0.000 1.192 35 Y HN 0.441 nan 8.280 nan 0.000 0.458 36 V N 3.932 123.916 119.914 0.117 0.000 2.409 36 V HA 0.348 4.469 4.120 0.001 0.000 0.291 36 V C -0.708 175.499 176.094 0.188 0.000 1.020 36 V CA -1.040 61.322 62.300 0.102 0.000 0.848 36 V CB 1.444 33.279 31.823 0.021 0.000 0.990 36 V HN 0.723 nan 8.190 nan 0.000 0.430 37 N N 2.668 121.444 118.700 0.126 0.000 2.456 37 N HA 0.419 5.159 4.740 0.001 0.000 0.288 37 N C -0.919 174.641 175.510 0.083 0.000 1.059 37 N CA -0.478 52.637 53.050 0.108 0.000 0.946 37 N CB 1.319 39.847 38.487 0.068 0.000 1.150 37 N HN 0.679 nan 8.380 nan 0.000 0.479 38 D N 2.181 122.639 120.400 0.096 0.000 2.472 38 D HA 0.332 4.972 4.640 0.001 0.000 0.234 38 D C -2.076 174.207 176.300 -0.028 0.000 1.088 38 D CA -2.278 51.747 54.000 0.042 0.000 0.882 38 D CB 1.286 42.193 40.800 0.177 0.000 1.037 38 D HN 0.260 nan 8.370 nan 0.000 0.520 39 P HA 0.100 nan 4.420 nan 0.000 0.242 39 P C 0.247 177.456 177.300 -0.153 0.000 1.197 39 P CA 0.485 63.502 63.100 -0.138 0.000 0.765 39 P CB 0.023 31.596 31.700 -0.212 0.000 0.936 40 A N 0.012 122.717 122.820 -0.192 0.000 2.745 40 A HA -0.252 4.068 4.320 0.001 0.000 0.296 40 A C 0.280 177.757 177.584 -0.180 0.000 1.500 40 A CA 1.045 52.988 52.037 -0.157 0.000 0.766 40 A CB -2.842 16.164 19.000 0.010 0.000 1.030 40 A HN 0.491 nan 8.150 nan 0.000 0.489 41 H N -3.128 115.798 119.070 -0.239 0.000 2.770 41 H HA -0.240 4.316 4.556 0.001 0.000 0.309 41 H C 0.583 175.797 175.328 -0.190 0.000 1.206 41 H CA 1.624 57.464 56.048 -0.347 0.000 1.147 41 H CB -2.234 27.429 29.762 -0.165 0.000 1.422 41 H HN 1.616 nan 8.280 nan 0.000 0.420 42 F N -4.050 115.951 119.950 0.086 0.000 2.884 42 F HA -0.222 4.306 4.527 0.001 0.000 0.294 42 F C 1.425 177.386 175.800 0.268 0.000 0.723 42 F CA 0.200 58.306 58.000 0.176 0.000 1.294 42 F CB -1.860 37.252 39.000 0.186 0.000 1.551 42 F HN 0.567 nan 8.300 nan 0.000 0.363 43 A N 0.354 123.346 122.820 0.286 0.000 2.406 43 A HA 0.648 4.969 4.320 0.001 0.000 0.243 43 A C 1.508 179.256 177.584 0.272 0.000 1.082 43 A CA 0.284 52.434 52.037 0.189 0.000 0.786 43 A CB 0.358 19.393 19.000 0.058 0.000 1.029 43 A HN 0.967 nan 8.150 nan 0.000 0.495 44 A N 0.868 123.764 122.820 0.126 0.000 2.070 44 A HA 0.285 4.605 4.320 0.001 0.000 0.220 44 A C 1.002 178.704 177.584 0.196 0.000 1.159 44 A CA 1.748 53.852 52.037 0.111 0.000 0.656 44 A CB -0.972 18.009 19.000 -0.030 0.000 0.800 44 A HN 1.983 nan 8.150 nan 0.000 0.453 45 V N -3.161 116.837 119.914 0.140 0.000 2.876 45 V HA 0.816 4.937 4.120 0.001 0.000 0.312 45 V C -0.475 175.677 176.094 0.096 0.000 1.085 45 V CA -0.002 62.368 62.300 0.118 0.000 0.945 45 V CB 1.443 33.316 31.823 0.084 0.000 1.017 45 V HN 0.522 nan 8.190 nan 0.000 0.428 46 T N 1.477 116.075 114.554 0.073 0.000 2.804 46 T HA 0.800 5.151 4.350 0.001 0.000 0.290 46 T C -0.804 173.899 174.700 0.005 0.000 1.099 46 T CA -0.814 61.315 62.100 0.049 0.000 1.011 46 T CB 2.209 71.094 68.868 0.029 0.000 1.291 46 T HN 0.885 nan 8.240 nan 0.000 0.523 47 Q N -0.330 119.451 119.800 -0.032 0.000 2.416 47 Q HA 0.525 4.866 4.340 0.001 0.000 0.281 47 Q C -1.570 174.300 176.000 -0.218 0.000 1.067 47 Q CA -0.833 54.858 55.803 -0.187 0.000 0.809 47 Q CB 3.041 31.561 28.738 -0.364 0.000 1.418 47 Q HN 0.731 nan 8.270 nan 0.000 0.411 48 Q N 1.468 121.074 119.800 -0.324 0.000 2.353 48 Q HA 0.524 4.865 4.340 0.001 0.000 0.268 48 Q C -1.687 174.091 176.000 -0.370 0.000 1.045 48 Q CA -0.504 55.191 55.803 -0.179 0.000 0.811 48 Q CB 1.154 29.863 28.738 -0.049 0.000 1.305 48 Q HN 0.500 nan 8.270 nan 0.000 0.447 49 F N 2.044 121.972 119.950 -0.037 0.000 2.436 49 F HA 0.425 4.952 4.527 0.001 0.000 0.340 49 F C -0.228 175.500 175.800 -0.119 0.000 1.113 49 F CA -0.809 57.143 58.000 -0.080 0.000 1.022 49 F CB 1.700 40.639 39.000 -0.101 0.000 1.128 49 F HN 0.193 nan 8.300 nan 0.000 0.466 50 V N 5.400 125.296 119.914 -0.031 0.000 2.370 50 V HA 0.442 4.562 4.120 0.001 0.000 0.279 50 V C -0.007 175.959 176.094 -0.214 0.000 1.029 50 V CA -0.546 61.599 62.300 -0.258 0.000 0.870 50 V CB 1.120 32.797 31.823 -0.242 0.000 0.984 50 V HN 0.565 nan 8.190 nan 0.000 0.451 51 I N 3.331 123.728 120.570 -0.289 0.000 2.608 51 I HA 0.392 4.563 4.170 0.001 0.000 0.295 51 I C -0.592 175.411 176.117 -0.190 0.000 1.049 51 I CA -0.608 60.578 61.300 -0.190 0.000 1.063 51 I CB 2.356 40.249 38.000 -0.178 0.000 1.248 51 I HN 0.501 nan 8.210 nan 0.000 0.424 52 D N 4.194 124.524 120.400 -0.116 0.000 2.365 52 D HA 0.175 4.816 4.640 0.001 0.000 0.237 52 D C 1.109 177.390 176.300 -0.031 0.000 1.190 52 D CA -0.148 53.807 54.000 -0.075 0.000 0.867 52 D CB 1.667 42.436 40.800 -0.052 0.000 1.050 52 D HN 0.702 nan 8.370 nan 0.000 0.491 53 G N 3.512 112.323 108.800 0.017 0.000 2.471 53 G HA2 -0.257 3.704 3.960 0.001 0.000 0.219 53 G HA3 -0.257 3.704 3.960 0.001 0.000 0.219 53 G C 1.252 176.205 174.900 0.089 0.000 1.125 53 G CA 0.541 45.721 45.100 0.132 0.000 0.775 53 G HN 0.521 nan 8.290 nan 0.000 0.548 54 E N 0.790 121.017 120.200 0.045 0.000 2.076 54 E HA 0.169 4.520 4.350 0.001 0.000 0.190 54 E C 2.526 179.128 176.600 0.004 0.000 0.979 54 E CA 1.262 57.675 56.400 0.021 0.000 0.807 54 E CB -0.339 29.369 29.700 0.013 0.000 0.761 54 E HN 0.234 nan 8.360 nan 0.000 0.454 55 A N -0.392 122.425 122.820 -0.004 0.000 2.081 55 A HA 0.346 4.666 4.320 0.001 0.000 0.214 55 A C 1.696 179.267 177.584 -0.022 0.000 1.158 55 A CA 0.784 52.812 52.037 -0.015 0.000 0.724 55 A CB -0.548 18.440 19.000 -0.020 0.000 0.826 55 A HN 0.506 nan 8.150 nan 0.000 0.463 56 G N -0.621 108.168 108.800 -0.020 0.000 2.256 56 G HA2 -0.248 3.712 3.960 0.001 0.000 0.272 56 G HA3 -0.248 3.712 3.960 0.001 0.000 0.272 56 G C 0.044 174.912 174.900 -0.052 0.000 1.076 56 G CA 0.537 45.617 45.100 -0.035 0.000 0.882 56 G HN 0.823 nan 8.290 nan 0.000 0.497 57 R N -0.441 120.028 120.500 -0.052 0.000 2.621 57 R HA 0.587 4.927 4.340 0.001 0.000 0.292 57 R C 0.006 176.271 176.300 -0.058 0.000 0.969 57 R CA -0.814 55.254 56.100 -0.053 0.000 0.887 57 R CB 1.690 31.966 30.300 -0.040 0.000 1.180 57 R HN 0.116 nan 8.270 nan 0.000 0.450 58 V N 6.863 126.748 119.914 -0.049 0.000 2.479 58 V HA 0.058 4.179 4.120 0.001 0.000 0.281 58 V C 1.319 177.394 176.094 -0.032 0.000 1.031 58 V CA 0.283 62.566 62.300 -0.028 0.000 1.038 58 V CB 0.851 32.688 31.823 0.022 0.000 0.981 58 V HN 0.767 nan 8.190 nan 0.000 0.478 59 I N 2.012 122.550 120.570 -0.052 0.000 4.057 59 I HA 0.705 4.876 4.170 0.001 0.000 0.334 59 I C 0.774 176.860 176.117 -0.052 0.000 1.308 59 I CA 0.316 61.584 61.300 -0.054 0.000 1.125 59 I CB 0.401 38.360 38.000 -0.068 0.000 1.034 59 I HN 0.645 nan 8.210 nan 0.000 0.401 60 G N 0.912 109.680 108.800 -0.053 0.000 2.328 60 G HA2 0.550 4.511 3.960 0.001 0.000 0.295 60 G HA3 0.550 4.511 3.960 0.001 0.000 0.295 60 G C -1.593 173.253 174.900 -0.090 0.000 1.413 60 G CA -0.810 44.251 45.100 -0.064 0.000 0.817 60 G HN 0.032 nan 8.290 nan 0.000 0.546 61 M N -0.455 119.064 119.600 -0.136 0.000 2.618 61 M HA 0.676 5.157 4.480 0.001 0.000 0.281 61 M C -1.295 174.860 176.300 -0.242 0.000 1.267 61 M CA -0.683 54.476 55.300 -0.234 0.000 0.845 61 M CB 3.047 35.474 32.600 -0.289 0.000 1.732 61 M HN 0.409 nan 8.290 nan 0.000 0.461 62 I N 0.488 120.885 120.570 -0.289 0.000 2.656 62 I HA 0.291 4.462 4.170 0.001 0.000 0.292 62 I C -1.369 174.639 176.117 -0.182 0.000 1.144 62 I CA -0.765 60.349 61.300 -0.310 0.000 1.038 62 I CB 2.408 40.113 38.000 -0.492 0.000 1.244 62 I HN 0.517 nan 8.210 nan 0.000 0.420 63 D N 4.024 124.381 120.400 -0.072 0.000 2.210 63 D HA 0.599 5.240 4.640 0.001 0.000 0.249 63 D C 0.021 176.415 176.300 0.156 0.000 1.062 63 D CA 0.157 54.168 54.000 0.019 0.000 0.891 63 D CB 2.205 43.030 40.800 0.042 0.000 1.186 63 D HN 0.716 nan 8.370 nan 0.000 0.432 64 G N -0.403 108.455 108.800 0.095 0.000 2.798 64 G HA2 0.604 4.565 3.960 0.001 0.000 0.286 64 G HA3 0.604 4.565 3.960 0.001 0.000 0.286 64 G C 0.038 174.965 174.900 0.045 0.000 1.389 64 G CA -0.548 44.584 45.100 0.054 0.000 0.894 64 G HN 0.438 nan 8.290 nan 0.000 0.488 65 G N -1.001 107.800 108.800 0.003 0.000 2.975 65 G HA2 0.430 4.390 3.960 0.001 0.000 0.159 65 G HA3 0.430 4.390 3.960 0.001 0.000 0.159 65 G C -0.753 174.239 174.900 0.154 0.000 1.525 65 G CA -0.588 44.573 45.100 0.101 0.000 1.075 65 G HN 0.497 nan 8.290 nan 0.000 0.574 66 F N 1.282 121.252 119.950 0.032 0.000 2.444 66 F HA 0.431 4.958 4.527 0.001 0.000 0.360 66 F C 0.943 176.747 175.800 0.007 0.000 1.106 66 F CA -1.149 56.894 58.000 0.072 0.000 1.170 66 F CB -0.313 38.811 39.000 0.206 0.000 1.113 66 F HN 0.261 nan 8.300 nan 0.000 0.521 67 L N 6.152 127.202 121.223 -0.288 0.000 3.795 67 L HA -0.215 4.126 4.340 0.001 0.000 0.489 67 L C -2.190 174.528 176.870 -0.254 0.000 1.259 67 L CA -0.447 54.176 54.840 -0.361 0.000 0.765 67 L CB -1.520 40.145 42.059 -0.655 0.000 1.519 67 L HN 0.434 nan 8.230 nan 0.000 0.842 68 P HA 0.144 nan 4.420 nan 0.000 0.276 68 P C -0.476 176.736 177.300 -0.146 0.000 1.252 68 P CA -0.269 62.694 63.100 -0.230 0.000 0.802 68 P CB 0.736 32.237 31.700 -0.332 0.000 1.035 69 N N 1.416 120.043 118.700 -0.122 0.000 2.446 69 N HA 0.329 5.070 4.740 0.001 0.000 0.265 69 N C -2.517 172.994 175.510 0.001 0.000 0.975 69 N CA -1.312 51.706 53.050 -0.053 0.000 0.928 69 N CB 1.783 40.244 38.487 -0.043 0.000 1.160 69 N HN 0.305 nan 8.380 nan 0.000 0.495 70 P HA 0.298 nan 4.420 nan 0.000 0.290 70 P C -0.707 176.549 177.300 -0.073 0.000 1.275 70 P CA -0.506 62.597 63.100 0.006 0.000 0.841 70 P CB 1.621 33.308 31.700 -0.022 0.000 1.042 71 V N -0.178 119.691 119.914 -0.076 0.000 3.007 71 V HA 0.751 4.872 4.120 0.001 0.000 0.311 71 V C -0.965 175.004 176.094 -0.208 0.000 1.120 71 V CA -1.034 61.191 62.300 -0.125 0.000 0.980 71 V CB 2.137 33.938 31.823 -0.038 0.000 1.033 71 V HN 0.249 nan 8.190 nan 0.000 0.429 72 V N 2.442 122.195 119.914 -0.268 0.000 2.623 72 V HA 0.801 4.922 4.120 0.001 0.000 0.304 72 V C 0.611 176.489 176.094 -0.361 0.000 1.054 72 V CA -0.116 61.953 62.300 -0.384 0.000 0.882 72 V CB 1.720 33.286 31.823 -0.429 0.000 1.002 72 V HN 1.493 nan 8.190 nan 0.000 0.424 73 A N 2.685 125.139 122.820 -0.610 0.000 2.477 73 A HA 0.244 4.564 4.320 0.001 0.000 0.246 73 A C 1.049 178.487 177.584 -0.243 0.000 1.078 73 A CA -0.067 51.650 52.037 -0.534 0.000 0.770 73 A CB 0.024 18.480 19.000 -0.908 0.000 1.011 73 A HN 0.884 nan 8.150 nan 0.000 0.494 74 D N 1.231 121.565 120.400 -0.110 0.000 2.218 74 D HA -0.150 4.491 4.640 0.001 0.000 0.204 74 D C 1.097 177.377 176.300 -0.033 0.000 0.976 74 D CA 1.757 55.731 54.000 -0.043 0.000 0.853 74 D CB -0.003 40.797 40.800 -0.000 0.000 0.939 74 D HN 0.816 nan 8.370 nan 0.000 0.481 75 D N -0.663 119.715 120.400 -0.037 0.000 2.349 75 D HA 0.032 4.672 4.640 0.001 0.000 0.224 75 D C 1.500 177.796 176.300 -0.006 0.000 1.029 75 D CA 0.882 54.880 54.000 -0.004 0.000 0.879 75 D CB -0.316 40.500 40.800 0.026 0.000 0.906 75 D HN 0.174 nan 8.370 nan 0.000 0.528 76 G N 0.238 109.010 108.800 -0.047 0.000 2.148 76 G HA2 -0.360 3.600 3.960 0.001 0.000 0.254 76 G HA3 -0.360 3.600 3.960 0.001 0.000 0.254 76 G C 1.116 176.016 174.900 0.000 0.000 0.981 76 G CA 0.956 46.043 45.100 -0.022 0.000 0.670 76 G HN 0.663 nan 8.290 nan 0.000 0.528 77 S N -0.853 114.847 115.700 0.000 0.000 2.461 77 S HA 0.508 4.978 4.470 0.001 0.000 0.228 77 S C 0.686 175.433 174.600 0.245 0.000 1.005 77 S CA 1.178 59.458 58.200 0.132 0.000 0.942 77 S CB -0.229 63.102 63.200 0.218 0.000 0.776 77 S HN 1.892 nan 8.310 nan 0.000 0.514 78 F N -0.237 119.740 119.950 0.045 0.000 2.807 78 F HA 0.747 5.274 4.527 0.001 0.000 0.316 78 F C -1.483 174.333 175.800 0.027 0.000 1.162 78 F CA -1.968 56.060 58.000 0.048 0.000 0.910 78 F CB 0.945 39.968 39.000 0.038 0.000 1.314 78 F HN 0.094 nan 8.300 nan 0.000 0.454 79 I N 0.076 120.771 120.570 0.208 0.000 2.934 79 I HA 1.038 5.208 4.170 0.001 0.000 0.306 79 I C -1.141 175.159 176.117 0.306 0.000 1.110 79 I CA -1.140 60.182 61.300 0.037 0.000 1.019 79 I CB 1.825 39.755 38.000 -0.117 0.000 1.227 79 I HN 1.206 nan 8.210 nan 0.000 0.434 80 A N 2.763 125.694 122.820 0.185 0.000 2.588 80 A HA 0.869 5.190 4.320 0.001 0.000 0.290 80 A C -1.491 176.181 177.584 0.148 0.000 1.136 80 A CA -0.531 51.635 52.037 0.215 0.000 0.681 80 A CB 1.693 20.857 19.000 0.273 0.000 1.282 80 A HN 1.153 nan 8.150 nan 0.000 0.421 81 H N -1.382 117.782 119.070 0.157 0.000 3.046 81 H HA 0.781 5.338 4.556 0.001 0.000 0.361 81 H C -0.762 174.526 175.328 -0.067 0.000 1.235 81 H CA -0.626 55.449 56.048 0.046 0.000 1.146 81 H CB 1.743 31.537 29.762 0.053 0.000 1.859 81 H HN 1.117 nan 8.280 nan 0.000 0.548 82 A N 2.053 124.877 122.820 0.006 0.000 2.276 82 A HA 0.548 4.869 4.320 0.001 0.000 0.316 82 A C -0.201 177.116 177.584 -0.445 0.000 1.229 82 A CA -0.096 51.795 52.037 -0.243 0.000 0.851 82 A CB 1.237 20.082 19.000 -0.259 0.000 1.165 82 A HN 0.711 nan 8.150 nan 0.000 0.513 83 S N 1.017 116.258 115.700 -0.764 0.000 2.732 83 S HA 0.880 5.350 4.470 0.001 0.000 0.293 83 S C -0.677 173.486 174.600 -0.727 0.000 1.159 83 S CA -0.321 57.396 58.200 -0.805 0.000 0.847 83 S CB 1.870 64.474 63.200 -0.993 0.000 1.169 83 S HN 0.830 nan 8.310 nan 0.000 0.501 84 T N 1.369 115.723 114.554 -0.332 0.000 2.971 84 T HA 0.626 4.976 4.350 0.001 0.000 0.304 84 T C -0.965 173.702 174.700 -0.055 0.000 1.038 84 T CA -0.473 61.527 62.100 -0.166 0.000 1.007 84 T CB 1.198 70.011 68.868 -0.092 0.000 1.055 84 T HN 1.091 nan 8.240 nan 0.000 0.451 85 V N 0.315 120.137 119.914 -0.153 0.000 3.102 85 V HA 0.942 5.063 4.120 0.001 0.000 0.312 85 V C -1.503 174.257 176.094 -0.557 0.000 1.135 85 V CA -1.152 61.051 62.300 -0.160 0.000 1.022 85 V CB 1.801 33.637 31.823 0.023 0.000 1.056 85 V HN 0.734 nan 8.190 nan 0.000 0.436 86 F N 0.318 120.283 119.950 0.025 0.000 2.593 86 F HA 0.620 5.147 4.527 0.001 0.000 0.320 86 F C 1.505 177.298 175.800 -0.012 0.000 1.060 86 F CA -0.095 57.902 58.000 -0.004 0.000 0.940 86 F CB 2.491 41.468 39.000 -0.037 0.000 1.268 86 F HN 0.682 nan 8.300 nan 0.000 0.475 87 S N 0.291 116.086 115.700 0.159 0.000 2.481 87 S HA 0.068 4.538 4.470 0.001 0.000 0.231 87 S C 0.819 175.461 174.600 0.070 0.000 0.996 87 S CA 0.623 58.869 58.200 0.077 0.000 0.942 87 S CB -0.097 63.129 63.200 0.044 0.000 0.768 87 S HN 0.497 nan 8.310 nan 0.000 0.520 88 R N 0.521 121.073 120.500 0.087 0.000 2.681 88 R HA 0.493 4.834 4.340 0.001 0.000 0.277 88 R C -0.057 176.259 176.300 0.027 0.000 1.563 88 R CA -0.095 56.028 56.100 0.039 0.000 1.673 88 R CB -0.618 29.689 30.300 0.013 0.000 1.258 88 R HN 0.375 nan 8.270 nan 0.000 0.650 89 I N -0.200 120.403 120.570 0.056 0.000 4.701 89 I HA -0.486 3.684 4.170 0.001 0.000 0.046 89 I C 1.068 177.198 176.117 0.023 0.000 0.626 89 I CA 2.495 63.819 61.300 0.039 0.000 0.723 89 I CB -1.077 36.917 38.000 -0.010 0.000 0.675 89 I HN 0.457 nan 8.210 nan 0.000 0.157 90 A N 0.783 123.521 122.820 -0.137 0.000 2.635 90 A HA 0.619 4.940 4.320 0.001 0.000 0.279 90 A C 0.524 177.712 177.584 -0.660 0.000 1.122 90 A CA 0.358 52.120 52.037 -0.459 0.000 0.965 90 A CB 0.111 18.880 19.000 -0.385 0.000 1.221 90 A HN 0.576 nan 8.150 nan 0.000 0.566 91 R N -2.940 117.362 120.500 -0.331 0.000 2.844 91 R HA 0.775 5.115 4.340 0.001 0.000 0.264 91 R C 0.515 176.820 176.300 0.009 0.000 1.077 91 R CA -0.324 55.640 56.100 -0.227 0.000 0.953 91 R CB -0.025 30.179 30.300 -0.159 0.000 1.272 91 R HN 1.353 nan 8.270 nan 0.000 0.447 92 G N 0.389 109.210 108.800 0.036 0.000 2.545 92 G HA2 -0.218 3.742 3.960 0.001 0.000 0.216 92 G HA3 -0.218 3.742 3.960 0.001 0.000 0.216 92 G C -1.066 173.924 174.900 0.151 0.000 1.314 92 G CA -0.035 45.113 45.100 0.081 0.000 0.906 92 G HN 0.807 nan 8.290 nan 0.000 0.563 93 E N 0.374 120.644 120.200 0.117 0.000 2.338 93 E HA 0.381 4.731 4.350 0.001 0.000 0.272 93 E C 0.738 177.393 176.600 0.091 0.000 1.029 93 E CA -0.452 56.004 56.400 0.094 0.000 0.872 93 E CB 0.517 30.237 29.700 0.034 0.000 1.015 93 E HN 0.545 nan 8.360 nan 0.000 0.417 94 R N 2.351 122.877 120.500 0.043 0.000 2.349 94 R HA 0.254 4.594 4.340 0.001 0.000 0.299 94 R C -1.088 175.095 176.300 -0.195 0.000 1.027 94 R CA -0.094 55.877 56.100 -0.216 0.000 0.958 94 R CB 1.100 31.348 30.300 -0.085 0.000 1.047 94 R HN 0.352 nan 8.270 nan 0.000 0.468 95 T N 3.581 117.979 114.554 -0.260 0.000 2.881 95 T HA 0.233 4.584 4.350 0.001 0.000 0.291 95 T C -1.410 173.261 174.700 -0.048 0.000 0.990 95 T CA -0.810 61.223 62.100 -0.111 0.000 0.976 95 T CB 1.390 70.215 68.868 -0.071 0.000 0.970 95 T HN 0.507 nan 8.240 nan 0.000 0.438 96 D N 2.497 122.857 120.400 -0.067 0.000 2.163 96 D HA 0.604 5.245 4.640 0.001 0.000 0.248 96 D C -0.532 175.746 176.300 -0.036 0.000 1.035 96 D CA 0.023 53.944 54.000 -0.131 0.000 0.872 96 D CB 1.229 41.893 40.800 -0.225 0.000 1.183 96 D HN 0.613 nan 8.370 nan 0.000 0.445 97 Y N -1.911 118.279 120.300 -0.184 0.000 2.656 97 Y HA 0.628 5.179 4.550 0.001 0.000 0.334 97 Y C -1.656 174.184 175.900 -0.100 0.000 1.179 97 Y CA -1.288 56.731 58.100 -0.135 0.000 1.050 97 Y CB 0.618 39.022 38.460 -0.094 0.000 1.308 97 Y HN 0.084 nan 8.280 nan 0.000 0.456 98 V N 1.955 121.885 119.914 0.028 0.000 2.513 98 V HA 0.459 4.580 4.120 0.001 0.000 0.299 98 V C -0.640 175.532 176.094 0.131 0.000 1.035 98 V CA -0.646 61.665 62.300 0.018 0.000 0.889 98 V CB 1.571 33.405 31.823 0.018 0.000 0.988 98 V HN 0.835 nan 8.190 nan 0.000 0.440 99 E N 2.451 122.725 120.200 0.124 0.000 2.222 99 E HA 0.659 5.010 4.350 0.001 0.000 0.267 99 E C -1.603 174.779 176.600 -0.364 0.000 0.884 99 E CA -0.523 55.797 56.400 -0.133 0.000 0.764 99 E CB 2.586 32.187 29.700 -0.165 0.000 1.169 99 E HN 0.440 nan 8.360 nan 0.000 0.413 100 V N 3.813 123.443 119.914 -0.473 0.000 2.628 100 V HA 0.531 4.651 4.120 0.001 0.000 0.306 100 V C -0.830 174.981 176.094 -0.471 0.000 1.045 100 V CA -0.603 61.517 62.300 -0.300 0.000 0.905 100 V CB 1.022 32.718 31.823 -0.211 0.000 0.997 100 V HN 0.523 nan 8.190 nan 0.000 0.436 101 F N 1.003 120.973 119.950 0.034 0.000 2.577 101 F HA 0.440 4.968 4.527 0.001 0.000 0.318 101 F C 0.137 175.982 175.800 0.076 0.000 1.065 101 F CA -0.843 57.172 58.000 0.025 0.000 0.929 101 F CB 1.450 40.443 39.000 -0.013 0.000 1.237 101 F HN 0.437 nan 8.300 nan 0.000 0.468 102 D N 3.211 123.762 120.400 0.252 0.000 2.308 102 D HA 0.163 4.803 4.640 0.001 0.000 0.251 102 D C -1.856 174.550 176.300 0.177 0.000 1.127 102 D CA -1.802 52.307 54.000 0.182 0.000 0.876 102 D CB 1.931 42.805 40.800 0.123 0.000 1.176 102 D HN 0.164 nan 8.370 nan 0.000 0.446 103 P HA -0.056 nan 4.420 nan 0.000 0.241 103 P C 1.195 178.549 177.300 0.091 0.000 1.191 103 P CA 0.371 63.551 63.100 0.134 0.000 0.771 103 P CB 0.249 32.028 31.700 0.131 0.000 0.929 104 V N -2.214 117.747 119.914 0.078 0.000 2.908 104 V HA 0.053 4.173 4.120 0.001 0.000 0.240 104 V C 2.097 178.217 176.094 0.044 0.000 1.117 104 V CA 1.638 63.968 62.300 0.051 0.000 1.133 104 V CB -1.136 30.712 31.823 0.042 0.000 0.857 104 V HN 0.128 nan 8.190 nan 0.000 0.478 105 T N -1.817 112.772 114.554 0.057 0.000 3.067 105 T HA 0.227 4.577 4.350 0.001 0.000 0.257 105 T C 1.283 176.020 174.700 0.060 0.000 1.105 105 T CA 0.743 62.874 62.100 0.051 0.000 1.104 105 T CB -0.354 68.546 68.868 0.054 0.000 0.925 105 T HN 0.649 nan 8.240 nan 0.000 0.498 106 L N -0.518 120.756 121.223 0.085 0.000 4.429 106 L HA -0.137 4.203 4.340 0.001 0.000 0.422 106 L C -0.115 176.874 176.870 0.198 0.000 1.149 106 L CA 0.035 54.930 54.840 0.092 0.000 0.972 106 L CB -2.148 39.904 42.059 -0.012 0.000 2.059 106 L HN 0.404 nan 8.230 nan 0.000 0.870 107 L N 1.194 122.532 121.223 0.192 0.000 2.375 107 L HA 0.445 4.785 4.340 0.001 0.000 0.271 107 L C -1.703 175.293 176.870 0.210 0.000 1.107 107 L CA -1.782 53.172 54.840 0.190 0.000 0.806 107 L CB 0.587 42.702 42.059 0.093 0.000 1.146 107 L HN -0.240 nan 8.230 nan 0.000 0.447 108 P HA 0.071 nan 4.420 nan 0.000 0.276 108 P C 0.223 177.438 177.300 -0.143 0.000 1.235 108 P CA -0.245 62.723 63.100 -0.220 0.000 0.772 108 P CB 0.885 32.432 31.700 -0.254 0.000 0.871 109 T N -0.450 113.996 114.554 -0.179 0.000 3.023 109 T HA 0.550 4.900 4.350 0.001 0.000 0.253 109 T C 0.424 175.046 174.700 -0.130 0.000 1.038 109 T CA -0.068 61.967 62.100 -0.109 0.000 0.962 109 T CB 0.162 68.990 68.868 -0.067 0.000 1.018 109 T HN 0.527 nan 8.240 nan 0.000 0.521 110 A N 0.714 123.424 122.820 -0.184 0.000 2.589 110 A HA 0.623 4.943 4.320 0.001 0.000 0.296 110 A C -2.115 175.379 177.584 -0.150 0.000 1.062 110 A CA -0.684 51.268 52.037 -0.141 0.000 0.686 110 A CB 1.618 20.540 19.000 -0.130 0.000 1.282 110 A HN 0.143 nan 8.150 nan 0.000 0.404 111 D N 2.042 122.388 120.400 -0.089 0.000 2.386 111 D HA 0.485 5.125 4.640 0.001 0.000 0.247 111 D C -1.454 174.843 176.300 -0.005 0.000 1.336 111 D CA 0.032 54.003 54.000 -0.048 0.000 0.976 111 D CB 0.767 41.512 40.800 -0.092 0.000 1.257 111 D HN 0.426 nan 8.370 nan 0.000 0.570 112 I N 2.627 123.224 120.570 0.045 0.000 2.355 112 I HA 0.231 4.402 4.170 0.001 0.000 0.288 112 I C 0.739 176.902 176.117 0.077 0.000 0.999 112 I CA -0.702 60.631 61.300 0.055 0.000 1.163 112 I CB 1.750 39.789 38.000 0.065 0.000 1.316 112 I HN 0.153 nan 8.210 nan 0.000 0.454 113 E N 6.207 126.434 120.200 0.046 0.000 2.373 113 E HA 0.317 4.668 4.350 0.001 0.000 0.267 113 E C -1.002 175.571 176.600 -0.046 0.000 1.032 113 E CA -0.397 56.015 56.400 0.020 0.000 0.889 113 E CB 1.016 30.709 29.700 -0.013 0.000 0.984 113 E HN 0.469 nan 8.360 nan 0.000 0.425 114 L N 6.836 127.981 121.223 -0.130 0.000 2.262 114 L HA 0.348 4.689 4.340 0.001 0.000 0.288 114 L C -2.032 174.633 176.870 -0.341 0.000 1.035 114 L CA -2.236 52.415 54.840 -0.316 0.000 0.820 114 L CB 0.969 42.818 42.059 -0.350 0.000 1.204 114 L HN 0.347 nan 8.230 nan 0.000 0.424 115 P HA -0.001 nan 4.420 nan 0.000 0.267 115 P C -0.332 176.833 177.300 -0.225 0.000 1.200 115 P CA 0.149 63.083 63.100 -0.277 0.000 0.772 115 P CB 0.524 32.074 31.700 -0.250 0.000 0.855 116 D N 0.627 120.952 120.400 -0.125 0.000 2.945 116 D HA -0.209 4.432 4.640 0.001 0.000 0.225 116 D C 0.179 176.445 176.300 -0.057 0.000 1.158 116 D CA 1.360 55.315 54.000 -0.074 0.000 0.805 116 D CB -1.841 38.925 40.800 -0.056 0.000 1.098 116 D HN 0.743 nan 8.370 nan 0.000 0.426 117 A N -0.978 121.798 122.820 -0.075 0.000 2.415 117 A HA -0.177 4.143 4.320 0.001 0.000 0.292 117 A C -0.898 176.684 177.584 -0.003 0.000 1.452 117 A CA 1.003 53.011 52.037 -0.048 0.000 0.750 117 A CB -0.880 18.116 19.000 -0.008 0.000 1.099 117 A HN 0.334 nan 8.150 nan 0.000 0.391 118 P HA 0.017 nan 4.420 nan 0.000 0.245 118 P C 0.567 177.974 177.300 0.179 0.000 1.203 118 P CA 0.263 63.428 63.100 0.107 0.000 0.792 118 P CB 0.174 32.010 31.700 0.226 0.000 0.997 119 R N 0.081 120.622 120.500 0.069 0.000 2.698 119 R HA 0.125 4.465 4.340 0.001 0.000 0.266 119 R C 0.039 176.496 176.300 0.261 0.000 1.026 119 R CA -0.270 55.895 56.100 0.110 0.000 1.102 119 R CB -0.038 30.216 30.300 -0.077 0.000 0.978 119 R HN 0.028 nan 8.270 nan 0.000 0.436 120 F N 3.981 124.015 119.950 0.139 0.000 2.421 120 F HA 0.224 4.752 4.527 0.001 0.000 0.358 120 F C -0.549 175.270 175.800 0.032 0.000 1.115 120 F CA -1.155 56.935 58.000 0.149 0.000 1.160 120 F CB 0.265 39.435 39.000 0.282 0.000 1.123 120 F HN 0.257 nan 8.300 nan 0.000 0.508 121 L N 8.095 129.314 121.223 -0.008 0.000 2.261 121 L HA 0.597 4.938 4.340 0.001 0.000 0.289 121 L C -0.348 176.183 176.870 -0.565 0.000 1.059 121 L CA -0.663 54.011 54.840 -0.277 0.000 0.816 121 L CB 0.930 42.947 42.059 -0.070 0.000 1.191 121 L HN 0.494 nan 8.230 nan 0.000 0.431 122 V N 2.230 121.716 119.914 -0.714 0.000 3.178 122 V HA 0.692 4.813 4.120 0.001 0.000 0.302 122 V C 0.259 176.099 176.094 -0.423 0.000 1.262 122 V CA -0.436 61.426 62.300 -0.729 0.000 1.030 122 V CB 2.308 33.297 31.823 -1.391 0.000 1.074 122 V HN 0.711 nan 8.190 nan 0.000 0.438 123 G N 2.274 111.017 108.800 -0.094 0.000 2.368 123 G HA2 0.270 4.231 3.960 0.001 0.000 0.233 123 G HA3 0.270 4.231 3.960 0.001 0.000 0.233 123 G C 0.153 175.102 174.900 0.081 0.000 1.267 123 G CA 0.518 45.748 45.100 0.216 0.000 0.873 123 G HN 1.036 nan 8.290 nan 0.000 0.539 124 T N 2.785 117.518 114.554 0.299 0.000 2.761 124 T HA 0.143 4.493 4.350 0.001 0.000 0.287 124 T C -0.669 174.331 174.700 0.500 0.000 0.931 124 T CA 0.585 62.831 62.100 0.244 0.000 1.164 124 T CB -0.098 68.902 68.868 0.219 0.000 0.876 124 T HN 0.288 nan 8.240 nan 0.000 0.534 125 Y N 4.435 124.776 120.300 0.069 0.000 2.342 125 Y HA 0.324 4.875 4.550 0.001 0.000 0.338 125 Y C -1.752 174.115 175.900 -0.056 0.000 0.965 125 Y CA -3.631 54.407 58.100 -0.103 0.000 1.159 125 Y CB 0.975 39.331 38.460 -0.172 0.000 1.157 125 Y HN 0.450 nan 8.280 nan 0.000 0.486 126 P HA -0.163 nan 4.420 nan 0.000 0.216 126 P C 0.563 177.605 177.300 -0.429 0.000 1.150 126 P CA 1.742 64.716 63.100 -0.210 0.000 0.843 126 P CB 0.123 31.616 31.700 -0.345 0.000 0.787 127 W N -1.763 119.617 121.300 0.134 0.000 3.434 127 W HA 0.179 4.839 4.660 0.001 0.000 0.297 127 W C 1.487 177.996 176.519 -0.018 0.000 1.295 127 W CA -0.046 57.322 57.345 0.038 0.000 1.731 127 W CB -0.585 28.827 29.460 -0.081 0.000 1.070 127 W HN -0.109 nan 8.180 nan 0.000 0.726 128 M N -0.500 119.161 119.600 0.101 0.000 2.495 128 M HA 0.178 4.659 4.480 0.001 0.000 0.237 128 M C -0.035 176.340 176.300 0.125 0.000 1.131 128 M CA 0.947 56.297 55.300 0.085 0.000 1.032 128 M CB -0.404 32.266 32.600 0.117 0.000 1.513 128 M HN -0.343 nan 8.290 nan 0.000 0.488 129 T N 0.111 114.704 114.554 0.065 0.000 3.172 129 T HA 0.507 4.857 4.350 0.001 0.000 0.320 129 T C -0.740 173.979 174.700 0.032 0.000 1.085 129 T CA -0.448 61.705 62.100 0.090 0.000 1.052 129 T CB 2.217 71.135 68.868 0.084 0.000 1.107 129 T HN -0.003 nan 8.240 nan 0.000 0.458 130 S N 2.046 117.801 115.700 0.092 0.000 2.570 130 S HA 0.684 5.154 4.470 0.001 0.000 0.270 130 S C -1.093 173.618 174.600 0.184 0.000 1.149 130 S CA -0.879 57.408 58.200 0.144 0.000 0.837 130 S CB 1.292 64.678 63.200 0.309 0.000 1.124 130 S HN 0.537 nan 8.310 nan 0.000 0.465 131 L N 1.928 123.286 121.223 0.224 0.000 2.344 131 L HA 0.570 4.910 4.340 0.001 0.000 0.272 131 L C 0.807 177.841 176.870 0.274 0.000 1.035 131 L CA -0.737 54.245 54.840 0.237 0.000 0.807 131 L CB 1.556 43.749 42.059 0.223 0.000 1.237 131 L HN 0.842 nan 8.230 nan 0.000 0.442 132 T N -2.105 112.603 114.554 0.257 0.000 2.882 132 T HA 0.216 4.567 4.350 0.001 0.000 0.287 132 T C -1.923 172.913 174.700 0.226 0.000 1.014 132 T CA -1.665 60.591 62.100 0.260 0.000 1.049 132 T CB 0.965 69.979 68.868 0.243 0.000 1.001 132 T HN 0.383 nan 8.240 nan 0.000 0.525 133 P HA -0.082 nan 4.420 nan 0.000 0.221 133 P C 0.861 178.244 177.300 0.138 0.000 1.145 133 P CA 1.024 64.222 63.100 0.163 0.000 0.795 133 P CB -0.113 31.674 31.700 0.143 0.000 0.775 134 D N -1.770 118.715 120.400 0.141 0.000 2.340 134 D HA 0.077 4.717 4.640 0.001 0.000 0.220 134 D C 1.489 177.885 176.300 0.160 0.000 1.039 134 D CA 0.586 54.661 54.000 0.126 0.000 0.866 134 D CB -1.103 39.758 40.800 0.101 0.000 0.913 134 D HN 0.214 nan 8.370 nan 0.000 0.523 135 G N 0.827 109.752 108.800 0.209 0.000 2.168 135 G HA2 -0.399 3.562 3.960 0.001 0.000 0.263 135 G HA3 -0.399 3.562 3.960 0.001 0.000 0.263 135 G C 1.002 176.055 174.900 0.254 0.000 0.977 135 G CA 0.701 45.996 45.100 0.325 0.000 0.659 135 G HN 0.485 nan 8.290 nan 0.000 0.533 136 K N -0.610 119.886 120.400 0.160 0.000 2.352 136 K HA 0.181 4.501 4.320 0.001 0.000 0.194 136 K C 0.509 177.162 176.600 0.089 0.000 1.038 136 K CA 0.963 57.302 56.287 0.086 0.000 1.023 136 K CB 0.538 33.080 32.500 0.069 0.000 0.840 136 K HN 0.327 nan 8.250 nan 0.000 0.519 137 T N 1.163 115.803 114.554 0.144 0.000 2.861 137 T HA 0.393 4.744 4.350 0.001 0.000 0.287 137 T C -1.326 173.479 174.700 0.174 0.000 1.003 137 T CA -0.655 61.537 62.100 0.153 0.000 0.977 137 T CB 1.977 70.968 68.868 0.205 0.000 0.996 137 T HN 0.018 nan 8.240 nan 0.000 0.448 138 L N 4.261 125.577 121.223 0.154 0.000 2.322 138 L HA 0.709 5.050 4.340 0.001 0.000 0.281 138 L C -1.529 175.428 176.870 0.144 0.000 1.014 138 L CA -0.888 54.055 54.840 0.171 0.000 0.815 138 L CB 0.678 42.848 42.059 0.185 0.000 1.247 138 L HN 0.572 nan 8.230 nan 0.000 0.421 139 L N 5.568 126.844 121.223 0.088 0.000 2.329 139 L HA 0.608 4.949 4.340 0.001 0.000 0.279 139 L C -0.817 176.080 176.870 0.045 0.000 1.014 139 L CA -0.637 54.158 54.840 -0.074 0.000 0.814 139 L CB 1.630 43.513 42.059 -0.293 0.000 1.257 139 L HN 0.576 nan 8.230 nan 0.000 0.424 140 F N 0.538 120.460 119.950 -0.046 0.000 2.613 140 F HA 0.581 5.108 4.527 0.001 0.000 0.314 140 F C -1.132 174.703 175.800 0.058 0.000 1.075 140 F CA -1.272 56.742 58.000 0.022 0.000 0.945 140 F CB 1.058 40.084 39.000 0.044 0.000 1.310 140 F HN 0.259 nan 8.300 nan 0.000 0.467 141 Y N 2.117 122.511 120.300 0.156 0.000 2.320 141 Y HA 0.435 4.985 4.550 0.001 0.000 0.324 141 Y C -0.475 175.545 175.900 0.200 0.000 1.190 141 Y CA -0.402 57.733 58.100 0.059 0.000 1.215 141 Y CB 1.330 39.848 38.460 0.097 0.000 1.221 141 Y HN 0.845 nan 8.280 nan 0.000 0.486 142 Q N 5.506 125.002 119.800 -0.508 0.000 2.340 142 Q HA 0.225 4.565 4.340 0.001 0.000 0.268 142 Q C -1.142 174.415 176.000 -0.738 0.000 1.031 142 Q CA -0.579 55.040 55.803 -0.308 0.000 0.804 142 Q CB 1.262 29.899 28.738 -0.168 0.000 1.286 142 Q HN 0.878 nan 8.270 nan 0.000 0.448 143 F N 2.250 121.835 119.950 -0.609 0.000 2.500 143 F HA 0.368 4.896 4.527 0.001 0.000 0.285 143 F C 0.171 175.790 175.800 -0.302 0.000 1.088 143 F CA 0.239 57.861 58.000 -0.631 0.000 1.432 143 F CB 0.959 39.370 39.000 -0.982 0.000 1.131 143 F HN 0.442 nan 8.300 nan 0.000 0.582 144 S N 0.040 115.626 115.700 -0.190 0.000 2.542 144 S HA 0.441 4.912 4.470 0.001 0.000 0.293 144 S C -1.843 172.693 174.600 -0.108 0.000 1.089 144 S CA -1.470 56.590 58.200 -0.234 0.000 0.961 144 S CB 1.335 64.552 63.200 0.028 0.000 1.062 144 S HN -0.038 nan 8.310 nan 0.000 0.483 145 P HA 0.205 nan 4.420 nan 0.000 0.220 145 P C -0.122 177.040 177.300 -0.229 0.000 1.148 145 P CA 0.680 63.696 63.100 -0.140 0.000 0.803 145 P CB 0.072 31.721 31.700 -0.086 0.000 0.782 146 A N -1.502 121.165 122.820 -0.256 0.000 2.606 146 A HA 0.615 4.935 4.320 0.001 0.000 0.293 146 A C -3.066 174.311 177.584 -0.346 0.000 1.082 146 A CA -1.698 50.160 52.037 -0.298 0.000 0.685 146 A CB 0.572 19.455 19.000 -0.194 0.000 1.284 146 A HN -0.253 nan 8.150 nan 0.000 0.408 147 P HA 0.432 nan 4.420 nan 0.000 0.264 147 P C -0.297 176.778 177.300 -0.375 0.000 1.193 147 P CA 0.579 63.407 63.100 -0.454 0.000 0.763 147 P CB 0.953 32.453 31.700 -0.333 0.000 0.810 148 A N 2.587 125.106 122.820 -0.502 0.000 2.610 148 A HA 0.647 4.967 4.320 0.001 0.000 0.291 148 A C -1.571 175.780 177.584 -0.390 0.000 1.086 148 A CA -0.529 51.310 52.037 -0.330 0.000 0.677 148 A CB 1.253 20.108 19.000 -0.243 0.000 1.278 148 A HN 0.255 nan 8.150 nan 0.000 0.414 149 V N 0.874 120.606 119.914 -0.302 0.000 2.483 149 V HA 0.661 4.781 4.120 0.001 0.000 0.297 149 V C 0.737 176.501 176.094 -0.549 0.000 1.027 149 V CA -0.004 62.053 62.300 -0.406 0.000 0.855 149 V CB 1.645 33.278 31.823 -0.318 0.000 0.995 149 V HN 1.387 nan 8.190 nan 0.000 0.424 150 G N 3.244 111.450 108.800 -0.991 0.000 2.400 150 G HA2 0.557 4.518 3.960 0.001 0.000 0.301 150 G HA3 0.557 4.518 3.960 0.001 0.000 0.301 150 G C -0.843 173.679 174.900 -0.631 0.000 1.154 150 G CA -0.362 44.185 45.100 -0.921 0.000 0.852 150 G HN 0.555 nan 8.290 nan 0.000 0.511 151 V N 2.162 121.834 119.914 -0.403 0.000 2.357 151 V HA 0.353 4.473 4.120 0.001 0.000 0.284 151 V C -0.184 175.806 176.094 -0.173 0.000 1.018 151 V CA -0.627 61.496 62.300 -0.294 0.000 0.841 151 V CB 1.424 33.040 31.823 -0.344 0.000 0.991 151 V HN 0.503 nan 8.190 nan 0.000 0.437 152 V N 3.627 123.569 119.914 0.047 0.000 2.384 152 V HA 0.365 4.485 4.120 0.001 0.000 0.287 152 V C -0.273 175.864 176.094 0.071 0.000 1.020 152 V CA -0.576 61.798 62.300 0.124 0.000 0.850 152 V CB 1.916 33.891 31.823 0.253 0.000 0.987 152 V HN 0.918 nan 8.190 nan 0.000 0.436 153 D N 4.283 124.707 120.400 0.040 0.000 2.365 153 D HA 0.271 4.911 4.640 0.001 0.000 0.237 153 D C 0.885 177.193 176.300 0.014 0.000 1.190 153 D CA -0.074 53.944 54.000 0.031 0.000 0.867 153 D CB 1.092 41.901 40.800 0.016 0.000 1.050 153 D HN 0.426 nan 8.370 nan 0.000 0.491 154 L N 2.914 124.134 121.223 -0.006 0.000 2.156 154 L HA -0.028 4.313 4.340 0.001 0.000 0.208 154 L C 2.222 179.032 176.870 -0.099 0.000 1.095 154 L CA 0.725 55.519 54.840 -0.077 0.000 0.770 154 L CB -0.244 41.711 42.059 -0.172 0.000 0.914 154 L HN 0.556 nan 8.230 nan 0.000 0.439 155 E N 0.813 120.974 120.200 -0.064 0.000 2.107 155 E HA -0.150 4.201 4.350 0.001 0.000 0.191 155 E C 2.015 178.592 176.600 -0.037 0.000 0.982 155 E CA 1.219 57.585 56.400 -0.057 0.000 0.809 155 E CB -0.105 29.576 29.700 -0.032 0.000 0.756 155 E HN 0.368 nan 8.360 nan 0.000 0.459 156 G N 0.414 109.202 108.800 -0.019 0.000 2.985 156 G HA2 -0.051 3.910 3.960 0.001 0.000 0.209 156 G HA3 -0.051 3.910 3.960 0.001 0.000 0.209 156 G C 0.061 174.955 174.900 -0.009 0.000 1.165 156 G CA 0.117 45.210 45.100 -0.011 0.000 0.776 156 G HN 0.226 nan 8.290 nan 0.000 0.541 157 K N -1.253 119.138 120.400 -0.015 0.000 3.181 157 K HA -0.071 4.250 4.320 0.001 0.000 0.269 157 K C -0.113 176.503 176.600 0.026 0.000 1.097 157 K CA 0.257 56.540 56.287 -0.008 0.000 0.783 157 K CB -1.882 30.604 32.500 -0.024 0.000 1.267 157 K HN 0.723 nan 8.250 nan 0.000 0.484 158 A N 0.386 123.235 122.820 0.049 0.000 2.604 158 A HA 0.663 4.984 4.320 0.001 0.000 0.295 158 A C -1.150 176.518 177.584 0.140 0.000 1.067 158 A CA -0.890 51.203 52.037 0.094 0.000 0.683 158 A CB 0.821 19.861 19.000 0.068 0.000 1.281 158 A HN 0.259 nan 8.150 nan 0.000 0.407 159 F N 1.873 121.852 119.950 0.047 0.000 2.471 159 F HA 0.466 4.994 4.527 0.001 0.000 0.353 159 F C 1.011 176.845 175.800 0.056 0.000 1.113 159 F CA 0.081 58.125 58.000 0.072 0.000 1.262 159 F CB 0.915 39.963 39.000 0.080 0.000 1.146 159 F HN 0.568 nan 8.300 nan 0.000 0.578 160 K N 5.057 124.975 120.400 -0.805 0.000 2.216 160 K HA 0.209 4.530 4.320 0.001 0.000 0.207 160 K C -0.047 176.088 176.600 -0.775 0.000 1.041 160 K CA 0.485 56.445 56.287 -0.544 0.000 0.966 160 K CB -0.004 32.325 32.500 -0.285 0.000 0.955 160 K HN 0.805 nan 8.250 nan 0.000 0.468 161 R N -0.828 119.026 120.500 -1.076 0.000 2.780 161 R HA 0.341 4.682 4.340 0.001 0.000 0.280 161 R C -1.207 174.875 176.300 -0.363 0.000 1.016 161 R CA -0.754 54.991 56.100 -0.591 0.000 0.854 161 R CB 0.361 30.522 30.300 -0.231 0.000 1.293 161 R HN -0.185 nan 8.270 nan 0.000 0.483 162 M N 2.023 121.599 119.600 -0.039 0.000 2.300 162 M HA 0.435 4.915 4.480 0.001 0.000 0.348 162 M C -0.501 175.730 176.300 -0.115 0.000 1.151 162 M CA -0.680 54.587 55.300 -0.055 0.000 1.046 162 M CB 1.015 33.633 32.600 0.030 0.000 1.647 162 M HN 0.497 nan 8.290 nan 0.000 0.451 163 L N 3.001 124.124 121.223 -0.166 0.000 2.282 163 L HA 0.366 4.706 4.340 0.001 0.000 0.288 163 L C 0.031 176.843 176.870 -0.097 0.000 1.033 163 L CA -0.797 53.971 54.840 -0.120 0.000 0.807 163 L CB 1.061 43.043 42.059 -0.127 0.000 1.209 163 L HN 0.522 nan 8.230 nan 0.000 0.423 164 D N 2.886 123.244 120.400 -0.071 0.000 2.345 164 D HA 0.389 5.029 4.640 0.001 0.000 0.247 164 D C -0.087 176.180 176.300 -0.056 0.000 1.108 164 D CA 0.124 54.080 54.000 -0.075 0.000 0.894 164 D CB 2.355 43.120 40.800 -0.060 0.000 1.203 164 D HN 0.271 nan 8.370 nan 0.000 0.430 165 V N -0.715 119.162 119.914 -0.063 0.000 3.130 165 V HA 0.661 4.782 4.120 0.001 0.000 0.310 165 V C -2.696 173.378 176.094 -0.033 0.000 1.158 165 V CA -1.852 60.431 62.300 -0.029 0.000 1.029 165 V CB 1.485 33.319 31.823 0.020 0.000 1.057 165 V HN 0.296 nan 8.190 nan 0.000 0.436 166 P HA 0.274 nan 4.420 nan 0.000 0.307 166 P C -0.599 176.697 177.300 -0.007 0.000 1.306 166 P CA -0.148 62.967 63.100 0.024 0.000 0.742 166 P CB 0.197 31.966 31.700 0.116 0.000 1.349 167 D N -0.501 119.913 120.400 0.022 0.000 2.662 167 D HA 0.096 4.736 4.640 0.001 0.000 0.228 167 D C -0.767 175.550 176.300 0.027 0.000 1.093 167 D CA 0.147 54.154 54.000 0.012 0.000 1.075 167 D CB -1.350 39.513 40.800 0.105 0.000 1.122 167 D HN 0.143 nan 8.370 nan 0.000 0.475 168 c N 1.296 119.816 118.600 -0.134 0.000 2.848 168 c HA 0.667 5.238 4.570 0.001 0.000 0.317 168 c C -0.716 173.196 174.090 -0.295 0.000 1.260 168 c CA -0.935 55.391 56.329 -0.005 0.000 1.656 168 c CB 0.954 43.542 42.510 0.130 0.000 2.174 168 c HN 0.350 nan 8.230 nan 0.000 0.479 169 Y N -1.012 119.417 120.300 0.216 0.000 2.562 169 Y HA 0.612 5.162 4.550 0.001 0.000 0.345 169 Y C -0.091 175.910 175.900 0.168 0.000 1.045 169 Y CA -0.231 57.852 58.100 -0.029 0.000 1.028 169 Y CB 0.883 39.391 38.460 0.080 0.000 1.297 169 Y HN 0.988 nan 8.280 nan 0.000 0.463 170 H N 0.178 119.216 119.070 -0.053 0.000 4.850 170 H HA -0.039 4.518 4.556 0.001 0.000 0.264 170 H C -1.681 173.483 175.328 -0.274 0.000 0.536 170 H CA 0.138 56.102 56.048 -0.140 0.000 0.699 170 H CB -0.311 29.403 29.762 -0.080 0.000 0.876 170 H HN 0.634 nan 8.280 nan 0.000 0.309 171 I N 2.017 122.345 120.570 -0.403 0.000 2.529 171 I HA 0.257 4.428 4.170 0.001 0.000 0.284 171 I C -0.941 174.954 176.117 -0.370 0.000 1.088 171 I CA -0.252 60.888 61.300 -0.267 0.000 1.062 171 I CB 0.940 38.815 38.000 -0.210 0.000 1.218 171 I HN 0.227 nan 8.210 nan 0.000 0.442 172 F N 7.223 127.285 119.950 0.187 0.000 2.366 172 F HA 0.461 4.988 4.527 0.001 0.000 0.366 172 F C -2.395 173.511 175.800 0.175 0.000 1.096 172 F CA -2.653 55.265 58.000 -0.137 0.000 1.060 172 F CB 1.041 39.618 39.000 -0.705 0.000 1.282 172 F HN 0.145 nan 8.300 nan 0.000 0.450 173 P HA 0.215 nan 4.420 nan 0.000 0.280 173 P C 0.614 178.209 177.300 0.492 0.000 1.244 173 P CA -0.252 63.153 63.100 0.508 0.000 0.784 173 P CB 1.237 33.199 31.700 0.437 0.000 0.913 174 T N -0.508 114.308 114.554 0.436 0.000 2.985 174 T HA 0.629 4.980 4.350 0.001 0.000 0.254 174 T C 0.456 175.301 174.700 0.241 0.000 1.021 174 T CA 0.084 62.395 62.100 0.352 0.000 0.957 174 T CB 0.177 69.278 68.868 0.388 0.000 1.047 174 T HN 0.514 nan 8.240 nan 0.000 0.511 175 A N 1.301 124.256 122.820 0.224 0.000 2.467 175 A HA 0.707 5.027 4.320 0.001 0.000 0.301 175 A C -2.522 175.140 177.584 0.131 0.000 1.126 175 A CA -1.135 50.986 52.037 0.141 0.000 0.632 175 A CB 0.109 19.161 19.000 0.087 0.000 1.331 175 A HN -0.099 nan 8.150 nan 0.000 0.482 176 P HA 0.011 nan 4.420 nan 0.000 0.223 176 P C -0.018 177.236 177.300 -0.077 0.000 1.151 176 P CA 1.907 65.032 63.100 0.042 0.000 0.787 176 P CB 0.069 31.776 31.700 0.012 0.000 0.788 177 D N -3.196 117.078 120.400 -0.209 0.000 2.673 177 D HA 0.116 4.756 4.640 0.001 0.000 0.278 177 D C -0.468 175.570 176.300 -0.438 0.000 1.393 177 D CA -0.314 53.263 54.000 -0.705 0.000 0.805 177 D CB -0.336 40.072 40.800 -0.655 0.000 1.110 177 D HN -0.151 nan 8.370 nan 0.000 0.476 178 T N 0.415 114.975 114.554 0.011 0.000 2.956 178 T HA 0.634 4.984 4.350 0.001 0.000 0.312 178 T C -1.115 173.747 174.700 0.271 0.000 1.151 178 T CA -0.770 61.353 62.100 0.038 0.000 1.024 178 T CB 1.561 70.410 68.868 -0.032 0.000 1.140 178 T HN 0.183 nan 8.240 nan 0.000 0.473 179 F N 0.171 120.179 119.950 0.098 0.000 2.668 179 F HA 0.879 5.406 4.527 0.001 0.000 0.309 179 F C -2.087 173.695 175.800 -0.029 0.000 1.117 179 F CA -1.727 56.372 58.000 0.165 0.000 0.951 179 F CB 0.840 39.964 39.000 0.207 0.000 1.323 179 F HN 0.402 nan 8.300 nan 0.000 0.451 180 F N 1.942 122.120 119.950 0.380 0.000 2.483 180 F HA 0.824 5.352 4.527 0.001 0.000 0.329 180 F C 0.064 176.166 175.800 0.504 0.000 1.064 180 F CA -0.874 57.308 58.000 0.303 0.000 0.986 180 F CB 2.138 41.266 39.000 0.215 0.000 1.218 180 F HN 0.392 nan 8.300 nan 0.000 0.484 181 M N 1.198 121.149 119.600 0.585 0.000 2.631 181 M HA 0.304 4.785 4.480 0.001 0.000 0.288 181 M C -1.206 175.482 176.300 0.647 0.000 1.260 181 M CA -0.786 54.861 55.300 0.579 0.000 0.842 181 M CB 2.712 35.551 32.600 0.399 0.000 1.743 181 M HN 0.559 nan 8.290 nan 0.000 0.461 182 H N 0.933 120.382 119.070 0.632 0.000 2.519 182 H HA 0.441 4.997 4.556 0.001 0.000 0.316 182 H C -1.552 174.053 175.328 0.460 0.000 1.065 182 H CA -0.547 55.829 56.048 0.547 0.000 1.264 182 H CB 1.008 31.095 29.762 0.542 0.000 1.413 182 H HN 0.763 nan 8.280 nan 0.000 0.465 183 c N 5.022 123.589 118.600 -0.055 0.000 2.351 183 c HA 0.227 4.798 4.570 0.001 0.000 0.359 183 c C 2.154 176.157 174.090 -0.144 0.000 1.193 183 c CA -0.851 55.482 56.329 0.008 0.000 2.270 183 c CB 1.176 43.789 42.510 0.171 0.000 2.369 183 c HN 0.919 nan 8.230 nan 0.000 0.553 184 R N 1.432 121.980 120.500 0.080 0.000 2.159 184 R HA -0.146 4.195 4.340 0.001 0.000 0.237 184 R C 1.395 177.676 176.300 -0.032 0.000 1.131 184 R CA 2.335 58.467 56.100 0.053 0.000 0.982 184 R CB -0.490 29.906 30.300 0.161 0.000 0.868 184 R HN 0.949 nan 8.270 nan 0.000 0.453 185 D N -1.705 118.669 120.400 -0.044 0.000 2.363 185 D HA -0.003 4.637 4.640 0.001 0.000 0.220 185 D C 1.133 177.301 176.300 -0.221 0.000 0.994 185 D CA 1.049 54.990 54.000 -0.098 0.000 0.890 185 D CB -0.105 40.648 40.800 -0.078 0.000 0.906 185 D HN 0.373 nan 8.370 nan 0.000 0.530 186 G N -0.383 108.238 108.800 -0.297 0.000 2.179 186 G HA2 -0.225 3.736 3.960 0.001 0.000 0.220 186 G HA3 -0.225 3.736 3.960 0.001 0.000 0.220 186 G C 0.323 174.992 174.900 -0.385 0.000 0.990 186 G CA 0.318 45.013 45.100 -0.676 0.000 0.646 186 G HN 0.833 nan 8.290 nan 0.000 0.517 187 S N -0.411 115.273 115.700 -0.026 0.000 2.722 187 S HA 0.862 5.333 4.470 0.001 0.000 0.292 187 S C 0.099 174.972 174.600 0.456 0.000 1.135 187 S CA -0.948 57.406 58.200 0.256 0.000 1.003 187 S CB 2.178 65.549 63.200 0.285 0.000 1.067 187 S HN 0.578 nan 8.310 nan 0.000 0.546 188 L N 0.922 122.471 121.223 0.544 0.000 2.334 188 L HA 0.734 5.074 4.340 0.001 0.000 0.275 188 L C 0.164 177.204 176.870 0.284 0.000 1.036 188 L CA -0.931 54.213 54.840 0.507 0.000 0.807 188 L CB 1.629 44.006 42.059 0.530 0.000 1.231 188 L HN 0.934 nan 8.230 nan 0.000 0.438 189 A N 2.702 125.603 122.820 0.135 0.000 2.330 189 A HA 0.506 4.826 4.320 0.001 0.000 0.327 189 A C -0.739 176.704 177.584 -0.235 0.000 1.155 189 A CA -0.632 51.271 52.037 -0.223 0.000 0.803 189 A CB 1.212 19.960 19.000 -0.420 0.000 1.208 189 A HN 0.675 nan 8.150 nan 0.000 0.477 190 K N 2.283 122.434 120.400 -0.415 0.000 2.240 190 K HA 0.549 4.870 4.320 0.001 0.000 0.271 190 K C -1.459 174.781 176.600 -0.601 0.000 1.018 190 K CA -0.304 55.502 56.287 -0.802 0.000 0.874 190 K CB 1.019 33.097 32.500 -0.703 0.000 1.098 190 K HN 0.430 nan 8.250 nan 0.000 0.458 191 V N 3.668 123.123 119.914 -0.766 0.000 2.334 191 V HA 0.440 4.560 4.120 0.001 0.000 0.281 191 V C -0.307 175.470 176.094 -0.528 0.000 1.016 191 V CA -0.906 60.977 62.300 -0.695 0.000 0.832 191 V CB 1.061 32.207 31.823 -1.129 0.000 0.999 191 V HN 0.869 nan 8.190 nan 0.000 0.439 192 A N 6.188 128.849 122.820 -0.264 0.000 2.288 192 A HA 0.958 5.278 4.320 0.001 0.000 0.320 192 A C -0.702 176.875 177.584 -0.011 0.000 1.217 192 A CA -0.382 51.561 52.037 -0.157 0.000 0.840 192 A CB 0.627 19.532 19.000 -0.158 0.000 1.179 192 A HN 0.916 nan 8.150 nan 0.000 0.504 193 F N -0.052 119.833 119.950 -0.108 0.000 2.764 193 F HA 0.831 5.359 4.527 0.001 0.000 0.347 193 F C 0.711 176.495 175.800 -0.026 0.000 1.151 193 F CA -0.954 57.012 58.000 -0.056 0.000 1.021 193 F CB 0.706 39.698 39.000 -0.014 0.000 1.438 193 F HN 1.382 nan 8.300 nan 0.000 0.516 194 G N 0.670 109.505 108.800 0.058 0.000 2.401 194 G HA2 0.127 4.087 3.960 0.001 0.000 0.283 194 G HA3 0.127 4.087 3.960 0.001 0.000 0.283 194 G C -0.319 174.533 174.900 -0.081 0.000 1.117 194 G CA 0.099 45.145 45.100 -0.089 0.000 1.051 194 G HN 1.136 nan 8.290 nan 0.000 0.510 195 T N 0.498 115.044 114.554 -0.013 0.000 3.688 195 T HA 0.169 4.519 4.350 0.001 0.000 0.235 195 T C 0.270 174.981 174.700 0.018 0.000 0.649 195 T CA -0.563 61.530 62.100 -0.011 0.000 1.302 195 T CB 0.516 69.370 68.868 -0.024 0.000 1.026 195 T HN 0.485 nan 8.240 nan 0.000 0.551 196 E N 0.601 120.815 120.200 0.023 0.000 2.521 196 E HA 0.228 4.578 4.350 0.001 0.000 0.269 196 E C 1.392 178.005 176.600 0.022 0.000 1.182 196 E CA 1.779 58.199 56.400 0.033 0.000 1.053 196 E CB 0.331 30.044 29.700 0.021 0.000 1.013 196 E HN 0.807 nan 8.360 nan 0.000 0.470 197 G N 0.587 109.398 108.800 0.018 0.000 4.794 197 G HA2 -0.247 3.714 3.960 0.001 0.000 0.275 197 G HA3 -0.247 3.714 3.960 0.001 0.000 0.275 197 G C 0.140 175.045 174.900 0.009 0.000 1.648 197 G CA 0.276 45.382 45.100 0.009 0.000 1.154 197 G HN 0.630 nan 8.290 nan 0.000 0.680 198 T N 3.894 118.455 114.554 0.010 0.000 2.912 198 T HA 0.668 5.019 4.350 0.001 0.000 0.299 198 T C -2.685 172.023 174.700 0.013 0.000 1.052 198 T CA -0.310 61.794 62.100 0.006 0.000 0.996 198 T CB 2.568 71.433 68.868 -0.003 0.000 1.070 198 T HN 0.460 nan 8.240 nan 0.000 0.465 199 P HA 0.262 nan 4.420 nan 0.000 0.274 199 P C -0.733 176.553 177.300 -0.023 0.000 1.237 199 P CA -0.449 62.661 63.100 0.017 0.000 0.793 199 P CB 0.598 32.301 31.700 0.005 0.000 0.977 200 E N 1.572 121.746 120.200 -0.042 0.000 2.130 200 E HA 0.336 4.687 4.350 0.001 0.000 0.284 200 E C -0.852 175.684 176.600 -0.106 0.000 1.018 200 E CA -0.412 55.951 56.400 -0.061 0.000 0.817 200 E CB 0.056 29.717 29.700 -0.065 0.000 1.078 200 E HN 0.326 nan 8.360 nan 0.000 0.396 201 I N 4.314 124.832 120.570 -0.087 0.000 2.389 201 I HA 0.266 4.437 4.170 0.001 0.000 0.288 201 I C -0.444 175.625 176.117 -0.079 0.000 0.999 201 I CA -0.557 60.668 61.300 -0.125 0.000 1.129 201 I CB 2.081 40.023 38.000 -0.097 0.000 1.288 201 I HN 0.453 nan 8.210 nan 0.000 0.444 202 T N 3.920 118.396 114.554 -0.130 0.000 2.863 202 T HA 0.468 4.819 4.350 0.001 0.000 0.285 202 T C -0.592 174.070 174.700 -0.063 0.000 1.009 202 T CA -0.669 61.410 62.100 -0.035 0.000 0.989 202 T CB 1.453 70.297 68.868 -0.040 0.000 1.004 202 T HN 0.388 nan 8.240 nan 0.000 0.455 203 H N 1.125 120.217 119.070 0.037 0.000 2.499 203 H HA 0.475 5.031 4.556 0.001 0.000 0.340 203 H C 0.592 175.998 175.328 0.130 0.000 1.148 203 H CA -0.601 55.499 56.048 0.088 0.000 1.215 203 H CB 1.877 31.681 29.762 0.071 0.000 1.529 203 H HN 0.751 nan 8.280 nan 0.000 0.510 204 T N -0.460 114.290 114.554 0.326 0.000 2.770 204 T HA 0.122 4.473 4.350 0.001 0.000 0.281 204 T C 0.592 175.456 174.700 0.273 0.000 0.981 204 T CA -0.877 61.423 62.100 0.334 0.000 0.955 204 T CB 1.357 70.526 68.868 0.502 0.000 1.060 204 T HN 0.464 nan 8.240 nan 0.000 0.531 205 E N -0.537 119.797 120.200 0.224 0.000 2.391 205 E HA 0.345 4.696 4.350 0.001 0.000 0.255 205 E C -0.661 175.960 176.600 0.035 0.000 1.187 205 E CA -0.404 56.050 56.400 0.089 0.000 0.941 205 E CB 0.467 30.191 29.700 0.039 0.000 1.010 205 E HN 0.513 nan 8.360 nan 0.000 0.458 206 V N 4.471 124.347 119.914 -0.062 0.000 2.479 206 V HA -0.019 4.102 4.120 0.001 0.000 0.281 206 V C 0.666 176.606 176.094 -0.255 0.000 1.031 206 V CA 0.579 62.775 62.300 -0.173 0.000 1.038 206 V CB -0.133 31.558 31.823 -0.219 0.000 0.981 206 V HN 0.681 nan 8.190 nan 0.000 0.478 207 F N 3.690 123.356 119.950 -0.472 0.000 2.721 207 F HA 0.402 4.930 4.527 0.001 0.000 0.301 207 F C 0.549 176.117 175.800 -0.387 0.000 1.096 207 F CA -0.283 57.374 58.000 -0.572 0.000 1.308 207 F CB -0.362 38.084 39.000 -0.922 0.000 1.086 207 F HN 0.659 nan 8.300 nan 0.000 0.587 208 H N -2.025 116.605 119.070 -0.733 0.000 3.046 208 H HA 0.725 5.282 4.556 0.001 0.000 0.361 208 H C -3.363 171.722 175.328 -0.405 0.000 1.235 208 H CA -2.655 53.040 56.048 -0.589 0.000 1.146 208 H CB 0.773 30.022 29.762 -0.855 0.000 1.859 208 H HN -0.237 nan 8.280 nan 0.000 0.548 209 P HA 0.120 nan 4.420 nan 0.000 0.276 209 P C 0.378 177.592 177.300 -0.143 0.000 1.261 209 P CA -0.461 62.525 63.100 -0.191 0.000 0.800 209 P CB 1.246 32.860 31.700 -0.143 0.000 1.066 210 E N 0.292 120.397 120.200 -0.158 0.000 2.265 210 E HA -0.184 4.166 4.350 0.001 0.000 0.196 210 E C 0.542 176.998 176.600 -0.239 0.000 0.996 210 E CA 1.290 57.617 56.400 -0.122 0.000 0.832 210 E CB -0.041 29.618 29.700 -0.069 0.000 0.756 210 E HN 0.548 nan 8.360 nan 0.000 0.491 211 D N -0.441 119.758 120.400 -0.335 0.000 2.369 211 D HA 0.013 4.653 4.640 0.001 0.000 0.211 211 D C 0.112 175.880 176.300 -0.886 0.000 1.077 211 D CA 0.043 53.707 54.000 -0.561 0.000 0.842 211 D CB -0.082 40.565 40.800 -0.255 0.000 0.947 211 D HN -0.047 nan 8.370 nan 0.000 0.509 212 E N 0.126 119.897 120.200 -0.716 0.000 2.109 212 E HA 0.267 4.617 4.350 0.001 0.000 0.278 212 E C -0.994 175.139 176.600 -0.779 0.000 0.954 212 E CA -0.709 55.328 56.400 -0.605 0.000 0.779 212 E CB 0.797 30.330 29.700 -0.278 0.000 1.093 212 E HN 0.001 nan 8.360 nan 0.000 0.401 213 F N 3.509 123.212 119.950 -0.412 0.000 2.391 213 F HA 0.256 4.783 4.527 0.001 0.000 0.359 213 F C -0.063 175.422 175.800 -0.525 0.000 1.122 213 F CA -0.866 56.775 58.000 -0.598 0.000 1.120 213 F CB 0.381 38.731 39.000 -1.083 0.000 1.142 213 F HN 0.259 nan 8.300 nan 0.000 0.483 214 L N 5.152 126.168 121.223 -0.345 0.000 2.290 214 L HA 0.362 4.702 4.340 0.001 0.000 0.284 214 L C 0.506 177.434 176.870 0.097 0.000 1.078 214 L CA -0.392 54.245 54.840 -0.339 0.000 0.815 214 L CB 0.316 41.691 42.059 -1.141 0.000 1.162 214 L HN 0.504 nan 8.230 nan 0.000 0.435 215 I N 0.013 120.800 120.570 0.362 0.000 3.246 215 I HA 0.094 4.264 4.170 0.001 0.000 0.280 215 I C 0.920 177.221 176.117 0.307 0.000 1.239 215 I CA -0.041 61.487 61.300 0.380 0.000 1.336 215 I CB 0.417 38.624 38.000 0.345 0.000 1.383 215 I HN 0.513 nan 8.210 nan 0.000 0.617 216 N N 0.560 119.290 118.700 0.050 0.000 2.467 216 N HA -0.020 4.721 4.740 0.001 0.000 0.184 216 N C -0.419 174.685 175.510 -0.677 0.000 1.106 216 N CA 0.733 53.555 53.050 -0.380 0.000 0.892 216 N CB -0.318 37.563 38.487 -1.008 0.000 0.969 216 N HN 0.644 nan 8.380 nan 0.000 0.454 217 H N -0.046 118.881 119.070 -0.238 0.000 2.348 217 H HA 0.290 4.846 4.556 0.001 0.000 0.232 217 H C -2.218 173.000 175.328 -0.184 0.000 1.419 217 H CA -1.494 54.440 56.048 -0.190 0.000 1.416 217 H CB 0.875 30.521 29.762 -0.194 0.000 1.510 217 H HN 0.101 nan 8.280 nan 0.000 0.507 218 P HA 0.239 nan 4.420 nan 0.000 0.274 218 P C -0.280 176.916 177.300 -0.174 0.000 1.246 218 P CA -0.488 62.255 63.100 -0.594 0.000 0.795 218 P CB 1.243 31.999 31.700 -1.574 0.000 1.006 219 A N 1.428 124.179 122.820 -0.114 0.000 2.312 219 A HA 0.558 4.879 4.320 0.001 0.000 0.326 219 A C -1.393 176.147 177.584 -0.073 0.000 1.172 219 A CA -0.329 51.751 52.037 0.072 0.000 0.821 219 A CB 0.330 19.424 19.000 0.157 0.000 1.166 219 A HN 0.574 nan 8.150 nan 0.000 0.493 220 Y N 1.759 121.938 120.300 -0.201 0.000 2.386 220 Y HA 0.544 5.095 4.550 0.001 0.000 0.334 220 Y C -0.346 175.466 175.900 -0.146 0.000 1.002 220 Y CA -0.995 56.829 58.100 -0.460 0.000 1.068 220 Y CB 2.039 39.844 38.460 -1.091 0.000 1.203 220 Y HN 0.599 nan 8.280 nan 0.000 0.443 221 S N 5.759 121.140 115.700 -0.532 0.000 2.461 221 S HA 0.182 4.653 4.470 0.001 0.000 0.322 221 S C 0.812 174.930 174.600 -0.804 0.000 1.063 221 S CA -0.416 57.547 58.200 -0.394 0.000 1.120 221 S CB 0.991 64.207 63.200 0.028 0.000 0.968 221 S HN 0.996 nan 8.310 nan 0.000 0.467 222 Q N 4.466 123.789 119.800 -0.794 0.000 2.124 222 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 222 Q C 1.571 177.448 176.000 -0.205 0.000 0.977 222 Q CA 1.576 57.044 55.803 -0.559 0.000 0.850 222 Q CB -0.004 28.656 28.738 -0.130 0.000 0.901 222 Q HN 0.756 nan 8.270 nan 0.000 0.429 223 K N -0.412 119.912 120.400 -0.128 0.000 2.097 223 K HA -0.088 4.233 4.320 0.001 0.000 0.206 223 K C 1.808 178.381 176.600 -0.046 0.000 1.049 223 K CA 1.210 57.467 56.287 -0.051 0.000 0.933 223 K CB -0.032 32.451 32.500 -0.028 0.000 0.717 223 K HN 0.226 nan 8.250 nan 0.000 0.442 224 A N 0.100 122.884 122.820 -0.059 0.000 2.178 224 A HA 0.202 4.523 4.320 0.001 0.000 0.211 224 A C 1.298 178.849 177.584 -0.056 0.000 1.157 224 A CA 0.690 52.715 52.037 -0.020 0.000 0.780 224 A CB -0.150 18.889 19.000 0.065 0.000 0.828 224 A HN 0.380 nan 8.150 nan 0.000 0.476 225 G N -0.688 108.046 108.800 -0.110 0.000 2.221 225 G HA2 -0.258 3.702 3.960 0.001 0.000 0.265 225 G HA3 -0.258 3.702 3.960 0.001 0.000 0.265 225 G C 0.120 174.975 174.900 -0.075 0.000 1.041 225 G CA 0.595 45.664 45.100 -0.052 0.000 0.807 225 G HN 0.731 nan 8.290 nan 0.000 0.502 226 R N -0.224 120.186 120.500 -0.150 0.000 2.343 226 R HA 0.730 5.070 4.340 0.001 0.000 0.320 226 R C -0.449 175.717 176.300 -0.224 0.000 0.956 226 R CA -0.992 54.965 56.100 -0.238 0.000 0.836 226 R CB 0.776 30.839 30.300 -0.394 0.000 1.151 226 R HN 0.228 nan 8.270 nan 0.000 0.450 227 L N 5.356 126.424 121.223 -0.258 0.000 2.287 227 L HA 0.545 4.885 4.340 0.001 0.000 0.287 227 L C -1.058 175.633 176.870 -0.299 0.000 1.022 227 L CA -1.023 53.614 54.840 -0.338 0.000 0.814 227 L CB 1.707 43.435 42.059 -0.550 0.000 1.217 227 L HN 0.440 nan 8.230 nan 0.000 0.420 228 V N 4.663 124.413 119.914 -0.274 0.000 2.357 228 V HA 0.350 4.471 4.120 0.001 0.000 0.284 228 V C -0.923 175.152 176.094 -0.032 0.000 1.018 228 V CA -0.486 61.727 62.300 -0.144 0.000 0.841 228 V CB 1.606 33.333 31.823 -0.160 0.000 0.991 228 V HN 0.629 nan 8.190 nan 0.000 0.437 229 W N 8.733 130.002 121.300 -0.052 0.000 2.543 229 W HA 0.527 5.187 4.660 0.001 0.000 0.318 229 W C -3.002 173.553 176.519 0.059 0.000 1.002 229 W CA -2.693 54.643 57.345 -0.015 0.000 1.302 229 W CB 2.452 31.885 29.460 -0.045 0.000 1.299 229 W HN 0.384 nan 8.180 nan 0.000 0.424 230 P HA 0.313 nan 4.420 nan 0.000 0.279 230 P C 0.088 177.552 177.300 0.273 0.000 1.252 230 P CA 0.195 63.451 63.100 0.261 0.000 0.811 230 P CB 1.486 33.308 31.700 0.204 0.000 1.035 231 T N -1.986 112.672 114.554 0.172 0.000 2.922 231 T HA 0.271 4.622 4.350 0.001 0.000 0.281 231 T C 0.853 175.702 174.700 0.249 0.000 1.005 231 T CA -0.216 61.962 62.100 0.128 0.000 0.982 231 T CB 0.070 68.952 68.868 0.024 0.000 1.158 231 T HN 0.134 nan 8.240 nan 0.000 0.566 232 Y N 1.038 121.371 120.300 0.055 0.000 2.365 232 Y HA -0.057 4.494 4.550 0.001 0.000 0.287 232 Y C 2.965 178.875 175.900 0.016 0.000 1.162 232 Y CA 1.661 59.778 58.100 0.029 0.000 1.260 232 Y CB -1.317 37.136 38.460 -0.011 0.000 0.976 232 Y HN 0.905 nan 8.280 nan 0.000 0.548 233 T N -4.666 109.989 114.554 0.169 0.000 3.086 233 T HA 0.405 4.756 4.350 0.001 0.000 0.250 233 T C 1.706 176.452 174.700 0.076 0.000 1.074 233 T CA 0.557 62.712 62.100 0.090 0.000 0.988 233 T CB -0.014 68.879 68.868 0.042 0.000 0.988 233 T HN 0.399 nan 8.240 nan 0.000 0.530 234 G N 1.470 110.325 108.800 0.091 0.000 2.176 234 G HA2 -0.244 3.717 3.960 0.001 0.000 0.232 234 G HA3 -0.244 3.717 3.960 0.001 0.000 0.232 234 G C -0.054 174.863 174.900 0.029 0.000 0.986 234 G CA 0.063 45.206 45.100 0.071 0.000 0.643 234 G HN 0.836 nan 8.290 nan 0.000 0.522 235 K N 0.699 121.103 120.400 0.006 0.000 2.350 235 K HA 0.556 4.876 4.320 0.001 0.000 0.279 235 K C 0.038 176.598 176.600 -0.067 0.000 1.027 235 K CA -0.394 55.856 56.287 -0.061 0.000 0.969 235 K CB 0.159 32.597 32.500 -0.103 0.000 0.954 235 K HN 0.249 nan 8.250 nan 0.000 0.474 236 I N 5.107 125.612 120.570 -0.108 0.000 2.389 236 I HA 0.181 4.351 4.170 0.001 0.000 0.288 236 I C -0.057 175.978 176.117 -0.137 0.000 0.999 236 I CA -0.868 60.401 61.300 -0.052 0.000 1.129 236 I CB 1.210 39.207 38.000 -0.004 0.000 1.288 236 I HN 0.565 nan 8.210 nan 0.000 0.444 237 H N 6.086 125.217 119.070 0.102 0.000 2.502 237 H HA 0.416 4.973 4.556 0.001 0.000 0.327 237 H C -0.663 174.701 175.328 0.060 0.000 1.099 237 H CA -0.247 55.871 56.048 0.117 0.000 1.323 237 H CB 1.663 31.567 29.762 0.236 0.000 1.450 237 H HN 0.520 nan 8.280 nan 0.000 0.502 238 Q N 2.398 122.260 119.800 0.104 0.000 2.353 238 Q HA 0.463 4.803 4.340 0.001 0.000 0.268 238 Q C -0.819 175.139 176.000 -0.070 0.000 1.045 238 Q CA -0.848 54.941 55.803 -0.024 0.000 0.811 238 Q CB 2.543 31.238 28.738 -0.072 0.000 1.305 238 Q HN 0.451 nan 8.270 nan 0.000 0.447 239 I N 1.311 121.759 120.570 -0.204 0.000 2.498 239 I HA 0.188 4.358 4.170 0.001 0.000 0.290 239 I C -0.827 175.071 176.117 -0.364 0.000 1.032 239 I CA -0.582 60.502 61.300 -0.361 0.000 1.073 239 I CB 1.937 39.618 38.000 -0.532 0.000 1.251 239 I HN 0.462 nan 8.210 nan 0.000 0.426 240 D N 6.208 126.392 120.400 -0.361 0.000 2.317 240 D HA 0.385 5.025 4.640 0.001 0.000 0.234 240 D C 0.069 176.166 176.300 -0.338 0.000 1.112 240 D CA -0.104 53.727 54.000 -0.282 0.000 0.840 240 D CB 1.063 41.746 40.800 -0.195 0.000 1.078 240 D HN 0.471 nan 8.370 nan 0.000 0.486 241 L N 2.845 123.892 121.223 -0.294 0.000 2.728 241 L HA 0.095 4.435 4.340 0.001 0.000 0.238 241 L C 2.012 178.800 176.870 -0.137 0.000 1.143 241 L CA -0.065 54.582 54.840 -0.321 0.000 0.937 241 L CB -0.011 41.799 42.059 -0.415 0.000 1.225 241 L HN 0.385 nan 8.230 nan 0.000 0.507 242 S N -0.426 115.215 115.700 -0.098 0.000 2.419 242 S HA -0.190 4.280 4.470 0.001 0.000 0.233 242 S C 2.135 176.721 174.600 -0.024 0.000 1.016 242 S CA 1.277 59.452 58.200 -0.041 0.000 0.974 242 S CB -0.442 62.735 63.200 -0.038 0.000 0.786 242 S HN 0.547 nan 8.310 nan 0.000 0.492 243 S N 0.885 116.559 115.700 -0.043 0.000 2.474 243 S HA 0.313 4.783 4.470 0.001 0.000 0.235 243 S C 1.766 176.373 174.600 0.011 0.000 0.997 243 S CA 0.849 59.036 58.200 -0.020 0.000 0.949 243 S CB -0.855 62.325 63.200 -0.034 0.000 0.766 243 S HN 1.543 nan 8.310 nan 0.000 0.517 244 G N 0.125 108.942 108.800 0.028 0.000 2.176 244 G HA2 -0.144 3.816 3.960 0.001 0.000 0.232 244 G HA3 -0.144 3.816 3.960 0.001 0.000 0.232 244 G C -0.375 174.632 174.900 0.178 0.000 0.986 244 G CA 0.177 45.341 45.100 0.107 0.000 0.643 244 G HN 0.570 nan 8.290 nan 0.000 0.522 245 D N -0.030 120.415 120.400 0.075 0.000 2.547 245 D HA 0.633 5.274 4.640 0.001 0.000 0.231 245 D C 0.183 176.401 176.300 -0.138 0.000 1.099 245 D CA 0.297 54.354 54.000 0.095 0.000 0.901 245 D CB 1.796 42.630 40.800 0.058 0.000 1.478 245 D HN 0.561 nan 8.370 nan 0.000 0.471 246 A N 1.588 124.277 122.820 -0.218 0.000 2.362 246 A HA 0.333 4.653 4.320 0.001 0.000 0.276 246 A C -0.081 177.169 177.584 -0.557 0.000 1.153 246 A CA -0.082 51.623 52.037 -0.554 0.000 0.813 246 A CB 0.220 18.804 19.000 -0.693 0.000 1.081 246 A HN 0.318 nan 8.150 nan 0.000 0.507 247 K N 2.609 122.663 120.400 -0.576 0.000 2.307 247 K HA 0.451 4.772 4.320 0.001 0.000 0.263 247 K C -1.459 174.825 176.600 -0.527 0.000 0.973 247 K CA -0.152 55.882 56.287 -0.422 0.000 0.846 247 K CB 1.429 33.805 32.500 -0.208 0.000 1.100 247 K HN 0.584 nan 8.250 nan 0.000 0.438 248 F N 2.237 122.125 119.950 -0.103 0.000 2.389 248 F HA 0.262 4.790 4.527 0.001 0.000 0.337 248 F C 0.355 176.119 175.800 -0.061 0.000 1.112 248 F CA -0.755 57.182 58.000 -0.105 0.000 1.192 248 F CB 0.423 39.383 39.000 -0.066 0.000 1.185 248 F HN 0.149 nan 8.300 nan 0.000 0.552 249 L N 3.054 124.355 121.223 0.130 0.000 2.322 249 L HA 0.576 4.916 4.340 0.001 0.000 0.269 249 L C -2.120 174.805 176.870 0.092 0.000 1.012 249 L CA -2.256 52.624 54.840 0.066 0.000 0.815 249 L CB 0.379 42.441 42.059 0.006 0.000 1.295 249 L HN 0.368 nan 8.230 nan 0.000 0.438 250 P HA 0.289 nan 4.420 nan 0.000 0.271 250 P C -0.996 176.307 177.300 0.004 0.000 1.216 250 P CA -0.511 62.610 63.100 0.035 0.000 0.776 250 P CB 0.564 32.271 31.700 0.012 0.000 0.881 251 A N 2.816 125.618 122.820 -0.030 0.000 2.445 251 A HA 0.372 4.693 4.320 0.001 0.000 0.242 251 A C -0.000 177.521 177.584 -0.104 0.000 1.075 251 A CA -0.231 51.724 52.037 -0.135 0.000 0.777 251 A CB 0.116 18.921 19.000 -0.325 0.000 1.013 251 A HN 0.402 nan 8.150 nan 0.000 0.493 252 V N 2.318 122.167 119.914 -0.107 0.000 2.581 252 V HA 0.309 4.430 4.120 0.001 0.000 0.303 252 V C -0.141 175.903 176.094 -0.082 0.000 1.041 252 V CA -0.710 61.544 62.300 -0.076 0.000 0.907 252 V CB 1.802 33.591 31.823 -0.056 0.000 0.994 252 V HN 0.934 nan 8.190 nan 0.000 0.442 253 E N 2.390 122.549 120.200 -0.069 0.000 2.200 253 E HA 0.403 4.753 4.350 0.001 0.000 0.283 253 E C 0.622 177.187 176.600 -0.058 0.000 1.015 253 E CA -0.132 56.231 56.400 -0.062 0.000 0.819 253 E CB 1.979 31.644 29.700 -0.057 0.000 1.081 253 E HN 0.741 nan 8.360 nan 0.000 0.397 254 A N 4.329 127.123 122.820 -0.044 0.000 2.016 254 A HA 0.055 4.375 4.320 0.001 0.000 0.217 254 A C 0.870 178.409 177.584 -0.075 0.000 1.162 254 A CA 0.670 52.677 52.037 -0.050 0.000 0.662 254 A CB 0.166 19.155 19.000 -0.018 0.000 0.812 254 A HN 0.501 nan 8.150 nan 0.000 0.450 255 L N 0.339 121.523 121.223 -0.065 0.000 2.334 255 L HA 0.380 4.720 4.340 0.001 0.000 0.273 255 L C 0.683 177.495 176.870 -0.097 0.000 1.013 255 L CA -0.782 53.998 54.840 -0.099 0.000 0.816 255 L CB 2.008 44.039 42.059 -0.048 0.000 1.278 255 L HN 0.273 nan 8.230 nan 0.000 0.431 256 T N -2.512 111.962 114.554 -0.133 0.000 2.766 256 T HA 0.114 4.464 4.350 0.001 0.000 0.295 256 T C 0.860 175.516 174.700 -0.073 0.000 1.024 256 T CA -0.423 61.614 62.100 -0.105 0.000 1.018 256 T CB 0.911 69.702 68.868 -0.128 0.000 1.002 256 T HN 0.681 nan 8.240 nan 0.000 0.532 257 E N 0.522 120.689 120.200 -0.054 0.000 2.153 257 E HA -0.085 4.265 4.350 0.001 0.000 0.194 257 E C 2.406 178.992 176.600 -0.024 0.000 0.988 257 E CA 1.111 57.491 56.400 -0.032 0.000 0.811 257 E CB -0.389 29.295 29.700 -0.028 0.000 0.746 257 E HN 0.782 nan 8.360 nan 0.000 0.466 258 A N 1.230 124.025 122.820 -0.041 0.000 1.898 258 A HA -0.229 4.092 4.320 0.001 0.000 0.216 258 A C 1.908 179.485 177.584 -0.012 0.000 1.181 258 A CA 1.413 53.433 52.037 -0.030 0.000 0.620 258 A CB -0.329 18.640 19.000 -0.052 0.000 0.819 258 A HN 0.149 nan 8.150 nan 0.000 0.442 259 E N -0.462 119.693 120.200 -0.075 0.000 2.077 259 E HA -0.172 4.178 4.350 0.001 0.000 0.193 259 E C 2.330 179.021 176.600 0.151 0.000 0.989 259 E CA 1.094 57.447 56.400 -0.079 0.000 0.800 259 E CB -0.157 29.301 29.700 -0.404 0.000 0.746 259 E HN 0.527 nan 8.360 nan 0.000 0.452 260 R N 0.409 120.950 120.500 0.068 0.000 2.096 260 R HA -0.064 4.276 4.340 0.001 0.000 0.235 260 R C 2.332 178.681 176.300 0.081 0.000 1.127 260 R CA 1.094 57.246 56.100 0.088 0.000 0.968 260 R CB -0.261 30.062 30.300 0.037 0.000 0.861 260 R HN 0.094 nan 8.270 nan 0.000 0.440 261 A N 0.911 123.766 122.820 0.058 0.000 2.015 261 A HA -0.157 4.163 4.320 0.001 0.000 0.219 261 A C 1.347 178.971 177.584 0.066 0.000 1.163 261 A CA 1.468 53.533 52.037 0.046 0.000 0.646 261 A CB -0.166 18.851 19.000 0.028 0.000 0.806 261 A HN 0.141 nan 8.150 nan 0.000 0.448 262 D N -1.829 118.642 120.400 0.119 0.000 2.336 262 D HA 0.303 4.944 4.640 0.001 0.000 0.229 262 D C 1.227 177.594 176.300 0.112 0.000 1.061 262 D CA 1.157 55.245 54.000 0.146 0.000 0.875 262 D CB -0.010 40.948 40.800 0.262 0.000 0.904 262 D HN 0.505 nan 8.370 nan 0.000 0.525 263 G N -0.549 108.306 108.800 0.091 0.000 2.175 263 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 263 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 263 G C -0.131 174.751 174.900 -0.030 0.000 0.982 263 G CA -0.327 44.770 45.100 -0.006 0.000 0.641 263 G HN 0.160 nan 8.290 nan 0.000 0.527 264 W N 0.838 122.118 121.300 -0.034 0.000 2.238 264 W HA 0.791 5.451 4.660 0.001 0.000 0.321 264 W C 1.017 177.526 176.519 -0.016 0.000 1.293 264 W CA -0.153 57.172 57.345 -0.033 0.000 1.204 264 W CB 0.595 30.018 29.460 -0.061 0.000 1.167 264 W HN 0.192 nan 8.180 nan 0.000 0.553 265 R N 2.703 123.330 120.500 0.212 0.000 2.692 265 R HA 0.331 4.672 4.340 0.001 0.000 0.269 265 R C -2.641 173.750 176.300 0.152 0.000 1.030 265 R CA -1.992 54.193 56.100 0.142 0.000 0.882 265 R CB 1.866 32.203 30.300 0.061 0.000 1.250 265 R HN 0.079 nan 8.270 nan 0.000 0.465 266 P HA 0.286 nan 4.420 nan 0.000 0.272 266 P C -0.635 176.736 177.300 0.119 0.000 1.240 266 P CA -0.233 62.954 63.100 0.145 0.000 0.791 266 P CB 0.885 32.672 31.700 0.144 0.000 0.978 267 G N -1.371 107.506 108.800 0.128 0.000 2.655 267 G HA2 0.588 4.548 3.960 0.001 0.000 0.296 267 G HA3 0.588 4.548 3.960 0.001 0.000 0.296 267 G C -0.816 174.161 174.900 0.127 0.000 1.485 267 G CA 0.076 45.243 45.100 0.113 0.000 0.869 267 G HN 0.810 nan 8.290 nan 0.000 0.540 268 G N -0.304 108.581 108.800 0.142 0.000 2.291 268 G HA2 0.158 4.119 3.960 0.001 0.000 0.249 268 G HA3 0.158 4.119 3.960 0.001 0.000 0.249 268 G C 0.172 175.221 174.900 0.248 0.000 1.340 268 G CA 0.336 45.539 45.100 0.172 0.000 1.017 268 G HN 1.039 nan 8.290 nan 0.000 0.470 269 W N 0.124 121.386 121.300 -0.063 0.000 4.006 269 W HA 0.315 4.975 4.660 0.001 0.000 0.212 269 W C 0.583 176.835 176.519 -0.445 0.000 2.028 269 W CA 0.496 57.694 57.345 -0.246 0.000 2.379 269 W CB 0.252 29.595 29.460 -0.196 0.000 1.552 269 W HN 0.471 nan 8.180 nan 0.000 0.548 270 Q N 2.451 122.168 119.800 -0.138 0.000 2.534 270 Q HA 0.002 4.343 4.340 0.001 0.000 0.223 270 Q C 0.837 176.875 176.000 0.063 0.000 1.239 270 Q CA 0.177 55.929 55.803 -0.085 0.000 0.936 270 Q CB 0.905 29.696 28.738 0.087 0.000 1.457 270 Q HN 0.369 nan 8.270 nan 0.000 0.547 271 Q N 0.275 120.116 119.800 0.069 0.000 2.311 271 Q HA 0.022 4.363 4.340 0.001 0.000 0.203 271 Q C 0.382 176.474 176.000 0.153 0.000 0.954 271 Q CA 0.512 56.390 55.803 0.125 0.000 0.885 271 Q CB 0.711 29.529 28.738 0.134 0.000 0.963 271 Q HN 0.351 nan 8.270 nan 0.000 0.471 272 V N -0.724 119.285 119.914 0.158 0.000 2.876 272 V HA 0.817 4.938 4.120 0.001 0.000 0.312 272 V C -1.846 174.376 176.094 0.212 0.000 1.085 272 V CA -0.734 61.677 62.300 0.185 0.000 0.945 272 V CB 1.984 33.902 31.823 0.158 0.000 1.017 272 V HN 0.036 nan 8.190 nan 0.000 0.428 273 A N 4.608 127.590 122.820 0.270 0.000 2.454 273 A HA 0.871 5.191 4.320 0.001 0.000 0.302 273 A C -2.040 175.789 177.584 0.409 0.000 1.079 273 A CA -0.547 51.659 52.037 0.282 0.000 0.731 273 A CB 1.796 20.904 19.000 0.180 0.000 1.299 273 A HN 1.472 nan 8.150 nan 0.000 0.413 274 Y N 1.891 122.318 120.300 0.211 0.000 2.373 274 Y HA 0.479 5.030 4.550 0.001 0.000 0.336 274 Y C -0.685 175.340 175.900 0.209 0.000 0.979 274 Y CA -0.657 57.572 58.100 0.216 0.000 1.080 274 Y CB 1.316 39.838 38.460 0.104 0.000 1.190 274 Y HN 0.800 nan 8.280 nan 0.000 0.446 275 H N 7.355 126.198 119.070 -0.378 0.000 2.594 275 H HA 0.297 4.853 4.556 0.001 0.000 0.304 275 H C 0.804 175.672 175.328 -0.766 0.000 1.068 275 H CA 0.057 55.889 56.048 -0.359 0.000 1.308 275 H CB 1.174 30.932 29.762 -0.007 0.000 1.409 275 H HN 1.039 nan 8.280 nan 0.000 0.460 276 R N 3.634 123.646 120.500 -0.813 0.000 2.075 276 R HA -0.111 4.229 4.340 0.001 0.000 0.230 276 R C 1.920 178.115 176.300 -0.176 0.000 1.140 276 R CA 1.600 57.413 56.100 -0.478 0.000 0.928 276 R CB -0.292 29.875 30.300 -0.222 0.000 0.834 276 R HN 0.643 nan 8.270 nan 0.000 0.429 277 A N 0.848 123.597 122.820 -0.119 0.000 1.978 277 A HA -0.111 4.210 4.320 0.001 0.000 0.220 277 A C 2.088 179.757 177.584 0.142 0.000 1.170 277 A CA 1.303 53.377 52.037 0.063 0.000 0.636 277 A CB -0.361 18.704 19.000 0.108 0.000 0.810 277 A HN 0.409 nan 8.150 nan 0.000 0.448 278 L N -1.840 119.563 121.223 0.299 0.000 2.554 278 L HA 0.082 4.422 4.340 0.001 0.000 0.225 278 L C 0.412 177.319 176.870 0.061 0.000 1.104 278 L CA 0.407 55.317 54.840 0.116 0.000 0.866 278 L CB -0.140 41.891 42.059 -0.047 0.000 1.047 278 L HN 0.369 nan 8.230 nan 0.000 0.468 279 D N 1.609 122.028 120.400 0.032 0.000 2.705 279 D HA -0.193 4.448 4.640 0.001 0.000 0.240 279 D C 0.087 176.437 176.300 0.082 0.000 1.137 279 D CA 0.676 54.711 54.000 0.059 0.000 0.677 279 D CB -0.304 40.561 40.800 0.109 0.000 1.049 279 D HN 0.269 nan 8.370 nan 0.000 0.427 280 R N 0.081 120.590 120.500 0.015 0.000 2.750 280 R HA 0.726 5.066 4.340 0.001 0.000 0.281 280 R C -0.105 176.255 176.300 0.099 0.000 0.972 280 R CA -0.972 55.125 56.100 -0.005 0.000 0.912 280 R CB 1.510 31.736 30.300 -0.124 0.000 1.187 280 R HN 0.113 nan 8.270 nan 0.000 0.464 281 I N 2.480 123.056 120.570 0.010 0.000 2.441 281 I HA 0.352 4.522 4.170 0.001 0.000 0.295 281 I C -1.075 174.975 176.117 -0.112 0.000 0.994 281 I CA -0.808 60.570 61.300 0.130 0.000 1.144 281 I CB 1.250 39.320 38.000 0.116 0.000 1.314 281 I HN 0.415 nan 8.210 nan 0.000 0.445 282 Y N 6.055 126.417 120.300 0.103 0.000 2.350 282 Y HA 0.616 5.166 4.550 0.001 0.000 0.338 282 Y C -0.598 175.353 175.900 0.086 0.000 0.961 282 Y CA -0.864 57.278 58.100 0.070 0.000 1.100 282 Y CB 1.804 40.322 38.460 0.098 0.000 1.179 282 Y HN 0.331 nan 8.280 nan 0.000 0.454 283 L N 4.037 125.364 121.223 0.173 0.000 2.385 283 L HA 0.591 4.931 4.340 0.001 0.000 0.273 283 L C -1.415 175.555 176.870 0.166 0.000 0.990 283 L CA -0.621 54.313 54.840 0.156 0.000 0.821 283 L CB 1.507 43.629 42.059 0.104 0.000 1.279 283 L HN 0.638 nan 8.230 nan 0.000 0.412 284 L N 5.715 127.043 121.223 0.176 0.000 2.331 284 L HA 0.621 4.962 4.340 0.001 0.000 0.278 284 L C -0.392 176.601 176.870 0.207 0.000 1.106 284 L CA -0.333 54.620 54.840 0.188 0.000 0.824 284 L CB 1.171 43.330 42.059 0.167 0.000 1.142 284 L HN 0.617 nan 8.230 nan 0.000 0.443 285 V N -0.158 119.923 119.914 0.278 0.000 3.181 285 V HA 0.776 4.897 4.120 0.001 0.000 0.308 285 V C -1.154 175.198 176.094 0.430 0.000 1.214 285 V CA -0.720 61.776 62.300 0.326 0.000 1.053 285 V CB 2.388 34.427 31.823 0.360 0.000 1.069 285 V HN 0.724 nan 8.190 nan 0.000 0.441 286 D N -0.664 119.923 120.400 0.311 0.000 2.764 286 D HA 0.250 4.890 4.640 0.001 0.000 0.293 286 D C -1.537 174.541 176.300 -0.370 0.000 1.287 286 D CA -0.469 53.550 54.000 0.032 0.000 0.768 286 D CB 2.211 43.075 40.800 0.108 0.000 1.288 286 D HN 0.798 nan 8.370 nan 0.000 0.426 287 Q N 0.969 120.318 119.800 -0.751 0.000 2.279 287 Q HA 0.548 4.889 4.340 0.001 0.000 0.256 287 Q C -0.238 175.592 176.000 -0.282 0.000 0.937 287 Q CA -0.125 55.277 55.803 -0.667 0.000 0.933 287 Q CB 1.582 29.857 28.738 -0.771 0.000 1.189 287 Q HN 0.294 nan 8.270 nan 0.000 0.417 288 R N 0.132 120.532 120.500 -0.168 0.000 2.716 288 R HA 0.383 4.723 4.340 0.001 0.000 0.271 288 R C -1.523 174.744 176.300 -0.055 0.000 1.028 288 R CA -1.061 54.989 56.100 -0.084 0.000 0.883 288 R CB 0.703 30.977 30.300 -0.043 0.000 1.250 288 R HN 0.485 nan 8.270 nan 0.000 0.465 289 D N 0.087 120.472 120.400 -0.024 0.000 2.368 289 D HA -0.055 4.586 4.640 0.001 0.000 0.240 289 D C 0.991 177.268 176.300 -0.038 0.000 1.169 289 D CA -0.068 53.926 54.000 -0.010 0.000 0.906 289 D CB 1.116 41.942 40.800 0.043 0.000 1.187 289 D HN 0.665 nan 8.370 nan 0.000 0.435 290 E N 1.124 121.256 120.200 -0.113 0.000 2.204 290 E HA -0.174 4.176 4.350 0.001 0.000 0.195 290 E C 0.530 176.894 176.600 -0.394 0.000 0.990 290 E CA 0.791 57.005 56.400 -0.309 0.000 0.821 290 E CB -0.204 29.220 29.700 -0.460 0.000 0.750 290 E HN 0.644 nan 8.360 nan 0.000 0.477 291 W N 0.651 122.023 121.300 0.120 0.000 3.015 291 W HA 0.308 4.969 4.660 0.001 0.000 0.429 291 W C 0.414 176.994 176.519 0.101 0.000 0.976 291 W CA -0.982 56.472 57.345 0.181 0.000 2.086 291 W CB 0.847 30.390 29.460 0.139 0.000 1.125 291 W HN -0.178 nan 8.180 nan 0.000 0.721 292 R N 0.769 121.379 120.500 0.184 0.000 2.791 292 R HA 0.075 4.415 4.340 0.001 0.000 0.357 292 R C 1.506 177.802 176.300 -0.007 0.000 1.173 292 R CA -0.056 56.075 56.100 0.052 0.000 1.060 292 R CB -1.094 29.231 30.300 0.040 0.000 1.406 292 R HN 0.501 nan 8.270 nan 0.000 0.580 293 H N -0.625 118.423 119.070 -0.037 0.000 2.518 293 H HA 0.043 4.599 4.556 0.001 0.000 0.289 293 H C 0.224 175.548 175.328 -0.007 0.000 1.051 293 H CA 0.698 56.672 56.048 -0.122 0.000 1.280 293 H CB 0.293 29.789 29.762 -0.443 0.000 1.380 293 H HN 0.066 nan 8.280 nan 0.000 0.566 294 K N 1.545 121.849 120.400 -0.161 0.000 2.372 294 K HA 0.083 4.403 4.320 0.001 0.000 0.200 294 K C 0.383 177.019 176.600 0.060 0.000 1.022 294 K CA 0.231 56.535 56.287 0.029 0.000 1.125 294 K CB 0.774 33.313 32.500 0.066 0.000 0.855 294 K HN 0.349 nan 8.250 nan 0.000 0.524 295 T N -1.053 113.518 114.554 0.029 0.000 2.882 295 T HA 0.508 4.858 4.350 0.001 0.000 0.287 295 T C 0.550 175.285 174.700 0.057 0.000 1.014 295 T CA -1.013 61.108 62.100 0.035 0.000 1.049 295 T CB 1.559 70.438 68.868 0.019 0.000 1.001 295 T HN 0.091 nan 8.240 nan 0.000 0.525 296 A N 1.775 124.625 122.820 0.051 0.000 2.448 296 A HA 0.542 4.862 4.320 0.001 0.000 0.239 296 A C 0.518 178.138 177.584 0.060 0.000 1.080 296 A CA -0.533 51.541 52.037 0.061 0.000 0.779 296 A CB -0.194 18.836 19.000 0.050 0.000 1.026 296 A HN 0.850 nan 8.150 nan 0.000 0.499 297 S N -0.689 115.055 115.700 0.074 0.000 2.568 297 S HA 0.547 5.017 4.470 0.001 0.000 0.293 297 S C 0.465 175.087 174.600 0.036 0.000 1.089 297 S CA -0.706 57.548 58.200 0.090 0.000 0.945 297 S CB 1.797 65.087 63.200 0.150 0.000 1.077 297 S HN 0.637 nan 8.310 nan 0.000 0.485 298 R N 0.024 120.507 120.500 -0.030 0.000 2.437 298 R HA 0.341 4.682 4.340 0.001 0.000 0.257 298 R C -0.964 174.993 176.300 -0.571 0.000 0.927 298 R CA 0.282 56.182 56.100 -0.334 0.000 1.078 298 R CB 0.299 30.271 30.300 -0.546 0.000 1.161 298 R HN 0.428 nan 8.270 nan 0.000 0.529 299 F N -0.965 119.074 119.950 0.148 0.000 2.603 299 F HA 0.527 5.055 4.527 0.001 0.000 0.317 299 F C -0.273 175.621 175.800 0.157 0.000 1.066 299 F CA -1.314 56.796 58.000 0.182 0.000 0.941 299 F CB 1.798 40.978 39.000 0.300 0.000 1.291 299 F HN -0.443 nan 8.300 nan 0.000 0.472 300 V N 2.323 122.430 119.914 0.321 0.000 2.623 300 V HA 0.543 4.663 4.120 0.001 0.000 0.304 300 V C -0.976 175.132 176.094 0.022 0.000 1.054 300 V CA -0.911 61.509 62.300 0.199 0.000 0.882 300 V CB 2.096 34.071 31.823 0.253 0.000 1.002 300 V HN 0.639 nan 8.190 nan 0.000 0.424 301 V N 3.874 123.774 119.914 -0.023 0.000 2.532 301 V HA 0.844 4.964 4.120 0.001 0.000 0.295 301 V C -0.417 175.532 176.094 -0.242 0.000 1.041 301 V CA -0.540 61.659 62.300 -0.169 0.000 0.926 301 V CB 1.631 33.370 31.823 -0.141 0.000 0.992 301 V HN 0.486 nan 8.190 nan 0.000 0.457 302 V N 6.093 125.774 119.914 -0.388 0.000 2.555 302 V HA 0.704 4.824 4.120 0.001 0.000 0.302 302 V C -0.101 175.785 176.094 -0.347 0.000 1.038 302 V CA -0.435 61.570 62.300 -0.490 0.000 0.887 302 V CB 1.251 32.692 31.823 -0.636 0.000 0.991 302 V HN 1.058 nan 8.190 nan 0.000 0.434 303 L N 0.423 121.467 121.223 -0.299 0.000 2.424 303 L HA 0.740 5.080 4.340 0.001 0.000 0.258 303 L C -0.563 176.223 176.870 -0.140 0.000 0.995 303 L CA -0.737 53.992 54.840 -0.185 0.000 0.821 303 L CB 2.149 44.133 42.059 -0.126 0.000 1.383 303 L HN 0.510 nan 8.230 nan 0.000 0.410 304 D N 1.204 121.547 120.400 -0.096 0.000 2.348 304 D HA 0.256 4.897 4.640 0.001 0.000 0.253 304 D C 0.864 177.156 176.300 -0.013 0.000 1.161 304 D CA 0.436 54.405 54.000 -0.052 0.000 0.876 304 D CB 2.271 43.044 40.800 -0.045 0.000 1.160 304 D HN 0.815 nan 8.370 nan 0.000 0.459 305 A N 4.825 127.668 122.820 0.038 0.000 2.015 305 A HA -0.157 4.164 4.320 0.001 0.000 0.219 305 A C 1.954 179.554 177.584 0.027 0.000 1.163 305 A CA 1.135 53.210 52.037 0.063 0.000 0.646 305 A CB -0.016 19.088 19.000 0.173 0.000 0.806 305 A HN 0.638 nan 8.150 nan 0.000 0.448 306 K N -0.773 119.639 120.400 0.021 0.000 2.076 306 K HA -0.053 4.268 4.320 0.001 0.000 0.204 306 K C 1.972 178.568 176.600 -0.007 0.000 1.051 306 K CA 1.697 57.989 56.287 0.008 0.000 0.949 306 K CB -0.128 32.377 32.500 0.008 0.000 0.726 306 K HN 0.648 nan 8.250 nan 0.000 0.443 307 T N -4.045 110.500 114.554 -0.014 0.000 2.990 307 T HA 0.233 4.583 4.350 0.001 0.000 0.249 307 T C 1.441 176.122 174.700 -0.031 0.000 1.039 307 T CA 0.385 62.471 62.100 -0.023 0.000 1.036 307 T CB 0.800 69.653 68.868 -0.025 0.000 0.994 307 T HN 0.292 nan 8.240 nan 0.000 0.489 308 G N 1.395 110.174 108.800 -0.035 0.000 2.157 308 G HA2 -0.249 3.712 3.960 0.001 0.000 0.248 308 G HA3 -0.249 3.712 3.960 0.001 0.000 0.248 308 G C -0.195 174.669 174.900 -0.060 0.000 0.979 308 G CA 0.204 45.276 45.100 -0.046 0.000 0.650 308 G HN 0.832 nan 8.290 nan 0.000 0.529 309 E N 0.329 120.493 120.200 -0.060 0.000 2.338 309 E HA 0.416 4.767 4.350 0.001 0.000 0.272 309 E C 0.810 177.354 176.600 -0.093 0.000 1.029 309 E CA -0.807 55.551 56.400 -0.070 0.000 0.872 309 E CB 0.377 30.042 29.700 -0.059 0.000 1.015 309 E HN 0.382 nan 8.360 nan 0.000 0.417 310 R N 4.429 124.865 120.500 -0.106 0.000 2.347 310 R HA 0.078 4.418 4.340 0.001 0.000 0.304 310 R C 0.532 176.750 176.300 -0.137 0.000 1.072 310 R CA 0.001 56.019 56.100 -0.137 0.000 0.980 310 R CB 0.404 30.616 30.300 -0.148 0.000 0.986 310 R HN 0.685 nan 8.270 nan 0.000 0.448 311 L N 3.248 124.369 121.223 -0.170 0.000 2.357 311 L HA 0.375 4.716 4.340 0.001 0.000 0.211 311 L C 0.540 177.309 176.870 -0.167 0.000 1.075 311 L CA 0.448 55.196 54.840 -0.153 0.000 0.830 311 L CB 0.271 42.232 42.059 -0.163 0.000 0.996 311 L HN 0.775 nan 8.230 nan 0.000 0.467 312 A N -0.193 122.472 122.820 -0.258 0.000 2.566 312 A HA 0.556 4.877 4.320 0.001 0.000 0.290 312 A C -1.505 175.838 177.584 -0.401 0.000 1.071 312 A CA -0.581 51.273 52.037 -0.305 0.000 0.658 312 A CB 1.392 20.153 19.000 -0.399 0.000 1.285 312 A HN -0.068 nan 8.150 nan 0.000 0.427 313 K N 1.159 121.373 120.400 -0.311 0.000 2.613 313 K HA 0.611 4.932 4.320 0.001 0.000 0.248 313 K C -1.944 174.649 176.600 -0.012 0.000 0.959 313 K CA -0.372 55.786 56.287 -0.215 0.000 0.855 313 K CB 0.646 33.054 32.500 -0.154 0.000 1.143 313 K HN 0.447 nan 8.250 nan 0.000 0.437 314 F N 1.896 121.916 119.950 0.116 0.000 2.422 314 F HA 0.345 4.872 4.527 0.001 0.000 0.333 314 F C 0.489 176.396 175.800 0.178 0.000 1.095 314 F CA -0.861 57.208 58.000 0.115 0.000 1.038 314 F CB 1.330 40.363 39.000 0.056 0.000 1.156 314 F HN 0.371 nan 8.300 nan 0.000 0.483 315 E N 3.376 123.777 120.200 0.336 0.000 2.081 315 E HA 0.168 4.518 4.350 0.001 0.000 0.281 315 E C 0.491 177.073 176.600 -0.030 0.000 0.986 315 E CA -0.316 56.155 56.400 0.119 0.000 0.796 315 E CB 1.006 30.779 29.700 0.121 0.000 1.085 315 E HN 0.518 nan 8.360 nan 0.000 0.398 316 M N 1.010 120.516 119.600 -0.157 0.000 2.254 316 M HA 0.022 4.503 4.480 0.001 0.000 0.265 316 M C 1.535 177.722 176.300 -0.188 0.000 1.066 316 M CA 1.071 56.283 55.300 -0.147 0.000 1.123 316 M CB -0.841 31.669 32.600 -0.150 0.000 1.388 316 M HN 0.869 nan 8.290 nan 0.000 0.425 317 G N 0.554 109.164 108.800 -0.316 0.000 2.159 317 G HA2 -0.247 3.713 3.960 0.001 0.000 0.256 317 G HA3 -0.247 3.713 3.960 0.001 0.000 0.256 317 G C -0.042 174.390 174.900 -0.781 0.000 0.977 317 G CA 0.707 45.527 45.100 -0.467 0.000 0.652 317 G HN 0.580 nan 8.290 nan 0.000 0.531 318 H N -1.163 117.754 119.070 -0.256 0.000 3.017 318 H HA 0.503 5.059 4.556 0.001 0.000 0.346 318 H C -0.995 174.242 175.328 -0.153 0.000 1.286 318 H CA -1.017 54.885 56.048 -0.245 0.000 1.120 318 H CB 0.927 30.395 29.762 -0.490 0.000 1.860 318 H HN 0.061 nan 8.280 nan 0.000 0.542 319 E N 2.036 122.279 120.200 0.072 0.000 2.052 319 E HA 0.150 4.501 4.350 0.001 0.000 0.283 319 E C -0.308 176.341 176.600 0.082 0.000 1.071 319 E CA -0.156 56.271 56.400 0.045 0.000 0.851 319 E CB 0.779 30.507 29.700 0.047 0.000 1.066 319 E HN 0.244 nan 8.360 nan 0.000 0.396 320 I N 2.707 123.320 120.570 0.071 0.000 2.412 320 I HA 0.131 4.301 4.170 0.001 0.000 0.296 320 I C 1.110 177.287 176.117 0.100 0.000 0.987 320 I CA -0.311 61.050 61.300 0.102 0.000 1.180 320 I CB 1.361 39.418 38.000 0.096 0.000 1.340 320 I HN 0.389 nan 8.210 nan 0.000 0.455 321 D N 2.731 123.193 120.400 0.103 0.000 2.379 321 D HA 0.079 4.720 4.640 0.001 0.000 0.218 321 D C 0.060 176.450 176.300 0.149 0.000 1.006 321 D CA 0.729 54.797 54.000 0.113 0.000 0.893 321 D CB 1.011 41.853 40.800 0.071 0.000 1.019 321 D HN 0.383 nan 8.370 nan 0.000 0.503 322 S N 0.231 116.015 115.700 0.139 0.000 2.549 322 S HA 0.605 5.075 4.470 0.001 0.000 0.280 322 S C -0.269 174.420 174.600 0.149 0.000 1.109 322 S CA -0.772 57.519 58.200 0.153 0.000 0.905 322 S CB 2.446 65.746 63.200 0.167 0.000 1.081 322 S HN 0.158 nan 8.310 nan 0.000 0.477 323 I N 0.202 120.863 120.570 0.153 0.000 2.934 323 I HA 0.807 4.978 4.170 0.001 0.000 0.306 323 I C -0.822 175.393 176.117 0.163 0.000 1.110 323 I CA -0.663 60.730 61.300 0.156 0.000 1.019 323 I CB 2.318 40.403 38.000 0.141 0.000 1.227 323 I HN 0.495 nan 8.210 nan 0.000 0.434 324 N N 1.637 120.442 118.700 0.176 0.000 3.020 324 N HA 0.744 5.485 4.740 0.001 0.000 0.248 324 N C -1.722 173.880 175.510 0.153 0.000 1.480 324 N CA -0.310 52.850 53.050 0.184 0.000 0.874 324 N CB 2.643 41.257 38.487 0.212 0.000 1.433 324 N HN 0.781 nan 8.380 nan 0.000 0.530 325 V N -1.327 118.662 119.914 0.125 0.000 3.007 325 V HA 0.775 4.895 4.120 0.001 0.000 0.311 325 V C 0.161 176.348 176.094 0.155 0.000 1.120 325 V CA -0.907 61.400 62.300 0.012 0.000 0.980 325 V CB 1.072 32.797 31.823 -0.163 0.000 1.033 325 V HN 0.760 nan 8.190 nan 0.000 0.429 326 S N 1.819 117.587 115.700 0.114 0.000 2.592 326 S HA 0.337 4.808 4.470 0.001 0.000 0.271 326 S C 0.290 174.962 174.600 0.120 0.000 1.326 326 S CA -0.504 57.805 58.200 0.180 0.000 1.024 326 S CB 1.169 64.467 63.200 0.163 0.000 0.921 326 S HN 0.812 nan 8.310 nan 0.000 0.527 327 Q N 1.018 120.843 119.800 0.041 0.000 2.246 327 Q HA 0.118 4.458 4.340 0.001 0.000 0.202 327 Q C -0.116 175.872 176.000 -0.019 0.000 0.883 327 Q CA -0.035 55.685 55.803 -0.137 0.000 0.952 327 Q CB -0.188 28.454 28.738 -0.160 0.000 1.078 327 Q HN 0.868 nan 8.270 nan 0.000 0.493 328 D N -0.376 120.096 120.400 0.120 0.000 2.411 328 D HA 0.004 4.644 4.640 0.001 0.000 0.251 328 D C 0.578 177.000 176.300 0.204 0.000 1.201 328 D CA -0.366 53.706 54.000 0.120 0.000 0.996 328 D CB 0.861 41.708 40.800 0.078 0.000 1.101 328 D HN -0.122 nan 8.370 nan 0.000 0.504 329 E N -0.909 119.362 120.200 0.118 0.000 2.338 329 E HA -0.089 4.261 4.350 0.001 0.000 0.197 329 E C 0.035 176.649 176.600 0.025 0.000 1.007 329 E CA 0.838 57.291 56.400 0.089 0.000 0.849 329 E CB 0.067 29.803 29.700 0.060 0.000 0.774 329 E HN 0.325 nan 8.360 nan 0.000 0.506 330 K N 1.286 121.697 120.400 0.019 0.000 2.753 330 K HA 0.223 4.543 4.320 0.001 0.000 0.185 330 K C -2.647 173.938 176.600 -0.024 0.000 1.071 330 K CA -1.496 54.779 56.287 -0.019 0.000 0.999 330 K CB 1.503 33.996 32.500 -0.011 0.000 1.244 330 K HN -0.051 nan 8.250 nan 0.000 0.594 331 P HA 0.105 nan 4.420 nan 0.000 0.272 331 P C -0.372 176.861 177.300 -0.113 0.000 1.240 331 P CA -0.300 62.777 63.100 -0.038 0.000 0.791 331 P CB 0.951 32.629 31.700 -0.037 0.000 0.978 332 L N 0.928 122.031 121.223 -0.200 0.000 2.343 332 L HA 0.399 4.740 4.340 0.001 0.000 0.275 332 L C 0.299 176.858 176.870 -0.519 0.000 1.056 332 L CA -1.173 53.446 54.840 -0.369 0.000 0.804 332 L CB 1.085 42.804 42.059 -0.567 0.000 1.203 332 L HN 0.239 nan 8.230 nan 0.000 0.440 333 L N 3.019 124.002 121.223 -0.401 0.000 2.265 333 L HA 0.398 4.739 4.340 0.001 0.000 0.289 333 L C -1.004 175.704 176.870 -0.270 0.000 1.033 333 L CA 0.005 54.654 54.840 -0.320 0.000 0.814 333 L CB 0.436 42.416 42.059 -0.131 0.000 1.203 333 L HN 0.202 nan 8.230 nan 0.000 0.423 334 Y N 4.172 124.490 120.300 0.031 0.000 2.313 334 Y HA 0.658 5.209 4.550 0.001 0.000 0.332 334 Y C 0.485 176.440 175.900 0.092 0.000 1.071 334 Y CA -0.481 57.662 58.100 0.072 0.000 1.169 334 Y CB 1.417 39.903 38.460 0.043 0.000 1.192 334 Y HN 0.724 nan 8.280 nan 0.000 0.487 335 A N 4.581 127.584 122.820 0.306 0.000 2.340 335 A HA 0.627 4.948 4.320 0.001 0.000 0.297 335 A C -1.720 176.019 177.584 0.258 0.000 1.195 335 A CA -0.621 51.561 52.037 0.242 0.000 0.769 335 A CB 0.570 19.693 19.000 0.205 0.000 1.163 335 A HN 0.679 nan 8.150 nan 0.000 0.472 336 L N 2.736 124.061 121.223 0.170 0.000 2.307 336 L HA 0.730 5.071 4.340 0.001 0.000 0.284 336 L C 0.178 177.107 176.870 0.098 0.000 1.023 336 L CA 0.112 55.008 54.840 0.092 0.000 0.810 336 L CB 1.915 43.999 42.059 0.042 0.000 1.231 336 L HN 0.533 nan 8.230 nan 0.000 0.423 337 S N 2.425 118.170 115.700 0.075 0.000 2.438 337 S HA 0.325 4.796 4.470 0.001 0.000 0.316 337 S C 0.904 175.500 174.600 -0.007 0.000 1.084 337 S CA -0.281 57.968 58.200 0.081 0.000 1.107 337 S CB 0.900 64.211 63.200 0.184 0.000 0.981 337 S HN 0.848 nan 8.310 nan 0.000 0.466 338 T N 4.514 119.056 114.554 -0.020 0.000 2.746 338 T HA -0.018 4.333 4.350 0.001 0.000 0.267 338 T C 1.992 176.679 174.700 -0.023 0.000 1.039 338 T CA 1.591 63.654 62.100 -0.062 0.000 1.142 338 T CB -0.629 68.185 68.868 -0.089 0.000 0.866 338 T HN 0.774 nan 8.240 nan 0.000 0.444 339 G N 1.480 110.286 108.800 0.010 0.000 2.402 339 G HA2 -0.165 3.795 3.960 0.001 0.000 0.216 339 G HA3 -0.165 3.795 3.960 0.001 0.000 0.216 339 G C 1.166 176.073 174.900 0.011 0.000 1.162 339 G CA 0.703 45.818 45.100 0.024 0.000 0.777 339 G HN 0.389 nan 8.290 nan 0.000 0.539 340 D N 0.266 120.671 120.400 0.009 0.000 2.347 340 D HA 0.085 4.726 4.640 0.001 0.000 0.213 340 D C 0.764 177.012 176.300 -0.087 0.000 0.985 340 D CA 0.253 54.246 54.000 -0.013 0.000 0.879 340 D CB 0.083 40.901 40.800 0.029 0.000 0.919 340 D HN 0.108 nan 8.370 nan 0.000 0.526 341 K N -0.388 119.948 120.400 -0.107 0.000 3.071 341 K HA -0.129 4.191 4.320 0.001 0.000 0.265 341 K C -0.687 175.755 176.600 -0.264 0.000 1.060 341 K CA 0.608 56.787 56.287 -0.180 0.000 0.767 341 K CB -2.222 30.168 32.500 -0.183 0.000 1.241 341 K HN 0.081 nan 8.250 nan 0.000 0.486 342 T N 0.031 114.410 114.554 -0.292 0.000 2.893 342 T HA 0.588 4.938 4.350 0.001 0.000 0.293 342 T C -1.044 173.329 174.700 -0.545 0.000 1.027 342 T CA -0.852 60.957 62.100 -0.485 0.000 0.988 342 T CB 1.747 70.215 68.868 -0.665 0.000 1.043 342 T HN 0.158 nan 8.240 nan 0.000 0.461 343 L N 3.662 124.580 121.223 -0.509 0.000 2.265 343 L HA 0.545 4.886 4.340 0.001 0.000 0.289 343 L C -1.550 175.086 176.870 -0.390 0.000 1.033 343 L CA -0.452 54.197 54.840 -0.318 0.000 0.814 343 L CB -0.022 41.921 42.059 -0.192 0.000 1.203 343 L HN 0.574 nan 8.230 nan 0.000 0.423 344 Y N 5.449 125.759 120.300 0.017 0.000 2.320 344 Y HA 0.513 5.063 4.550 0.001 0.000 0.334 344 Y C 0.108 176.096 175.900 0.147 0.000 1.055 344 Y CA -0.400 57.719 58.100 0.032 0.000 1.143 344 Y CB 1.111 39.633 38.460 0.104 0.000 1.193 344 Y HN 0.409 nan 8.280 nan 0.000 0.477 345 I N 4.568 125.233 120.570 0.159 0.000 2.330 345 I HA 0.276 4.446 4.170 0.001 0.000 0.289 345 I C -0.211 175.879 176.117 -0.045 0.000 1.001 345 I CA -0.373 61.000 61.300 0.121 0.000 1.193 345 I CB 0.590 38.641 38.000 0.086 0.000 1.345 345 I HN 0.623 nan 8.210 nan 0.000 0.461 346 H N 4.001 123.022 119.070 -0.081 0.000 2.710 346 H HA 0.241 4.798 4.556 0.001 0.000 0.361 346 H C -0.922 174.299 175.328 -0.179 0.000 1.175 346 H CA -0.789 55.186 56.048 -0.122 0.000 1.206 346 H CB 2.495 32.171 29.762 -0.143 0.000 1.750 346 H HN 0.516 nan 8.280 nan 0.000 0.553 347 D N 0.762 121.127 120.400 -0.058 0.000 2.343 347 D HA 0.088 4.729 4.640 0.001 0.000 0.255 347 D C 0.714 176.951 176.300 -0.106 0.000 1.187 347 D CA -0.078 53.866 54.000 -0.093 0.000 0.875 347 D CB 1.247 41.992 40.800 -0.092 0.000 1.136 347 D HN 0.644 nan 8.370 nan 0.000 0.469 348 A N 3.980 126.762 122.820 -0.063 0.000 2.121 348 A HA -0.151 4.169 4.320 0.001 0.000 0.218 348 A C 1.841 179.559 177.584 0.223 0.000 1.154 348 A CA 1.279 53.350 52.037 0.057 0.000 0.679 348 A CB -0.162 18.834 19.000 -0.007 0.000 0.795 348 A HN 0.775 nan 8.150 nan 0.000 0.458 349 E N -0.040 120.214 120.200 0.091 0.000 2.075 349 E HA -0.095 4.256 4.350 0.001 0.000 0.190 349 E C 2.061 178.757 176.600 0.160 0.000 0.969 349 E CA 1.166 57.656 56.400 0.150 0.000 0.815 349 E CB -0.018 29.718 29.700 0.061 0.000 0.776 349 E HN 0.619 nan 8.360 nan 0.000 0.457 350 S N -1.320 114.364 115.700 -0.028 0.000 2.486 350 S HA 0.225 4.696 4.470 0.001 0.000 0.220 350 S C 1.693 176.037 174.600 -0.426 0.000 1.011 350 S CA 0.550 58.704 58.200 -0.077 0.000 0.921 350 S CB 0.563 63.725 63.200 -0.064 0.000 0.785 350 S HN 0.545 nan 8.310 nan 0.000 0.517 351 G N 1.452 109.721 108.800 -0.885 0.000 2.176 351 G HA2 -0.307 3.653 3.960 0.001 0.000 0.253 351 G HA3 -0.307 3.653 3.960 0.001 0.000 0.253 351 G C -0.137 174.529 174.900 -0.390 0.000 0.979 351 G CA 0.328 44.549 45.100 -1.466 0.000 0.641 351 G HN 0.857 nan 8.290 nan 0.000 0.530 352 E N 1.019 121.085 120.200 -0.222 0.000 2.373 352 E HA 0.345 4.695 4.350 0.001 0.000 0.267 352 E C 0.066 176.597 176.600 -0.115 0.000 1.032 352 E CA -0.366 55.980 56.400 -0.090 0.000 0.889 352 E CB 0.423 30.068 29.700 -0.092 0.000 0.984 352 E HN 0.407 nan 8.360 nan 0.000 0.425 353 E N 4.097 124.162 120.200 -0.225 0.000 2.257 353 E HA 0.041 4.392 4.350 0.001 0.000 0.278 353 E C 0.377 176.817 176.600 -0.265 0.000 1.049 353 E CA -0.114 55.964 56.400 -0.536 0.000 0.876 353 E CB 0.655 30.109 29.700 -0.411 0.000 1.035 353 E HN 0.627 nan 8.360 nan 0.000 0.419 354 L N 4.745 125.824 121.223 -0.240 0.000 2.269 354 L HA 0.240 4.581 4.340 0.001 0.000 0.200 354 L C 1.051 177.868 176.870 -0.087 0.000 1.069 354 L CA 0.228 54.993 54.840 -0.126 0.000 0.804 354 L CB -0.030 41.971 42.059 -0.097 0.000 0.987 354 L HN 0.529 nan 8.230 nan 0.000 0.468 355 R N -0.470 119.981 120.500 -0.081 0.000 2.733 355 R HA 0.625 4.966 4.340 0.001 0.000 0.272 355 R C -1.381 174.897 176.300 -0.038 0.000 1.029 355 R CA -0.565 55.507 56.100 -0.047 0.000 0.888 355 R CB 1.684 31.960 30.300 -0.040 0.000 1.251 355 R HN -0.014 nan 8.270 nan 0.000 0.464 356 S N -0.345 115.316 115.700 -0.064 0.000 2.618 356 S HA 0.716 5.187 4.470 0.001 0.000 0.277 356 S C -1.066 173.421 174.600 -0.188 0.000 1.138 356 S CA -0.765 57.340 58.200 -0.158 0.000 0.844 356 S CB 2.216 65.287 63.200 -0.214 0.000 1.127 356 S HN 0.409 nan 8.310 nan 0.000 0.474 357 V N 3.168 122.920 119.914 -0.271 0.000 2.488 357 V HA 0.504 4.624 4.120 0.001 0.000 0.293 357 V C -0.642 175.261 176.094 -0.318 0.000 1.027 357 V CA -0.749 61.407 62.300 -0.241 0.000 0.862 357 V CB 1.129 32.822 31.823 -0.216 0.000 1.008 357 V HN 1.050 nan 8.190 nan 0.000 0.428 358 N N 3.076 121.612 118.700 -0.274 0.000 2.604 358 N HA 0.355 5.096 4.740 0.001 0.000 0.297 358 N C 0.049 175.391 175.510 -0.280 0.000 1.266 358 N CA -0.792 52.089 53.050 -0.282 0.000 0.961 358 N CB 0.444 38.804 38.487 -0.211 0.000 1.166 358 N HN 0.588 nan 8.380 nan 0.000 0.601 359 Q N -1.183 118.464 119.800 -0.254 0.000 2.468 359 Q HA -0.135 4.206 4.340 0.001 0.000 0.289 359 Q C -0.751 175.014 176.000 -0.392 0.000 1.299 359 Q CA 0.329 55.983 55.803 -0.247 0.000 0.838 359 Q CB -1.904 26.735 28.738 -0.165 0.000 1.195 359 Q HN 0.499 nan 8.270 nan 0.000 0.456 360 L N 0.620 121.531 121.223 -0.520 0.000 2.648 360 L HA 0.338 4.678 4.340 0.001 0.000 0.238 360 L C 1.317 177.815 176.870 -0.620 0.000 1.316 360 L CA 0.448 54.720 54.840 -0.948 0.000 1.241 360 L CB -0.638 40.900 42.059 -0.868 0.000 1.499 360 L HN 0.582 nan 8.230 nan 0.000 0.411 361 G N 0.099 108.721 108.800 -0.298 0.000 2.542 361 G HA2 -0.272 3.689 3.960 0.001 0.000 0.235 361 G HA3 -0.272 3.689 3.960 0.001 0.000 0.235 361 G C 0.437 175.115 174.900 -0.369 0.000 1.286 361 G CA -0.098 44.923 45.100 -0.131 0.000 0.904 361 G HN 0.471 nan 8.290 nan 0.000 0.577 362 H N 0.573 119.634 119.070 -0.015 0.000 2.476 362 H HA 0.322 4.879 4.556 0.001 0.000 0.292 362 H C 1.848 177.085 175.328 -0.153 0.000 1.019 362 H CA 1.367 57.390 56.048 -0.041 0.000 1.330 362 H CB 0.826 30.587 29.762 -0.003 0.000 1.451 362 H HN 1.210 nan 8.280 nan 0.000 0.535 363 G N 2.536 111.198 108.800 -0.230 0.000 4.379 363 G HA2 0.155 4.115 3.960 0.001 0.000 0.243 363 G HA3 0.155 4.115 3.960 0.001 0.000 0.243 363 G C -3.027 171.651 174.900 -0.371 0.000 1.009 363 G CA -0.735 44.056 45.100 -0.515 0.000 0.646 363 G HN -0.058 nan 8.290 nan 0.000 0.475 364 P HA 0.116 nan 4.420 nan 0.000 0.268 364 P C -0.097 177.097 177.300 -0.177 0.000 1.205 364 P CA 0.416 63.424 63.100 -0.154 0.000 0.771 364 P CB 1.840 33.455 31.700 -0.143 0.000 0.858 365 Q N 0.466 120.180 119.800 -0.142 0.000 2.104 365 Q HA 0.177 4.517 4.340 0.001 0.000 0.240 365 Q C -0.291 175.748 176.000 0.064 0.000 0.743 365 Q CA 0.080 55.793 55.803 -0.151 0.000 0.920 365 Q CB 1.011 29.475 28.738 -0.457 0.000 1.198 365 Q HN 0.228 nan 8.270 nan 0.000 0.465 366 V N 2.006 121.979 119.914 0.099 0.000 2.495 366 V HA 0.470 4.590 4.120 0.001 0.000 0.298 366 V C -0.551 175.608 176.094 0.108 0.000 1.031 366 V CA -0.556 61.846 62.300 0.170 0.000 0.871 366 V CB 1.876 33.814 31.823 0.191 0.000 0.988 366 V HN 0.134 nan 8.190 nan 0.000 0.432 367 I N 3.495 124.129 120.570 0.108 0.000 2.404 367 I HA 0.580 4.751 4.170 0.001 0.000 0.293 367 I C -0.058 176.104 176.117 0.075 0.000 0.992 367 I CA -0.110 61.228 61.300 0.064 0.000 1.149 367 I CB 2.216 40.252 38.000 0.060 0.000 1.315 367 I HN 0.540 nan 8.210 nan 0.000 0.446 368 T N 3.127 117.726 114.554 0.075 0.000 2.861 368 T HA 0.625 4.976 4.350 0.001 0.000 0.287 368 T C -0.305 174.470 174.700 0.124 0.000 1.003 368 T CA -0.704 61.439 62.100 0.073 0.000 0.977 368 T CB 1.872 70.737 68.868 -0.006 0.000 0.996 368 T HN 0.741 nan 8.240 nan 0.000 0.448 369 T N -0.760 113.860 114.554 0.109 0.000 2.906 369 T HA 0.846 5.196 4.350 0.001 0.000 0.295 369 T C -0.558 174.199 174.700 0.095 0.000 1.075 369 T CA -1.003 61.176 62.100 0.132 0.000 1.005 369 T CB 1.767 70.723 68.868 0.147 0.000 1.136 369 T HN 0.749 nan 8.240 nan 0.000 0.498 370 A N 1.045 123.922 122.820 0.095 0.000 2.303 370 A HA 0.622 4.943 4.320 0.001 0.000 0.317 370 A C -0.206 177.401 177.584 0.037 0.000 1.149 370 A CA -0.625 51.440 52.037 0.046 0.000 0.822 370 A CB 0.648 19.673 19.000 0.042 0.000 1.131 370 A HN 0.868 nan 8.150 nan 0.000 0.493 371 D N 2.837 123.247 120.400 0.016 0.000 2.499 371 D HA 0.334 4.974 4.640 0.001 0.000 0.225 371 D C 0.592 176.892 176.300 -0.001 0.000 1.124 371 D CA -0.111 53.886 54.000 -0.004 0.000 0.938 371 D CB 0.326 41.114 40.800 -0.019 0.000 1.014 371 D HN 0.484 nan 8.370 nan 0.000 0.517 372 M N 0.985 120.589 119.600 0.008 0.000 2.618 372 M HA 0.186 4.667 4.480 0.001 0.000 0.240 372 M C 1.252 177.558 176.300 0.011 0.000 1.123 372 M CA -0.032 55.276 55.300 0.013 0.000 1.060 372 M CB 0.617 33.230 32.600 0.022 0.000 1.535 372 M HN 0.184 nan 8.290 nan 0.000 0.507 373 G N 0.000 108.802 108.800 0.003 0.000 5.446 373 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 373 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 373 G CA 0.000 45.103 45.100 0.005 0.000 0.502 373 G HN 0.000 nan 8.290 nan 0.000 0.925