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 3oka_1_A DATA FIRST_RESID 4 DATA SEQUENCE SRKTLVVTND FPPRIGGIQS YLRDFIATQD PESIVVFAST QNAEEAHAYD DATA SEQUENCE KTLDYEVIRW PRSVMLPTPT TAHAMAEIIR EREIDNVWFG AAAPLALMAG DATA SEQUENCE TAKQAGASKV IASTHGHEVG WSMLPGSRQS LRKIGTEVDV LTYISQYTLR DATA SEQUENCE RFKSAFGSHP TFEHLPSGVD VKRFTPATPE DKSATRKKLG FTDTTPVIAC DATA SEQUENCE NSRLVPRKGQ DSLIKAMPQV IAARPDAQLL IVGSGRYEST LRRLATDVSQ DATA SEQUENCE NVKFLGRLEY QDMINTLAAA DIFAMPARTR GGGLDVEGLG IVYLEAQACG DATA SEQUENCE VPVIAGTSGG APETVTPATG LVVEGSDVDK LSELLIELLD DPIRRAAMGA DATA SEQUENCE AGRAHVEAEW SWEIMGERLT NILQSEPR 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.589 174.600 -0.019 0.000 1.055 4 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 4 S CB 0.000 63.193 63.200 -0.012 0.000 0.593 5 R N 2.667 123.152 120.500 -0.024 0.000 2.438 5 R HA 0.357 4.697 4.340 -0.000 0.000 0.287 5 R C -0.117 176.168 176.300 -0.025 0.000 1.077 5 R CA -0.431 55.653 56.100 -0.027 0.000 1.034 5 R CB 0.833 31.111 30.300 -0.035 0.000 0.993 5 R HN 0.467 nan 8.270 nan 0.000 0.459 6 K N 1.587 121.972 120.400 -0.024 0.000 2.183 6 K HA 0.208 4.528 4.320 -0.000 0.000 0.274 6 K C -0.941 175.645 176.600 -0.024 0.000 1.009 6 K CA -0.264 56.010 56.287 -0.021 0.000 0.888 6 K CB 1.364 33.851 32.500 -0.021 0.000 1.078 6 K HN 0.430 nan 8.250 nan 0.000 0.459 7 T N 4.220 118.765 114.554 -0.015 0.000 2.797 7 T HA 0.277 4.626 4.350 -0.000 0.000 0.279 7 T C -1.054 173.640 174.700 -0.011 0.000 0.991 7 T CA -0.662 61.438 62.100 0.000 0.000 0.979 7 T CB 0.923 69.820 68.868 0.049 0.000 0.943 7 T HN 0.396 nan 8.240 nan 0.000 0.444 8 L N 5.189 126.390 121.223 -0.038 0.000 2.264 8 L HA 0.548 4.888 4.340 -0.000 0.000 0.289 8 L C -0.703 176.115 176.870 -0.087 0.000 1.044 8 L CA -0.362 54.435 54.840 -0.071 0.000 0.807 8 L CB 0.748 42.738 42.059 -0.114 0.000 1.192 8 L HN 0.431 nan 8.230 nan 0.000 0.425 9 V N 6.375 126.226 119.914 -0.104 0.000 2.385 9 V HA 0.331 4.451 4.120 -0.000 0.000 0.269 9 V C -0.028 175.932 176.094 -0.223 0.000 1.043 9 V CA -0.619 61.553 62.300 -0.213 0.000 0.906 9 V CB 1.174 32.815 31.823 -0.303 0.000 0.995 9 V HN 0.508 nan 8.190 nan 0.000 0.467 10 V N 4.672 124.429 119.914 -0.262 0.000 2.350 10 V HA 0.644 4.764 4.120 -0.000 0.000 0.276 10 V C 0.209 176.225 176.094 -0.129 0.000 1.028 10 V CA 0.019 62.227 62.300 -0.154 0.000 0.860 10 V CB 1.505 33.234 31.823 -0.158 0.000 0.990 10 V HN 0.969 nan 8.190 nan 0.000 0.453 11 T N 3.017 117.474 114.554 -0.162 0.000 2.982 11 T HA 0.289 4.639 4.350 -0.000 0.000 0.321 11 T C 0.371 175.014 174.700 -0.096 0.000 1.229 11 T CA -0.488 61.550 62.100 -0.104 0.000 1.044 11 T CB 1.619 70.424 68.868 -0.105 0.000 1.184 11 T HN 0.602 nan 8.240 nan 0.000 0.477 12 N N 2.495 121.174 118.700 -0.034 0.000 2.412 12 N HA 0.114 4.854 4.740 -0.000 0.000 0.184 12 N C -0.560 174.964 175.510 0.022 0.000 1.101 12 N CA 0.317 53.360 53.050 -0.013 0.000 0.881 12 N CB 0.423 38.911 38.487 0.002 0.000 0.969 12 N HN 0.565 nan 8.380 nan 0.000 0.459 13 D N 0.185 120.611 120.400 0.042 0.000 2.440 13 D HA 0.226 4.866 4.640 -0.000 0.000 0.239 13 D C -1.321 175.096 176.300 0.195 0.000 1.084 13 D CA -0.195 53.846 54.000 0.069 0.000 0.843 13 D CB 1.072 41.882 40.800 0.018 0.000 1.097 13 D HN 0.000 nan 8.370 nan 0.000 0.531 14 F N 2.000 121.921 119.950 -0.049 0.000 2.688 14 F HA 0.283 4.810 4.527 -0.000 0.000 0.308 14 F C -2.525 173.212 175.800 -0.105 0.000 1.117 14 F CA -1.849 56.123 58.000 -0.047 0.000 0.976 14 F CB 1.981 40.971 39.000 -0.016 0.000 1.291 14 F HN -0.001 nan 8.300 nan 0.000 0.439 15 P HA 0.159 nan 4.420 nan 0.000 0.270 15 P C -2.256 174.683 177.300 -0.601 0.000 1.227 15 P CA -0.745 61.917 63.100 -0.730 0.000 0.788 15 P CB 0.224 31.242 31.700 -1.136 0.000 0.926 16 P HA -0.018 nan 4.420 nan 0.000 0.245 16 P C 0.369 177.484 177.300 -0.307 0.000 1.212 16 P CA 0.568 63.318 63.100 -0.584 0.000 0.774 16 P CB 0.325 31.826 31.700 -0.333 0.000 0.999 17 R N 1.089 121.462 120.500 -0.211 0.000 2.522 17 R HA 0.103 4.443 4.340 -0.000 0.000 0.284 17 R C 0.169 176.386 176.300 -0.138 0.000 1.032 17 R CA -0.154 55.869 56.100 -0.128 0.000 1.049 17 R CB 0.154 30.410 30.300 -0.072 0.000 0.956 17 R HN -0.040 nan 8.270 nan 0.000 0.422 18 I N 3.268 123.780 120.570 -0.097 0.000 2.428 18 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 18 I C 0.966 177.054 176.117 -0.048 0.000 1.019 18 I CA 0.384 61.637 61.300 -0.078 0.000 1.351 18 I CB 0.744 38.711 38.000 -0.055 0.000 1.412 18 I HN 0.870 nan 8.210 nan 0.000 0.513 19 G N 3.218 111.997 108.800 -0.035 0.000 2.328 19 G HA2 0.366 4.326 3.960 -0.000 0.000 0.295 19 G HA3 0.366 4.326 3.960 -0.000 0.000 0.295 19 G C 0.337 175.245 174.900 0.013 0.000 1.413 19 G CA -0.213 44.880 45.100 -0.012 0.000 0.817 19 G HN 0.704 nan 8.290 nan 0.000 0.546 20 G N -0.559 108.257 108.800 0.026 0.000 2.404 20 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.215 20 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.215 20 G C 1.682 176.639 174.900 0.095 0.000 1.174 20 G CA 1.354 46.494 45.100 0.067 0.000 0.780 20 G HN 0.588 nan 8.290 nan 0.000 0.537 21 I N 0.237 120.811 120.570 0.006 0.000 2.353 21 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 21 I C 2.962 179.149 176.117 0.116 0.000 1.119 21 I CA 0.849 62.143 61.300 -0.010 0.000 1.417 21 I CB -0.177 37.680 38.000 -0.238 0.000 1.078 21 I HN 0.124 nan 8.210 nan 0.000 0.421 22 Q N 0.562 120.387 119.800 0.042 0.000 2.061 22 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 22 Q C 2.442 178.440 176.000 -0.004 0.000 0.984 22 Q CA 2.124 57.921 55.803 -0.010 0.000 0.846 22 Q CB -0.392 28.292 28.738 -0.089 0.000 0.902 22 Q HN 0.348 nan 8.270 nan 0.000 0.421 23 S N -0.527 115.202 115.700 0.049 0.000 2.368 23 S HA -0.168 4.302 4.470 -0.000 0.000 0.225 23 S C 1.612 176.313 174.600 0.168 0.000 1.030 23 S CA 1.102 59.343 58.200 0.069 0.000 0.999 23 S CB -0.482 62.781 63.200 0.105 0.000 0.844 23 S HN 0.453 nan 8.310 nan 0.000 0.459 24 Y N 2.249 122.655 120.300 0.177 0.000 2.097 24 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 24 Y C 1.923 178.053 175.900 0.384 0.000 1.152 24 Y CA 1.553 59.871 58.100 0.364 0.000 1.136 24 Y CB -0.397 38.306 38.460 0.407 0.000 0.975 24 Y HN 0.136 nan 8.280 nan 0.000 0.498 25 L N -0.088 121.368 121.223 0.389 0.000 2.072 25 L HA -0.176 4.164 4.340 -0.000 0.000 0.205 25 L C 2.761 179.715 176.870 0.139 0.000 1.079 25 L CA 1.540 56.526 54.840 0.243 0.000 0.752 25 L CB -0.639 41.541 42.059 0.202 0.000 0.906 25 L HN 0.185 nan 8.230 nan 0.000 0.436 26 R N 0.463 120.980 120.500 0.029 0.000 2.083 26 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 26 R C 1.726 177.952 176.300 -0.123 0.000 1.137 26 R CA 2.218 58.286 56.100 -0.054 0.000 0.951 26 R CB -0.209 29.998 30.300 -0.154 0.000 0.851 26 R HN 0.336 nan 8.270 nan 0.000 0.434 27 D N -0.465 119.750 120.400 -0.307 0.000 2.149 27 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 27 D C 1.760 177.558 176.300 -0.836 0.000 0.972 27 D CA 0.928 54.450 54.000 -0.798 0.000 0.835 27 D CB -0.268 39.700 40.800 -1.387 0.000 0.966 27 D HN 0.175 nan 8.370 nan 0.000 0.476 28 F N 1.048 120.750 119.950 -0.413 0.000 2.146 28 F HA -0.036 4.491 4.527 -0.000 0.000 0.298 28 F C 2.367 178.155 175.800 -0.020 0.000 1.096 28 F CA 0.556 58.491 58.000 -0.108 0.000 1.275 28 F CB -0.427 38.614 39.000 0.068 0.000 1.008 28 F HN -0.097 nan 8.300 nan 0.000 0.480 29 I N -0.386 120.293 120.570 0.181 0.000 2.226 29 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 29 I C 2.521 178.619 176.117 -0.031 0.000 1.100 29 I CA 1.243 62.578 61.300 0.059 0.000 1.374 29 I CB -0.715 37.258 38.000 -0.046 0.000 1.057 29 I HN 0.079 nan 8.210 nan 0.000 0.413 30 A N 0.418 123.214 122.820 -0.041 0.000 2.125 30 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 30 A C 2.324 179.881 177.584 -0.045 0.000 1.156 30 A CA 2.094 54.108 52.037 -0.039 0.000 0.671 30 A CB -1.057 17.874 19.000 -0.115 0.000 0.794 30 A HN 0.556 nan 8.150 nan 0.000 0.459 31 T N -3.181 111.348 114.554 -0.040 0.000 3.088 31 T HA 0.084 4.434 4.350 -0.000 0.000 0.259 31 T C 0.790 175.512 174.700 0.036 0.000 1.122 31 T CA 0.182 62.291 62.100 0.015 0.000 1.095 31 T CB -0.072 68.843 68.868 0.078 0.000 0.930 31 T HN 0.356 nan 8.240 nan 0.000 0.508 32 Q N 1.728 121.544 119.800 0.027 0.000 2.193 32 Q HA 0.332 4.672 4.340 -0.000 0.000 0.246 32 Q C -0.657 175.347 176.000 0.008 0.000 0.959 32 Q CA -0.700 55.112 55.803 0.015 0.000 0.904 32 Q CB 0.828 29.571 28.738 0.008 0.000 1.238 32 Q HN 0.284 nan 8.270 nan 0.000 0.469 33 D N 2.466 122.870 120.400 0.007 0.000 2.412 33 D HA 0.001 4.640 4.640 -0.000 0.000 0.257 33 D C -1.440 174.870 176.300 0.018 0.000 1.217 33 D CA -1.398 52.610 54.000 0.014 0.000 0.897 33 D CB 0.853 41.658 40.800 0.008 0.000 1.132 33 D HN 0.142 nan 8.370 nan 0.000 0.493 34 P HA -0.149 nan 4.420 nan 0.000 0.219 34 P C 0.653 178.008 177.300 0.092 0.000 1.146 34 P CA 1.019 64.183 63.100 0.108 0.000 0.808 34 P CB 0.322 32.121 31.700 0.165 0.000 0.779 35 E N 0.106 120.338 120.200 0.054 0.000 2.347 35 E HA -0.066 4.284 4.350 -0.000 0.000 0.196 35 E C 1.724 178.338 176.600 0.023 0.000 1.008 35 E CA 1.172 57.595 56.400 0.039 0.000 0.852 35 E CB -0.232 29.483 29.700 0.024 0.000 0.783 35 E HN 0.349 nan 8.360 nan 0.000 0.505 36 S N -0.008 115.699 115.700 0.011 0.000 2.597 36 S HA 0.162 4.632 4.470 -0.000 0.000 0.224 36 S C 0.459 175.051 174.600 -0.014 0.000 0.955 36 S CA -0.356 57.842 58.200 -0.004 0.000 0.933 36 S CB 0.310 63.504 63.200 -0.010 0.000 0.788 36 S HN -0.046 nan 8.310 nan 0.000 0.488 37 I N 2.121 122.680 120.570 -0.018 0.000 2.466 37 I HA 0.534 4.704 4.170 -0.000 0.000 0.289 37 I C -0.860 175.254 176.117 -0.005 0.000 1.026 37 I CA -0.852 60.410 61.300 -0.064 0.000 1.078 37 I CB 1.833 39.684 38.000 -0.248 0.000 1.249 37 I HN -0.015 nan 8.210 nan 0.000 0.429 38 V N 6.588 126.495 119.914 -0.012 0.000 2.656 38 V HA 0.532 4.652 4.120 -0.000 0.000 0.307 38 V C -0.196 175.888 176.094 -0.017 0.000 1.051 38 V CA -0.759 61.557 62.300 0.027 0.000 0.893 38 V CB 2.875 34.699 31.823 0.001 0.000 0.999 38 V HN 0.418 nan 8.190 nan 0.000 0.426 39 V N 4.407 124.322 119.914 0.003 0.000 2.513 39 V HA 0.497 4.617 4.120 -0.000 0.000 0.299 39 V C -0.908 175.169 176.094 -0.029 0.000 1.035 39 V CA -0.535 61.684 62.300 -0.135 0.000 0.889 39 V CB 1.749 33.336 31.823 -0.394 0.000 0.988 39 V HN 0.700 nan 8.190 nan 0.000 0.440 40 F N 4.808 124.618 119.950 -0.233 0.000 2.382 40 F HA 0.819 5.346 4.527 0.000 0.000 0.361 40 F C 0.070 175.768 175.800 -0.170 0.000 1.109 40 F CA -1.109 56.793 58.000 -0.162 0.000 1.031 40 F CB 0.778 39.682 39.000 -0.159 0.000 1.234 40 F HN 0.573 nan 8.300 nan 0.000 0.445 41 A N 3.719 126.374 122.820 -0.276 0.000 2.435 41 A HA 0.700 5.020 4.320 -0.000 0.000 0.304 41 A C -0.502 177.001 177.584 -0.135 0.000 1.064 41 A CA -0.379 51.502 52.037 -0.261 0.000 0.727 41 A CB 1.042 19.894 19.000 -0.247 0.000 1.284 41 A HN 0.824 nan 8.150 nan 0.000 0.415 42 S N 0.601 116.261 115.700 -0.067 0.000 2.589 42 S HA 0.559 5.029 4.470 -0.000 0.000 0.265 42 S C 0.013 174.652 174.600 0.064 0.000 1.342 42 S CA 0.039 58.271 58.200 0.054 0.000 1.005 42 S CB 0.590 63.829 63.200 0.065 0.000 0.909 42 S HN 0.781 nan 8.310 nan 0.000 0.555 43 T N 2.176 116.764 114.554 0.057 0.000 2.815 43 T HA 0.373 4.723 4.350 -0.000 0.000 0.289 43 T C 0.159 174.874 174.700 0.025 0.000 1.000 43 T CA -0.515 61.614 62.100 0.048 0.000 0.958 43 T CB 1.698 70.590 68.868 0.040 0.000 0.944 43 T HN 0.602 nan 8.240 nan 0.000 0.442 44 Q N 1.533 121.348 119.800 0.024 0.000 2.259 44 Q HA 0.243 4.583 4.340 -0.000 0.000 0.201 44 Q C 0.639 176.643 176.000 0.006 0.000 0.938 44 Q CA 0.543 56.352 55.803 0.009 0.000 0.872 44 Q CB 0.412 29.152 28.738 0.003 0.000 0.971 44 Q HN 0.475 nan 8.270 nan 0.000 0.494 45 N N -0.644 118.064 118.700 0.014 0.000 2.533 45 N HA 0.317 5.057 4.740 -0.000 0.000 0.289 45 N C -0.527 175.003 175.510 0.033 0.000 1.103 45 N CA 0.170 53.229 53.050 0.015 0.000 0.877 45 N CB 1.532 40.025 38.487 0.009 0.000 1.419 45 N HN 0.051 nan 8.380 nan 0.000 0.517 46 A N 2.210 125.047 122.820 0.028 0.000 1.969 46 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 46 A C 1.823 179.449 177.584 0.069 0.000 1.169 46 A CA 2.090 54.154 52.037 0.043 0.000 0.635 46 A CB -0.332 18.677 19.000 0.015 0.000 0.810 46 A HN 0.732 nan 8.150 nan 0.000 0.445 47 E N -0.034 120.195 120.200 0.049 0.000 2.112 47 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 47 E C 1.620 178.280 176.600 0.100 0.000 0.979 47 E CA 1.145 57.582 56.400 0.061 0.000 0.814 47 E CB -0.812 28.905 29.700 0.027 0.000 0.762 47 E HN 0.810 nan 8.360 nan 0.000 0.460 48 E N 0.677 120.922 120.200 0.075 0.000 2.107 48 E HA 0.070 4.420 4.350 -0.000 0.000 0.191 48 E C 2.310 178.978 176.600 0.112 0.000 0.982 48 E CA 0.884 57.330 56.400 0.076 0.000 0.809 48 E CB -0.272 29.449 29.700 0.035 0.000 0.756 48 E HN 0.562 nan 8.360 nan 0.000 0.459 49 A N 0.992 123.881 122.820 0.116 0.000 1.877 49 A HA -0.248 4.072 4.320 -0.000 0.000 0.216 49 A C 1.953 179.651 177.584 0.190 0.000 1.186 49 A CA 1.977 54.105 52.037 0.152 0.000 0.620 49 A CB -0.818 18.263 19.000 0.135 0.000 0.822 49 A HN 0.336 nan 8.150 nan 0.000 0.443 50 H N -0.162 118.960 119.070 0.087 0.000 2.352 50 H HA 0.006 4.562 4.556 -0.000 0.000 0.299 50 H C 2.135 177.498 175.328 0.058 0.000 1.097 50 H CA 2.041 58.129 56.048 0.067 0.000 1.311 50 H CB -0.185 29.602 29.762 0.041 0.000 1.377 50 H HN 0.399 nan 8.280 nan 0.000 0.504 51 A N -0.237 122.662 122.820 0.132 0.000 1.902 51 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 51 A C 2.301 179.893 177.584 0.014 0.000 1.181 51 A CA 1.532 53.608 52.037 0.064 0.000 0.623 51 A CB -1.309 17.753 19.000 0.103 0.000 0.818 51 A HN 0.680 nan 8.150 nan 0.000 0.443 52 Y N 1.242 121.515 120.300 -0.044 0.000 2.181 52 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 52 Y C 1.788 177.632 175.900 -0.093 0.000 1.146 52 Y CA 2.096 60.159 58.100 -0.063 0.000 1.164 52 Y CB -0.157 38.277 38.460 -0.043 0.000 0.982 52 Y HN 0.359 nan 8.280 nan 0.000 0.515 53 D N 0.036 120.422 120.400 -0.024 0.000 2.178 53 D HA -0.157 4.483 4.640 -0.000 0.000 0.201 53 D C 1.913 178.053 176.300 -0.266 0.000 0.980 53 D CA 1.248 55.173 54.000 -0.125 0.000 0.842 53 D CB -0.233 40.547 40.800 -0.033 0.000 0.948 53 D HN 0.375 nan 8.370 nan 0.000 0.472 54 K N -0.047 120.181 120.400 -0.287 0.000 2.209 54 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 54 K C 1.999 178.455 176.600 -0.239 0.000 1.048 54 K CA 1.367 57.499 56.287 -0.258 0.000 0.940 54 K CB -0.014 32.346 32.500 -0.233 0.000 0.729 54 K HN 0.260 nan 8.250 nan 0.000 0.451 55 T N -1.218 113.153 114.554 -0.305 0.000 3.055 55 T HA 0.058 4.408 4.350 -0.000 0.000 0.265 55 T C 0.857 175.361 174.700 -0.326 0.000 1.111 55 T CA 0.173 62.091 62.100 -0.304 0.000 1.118 55 T CB -0.109 68.536 68.868 -0.373 0.000 0.909 55 T HN -0.065 nan 8.240 nan 0.000 0.501 56 L N 2.226 123.206 121.223 -0.405 0.000 2.399 56 L HA 0.418 4.758 4.340 -0.000 0.000 0.265 56 L C 0.855 177.526 176.870 -0.332 0.000 1.089 56 L CA -0.817 53.750 54.840 -0.456 0.000 0.802 56 L CB 0.873 42.482 42.059 -0.750 0.000 1.180 56 L HN 0.166 nan 8.230 nan 0.000 0.454 57 D N -1.205 119.041 120.400 -0.256 0.000 2.363 57 D HA 0.054 4.694 4.640 -0.000 0.000 0.214 57 D C -0.404 175.903 176.300 0.011 0.000 1.093 57 D CA 0.005 53.952 54.000 -0.089 0.000 0.837 57 D CB -0.158 40.637 40.800 -0.009 0.000 0.948 57 D HN 0.397 nan 8.370 nan 0.000 0.507 58 Y N -1.817 118.480 120.300 -0.006 0.000 2.576 58 Y HA 0.576 5.126 4.550 -0.000 0.000 0.346 58 Y C -0.136 175.770 175.900 0.010 0.000 1.018 58 Y CA -1.777 56.328 58.100 0.009 0.000 1.050 58 Y CB 0.965 39.442 38.460 0.028 0.000 1.280 58 Y HN -0.199 nan 8.280 nan 0.000 0.474 59 E N 1.491 121.808 120.200 0.195 0.000 2.344 59 E HA 0.399 4.749 4.350 -0.000 0.000 0.270 59 E C -1.439 175.254 176.600 0.155 0.000 1.021 59 E CA -0.408 56.055 56.400 0.104 0.000 0.887 59 E CB 0.933 30.678 29.700 0.075 0.000 0.997 59 E HN 0.615 nan 8.360 nan 0.000 0.429 60 V N 6.924 126.884 119.914 0.077 0.000 2.409 60 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 60 V C -0.036 176.111 176.094 0.088 0.000 1.020 60 V CA -0.612 61.734 62.300 0.076 0.000 0.848 60 V CB 1.316 33.197 31.823 0.097 0.000 0.990 60 V HN 0.611 nan 8.190 nan 0.000 0.430 61 I N 5.823 126.467 120.570 0.123 0.000 2.304 61 I HA 0.448 4.618 4.170 -0.000 0.000 0.291 61 I C 0.280 176.566 176.117 0.281 0.000 1.018 61 I CA -0.529 60.891 61.300 0.199 0.000 1.260 61 I CB 0.851 38.968 38.000 0.196 0.000 1.390 61 I HN 0.386 nan 8.210 nan 0.000 0.475 62 R N 6.079 126.721 120.500 0.236 0.000 2.265 62 R HA 0.152 4.492 4.340 -0.000 0.000 0.314 62 R C -0.698 175.793 176.300 0.319 0.000 1.053 62 R CA -0.385 55.844 56.100 0.215 0.000 0.931 62 R CB 1.176 31.569 30.300 0.154 0.000 1.024 62 R HN 0.696 nan 8.270 nan 0.000 0.457 63 W N 6.851 128.151 121.300 -0.000 0.000 2.345 63 W HA 0.184 4.844 4.660 -0.000 0.000 0.308 63 W C -1.916 174.601 176.519 -0.004 0.000 1.273 63 W CA -2.073 55.266 57.345 -0.010 0.000 1.243 63 W CB 1.394 30.673 29.460 -0.302 0.000 1.260 63 W HN 0.324 nan 8.180 nan 0.000 0.509 64 P HA 0.085 nan 4.420 nan 0.000 0.237 64 P C -0.484 176.596 177.300 -0.368 0.000 1.723 64 P CA 0.468 63.402 63.100 -0.277 0.000 0.882 64 P CB -0.060 31.492 31.700 -0.247 0.000 1.810 65 R N -0.568 119.727 120.500 -0.341 0.000 2.744 65 R HA 0.265 4.605 4.340 -0.000 0.000 0.279 65 R C 1.103 177.381 176.300 -0.035 0.000 0.977 65 R CA -0.618 55.365 56.100 -0.194 0.000 0.906 65 R CB 1.373 31.560 30.300 -0.188 0.000 1.197 65 R HN -0.050 nan 8.270 nan 0.000 0.463 66 S N 0.492 116.181 115.700 -0.018 0.000 2.382 66 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 66 S C 0.614 175.236 174.600 0.036 0.000 1.027 66 S CA 0.873 59.078 58.200 0.009 0.000 0.991 66 S CB 0.287 63.488 63.200 0.001 0.000 0.823 66 S HN 0.322 nan 8.310 nan 0.000 0.469 67 V N 2.344 122.292 119.914 0.057 0.000 2.531 67 V HA 0.438 4.558 4.120 -0.000 0.000 0.301 67 V C -0.304 175.876 176.094 0.144 0.000 1.034 67 V CA -0.526 61.818 62.300 0.074 0.000 0.865 67 V CB 1.611 33.465 31.823 0.051 0.000 0.995 67 V HN 0.458 nan 8.190 nan 0.000 0.424 68 M N 6.193 125.870 119.600 0.128 0.000 2.120 68 M HA 0.541 5.021 4.480 -0.000 0.000 0.354 68 M C -1.541 174.788 176.300 0.049 0.000 1.287 68 M CA -0.061 55.306 55.300 0.112 0.000 1.103 68 M CB 0.374 32.917 32.600 -0.094 0.000 1.623 68 M HN 0.558 nan 8.290 nan 0.000 0.471 69 L N 7.520 128.793 121.223 0.084 0.000 2.342 69 L HA 0.574 4.914 4.340 -0.000 0.000 0.271 69 L C -1.903 174.984 176.870 0.028 0.000 1.008 69 L CA -1.882 52.992 54.840 0.057 0.000 0.818 69 L CB 2.031 44.142 42.059 0.087 0.000 1.296 69 L HN 0.547 nan 8.230 nan 0.000 0.427 70 P HA 0.054 nan 4.420 nan 0.000 0.228 70 P C -0.126 177.187 177.300 0.021 0.000 1.748 70 P CA -0.198 62.902 63.100 -0.000 0.000 0.909 70 P CB -0.665 31.019 31.700 -0.026 0.000 1.882 71 T N -2.377 112.205 114.554 0.048 0.000 2.849 71 T HA 0.298 4.648 4.350 -0.000 0.000 0.284 71 T C -1.622 173.119 174.700 0.068 0.000 1.004 71 T CA -1.862 60.277 62.100 0.066 0.000 1.021 71 T CB 0.367 69.298 68.868 0.105 0.000 1.013 71 T HN -0.168 nan 8.240 nan 0.000 0.527 72 P HA -0.146 nan 4.420 nan 0.000 0.216 72 P C 1.948 179.314 177.300 0.112 0.000 1.153 72 P CA 1.789 64.933 63.100 0.073 0.000 0.858 72 P CB -0.283 31.450 31.700 0.055 0.000 0.789 73 T N -4.025 110.614 114.554 0.142 0.000 2.904 73 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 73 T C 1.738 176.581 174.700 0.238 0.000 1.059 73 T CA 1.886 64.117 62.100 0.218 0.000 1.137 73 T CB -1.527 67.493 68.868 0.254 0.000 0.879 73 T HN 0.005 nan 8.240 nan 0.000 0.467 74 T N 1.955 116.592 114.554 0.138 0.000 2.777 74 T HA 0.159 4.509 4.350 -0.000 0.000 0.266 74 T C 2.462 177.102 174.700 -0.100 0.000 1.040 74 T CA 1.207 63.202 62.100 -0.176 0.000 1.141 74 T CB -0.880 67.866 68.868 -0.203 0.000 0.868 74 T HN 0.602 nan 8.240 nan 0.000 0.444 75 A N 1.373 124.201 122.820 0.012 0.000 1.883 75 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 75 A C 2.035 179.639 177.584 0.033 0.000 1.186 75 A CA 2.427 54.485 52.037 0.036 0.000 0.624 75 A CB -1.064 17.970 19.000 0.057 0.000 0.822 75 A HN 0.708 nan 8.150 nan 0.000 0.444 76 H N -0.282 118.785 119.070 -0.004 0.000 2.353 76 H HA 0.075 4.631 4.556 -0.000 0.000 0.300 76 H C 2.126 177.434 175.328 -0.034 0.000 1.090 76 H CA 1.930 57.977 56.048 -0.003 0.000 1.327 76 H CB -0.266 29.515 29.762 0.031 0.000 1.383 76 H HN 0.386 nan 8.280 nan 0.000 0.508 77 A N 1.153 123.937 122.820 -0.059 0.000 1.902 77 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 77 A C 2.609 179.945 177.584 -0.414 0.000 1.181 77 A CA 1.759 53.698 52.037 -0.163 0.000 0.623 77 A CB -0.913 18.080 19.000 -0.012 0.000 0.818 77 A HN 0.656 nan 8.150 nan 0.000 0.443 78 M N -0.295 119.082 119.600 -0.372 0.000 2.086 78 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 78 M C 2.316 178.433 176.300 -0.305 0.000 1.067 78 M CA 1.892 56.950 55.300 -0.403 0.000 1.116 78 M CB -0.350 32.190 32.600 -0.100 0.000 1.348 78 M HN 0.421 nan 8.290 nan 0.000 0.407 79 A N 0.156 122.843 122.820 -0.221 0.000 1.917 79 A HA -0.276 4.044 4.320 -0.000 0.000 0.219 79 A C 1.953 179.396 177.584 -0.235 0.000 1.182 79 A CA 2.225 54.150 52.037 -0.187 0.000 0.633 79 A CB -1.043 17.873 19.000 -0.139 0.000 0.819 79 A HN 0.762 nan 8.150 nan 0.000 0.448 80 E N -0.254 119.745 120.200 -0.336 0.000 2.077 80 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 80 E C 1.870 178.335 176.600 -0.225 0.000 0.989 80 E CA 1.342 57.569 56.400 -0.288 0.000 0.800 80 E CB -0.233 29.268 29.700 -0.331 0.000 0.746 80 E HN 0.688 nan 8.360 nan 0.000 0.452 81 I N 0.757 121.155 120.570 -0.288 0.000 2.226 81 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 81 I C 2.355 178.358 176.117 -0.189 0.000 1.100 81 I CA 0.877 62.019 61.300 -0.263 0.000 1.374 81 I CB -0.212 37.542 38.000 -0.411 0.000 1.057 81 I HN 0.190 nan 8.210 nan 0.000 0.413 82 I N 0.499 120.958 120.570 -0.185 0.000 2.163 82 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 82 I C 2.740 178.799 176.117 -0.097 0.000 1.085 82 I CA 1.536 62.759 61.300 -0.128 0.000 1.347 82 I CB -0.401 37.532 38.000 -0.113 0.000 1.044 82 I HN 0.156 nan 8.210 nan 0.000 0.408 83 R N 0.517 120.957 120.500 -0.099 0.000 2.066 83 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 83 R C 2.550 178.811 176.300 -0.065 0.000 1.131 83 R CA 1.699 57.755 56.100 -0.073 0.000 0.955 83 R CB -0.673 29.584 30.300 -0.071 0.000 0.851 83 R HN 0.466 nan 8.270 nan 0.000 0.432 84 E N 1.387 121.540 120.200 -0.078 0.000 2.112 84 E HA -0.063 4.287 4.350 -0.000 0.000 0.190 84 E C 1.848 178.416 176.600 -0.053 0.000 0.979 84 E CA 0.773 57.136 56.400 -0.061 0.000 0.814 84 E CB -0.227 29.433 29.700 -0.067 0.000 0.762 84 E HN 0.121 nan 8.360 nan 0.000 0.460 85 R N -0.057 120.405 120.500 -0.064 0.000 2.334 85 R HA 0.139 4.479 4.340 -0.000 0.000 0.220 85 R C -0.223 176.051 176.300 -0.044 0.000 0.917 85 R CA 0.428 56.497 56.100 -0.051 0.000 1.073 85 R CB -0.182 30.083 30.300 -0.058 0.000 1.056 85 R HN 0.617 nan 8.270 nan 0.000 0.506 86 E N 1.267 121.440 120.200 -0.046 0.000 2.210 86 E HA -0.190 4.160 4.350 -0.000 0.000 0.201 86 E C -0.457 176.119 176.600 -0.039 0.000 1.339 86 E CA 0.253 56.630 56.400 -0.038 0.000 0.699 86 E CB -0.788 28.895 29.700 -0.028 0.000 1.126 86 E HN 0.146 nan 8.360 nan 0.000 0.355 87 I N 1.417 121.957 120.570 -0.050 0.000 2.496 87 I HA -0.009 4.161 4.170 -0.000 0.000 0.285 87 I C 1.525 177.616 176.117 -0.042 0.000 1.080 87 I CA 0.396 61.666 61.300 -0.051 0.000 1.404 87 I CB 0.814 38.771 38.000 -0.071 0.000 1.403 87 I HN 0.214 nan 8.210 nan 0.000 0.539 88 D N 4.051 124.430 120.400 -0.036 0.000 2.269 88 D HA 0.027 4.667 4.640 -0.000 0.000 0.220 88 D C 0.195 176.475 176.300 -0.032 0.000 0.962 88 D CA 0.932 54.913 54.000 -0.031 0.000 0.884 88 D CB 0.427 41.210 40.800 -0.029 0.000 1.023 88 D HN 0.473 nan 8.370 nan 0.000 0.484 89 N N 0.766 119.445 118.700 -0.035 0.000 2.399 89 N HA 0.302 5.042 4.740 -0.000 0.000 0.295 89 N C -0.722 174.762 175.510 -0.043 0.000 1.048 89 N CA -0.326 52.704 53.050 -0.034 0.000 0.886 89 N CB 2.997 41.463 38.487 -0.036 0.000 1.185 89 N HN -0.204 nan 8.380 nan 0.000 0.487 90 V N 2.199 122.077 119.914 -0.060 0.000 2.357 90 V HA 0.269 4.389 4.120 -0.000 0.000 0.284 90 V C -0.876 175.146 176.094 -0.120 0.000 1.018 90 V CA -0.803 61.399 62.300 -0.164 0.000 0.841 90 V CB 1.383 33.040 31.823 -0.277 0.000 0.991 90 V HN 0.637 nan 8.190 nan 0.000 0.437 91 W N 7.552 128.655 121.300 -0.329 0.000 2.296 91 W HA 0.617 5.277 4.660 0.000 0.000 0.316 91 W C -1.109 175.254 176.519 -0.262 0.000 1.022 91 W CA -2.327 54.891 57.345 -0.212 0.000 1.324 91 W CB 0.912 30.304 29.460 -0.114 0.000 1.227 91 W HN 0.414 nan 8.180 nan 0.000 0.409 92 F N 5.167 125.237 119.950 0.199 0.000 2.444 92 F HA 0.289 4.816 4.527 -0.000 0.000 0.360 92 F C 1.717 177.468 175.800 -0.081 0.000 1.106 92 F CA 0.600 58.613 58.000 0.022 0.000 1.170 92 F CB 0.685 39.726 39.000 0.069 0.000 1.113 92 F HN 0.607 nan 8.300 nan 0.000 0.521 93 G N 2.883 111.615 108.800 -0.114 0.000 2.450 93 G HA2 0.100 4.060 3.960 -0.000 0.000 0.220 93 G HA3 0.100 4.060 3.960 -0.000 0.000 0.220 93 G C 0.307 175.348 174.900 0.235 0.000 1.130 93 G CA 0.773 45.790 45.100 -0.138 0.000 0.760 93 G HN 0.764 nan 8.290 nan 0.000 0.557 94 A N -1.186 121.777 122.820 0.238 0.000 2.359 94 A HA 0.783 5.103 4.320 -0.000 0.000 0.303 94 A C 0.927 178.637 177.584 0.209 0.000 1.066 94 A CA 0.426 52.643 52.037 0.300 0.000 0.730 94 A CB 1.520 20.649 19.000 0.214 0.000 1.211 94 A HN 0.696 nan 8.150 nan 0.000 0.439 95 A N 2.061 124.989 122.820 0.180 0.000 1.865 95 A HA 0.352 4.672 4.320 -0.000 0.000 0.217 95 A C 1.417 179.025 177.584 0.040 0.000 1.191 95 A CA 1.859 53.952 52.037 0.092 0.000 0.623 95 A CB -0.472 18.569 19.000 0.067 0.000 0.826 95 A HN 2.119 nan 8.150 nan 0.000 0.444 96 A N -0.200 122.669 122.820 0.083 0.000 2.276 96 A HA 0.590 4.910 4.320 -0.000 0.000 0.316 96 A C -1.299 176.307 177.584 0.037 0.000 1.229 96 A CA -1.131 50.932 52.037 0.043 0.000 0.851 96 A CB 0.583 19.616 19.000 0.057 0.000 1.165 96 A HN 0.300 nan 8.150 nan 0.000 0.513 97 P HA 0.137 nan 4.420 nan 0.000 0.264 97 P C 1.029 178.271 177.300 -0.095 0.000 1.259 97 P CA 0.141 63.220 63.100 -0.035 0.000 0.841 97 P CB 0.233 31.921 31.700 -0.021 0.000 1.232 98 L N 0.006 121.174 121.223 -0.092 0.000 2.191 98 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 98 L C 2.331 178.848 176.870 -0.588 0.000 1.103 98 L CA 1.236 55.986 54.840 -0.151 0.000 0.769 98 L CB -0.828 41.256 42.059 0.041 0.000 0.908 98 L HN -0.044 nan 8.230 nan 0.000 0.438 99 A N -0.235 122.140 122.820 -0.743 0.000 2.216 99 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 99 A C 2.105 179.291 177.584 -0.664 0.000 1.160 99 A CA 0.653 51.944 52.037 -1.244 0.000 0.725 99 A CB -0.546 18.107 19.000 -0.580 0.000 0.784 99 A HN 0.402 nan 8.150 nan 0.000 0.472 100 L N -1.189 119.806 121.223 -0.380 0.000 2.353 100 L HA -0.081 4.259 4.340 -0.000 0.000 0.220 100 L C 2.067 178.837 176.870 -0.167 0.000 1.133 100 L CA 0.744 55.463 54.840 -0.202 0.000 0.798 100 L CB -0.361 41.628 42.059 -0.118 0.000 0.922 100 L HN 0.448 nan 8.230 nan 0.000 0.445 101 M N -1.141 118.324 119.600 -0.225 0.000 2.563 101 M HA 0.085 4.565 4.480 -0.000 0.000 0.231 101 M C 2.138 178.496 176.300 0.097 0.000 1.136 101 M CA 0.167 55.452 55.300 -0.026 0.000 1.026 101 M CB -0.082 32.572 32.600 0.091 0.000 1.597 101 M HN 0.221 nan 8.290 nan 0.000 0.495 102 A N 1.013 123.823 122.820 -0.016 0.000 1.940 102 A HA -0.051 4.269 4.320 -0.000 0.000 0.219 102 A C 2.307 179.960 177.584 0.114 0.000 1.176 102 A CA 2.002 54.144 52.037 0.174 0.000 0.631 102 A CB -1.257 17.794 19.000 0.086 0.000 0.814 102 A HN 0.541 nan 8.150 nan 0.000 0.446 103 G N -1.024 107.802 108.800 0.043 0.000 2.446 103 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 103 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 103 G C 1.583 176.506 174.900 0.039 0.000 1.168 103 G CA 1.669 46.786 45.100 0.027 0.000 0.771 103 G HN 0.430 nan 8.290 nan 0.000 0.551 104 T N 1.703 116.287 114.554 0.049 0.000 2.746 104 T HA 0.006 4.356 4.350 -0.000 0.000 0.267 104 T C 2.824 177.553 174.700 0.047 0.000 1.039 104 T CA 1.539 63.667 62.100 0.047 0.000 1.142 104 T CB -0.427 68.472 68.868 0.051 0.000 0.866 104 T HN 0.388 nan 8.240 nan 0.000 0.444 105 A N 1.833 124.705 122.820 0.088 0.000 1.892 105 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 105 A C 2.272 179.876 177.584 0.033 0.000 1.188 105 A CA 1.825 53.901 52.037 0.066 0.000 0.631 105 A CB -0.484 18.596 19.000 0.133 0.000 0.822 105 A HN 0.465 nan 8.150 nan 0.000 0.447 106 K N -0.829 119.598 120.400 0.046 0.000 2.097 106 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 106 K C 2.298 178.905 176.600 0.012 0.000 1.050 106 K CA 1.495 57.797 56.287 0.026 0.000 0.938 106 K CB -0.181 32.337 32.500 0.030 0.000 0.718 106 K HN 0.618 nan 8.250 nan 0.000 0.442 107 Q N -0.063 119.745 119.800 0.013 0.000 2.226 107 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 107 Q C 1.843 177.842 176.000 -0.001 0.000 0.975 107 Q CA 1.286 57.093 55.803 0.007 0.000 0.866 107 Q CB -0.007 28.738 28.738 0.012 0.000 0.915 107 Q HN 0.300 nan 8.270 nan 0.000 0.440 108 A N -0.480 122.335 122.820 -0.008 0.000 2.208 108 A HA 0.264 4.584 4.320 -0.000 0.000 0.209 108 A C 1.500 179.066 177.584 -0.029 0.000 1.161 108 A CA 1.021 53.042 52.037 -0.026 0.000 0.782 108 A CB 0.047 19.018 19.000 -0.047 0.000 0.816 108 A HN 0.461 nan 8.150 nan 0.000 0.477 109 G N -2.492 106.296 108.800 -0.019 0.000 2.318 109 G HA2 0.215 4.175 3.960 -0.000 0.000 0.172 109 G HA3 0.215 4.175 3.960 -0.000 0.000 0.172 109 G C 0.388 175.276 174.900 -0.019 0.000 1.002 109 G CA -0.048 45.041 45.100 -0.020 0.000 0.697 109 G HN 1.381 nan 8.290 nan 0.000 0.483 110 A N 1.010 123.819 122.820 -0.018 0.000 2.488 110 A HA 0.610 4.930 4.320 -0.000 0.000 0.249 110 A C 1.497 179.079 177.584 -0.004 0.000 1.083 110 A CA 1.286 53.313 52.037 -0.017 0.000 0.768 110 A CB 0.375 19.365 19.000 -0.017 0.000 1.017 110 A HN 1.509 nan 8.150 nan 0.000 0.496 111 S N 1.043 116.739 115.700 -0.008 0.000 2.524 111 S HA 0.248 4.718 4.470 -0.000 0.000 0.215 111 S C 0.374 174.974 174.600 0.001 0.000 0.986 111 S CA 0.160 58.359 58.200 -0.003 0.000 0.911 111 S CB -0.001 63.194 63.200 -0.008 0.000 0.805 111 S HN 0.735 nan 8.310 nan 0.000 0.501 112 K N 0.838 121.238 120.400 -0.001 0.000 2.550 112 K HA 0.537 4.857 4.320 -0.000 0.000 0.252 112 K C -2.129 174.479 176.600 0.014 0.000 0.943 112 K CA -0.503 55.784 56.287 0.000 0.000 0.806 112 K CB 2.417 34.901 32.500 -0.027 0.000 1.289 112 K HN 0.032 nan 8.250 nan 0.000 0.435 113 V N 5.395 125.336 119.914 0.045 0.000 2.448 113 V HA 0.507 4.627 4.120 -0.000 0.000 0.295 113 V C -0.581 175.563 176.094 0.084 0.000 1.025 113 V CA -0.792 61.568 62.300 0.100 0.000 0.859 113 V CB 1.434 33.372 31.823 0.191 0.000 0.988 113 V HN 0.600 nan 8.190 nan 0.000 0.431 114 I N 3.742 124.377 120.570 0.108 0.000 2.530 114 I HA 0.868 5.038 4.170 -0.000 0.000 0.297 114 I C 0.134 176.439 176.117 0.312 0.000 1.011 114 I CA -0.381 60.960 61.300 0.067 0.000 1.107 114 I CB 2.080 39.978 38.000 -0.170 0.000 1.285 114 I HN 0.688 nan 8.210 nan 0.000 0.436 115 A N 3.290 126.247 122.820 0.227 0.000 2.422 115 A HA 0.817 5.137 4.320 -0.000 0.000 0.302 115 A C -0.899 176.810 177.584 0.209 0.000 1.041 115 A CA -0.533 51.695 52.037 0.319 0.000 0.708 115 A CB 1.434 20.544 19.000 0.183 0.000 1.257 115 A HN 0.533 nan 8.150 nan 0.000 0.414 116 S N 1.348 117.237 115.700 0.315 0.000 2.480 116 S HA 0.646 5.116 4.470 -0.000 0.000 0.286 116 S C 0.520 175.075 174.600 -0.075 0.000 1.180 116 S CA -0.104 58.196 58.200 0.167 0.000 1.075 116 S CB 1.066 64.488 63.200 0.370 0.000 0.996 116 S HN 1.041 nan 8.310 nan 0.000 0.487 117 T N 0.283 114.752 114.554 -0.142 0.000 2.934 117 T HA 0.474 4.824 4.350 -0.000 0.000 0.283 117 T C 0.082 174.583 174.700 -0.332 0.000 1.005 117 T CA -0.644 61.411 62.100 -0.075 0.000 1.041 117 T CB 0.768 69.732 68.868 0.161 0.000 1.042 117 T HN 0.707 nan 8.240 nan 0.000 0.505 118 H N -0.116 119.096 119.070 0.238 0.000 3.398 118 H HA 0.305 4.861 4.556 0.000 0.000 0.260 118 H C 1.594 177.012 175.328 0.149 0.000 1.189 118 H CA 0.242 56.381 56.048 0.152 0.000 1.145 118 H CB 0.956 30.773 29.762 0.091 0.000 1.599 118 H HN 1.046 nan 8.280 nan 0.000 0.615 119 G N 1.132 110.108 108.800 0.293 0.000 2.184 119 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.206 119 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.206 119 G C 0.403 175.205 174.900 -0.164 0.000 0.995 119 G CA -0.109 45.029 45.100 0.064 0.000 0.651 119 G HN 0.487 nan 8.290 nan 0.000 0.511 120 H N -0.057 119.180 119.070 0.279 0.000 2.674 120 H HA 0.287 4.843 4.556 0.000 0.000 0.274 120 H C 1.725 177.141 175.328 0.147 0.000 1.121 120 H CA 0.530 56.678 56.048 0.167 0.000 1.132 120 H CB 0.719 30.538 29.762 0.095 0.000 1.606 120 H HN 0.446 nan 8.280 nan 0.000 0.558 121 E N 0.767 121.137 120.200 0.284 0.000 2.150 121 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 121 E C 0.411 177.060 176.600 0.082 0.000 0.985 121 E CA 0.553 57.045 56.400 0.153 0.000 0.814 121 E CB 0.546 30.301 29.700 0.092 0.000 0.752 121 E HN 0.023 nan 8.360 nan 0.000 0.466 122 V N -0.070 119.943 119.914 0.164 0.000 2.487 122 V HA 0.795 4.915 4.120 -0.000 0.000 0.298 122 V C 0.212 176.345 176.094 0.066 0.000 1.028 122 V CA -0.167 62.192 62.300 0.099 0.000 0.860 122 V CB 1.516 33.439 31.823 0.167 0.000 0.991 122 V HN 0.248 nan 8.190 nan 0.000 0.427 123 G N 3.068 111.875 108.800 0.012 0.000 2.356 123 G HA2 0.257 4.217 3.960 -0.000 0.000 0.294 123 G HA3 0.257 4.217 3.960 -0.000 0.000 0.294 123 G C -0.224 174.661 174.900 -0.024 0.000 1.423 123 G CA -0.167 44.901 45.100 -0.053 0.000 0.806 123 G HN 0.790 nan 8.290 nan 0.000 0.527 124 W N 0.027 121.355 121.300 0.046 0.000 2.699 124 W HA 0.090 4.750 4.660 -0.000 0.000 0.249 124 W C 1.183 177.721 176.519 0.030 0.000 1.280 124 W CA 1.094 58.458 57.345 0.031 0.000 1.345 124 W CB -0.620 28.857 29.460 0.027 0.000 1.128 124 W HN 0.656 nan 8.180 nan 0.000 0.642 125 S N 0.319 115.926 115.700 -0.156 0.000 2.605 125 S HA 0.155 4.625 4.470 -0.000 0.000 0.217 125 S C 0.777 175.361 174.600 -0.027 0.000 0.958 125 S CA -0.417 57.736 58.200 -0.080 0.000 0.919 125 S CB -0.663 62.306 63.200 -0.384 0.000 0.780 125 S HN 0.115 nan 8.310 nan 0.000 0.507 126 M N 2.231 121.824 119.600 -0.013 0.000 2.255 126 M HA 0.078 4.558 4.480 -0.000 0.000 0.356 126 M C -0.004 176.307 176.300 0.019 0.000 1.338 126 M CA 0.479 55.779 55.300 -0.000 0.000 0.962 126 M CB 0.064 32.667 32.600 0.006 0.000 1.877 126 M HN 0.302 nan 8.290 nan 0.000 0.463 127 L N 4.850 126.078 121.223 0.008 0.000 2.464 127 L HA 0.278 4.618 4.340 -0.000 0.000 0.264 127 L C -1.945 174.932 176.870 0.010 0.000 1.199 127 L CA -2.058 52.790 54.840 0.013 0.000 0.818 127 L CB -0.142 41.921 42.059 0.007 0.000 1.102 127 L HN 0.392 nan 8.230 nan 0.000 0.473 128 P HA 0.081 nan 4.420 nan 0.000 0.268 128 P C 0.652 177.952 177.300 0.000 0.000 1.204 128 P CA 0.667 63.773 63.100 0.009 0.000 0.768 128 P CB 0.790 32.497 31.700 0.012 0.000 0.842 129 G N 2.307 111.103 108.800 -0.006 0.000 2.217 129 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.246 129 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.246 129 G C 1.361 176.247 174.900 -0.024 0.000 0.990 129 G CA 0.586 45.678 45.100 -0.013 0.000 0.627 129 G HN 0.596 nan 8.290 nan 0.000 0.522 130 S N 0.293 115.978 115.700 -0.026 0.000 2.383 130 S HA 0.026 4.496 4.470 -0.000 0.000 0.227 130 S C 2.109 176.666 174.600 -0.073 0.000 1.026 130 S CA 1.467 59.642 58.200 -0.042 0.000 0.981 130 S CB -0.293 62.887 63.200 -0.033 0.000 0.818 130 S HN 0.623 nan 8.310 nan 0.000 0.472 131 R N 0.624 121.084 120.500 -0.067 0.000 2.075 131 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 131 R C 2.683 178.929 176.300 -0.091 0.000 1.126 131 R CA 1.498 57.543 56.100 -0.093 0.000 0.963 131 R CB -0.404 29.859 30.300 -0.062 0.000 0.858 131 R HN 0.435 nan 8.270 nan 0.000 0.435 132 Q N 0.619 120.384 119.800 -0.059 0.000 2.119 132 Q HA -0.054 4.285 4.340 -0.000 0.000 0.201 132 Q C 1.883 177.852 176.000 -0.051 0.000 0.972 132 Q CA 1.755 57.530 55.803 -0.047 0.000 0.847 132 Q CB -0.067 28.653 28.738 -0.030 0.000 0.903 132 Q HN 0.107 nan 8.270 nan 0.000 0.433 133 S N -0.136 115.530 115.700 -0.056 0.000 2.368 133 S HA -0.109 4.361 4.470 -0.000 0.000 0.225 133 S C 1.523 176.084 174.600 -0.064 0.000 1.030 133 S CA 1.076 59.244 58.200 -0.054 0.000 0.999 133 S CB -0.268 62.902 63.200 -0.049 0.000 0.844 133 S HN 0.294 nan 8.310 nan 0.000 0.459 134 L N 1.478 122.624 121.223 -0.128 0.000 2.141 134 L HA 0.044 4.384 4.340 -0.000 0.000 0.209 134 L C 2.455 179.251 176.870 -0.123 0.000 1.094 134 L CA 1.465 56.165 54.840 -0.233 0.000 0.763 134 L CB -0.836 40.880 42.059 -0.572 0.000 0.908 134 L HN 0.111 nan 8.230 nan 0.000 0.437 135 R N -0.197 120.248 120.500 -0.092 0.000 2.066 135 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 135 R C 2.224 178.535 176.300 0.017 0.000 1.131 135 R CA 1.150 57.240 56.100 -0.016 0.000 0.955 135 R CB -0.516 29.769 30.300 -0.026 0.000 0.851 135 R HN 0.355 nan 8.270 nan 0.000 0.432 136 K N 0.545 120.941 120.400 -0.006 0.000 2.032 136 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 136 K C 2.181 178.782 176.600 0.003 0.000 1.048 136 K CA 1.396 57.677 56.287 -0.010 0.000 0.927 136 K CB -0.187 32.297 32.500 -0.025 0.000 0.712 136 K HN 0.051 nan 8.250 nan 0.000 0.441 137 I N 0.618 121.203 120.570 0.024 0.000 2.208 137 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 137 I C 2.445 178.620 176.117 0.097 0.000 1.097 137 I CA 1.501 62.828 61.300 0.044 0.000 1.363 137 I CB -0.605 37.448 38.000 0.089 0.000 1.051 137 I HN 0.421 nan 8.210 nan 0.000 0.413 138 G N 0.407 109.321 108.800 0.190 0.000 2.440 138 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 138 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 138 G C 1.732 176.728 174.900 0.161 0.000 1.154 138 G CA 1.571 46.792 45.100 0.203 0.000 0.767 138 G HN 0.474 nan 8.290 nan 0.000 0.552 139 T N -1.441 113.149 114.554 0.060 0.000 2.951 139 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 139 T C 1.910 176.451 174.700 -0.264 0.000 1.073 139 T CA 1.593 63.634 62.100 -0.098 0.000 1.134 139 T CB -0.071 68.739 68.868 -0.096 0.000 0.884 139 T HN 0.458 nan 8.240 nan 0.000 0.479 140 E N 0.274 120.428 120.200 -0.078 0.000 2.460 140 E HA 0.235 4.585 4.350 -0.000 0.000 0.200 140 E C -0.219 176.417 176.600 0.060 0.000 1.011 140 E CA -0.178 56.192 56.400 -0.051 0.000 0.912 140 E CB 0.792 30.475 29.700 -0.028 0.000 0.953 140 E HN 0.299 nan 8.360 nan 0.000 0.494 141 V N 2.516 122.494 119.914 0.106 0.000 2.439 141 V HA 0.014 4.134 4.120 -0.000 0.000 0.282 141 V C 0.608 176.776 176.094 0.123 0.000 1.039 141 V CA -0.113 62.247 62.300 0.100 0.000 0.913 141 V CB 1.573 33.406 31.823 0.016 0.000 0.983 141 V HN 0.102 nan 8.190 nan 0.000 0.460 142 D N 2.822 123.259 120.400 0.060 0.000 2.183 142 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 142 D C 0.246 176.438 176.300 -0.179 0.000 0.962 142 D CA 1.156 55.126 54.000 -0.051 0.000 0.849 142 D CB 0.737 41.529 40.800 -0.014 0.000 0.978 142 D HN 0.337 nan 8.370 nan 0.000 0.488 143 V N 1.902 121.722 119.914 -0.156 0.000 2.483 143 V HA 0.291 4.411 4.120 -0.000 0.000 0.297 143 V C -0.348 175.606 176.094 -0.234 0.000 1.027 143 V CA -0.614 61.560 62.300 -0.210 0.000 0.855 143 V CB 2.425 34.141 31.823 -0.178 0.000 0.995 143 V HN -0.031 nan 8.190 nan 0.000 0.424 144 L N 4.972 125.971 121.223 -0.373 0.000 2.272 144 L HA 0.566 4.906 4.340 -0.000 0.000 0.289 144 L C 0.668 177.475 176.870 -0.105 0.000 1.032 144 L CA -0.214 54.414 54.840 -0.354 0.000 0.810 144 L CB 2.050 43.657 42.059 -0.753 0.000 1.205 144 L HN 0.822 nan 8.230 nan 0.000 0.422 145 T N 0.126 114.665 114.554 -0.024 0.000 2.909 145 T HA 0.554 4.904 4.350 -0.000 0.000 0.286 145 T C -0.620 174.202 174.700 0.204 0.000 1.002 145 T CA -0.456 61.668 62.100 0.040 0.000 1.074 145 T CB 1.181 70.012 68.868 -0.061 0.000 0.984 145 T HN 0.418 nan 8.240 nan 0.000 0.495 146 Y N 1.109 121.521 120.300 0.186 0.000 2.524 146 Y HA 0.596 5.146 4.550 -0.000 0.000 0.347 146 Y C 0.742 176.806 175.900 0.275 0.000 1.005 146 Y CA -1.693 56.561 58.100 0.256 0.000 1.025 146 Y CB 1.072 39.746 38.460 0.356 0.000 1.275 146 Y HN 0.625 nan 8.280 nan 0.000 0.460 147 I N 0.010 120.771 120.570 0.317 0.000 2.876 147 I HA 0.254 4.424 4.170 -0.000 0.000 0.264 147 I C 0.141 176.517 176.117 0.432 0.000 1.204 147 I CA 0.612 62.081 61.300 0.281 0.000 1.485 147 I CB 0.076 38.214 38.000 0.231 0.000 1.103 147 I HN 0.558 nan 8.210 nan 0.000 0.446 148 S N -0.767 115.242 115.700 0.515 0.000 2.565 148 S HA 0.269 4.739 4.470 -0.000 0.000 0.269 148 S C 0.147 174.960 174.600 0.354 0.000 1.153 148 S CA -0.624 57.840 58.200 0.441 0.000 0.835 148 S CB 1.907 65.299 63.200 0.321 0.000 1.122 148 S HN 0.147 nan 8.310 nan 0.000 0.462 149 Q N 0.643 120.541 119.800 0.163 0.000 2.135 149 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 149 Q C 1.634 177.608 176.000 -0.043 0.000 0.981 149 Q CA 2.406 58.216 55.803 0.013 0.000 0.856 149 Q CB -0.793 27.934 28.738 -0.018 0.000 0.902 149 Q HN 0.830 nan 8.270 nan 0.000 0.425 150 Y N 0.582 120.840 120.300 -0.070 0.000 2.081 150 Y HA -0.311 4.239 4.550 0.000 0.000 0.280 150 Y C 2.392 178.158 175.900 -0.222 0.000 1.163 150 Y CA 2.886 60.921 58.100 -0.108 0.000 1.135 150 Y CB -0.800 37.630 38.460 -0.050 0.000 0.970 150 Y HN 0.393 nan 8.280 nan 0.000 0.498 151 T N -1.191 113.292 114.554 -0.119 0.000 2.746 151 T HA -0.250 4.100 4.350 -0.000 0.000 0.267 151 T C 1.845 175.892 174.700 -1.088 0.000 1.039 151 T CA 1.422 63.208 62.100 -0.524 0.000 1.142 151 T CB -1.058 67.638 68.868 -0.286 0.000 0.866 151 T HN 0.340 nan 8.240 nan 0.000 0.444 152 L N 2.449 123.231 121.223 -0.734 0.000 2.012 152 L HA -0.002 4.338 4.340 -0.000 0.000 0.210 152 L C 3.254 179.767 176.870 -0.594 0.000 1.073 152 L CA 2.678 57.053 54.840 -0.775 0.000 0.748 152 L CB -1.301 40.198 42.059 -0.933 0.000 0.891 152 L HN 0.442 nan 8.230 nan 0.000 0.431 153 R N -0.263 119.946 120.500 -0.486 0.000 2.091 153 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 153 R C 2.386 178.468 176.300 -0.364 0.000 1.136 153 R CA 2.431 58.307 56.100 -0.372 0.000 0.959 153 R CB -2.039 28.066 30.300 -0.325 0.000 0.856 153 R HN 0.589 nan 8.270 nan 0.000 0.437 154 R N -0.196 119.998 120.500 -0.511 0.000 2.115 154 R HA 0.060 4.400 4.340 -0.000 0.000 0.230 154 R C 2.250 178.472 176.300 -0.131 0.000 1.111 154 R CA 1.599 57.468 56.100 -0.385 0.000 0.976 154 R CB -1.182 28.823 30.300 -0.492 0.000 0.870 154 R HN 0.622 nan 8.270 nan 0.000 0.445 155 F N 0.496 120.382 119.950 -0.107 0.000 2.234 155 F HA 0.082 4.609 4.527 -0.000 0.000 0.299 155 F C 1.543 177.303 175.800 -0.067 0.000 1.087 155 F CA 0.460 58.443 58.000 -0.029 0.000 1.340 155 F CB -0.608 38.463 39.000 0.119 0.000 1.031 155 F HN 0.298 nan 8.300 nan 0.000 0.500 156 K N -0.482 119.948 120.400 0.049 0.000 1.779 156 K HA -0.308 4.012 4.320 -0.000 0.000 0.128 156 K C 0.914 177.531 176.600 0.029 0.000 1.288 156 K CA 1.862 58.145 56.287 -0.008 0.000 0.398 156 K CB -1.565 30.928 32.500 -0.012 0.000 0.609 156 K HN 0.275 nan 8.250 nan 0.000 0.874 157 S N -0.026 115.694 115.700 0.033 0.000 2.561 157 S HA 0.501 4.971 4.470 -0.000 0.000 0.245 157 S C 1.145 175.782 174.600 0.061 0.000 1.001 157 S CA 0.257 58.497 58.200 0.067 0.000 1.002 157 S CB 1.092 64.319 63.200 0.045 0.000 0.805 157 S HN 0.607 nan 8.310 nan 0.000 0.458 158 A N 1.492 124.318 122.820 0.010 0.000 1.948 158 A HA 0.018 4.338 4.320 -0.000 0.000 0.220 158 A C 1.433 178.870 177.584 -0.247 0.000 1.177 158 A CA 1.326 53.258 52.037 -0.175 0.000 0.636 158 A CB -0.916 17.877 19.000 -0.346 0.000 0.815 158 A HN 0.645 nan 8.150 nan 0.000 0.449 159 F N -0.787 119.210 119.950 0.078 0.000 2.789 159 F HA 0.373 4.900 4.527 -0.000 0.000 0.300 159 F C 1.716 177.576 175.800 0.100 0.000 1.132 159 F CA 0.590 58.639 58.000 0.081 0.000 1.404 159 F CB -0.154 38.924 39.000 0.129 0.000 1.114 159 F HN 0.522 nan 8.300 nan 0.000 0.584 160 G N 0.607 109.555 108.800 0.247 0.000 2.681 160 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 160 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 160 G C 0.745 175.775 174.900 0.217 0.000 1.353 160 G CA -0.057 45.151 45.100 0.180 0.000 0.872 160 G HN 0.414 nan 8.290 nan 0.000 0.557 161 S N -1.401 114.399 115.700 0.167 0.000 2.556 161 S HA 0.111 4.581 4.470 -0.000 0.000 0.216 161 S C 1.477 176.164 174.600 0.146 0.000 0.970 161 S CA 1.123 59.414 58.200 0.153 0.000 0.912 161 S CB -0.064 63.201 63.200 0.107 0.000 0.790 161 S HN 0.965 nan 8.310 nan 0.000 0.504 162 H N 3.159 122.265 119.070 0.061 0.000 2.317 162 H HA 0.204 4.760 4.556 -0.000 0.000 0.304 162 H C -1.725 173.587 175.328 -0.026 0.000 1.067 162 H CA 0.639 56.698 56.048 0.018 0.000 1.352 162 H CB -0.942 28.825 29.762 0.008 0.000 1.398 162 H HN 0.376 nan 8.280 nan 0.000 0.510 163 P HA 0.072 nan 4.420 nan 0.000 0.277 163 P C -0.498 176.561 177.300 -0.403 0.000 1.240 163 P CA 0.022 62.874 63.100 -0.413 0.000 0.798 163 P CB 1.056 32.483 31.700 -0.455 0.000 0.979 164 T N -0.823 113.517 114.554 -0.357 0.000 2.889 164 T HA 0.489 4.839 4.350 -0.000 0.000 0.291 164 T C -0.246 174.278 174.700 -0.293 0.000 0.995 164 T CA -0.431 61.554 62.100 -0.191 0.000 1.092 164 T CB -0.083 68.715 68.868 -0.116 0.000 0.954 164 T HN 0.108 nan 8.240 nan 0.000 0.506 165 F N 1.602 121.571 119.950 0.032 0.000 2.404 165 F HA 0.424 4.951 4.527 -0.000 0.000 0.354 165 F C 0.868 176.822 175.800 0.256 0.000 1.122 165 F CA -0.796 57.296 58.000 0.153 0.000 1.080 165 F CB 1.309 40.377 39.000 0.113 0.000 1.131 165 F HN 0.478 nan 8.300 nan 0.000 0.471 166 E N 2.160 122.551 120.200 0.318 0.000 2.176 166 E HA 0.090 4.440 4.350 -0.000 0.000 0.267 166 E C -0.792 175.694 176.600 -0.190 0.000 0.893 166 E CA -0.565 55.893 56.400 0.096 0.000 0.761 166 E CB 1.593 31.258 29.700 -0.057 0.000 1.133 166 E HN 0.645 nan 8.360 nan 0.000 0.409 167 H N 3.650 122.433 119.070 -0.480 0.000 2.955 167 H HA 0.140 4.696 4.556 -0.000 0.000 0.290 167 H C -0.742 174.333 175.328 -0.422 0.000 1.047 167 H CA -0.207 55.324 56.048 -0.862 0.000 1.484 167 H CB 0.464 29.940 29.762 -0.476 0.000 1.501 167 H HN 0.134 nan 8.280 nan 0.000 0.521 168 L N 9.906 130.825 121.223 -0.505 0.000 2.502 168 L HA 0.300 4.640 4.340 -0.000 0.000 0.249 168 L C -2.460 174.389 176.870 -0.035 0.000 1.446 168 L CA -1.608 53.049 54.840 -0.305 0.000 0.887 168 L CB 1.153 43.028 42.059 -0.308 0.000 1.126 168 L HN 0.564 nan 8.230 nan 0.000 0.509 169 P HA 0.148 nan 4.420 nan 0.000 0.277 169 P C -0.172 177.413 177.300 0.474 0.000 1.271 169 P CA -0.268 62.968 63.100 0.227 0.000 0.795 169 P CB 0.957 32.774 31.700 0.195 0.000 1.101 170 S N -0.745 115.267 115.700 0.520 0.000 2.572 170 S HA 0.391 4.861 4.470 -0.000 0.000 0.279 170 S C 0.760 175.233 174.600 -0.213 0.000 1.341 170 S CA -0.104 58.271 58.200 0.292 0.000 1.043 170 S CB -0.641 62.764 63.200 0.341 0.000 0.887 170 S HN 0.606 nan 8.310 nan 0.000 0.516 171 G N 1.433 109.444 108.800 -1.316 0.000 2.543 171 G HA2 0.573 4.533 3.960 -0.000 0.000 0.290 171 G HA3 0.573 4.533 3.960 -0.000 0.000 0.290 171 G C -0.865 173.229 174.900 -1.342 0.000 1.310 171 G CA -0.452 43.703 45.100 -1.576 0.000 1.025 171 G HN 0.892 nan 8.290 nan 0.000 0.502 172 V N -0.636 118.672 119.914 -1.010 0.000 2.841 172 V HA 0.428 4.548 4.120 -0.000 0.000 0.310 172 V C -1.329 174.685 176.094 -0.133 0.000 1.090 172 V CA -0.902 61.145 62.300 -0.422 0.000 0.930 172 V CB 2.127 33.765 31.823 -0.309 0.000 1.014 172 V HN 0.725 nan 8.190 nan 0.000 0.425 173 D N 4.086 124.677 120.400 0.319 0.000 2.383 173 D HA 0.102 4.742 4.640 -0.000 0.000 0.245 173 D C 1.049 177.542 176.300 0.321 0.000 1.263 173 D CA 0.306 54.580 54.000 0.457 0.000 0.936 173 D CB 1.448 42.559 40.800 0.518 0.000 1.053 173 D HN 0.570 nan 8.370 nan 0.000 0.507 174 V N 1.733 121.764 119.914 0.195 0.000 3.510 174 V HA -0.020 4.100 4.120 -0.000 0.000 0.270 174 V C 1.751 177.923 176.094 0.129 0.000 1.201 174 V CA 0.494 62.878 62.300 0.140 0.000 1.166 174 V CB -0.355 31.514 31.823 0.077 0.000 0.825 174 V HN 0.183 nan 8.190 nan 0.000 0.484 175 K N -0.005 120.477 120.400 0.137 0.000 2.242 175 K HA 0.269 4.589 4.320 -0.000 0.000 0.200 175 K C 2.762 179.401 176.600 0.065 0.000 1.050 175 K CA 1.323 57.664 56.287 0.090 0.000 0.981 175 K CB -0.315 32.233 32.500 0.080 0.000 0.795 175 K HN 0.791 nan 8.250 nan 0.000 0.477 176 R N 0.344 120.896 120.500 0.087 0.000 2.062 176 R HA 0.235 4.575 4.340 -0.000 0.000 0.226 176 R C 0.984 177.163 176.300 -0.202 0.000 1.125 176 R CA 1.195 57.266 56.100 -0.049 0.000 0.966 176 R CB -0.916 29.377 30.300 -0.012 0.000 0.861 176 R HN 0.396 nan 8.270 nan 0.000 0.433 177 F N 1.057 121.009 119.950 0.002 0.000 2.413 177 F HA 0.508 5.035 4.527 -0.000 0.000 0.359 177 F C 0.571 176.356 175.800 -0.025 0.000 1.122 177 F CA 0.135 58.111 58.000 -0.041 0.000 1.160 177 F CB 1.782 40.750 39.000 -0.052 0.000 1.146 177 F HN 0.118 nan 8.300 nan 0.000 0.514 178 T N 4.368 118.972 114.554 0.084 0.000 2.894 178 T HA 0.446 4.796 4.350 -0.000 0.000 0.309 178 T C -2.866 171.855 174.700 0.035 0.000 1.208 178 T CA -2.085 60.047 62.100 0.054 0.000 1.016 178 T CB 1.644 70.529 68.868 0.028 0.000 1.192 178 T HN 0.058 nan 8.240 nan 0.000 0.491 179 P HA 0.372 nan 4.420 nan 0.000 0.268 179 P C -1.095 176.215 177.300 0.016 0.000 1.205 179 P CA -0.291 62.824 63.100 0.026 0.000 0.771 179 P CB 0.314 32.030 31.700 0.027 0.000 0.858 180 A N 2.766 125.595 122.820 0.015 0.000 2.425 180 A HA 0.419 4.739 4.320 -0.000 0.000 0.249 180 A C 0.699 178.289 177.584 0.010 0.000 1.084 180 A CA -0.089 51.953 52.037 0.008 0.000 0.781 180 A CB -0.527 18.479 19.000 0.011 0.000 1.019 180 A HN 0.636 nan 8.150 nan 0.000 0.490 181 T N 0.662 115.220 114.554 0.006 0.000 2.900 181 T HA 0.290 4.640 4.350 -0.000 0.000 0.307 181 T C -1.806 172.900 174.700 0.010 0.000 1.065 181 T CA -0.849 61.256 62.100 0.008 0.000 1.105 181 T CB 0.375 69.246 68.868 0.005 0.000 0.979 181 T HN 0.382 nan 8.240 nan 0.000 0.544 182 P HA -0.035 nan 4.420 nan 0.000 0.216 182 P C 1.880 179.187 177.300 0.012 0.000 1.150 182 P CA 1.945 65.052 63.100 0.013 0.000 0.843 182 P CB -0.288 31.419 31.700 0.012 0.000 0.787 183 E N 0.359 120.565 120.200 0.009 0.000 2.051 183 E HA -0.245 4.105 4.350 -0.000 0.000 0.192 183 E C 1.739 178.343 176.600 0.006 0.000 0.991 183 E CA 1.820 58.224 56.400 0.007 0.000 0.799 183 E CB -1.716 27.986 29.700 0.005 0.000 0.748 183 E HN 0.298 nan 8.360 nan 0.000 0.449 184 D N -0.189 120.214 120.400 0.004 0.000 2.144 184 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 184 D C 1.930 178.234 176.300 0.007 0.000 0.978 184 D CA 1.546 55.547 54.000 0.001 0.000 0.833 184 D CB -0.230 40.567 40.800 -0.004 0.000 0.961 184 D HN 0.516 nan 8.370 nan 0.000 0.470 185 K N 0.702 121.110 120.400 0.013 0.000 2.057 185 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 185 K C 2.123 178.741 176.600 0.030 0.000 1.049 185 K CA 1.205 57.507 56.287 0.024 0.000 0.931 185 K CB 0.069 32.585 32.500 0.026 0.000 0.714 185 K HN -0.121 nan 8.250 nan 0.000 0.440 186 S N 0.331 116.046 115.700 0.025 0.000 2.368 186 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 186 S C 1.964 176.576 174.600 0.021 0.000 1.030 186 S CA 1.178 59.394 58.200 0.027 0.000 0.999 186 S CB -0.226 62.986 63.200 0.020 0.000 0.844 186 S HN 0.539 nan 8.310 nan 0.000 0.459 187 A N 1.139 123.966 122.820 0.010 0.000 1.898 187 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 187 A C 2.316 179.896 177.584 -0.005 0.000 1.181 187 A CA 1.950 53.987 52.037 0.001 0.000 0.620 187 A CB -1.324 17.674 19.000 -0.003 0.000 0.819 187 A HN 0.469 nan 8.150 nan 0.000 0.442 188 T N -0.168 114.387 114.554 0.001 0.000 2.684 188 T HA -0.178 4.172 4.350 -0.000 0.000 0.267 188 T C 2.070 176.767 174.700 -0.005 0.000 1.036 188 T CA 1.781 63.880 62.100 -0.003 0.000 1.148 188 T CB -0.251 68.624 68.868 0.011 0.000 0.863 188 T HN 0.513 nan 8.240 nan 0.000 0.436 189 R N 0.696 121.217 120.500 0.034 0.000 2.096 189 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 189 R C 2.806 179.103 176.300 -0.005 0.000 1.127 189 R CA 1.248 57.393 56.100 0.074 0.000 0.968 189 R CB -0.235 30.149 30.300 0.140 0.000 0.861 189 R HN 0.145 nan 8.270 nan 0.000 0.440 190 K N 1.015 121.410 120.400 -0.008 0.000 2.057 190 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 190 K C 2.503 179.055 176.600 -0.080 0.000 1.049 190 K CA 1.998 58.267 56.287 -0.029 0.000 0.931 190 K CB -0.373 32.121 32.500 -0.011 0.000 0.714 190 K HN 0.409 nan 8.250 nan 0.000 0.440 191 K N 0.591 120.942 120.400 -0.082 0.000 2.209 191 K HA 0.110 4.430 4.320 -0.000 0.000 0.204 191 K C 2.232 178.726 176.600 -0.175 0.000 1.048 191 K CA 1.745 57.973 56.287 -0.099 0.000 0.940 191 K CB -0.711 31.747 32.500 -0.069 0.000 0.729 191 K HN 0.484 nan 8.250 nan 0.000 0.451 192 L N -1.340 119.714 121.223 -0.282 0.000 2.509 192 L HA 0.208 4.548 4.340 -0.000 0.000 0.222 192 L C 1.744 178.145 176.870 -0.782 0.000 1.123 192 L CA 0.651 55.156 54.840 -0.558 0.000 0.856 192 L CB 0.288 41.896 42.059 -0.752 0.000 0.985 192 L HN 0.600 nan 8.230 nan 0.000 0.456 193 G N -0.802 107.716 108.800 -0.471 0.000 2.131 193 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.223 193 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.223 193 G C -0.013 174.839 174.900 -0.081 0.000 0.990 193 G CA -0.404 44.535 45.100 -0.269 0.000 0.671 193 G HN 0.085 nan 8.290 nan 0.000 0.521 194 F N 0.828 120.778 119.950 -0.000 0.000 2.525 194 F HA 0.862 5.389 4.527 -0.000 0.000 0.346 194 F C 1.079 176.879 175.800 -0.000 0.000 1.072 194 F CA -0.700 57.299 58.000 -0.001 0.000 1.033 194 F CB 0.830 39.828 39.000 -0.003 0.000 1.324 194 F HN 0.248 nan 8.300 nan 0.000 0.491 195 T N -3.461 111.226 114.554 0.222 0.000 2.841 195 T HA 0.326 4.676 4.350 -0.000 0.000 0.276 195 T C 0.251 175.006 174.700 0.091 0.000 1.003 195 T CA -0.618 61.550 62.100 0.113 0.000 0.995 195 T CB 1.103 70.013 68.868 0.071 0.000 1.260 195 T HN 0.316 nan 8.240 nan 0.000 0.581 196 D N 0.806 121.240 120.400 0.056 0.000 2.310 196 D HA 0.004 4.644 4.640 -0.000 0.000 0.212 196 D C 1.995 178.309 176.300 0.023 0.000 0.965 196 D CA 1.670 55.694 54.000 0.040 0.000 0.879 196 D CB -0.291 40.526 40.800 0.029 0.000 0.921 196 D HN 0.822 nan 8.370 nan 0.000 0.510 197 T N -3.198 111.365 114.554 0.015 0.000 3.040 197 T HA 0.056 4.406 4.350 -0.000 0.000 0.250 197 T C 0.885 175.567 174.700 -0.030 0.000 1.058 197 T CA -0.267 61.830 62.100 -0.005 0.000 0.988 197 T CB -0.145 68.721 68.868 -0.003 0.000 0.993 197 T HN -0.201 nan 8.240 nan 0.000 0.519 198 T N 5.280 119.809 114.554 -0.041 0.000 2.867 198 T HA 0.259 4.609 4.350 -0.000 0.000 0.297 198 T C -2.653 171.958 174.700 -0.149 0.000 0.989 198 T CA -0.688 61.333 62.100 -0.132 0.000 1.159 198 T CB 0.542 69.275 68.868 -0.226 0.000 0.928 198 T HN 0.212 nan 8.240 nan 0.000 0.538 199 P HA 0.320 nan 4.420 nan 0.000 0.276 199 P C -0.985 176.203 177.300 -0.187 0.000 1.253 199 P CA -0.348 62.674 63.100 -0.130 0.000 0.766 199 P CB 0.521 32.158 31.700 -0.105 0.000 0.845 200 V N 6.012 125.846 119.914 -0.133 0.000 2.444 200 V HA 0.388 4.508 4.120 -0.000 0.000 0.294 200 V C 0.213 176.268 176.094 -0.065 0.000 1.022 200 V CA -0.479 61.744 62.300 -0.129 0.000 0.850 200 V CB 1.492 33.275 31.823 -0.067 0.000 0.992 200 V HN 0.382 nan 8.190 nan 0.000 0.426 201 I N 4.237 124.760 120.570 -0.079 0.000 2.354 201 I HA 0.744 4.914 4.170 -0.000 0.000 0.292 201 I C 0.403 176.478 176.117 -0.070 0.000 0.989 201 I CA -0.325 60.932 61.300 -0.070 0.000 1.188 201 I CB 1.725 39.669 38.000 -0.094 0.000 1.342 201 I HN 0.670 nan 8.210 nan 0.000 0.457 202 A N 5.322 128.109 122.820 -0.055 0.000 2.337 202 A HA 0.679 4.999 4.320 -0.000 0.000 0.329 202 A C -0.942 176.489 177.584 -0.256 0.000 1.146 202 A CA -0.465 51.546 52.037 -0.042 0.000 0.800 202 A CB 1.502 20.573 19.000 0.118 0.000 1.220 202 A HN 0.829 nan 8.150 nan 0.000 0.472 203 C N 3.523 122.691 119.300 -0.220 0.000 2.407 203 C HA 0.565 5.025 4.460 -0.000 0.000 0.328 203 C C -1.115 173.844 174.990 -0.051 0.000 1.137 203 C CA -1.081 57.722 59.018 -0.357 0.000 1.390 203 C CB -0.521 27.050 27.740 -0.281 0.000 1.989 203 C HN 0.803 nan 8.230 nan 0.000 0.432 204 N N 3.745 122.569 118.700 0.206 0.000 2.422 204 N HA 0.681 5.421 4.740 -0.000 0.000 0.266 204 N C -0.677 174.937 175.510 0.173 0.000 1.007 204 N CA 0.121 53.314 53.050 0.238 0.000 0.941 204 N CB 1.670 40.338 38.487 0.302 0.000 1.115 204 N HN 0.748 nan 8.380 nan 0.000 0.492 205 S N 0.362 116.121 115.700 0.098 0.000 2.683 205 S HA 0.212 4.682 4.470 -0.000 0.000 0.278 205 S C -0.694 173.948 174.600 0.070 0.000 1.059 205 S CA -0.862 57.378 58.200 0.067 0.000 0.847 205 S CB 1.478 64.700 63.200 0.036 0.000 1.078 205 S HN 0.473 nan 8.310 nan 0.000 0.456 206 R N 1.041 121.578 120.500 0.061 0.000 2.638 206 R HA 0.123 4.463 4.340 -0.000 0.000 0.268 206 R C -0.330 176.020 176.300 0.084 0.000 1.006 206 R CA 0.312 56.452 56.100 0.067 0.000 1.088 206 R CB -0.007 30.322 30.300 0.049 0.000 0.950 206 R HN 0.439 nan 8.270 nan 0.000 0.419 207 L N 4.706 125.996 121.223 0.112 0.000 2.387 207 L HA 0.190 4.530 4.340 -0.000 0.000 0.267 207 L C -0.127 176.856 176.870 0.188 0.000 1.197 207 L CA -0.469 54.475 54.840 0.173 0.000 1.070 207 L CB -0.167 42.006 42.059 0.190 0.000 1.349 207 L HN 0.367 nan 8.230 nan 0.000 0.422 208 V N 0.076 120.057 119.914 0.112 0.000 2.962 208 V HA 0.510 4.630 4.120 -0.000 0.000 0.313 208 V C -2.247 173.706 176.094 -0.235 0.000 1.099 208 V CA -1.819 60.451 62.300 -0.050 0.000 0.971 208 V CB 1.991 33.781 31.823 -0.056 0.000 1.028 208 V HN 0.112 nan 8.190 nan 0.000 0.430 209 P HA -0.135 nan 4.420 nan 0.000 0.216 209 P C 1.647 178.817 177.300 -0.217 0.000 1.150 209 P CA 1.710 64.359 63.100 -0.753 0.000 0.843 209 P CB 0.068 31.302 31.700 -0.776 0.000 0.787 210 R N 0.314 120.722 120.500 -0.154 0.000 2.117 210 R HA -0.156 4.184 4.340 -0.000 0.000 0.243 210 R C 1.693 177.985 176.300 -0.014 0.000 1.143 210 R CA 1.427 57.492 56.100 -0.057 0.000 0.968 210 R CB -0.220 30.057 30.300 -0.039 0.000 0.863 210 R HN 0.020 nan 8.270 nan 0.000 0.444 211 K N -0.878 119.519 120.400 -0.005 0.000 2.366 211 K HA 0.043 4.363 4.320 -0.000 0.000 0.198 211 K C 1.076 177.693 176.600 0.029 0.000 1.044 211 K CA 0.977 57.275 56.287 0.019 0.000 0.973 211 K CB 0.168 32.681 32.500 0.022 0.000 0.767 211 K HN 0.486 nan 8.250 nan 0.000 0.475 212 G N 1.917 110.742 108.800 0.042 0.000 2.147 212 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.244 212 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.244 212 G C 0.672 175.600 174.900 0.047 0.000 1.005 212 G CA 0.695 45.824 45.100 0.048 0.000 0.713 212 G HN 0.320 nan 8.290 nan 0.000 0.515 213 Q N 0.423 120.267 119.800 0.074 0.000 2.124 213 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 213 Q C 2.320 178.369 176.000 0.082 0.000 0.977 213 Q CA 2.132 57.971 55.803 0.061 0.000 0.850 213 Q CB -0.168 28.630 28.738 0.100 0.000 0.901 213 Q HN 0.767 nan 8.270 nan 0.000 0.429 214 D N -0.457 120.037 120.400 0.156 0.000 2.117 214 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 214 D C 1.533 177.880 176.300 0.078 0.000 0.987 214 D CA 1.606 55.689 54.000 0.139 0.000 0.829 214 D CB -0.635 40.314 40.800 0.248 0.000 0.961 214 D HN 0.048 nan 8.370 nan 0.000 0.460 215 S N 0.131 115.870 115.700 0.066 0.000 2.368 215 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 215 S C 1.832 176.438 174.600 0.011 0.000 1.030 215 S CA 0.528 58.748 58.200 0.034 0.000 0.999 215 S CB -0.307 62.909 63.200 0.027 0.000 0.844 215 S HN 0.119 nan 8.310 nan 0.000 0.459 216 L N 1.590 122.811 121.223 -0.003 0.000 2.017 216 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 216 L C 2.127 178.980 176.870 -0.029 0.000 1.073 216 L CA 1.438 56.259 54.840 -0.031 0.000 0.745 216 L CB -1.074 40.948 42.059 -0.060 0.000 0.894 216 L HN 0.303 nan 8.230 nan 0.000 0.432 217 I N -0.854 119.707 120.570 -0.016 0.000 2.264 217 I HA -0.343 3.827 4.170 -0.000 0.000 0.248 217 I C 2.275 178.392 176.117 0.000 0.000 1.111 217 I CA 1.261 62.556 61.300 -0.010 0.000 1.382 217 I CB -0.260 37.752 38.000 0.020 0.000 1.060 217 I HN 0.242 nan 8.210 nan 0.000 0.418 218 K N 0.564 120.970 120.400 0.009 0.000 2.217 218 K HA -0.020 4.300 4.320 -0.000 0.000 0.202 218 K C 2.077 178.678 176.600 0.000 0.000 1.051 218 K CA 1.108 57.400 56.287 0.010 0.000 0.952 218 K CB -0.100 32.411 32.500 0.019 0.000 0.736 218 K HN 0.299 nan 8.250 nan 0.000 0.453 219 A N 0.685 123.501 122.820 -0.007 0.000 2.067 219 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 219 A C 1.926 179.498 177.584 -0.020 0.000 1.156 219 A CA 0.710 52.739 52.037 -0.014 0.000 0.683 219 A CB -0.191 18.798 19.000 -0.019 0.000 0.808 219 A HN 0.087 nan 8.150 nan 0.000 0.455 220 M N -0.244 119.342 119.600 -0.023 0.000 2.108 220 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 220 M C -0.463 175.823 176.300 -0.023 0.000 1.066 220 M CA 1.540 56.822 55.300 -0.030 0.000 1.107 220 M CB -2.336 30.243 32.600 -0.035 0.000 1.356 220 M HN 0.117 nan 8.290 nan 0.000 0.406 221 P HA -0.179 nan 4.420 nan 0.000 0.216 221 P C 1.574 178.866 177.300 -0.013 0.000 1.153 221 P CA 1.411 64.504 63.100 -0.011 0.000 0.858 221 P CB -0.171 31.526 31.700 -0.006 0.000 0.789 222 Q N -0.941 118.851 119.800 -0.014 0.000 2.079 222 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 222 Q C 2.111 178.100 176.000 -0.019 0.000 0.974 222 Q CA 1.298 57.093 55.803 -0.014 0.000 0.840 222 Q CB -0.699 28.031 28.738 -0.012 0.000 0.898 222 Q HN 0.083 nan 8.270 nan 0.000 0.430 223 V N 1.819 121.718 119.914 -0.025 0.000 2.295 223 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 223 V C 2.250 178.324 176.094 -0.034 0.000 1.049 223 V CA 2.013 64.294 62.300 -0.031 0.000 1.024 223 V CB -0.789 31.010 31.823 -0.040 0.000 0.648 223 V HN 0.519 nan 8.190 nan 0.000 0.447 224 I N -0.478 120.073 120.570 -0.033 0.000 2.676 224 I HA -0.019 4.151 4.170 -0.000 0.000 0.259 224 I C 2.373 178.475 176.117 -0.025 0.000 1.194 224 I CA 1.520 62.800 61.300 -0.033 0.000 1.473 224 I CB -0.659 37.322 38.000 -0.033 0.000 1.096 224 I HN 0.141 nan 8.210 nan 0.000 0.443 225 A N 1.626 124.434 122.820 -0.020 0.000 1.940 225 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 225 A C 2.527 180.101 177.584 -0.017 0.000 1.176 225 A CA 1.972 53.999 52.037 -0.016 0.000 0.631 225 A CB -0.796 18.196 19.000 -0.013 0.000 0.814 225 A HN 0.622 nan 8.150 nan 0.000 0.446 226 A N -1.506 121.302 122.820 -0.020 0.000 1.903 226 A HA 0.149 4.469 4.320 -0.000 0.000 0.213 226 A C 1.233 178.803 177.584 -0.024 0.000 1.185 226 A CA 0.483 52.508 52.037 -0.020 0.000 0.628 226 A CB 0.123 19.111 19.000 -0.020 0.000 0.830 226 A HN 0.244 nan 8.150 nan 0.000 0.446 227 R N -0.696 119.786 120.500 -0.030 0.000 2.513 227 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 227 R C -2.649 173.626 176.300 -0.042 0.000 1.535 227 R CA -1.980 54.097 56.100 -0.037 0.000 1.315 227 R CB 0.386 30.659 30.300 -0.045 0.000 1.163 227 R HN 0.160 nan 8.270 nan 0.000 0.573 228 P HA -0.171 nan 4.420 nan 0.000 0.218 228 P C 0.629 177.903 177.300 -0.043 0.000 1.146 228 P CA 1.306 64.387 63.100 -0.032 0.000 0.813 228 P CB 0.312 31.999 31.700 -0.022 0.000 0.778 229 D N -1.399 118.967 120.400 -0.056 0.000 2.339 229 D HA 0.096 4.736 4.640 -0.000 0.000 0.217 229 D C 0.490 176.710 176.300 -0.134 0.000 1.050 229 D CA -0.241 53.711 54.000 -0.080 0.000 0.856 229 D CB -0.844 39.913 40.800 -0.071 0.000 0.922 229 D HN -0.006 nan 8.370 nan 0.000 0.518 230 A N 0.555 123.305 122.820 -0.117 0.000 2.540 230 A HA 0.193 4.513 4.320 -0.000 0.000 0.239 230 A C 0.259 177.738 177.584 -0.175 0.000 1.061 230 A CA 0.146 52.098 52.037 -0.142 0.000 0.758 230 A CB 0.267 19.208 19.000 -0.098 0.000 0.991 230 A HN 0.134 nan 8.150 nan 0.000 0.502 231 Q N 0.988 120.643 119.800 -0.242 0.000 2.330 231 Q HA 0.429 4.769 4.340 -0.000 0.000 0.269 231 Q C -1.491 174.407 176.000 -0.171 0.000 1.022 231 Q CA -0.722 54.926 55.803 -0.257 0.000 0.796 231 Q CB 2.028 30.428 28.738 -0.563 0.000 1.271 231 Q HN 0.656 nan 8.270 nan 0.000 0.450 232 L N 3.932 125.079 121.223 -0.125 0.000 2.272 232 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 232 L C -1.306 175.490 176.870 -0.123 0.000 1.032 232 L CA -0.143 54.622 54.840 -0.125 0.000 0.810 232 L CB 0.665 42.639 42.059 -0.140 0.000 1.205 232 L HN 0.510 nan 8.230 nan 0.000 0.422 233 L N 6.915 128.083 121.223 -0.091 0.000 2.280 233 L HA 0.476 4.816 4.340 -0.000 0.000 0.287 233 L C -0.497 176.299 176.870 -0.123 0.000 1.023 233 L CA -0.395 54.404 54.840 -0.067 0.000 0.819 233 L CB 1.309 43.389 42.059 0.034 0.000 1.212 233 L HN 0.558 nan 8.230 nan 0.000 0.420 234 I N 4.387 124.835 120.570 -0.203 0.000 2.330 234 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 234 I C -0.419 175.678 176.117 -0.034 0.000 1.025 234 I CA -0.485 60.708 61.300 -0.178 0.000 1.197 234 I CB 1.596 39.362 38.000 -0.389 0.000 1.358 234 I HN 0.247 nan 8.210 nan 0.000 0.467 235 V N 6.015 125.941 119.914 0.020 0.000 2.370 235 V HA 0.936 5.056 4.120 -0.000 0.000 0.283 235 V C 0.472 176.620 176.094 0.089 0.000 1.023 235 V CA -0.298 62.043 62.300 0.068 0.000 0.857 235 V CB 0.883 32.754 31.823 0.080 0.000 0.985 235 V HN 1.014 nan 8.190 nan 0.000 0.443 236 G N 3.742 112.603 108.800 0.102 0.000 2.361 236 G HA2 0.415 4.375 3.960 -0.000 0.000 0.331 236 G HA3 0.415 4.375 3.960 -0.000 0.000 0.331 236 G C -0.783 174.183 174.900 0.110 0.000 1.324 236 G CA -0.172 44.989 45.100 0.102 0.000 0.984 236 G HN 1.253 nan 8.290 nan 0.000 0.586 237 S N -1.310 114.446 115.700 0.094 0.000 2.627 237 S HA 1.079 5.549 4.470 -0.000 0.000 0.283 237 S C 0.110 174.758 174.600 0.081 0.000 1.127 237 S CA 0.366 58.617 58.200 0.084 0.000 0.863 237 S CB 2.025 65.263 63.200 0.064 0.000 1.121 237 S HN 2.855 nan 8.310 nan 0.000 0.479 238 G N 0.592 109.437 108.800 0.076 0.000 2.336 238 G HA2 0.281 4.241 3.960 -0.000 0.000 0.300 238 G HA3 0.281 4.241 3.960 -0.000 0.000 0.300 238 G C 0.008 174.960 174.900 0.086 0.000 1.375 238 G CA -0.258 44.890 45.100 0.079 0.000 0.885 238 G HN 0.913 nan 8.290 nan 0.000 0.599 239 R N -1.217 119.338 120.500 0.091 0.000 2.193 239 R HA -0.063 4.277 4.340 -0.000 0.000 0.229 239 R C 1.364 177.759 176.300 0.158 0.000 1.110 239 R CA 1.530 57.688 56.100 0.096 0.000 0.988 239 R CB -0.160 30.187 30.300 0.079 0.000 0.871 239 R HN 0.410 nan 8.270 nan 0.000 0.458 240 Y N 2.203 122.513 120.300 0.016 0.000 2.490 240 Y HA 0.102 4.652 4.550 0.000 0.000 0.281 240 Y C 1.996 177.904 175.900 0.013 0.000 1.174 240 Y CA -0.474 57.638 58.100 0.019 0.000 1.295 240 Y CB 0.007 38.487 38.460 0.034 0.000 1.062 240 Y HN 0.226 nan 8.280 nan 0.000 0.522 241 E N -0.298 119.918 120.200 0.027 0.000 2.070 241 E HA -0.255 4.095 4.350 -0.000 0.000 0.197 241 E C 2.282 178.746 176.600 -0.227 0.000 1.004 241 E CA 2.045 58.394 56.400 -0.085 0.000 0.805 241 E CB -0.066 29.592 29.700 -0.070 0.000 0.744 241 E HN 0.473 nan 8.360 nan 0.000 0.451 242 S N -0.675 114.920 115.700 -0.176 0.000 2.402 242 S HA -0.128 4.342 4.470 -0.000 0.000 0.229 242 S C 2.031 176.501 174.600 -0.217 0.000 1.021 242 S CA 1.572 59.659 58.200 -0.188 0.000 0.974 242 S CB -0.556 62.576 63.200 -0.113 0.000 0.800 242 S HN 0.252 nan 8.310 nan 0.000 0.484 243 T N 3.143 117.525 114.554 -0.286 0.000 2.737 243 T HA 0.140 4.490 4.350 -0.000 0.000 0.265 243 T C 1.754 176.237 174.700 -0.361 0.000 1.038 243 T CA 1.435 63.311 62.100 -0.373 0.000 1.144 243 T CB -0.524 67.960 68.868 -0.640 0.000 0.866 243 T HN 0.327 nan 8.240 nan 0.000 0.434 244 L N 0.495 121.481 121.223 -0.396 0.000 2.012 244 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 244 L C 2.930 179.807 176.870 0.011 0.000 1.073 244 L CA 1.471 56.243 54.840 -0.114 0.000 0.748 244 L CB -0.564 41.560 42.059 0.108 0.000 0.891 244 L HN 0.165 nan 8.230 nan 0.000 0.431 245 R N -0.352 119.991 120.500 -0.261 0.000 2.096 245 R HA -0.182 4.158 4.340 -0.000 0.000 0.235 245 R C 2.435 178.671 176.300 -0.106 0.000 1.127 245 R CA 1.347 57.258 56.100 -0.316 0.000 0.968 245 R CB -0.365 29.631 30.300 -0.506 0.000 0.861 245 R HN 0.323 nan 8.270 nan 0.000 0.440 246 R N 0.705 121.135 120.500 -0.116 0.000 2.073 246 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 246 R C 1.971 178.252 176.300 -0.031 0.000 1.134 246 R CA 1.282 57.340 56.100 -0.070 0.000 0.952 246 R CB -0.189 30.063 30.300 -0.081 0.000 0.850 246 R HN 0.061 nan 8.270 nan 0.000 0.433 247 L N 0.720 121.924 121.223 -0.032 0.000 2.127 247 L HA -0.082 4.258 4.340 -0.000 0.000 0.211 247 L C 2.217 179.110 176.870 0.037 0.000 1.089 247 L CA 1.922 56.762 54.840 0.001 0.000 0.757 247 L CB -0.864 41.192 42.059 -0.006 0.000 0.899 247 L HN 0.315 nan 8.230 nan 0.000 0.434 248 A N -2.266 120.604 122.820 0.082 0.000 2.238 248 A HA -0.016 4.304 4.320 -0.000 0.000 0.208 248 A C 2.143 179.775 177.584 0.081 0.000 1.177 248 A CA 1.008 53.116 52.037 0.118 0.000 0.804 248 A CB -0.655 18.515 19.000 0.283 0.000 0.823 248 A HN 0.392 nan 8.150 nan 0.000 0.482 249 T N 0.922 115.504 114.554 0.047 0.000 2.624 249 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 249 T C 1.166 175.883 174.700 0.028 0.000 1.041 249 T CA 1.903 64.021 62.100 0.030 0.000 1.159 249 T CB -0.334 68.540 68.868 0.009 0.000 0.863 249 T HN 0.496 nan 8.240 nan 0.000 0.434 250 D N 0.847 121.260 120.400 0.022 0.000 2.349 250 D HA 0.051 4.691 4.640 -0.000 0.000 0.224 250 D C 1.284 177.594 176.300 0.017 0.000 1.029 250 D CA 0.397 54.407 54.000 0.016 0.000 0.879 250 D CB 0.211 41.017 40.800 0.011 0.000 0.906 250 D HN 0.464 nan 8.370 nan 0.000 0.528 251 V N -1.733 118.195 119.914 0.024 0.000 2.991 251 V HA 0.170 4.290 4.120 -0.000 0.000 0.355 251 V C 1.663 177.775 176.094 0.030 0.000 1.384 251 V CA 0.033 62.343 62.300 0.018 0.000 1.171 251 V CB 0.112 31.938 31.823 0.005 0.000 1.190 251 V HN -0.044 nan 8.190 nan 0.000 0.540 252 S N -0.142 115.586 115.700 0.047 0.000 2.423 252 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 252 S C 1.887 176.525 174.600 0.063 0.000 1.014 252 S CA 1.810 60.054 58.200 0.073 0.000 0.965 252 S CB -0.340 62.904 63.200 0.075 0.000 0.785 252 S HN 1.124 nan 8.310 nan 0.000 0.495 253 Q N 1.166 120.992 119.800 0.044 0.000 2.436 253 Q HA 0.169 4.509 4.340 -0.000 0.000 0.209 253 Q C 1.413 177.436 176.000 0.039 0.000 0.965 253 Q CA 1.426 57.256 55.803 0.045 0.000 0.910 253 Q CB -1.063 27.695 28.738 0.033 0.000 0.980 253 Q HN 0.894 nan 8.270 nan 0.000 0.491 254 N N -1.461 117.248 118.700 0.015 0.000 2.187 254 N HA 0.324 5.064 4.740 -0.000 0.000 0.212 254 N C -1.024 174.463 175.510 -0.037 0.000 1.152 254 N CA 0.120 53.160 53.050 -0.018 0.000 0.872 254 N CB 1.940 40.406 38.487 -0.036 0.000 1.025 254 N HN 0.249 nan 8.380 nan 0.000 0.514 255 V N 1.262 121.162 119.914 -0.023 0.000 2.525 255 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 255 V C -0.789 175.253 176.094 -0.085 0.000 1.034 255 V CA -0.887 61.352 62.300 -0.100 0.000 0.863 255 V CB 1.946 33.693 31.823 -0.127 0.000 0.999 255 V HN -0.045 nan 8.190 nan 0.000 0.423 256 K N 4.390 124.710 120.400 -0.132 0.000 2.274 256 K HA 0.561 4.881 4.320 -0.000 0.000 0.262 256 K C -1.182 175.296 176.600 -0.203 0.000 0.961 256 K CA -0.325 55.932 56.287 -0.049 0.000 0.833 256 K CB 2.059 34.599 32.500 0.066 0.000 1.102 256 K HN 0.467 nan 8.250 nan 0.000 0.436 257 F N 3.358 123.326 119.950 0.031 0.000 2.335 257 F HA 0.223 4.750 4.527 0.000 0.000 0.365 257 F C 1.414 177.228 175.800 0.023 0.000 1.122 257 F CA -0.416 57.597 58.000 0.023 0.000 1.151 257 F CB 0.478 39.485 39.000 0.012 0.000 1.282 257 F HN 0.312 nan 8.300 nan 0.000 0.513 258 L N 3.021 124.325 121.223 0.134 0.000 2.591 258 L HA 0.285 4.625 4.340 -0.000 0.000 0.228 258 L C 1.436 178.362 176.870 0.095 0.000 1.133 258 L CA 0.269 55.163 54.840 0.090 0.000 0.880 258 L CB -0.903 41.189 42.059 0.054 0.000 1.033 258 L HN 0.880 nan 8.230 nan 0.000 0.450 259 G N 0.974 109.851 108.800 0.128 0.000 2.698 259 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.233 259 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.233 259 G C -0.194 174.760 174.900 0.089 0.000 1.352 259 G CA -0.454 44.708 45.100 0.104 0.000 0.879 259 G HN 0.278 nan 8.290 nan 0.000 0.567 260 R N -0.240 120.305 120.500 0.075 0.000 2.296 260 R HA 0.459 4.799 4.340 -0.000 0.000 0.323 260 R C 0.517 176.857 176.300 0.067 0.000 1.067 260 R CA -0.322 55.822 56.100 0.073 0.000 0.946 260 R CB -0.134 30.206 30.300 0.066 0.000 0.991 260 R HN 0.429 nan 8.270 nan 0.000 0.448 261 L N 3.322 124.588 121.223 0.072 0.000 2.379 261 L HA 0.271 4.611 4.340 -0.000 0.000 0.269 261 L C 0.584 177.499 176.870 0.074 0.000 1.084 261 L CA -0.610 54.267 54.840 0.061 0.000 0.802 261 L CB 1.373 43.462 42.059 0.051 0.000 1.175 261 L HN 0.543 nan 8.230 nan 0.000 0.448 262 E N 0.396 120.634 120.200 0.063 0.000 2.415 262 E HA -0.119 4.231 4.350 -0.000 0.000 0.262 262 E C 0.105 176.770 176.600 0.110 0.000 1.038 262 E CA 0.116 56.566 56.400 0.084 0.000 0.921 262 E CB 0.654 30.389 29.700 0.058 0.000 0.950 262 E HN 0.421 nan 8.360 nan 0.000 0.438 263 Y N 2.485 122.784 120.300 -0.002 0.000 2.040 263 Y HA -0.374 4.176 4.550 -0.000 0.000 0.275 263 Y C 2.491 178.356 175.900 -0.058 0.000 1.171 263 Y CA 2.624 60.714 58.100 -0.016 0.000 1.123 263 Y CB -0.204 38.241 38.460 -0.025 0.000 0.963 263 Y HN 0.522 nan 8.280 nan 0.000 0.493 264 Q N 0.244 119.999 119.800 -0.075 0.000 2.124 264 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 264 Q C 1.875 177.791 176.000 -0.140 0.000 0.977 264 Q CA 2.012 57.706 55.803 -0.182 0.000 0.850 264 Q CB -0.647 28.049 28.738 -0.070 0.000 0.901 264 Q HN 0.519 nan 8.270 nan 0.000 0.429 265 D N -0.981 119.382 120.400 -0.062 0.000 2.144 265 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 265 D C 1.669 177.945 176.300 -0.039 0.000 0.984 265 D CA 0.994 54.971 54.000 -0.038 0.000 0.834 265 D CB -0.095 40.701 40.800 -0.007 0.000 0.955 265 D HN 0.295 nan 8.370 nan 0.000 0.465 266 M N 0.094 119.667 119.600 -0.045 0.000 2.132 266 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 266 M C 2.032 178.303 176.300 -0.048 0.000 1.065 266 M CA 1.051 56.340 55.300 -0.017 0.000 1.122 266 M CB -0.376 32.236 32.600 0.019 0.000 1.365 266 M HN 0.037 nan 8.290 nan 0.000 0.411 267 I N 0.805 121.266 120.570 -0.182 0.000 2.179 267 I HA -0.345 3.825 4.170 -0.000 0.000 0.242 267 I C 1.896 177.956 176.117 -0.096 0.000 1.088 267 I CA 1.115 62.290 61.300 -0.209 0.000 1.357 267 I CB -0.790 36.901 38.000 -0.516 0.000 1.051 267 I HN 0.321 nan 8.210 nan 0.000 0.409 268 N N 0.519 119.164 118.700 -0.093 0.000 2.104 268 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 268 N C 1.854 177.363 175.510 -0.003 0.000 1.024 268 N CA 1.860 54.883 53.050 -0.045 0.000 0.853 268 N CB -0.756 37.705 38.487 -0.043 0.000 1.008 268 N HN 0.306 nan 8.380 nan 0.000 0.424 269 T N 1.756 116.315 114.554 0.008 0.000 2.708 269 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 269 T C 1.962 176.706 174.700 0.074 0.000 1.037 269 T CA 0.700 62.826 62.100 0.044 0.000 1.146 269 T CB -0.433 68.463 68.868 0.047 0.000 0.865 269 T HN 0.109 nan 8.240 nan 0.000 0.435 270 L N 1.760 123.031 121.223 0.080 0.000 2.012 270 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 270 L C 2.542 179.467 176.870 0.091 0.000 1.073 270 L CA 2.094 57.004 54.840 0.116 0.000 0.748 270 L CB -1.109 41.017 42.059 0.111 0.000 0.891 270 L HN 0.227 nan 8.230 nan 0.000 0.431 271 A N -0.842 122.012 122.820 0.057 0.000 2.067 271 A HA 0.101 4.421 4.320 -0.000 0.000 0.219 271 A C 2.264 179.877 177.584 0.048 0.000 1.158 271 A CA 1.313 53.377 52.037 0.046 0.000 0.661 271 A CB -0.915 18.098 19.000 0.021 0.000 0.801 271 A HN 0.588 nan 8.150 nan 0.000 0.452 272 A N -0.824 122.028 122.820 0.054 0.000 2.218 272 A HA 0.616 4.936 4.320 -0.000 0.000 0.209 272 A C 1.288 178.915 177.584 0.071 0.000 1.168 272 A CA 0.652 52.725 52.037 0.060 0.000 0.804 272 A CB -0.591 18.448 19.000 0.064 0.000 0.834 272 A HN 0.825 nan 8.150 nan 0.000 0.482 273 A N -0.091 122.777 122.820 0.080 0.000 2.351 273 A HA 0.394 4.714 4.320 -0.000 0.000 0.257 273 A C 0.589 178.208 177.584 0.057 0.000 1.087 273 A CA -0.050 52.032 52.037 0.075 0.000 0.798 273 A CB 0.304 19.365 19.000 0.101 0.000 1.033 273 A HN 0.329 nan 8.150 nan 0.000 0.488 274 D N 0.157 120.577 120.400 0.033 0.000 2.162 274 D HA 0.083 4.723 4.640 -0.000 0.000 0.203 274 D C 0.144 176.466 176.300 0.037 0.000 0.967 274 D CA 1.532 55.546 54.000 0.023 0.000 0.840 274 D CB 0.156 40.954 40.800 -0.003 0.000 0.972 274 D HN 0.515 nan 8.370 nan 0.000 0.482 275 I N -0.007 120.588 120.570 0.043 0.000 2.619 275 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 275 I C -1.036 175.144 176.117 0.106 0.000 1.100 275 I CA -1.012 60.325 61.300 0.062 0.000 1.043 275 I CB 2.753 40.762 38.000 0.016 0.000 1.239 275 I HN -0.255 nan 8.210 nan 0.000 0.420 276 F N 5.831 125.792 119.950 0.018 0.000 2.411 276 F HA 0.746 5.273 4.527 -0.000 0.000 0.350 276 F C -0.043 175.785 175.800 0.046 0.000 1.114 276 F CA -0.256 57.762 58.000 0.030 0.000 1.135 276 F CB 0.986 40.010 39.000 0.039 0.000 1.120 276 F HN 0.478 nan 8.300 nan 0.000 0.495 277 A N 8.424 130.858 122.820 -0.642 0.000 2.353 277 A HA 0.666 4.986 4.320 -0.000 0.000 0.299 277 A C -1.152 176.129 177.584 -0.505 0.000 1.089 277 A CA -0.661 51.154 52.037 -0.371 0.000 0.736 277 A CB 1.213 20.098 19.000 -0.192 0.000 1.195 277 A HN 0.748 nan 8.150 nan 0.000 0.447 278 M N 5.416 124.909 119.600 -0.178 0.000 2.037 278 M HA 0.316 4.796 4.480 -0.000 0.000 0.255 278 M C -2.884 173.495 176.300 0.132 0.000 0.914 278 M CA -1.724 53.545 55.300 -0.053 0.000 0.986 278 M CB 2.122 34.690 32.600 -0.053 0.000 1.947 278 M HN 0.369 nan 8.290 nan 0.000 0.419 279 P HA 0.225 nan 4.420 nan 0.000 0.220 279 P C -0.139 177.198 177.300 0.060 0.000 1.806 279 P CA -0.040 63.092 63.100 0.053 0.000 0.976 279 P CB -0.527 31.182 31.700 0.014 0.000 1.952 280 A N 3.551 126.435 122.820 0.107 0.000 2.566 280 A HA 0.142 4.462 4.320 -0.000 0.000 0.245 280 A C 0.825 178.432 177.584 0.039 0.000 1.056 280 A CA 0.130 52.214 52.037 0.078 0.000 0.757 280 A CB -0.221 18.851 19.000 0.120 0.000 0.979 280 A HN 0.545 nan 8.150 nan 0.000 0.508 281 R N 1.408 121.922 120.500 0.023 0.000 2.778 281 R HA 0.676 5.016 4.340 -0.000 0.000 0.277 281 R C -0.931 175.376 176.300 0.011 0.000 0.977 281 R CA -0.581 55.528 56.100 0.014 0.000 0.950 281 R CB 1.037 31.348 30.300 0.018 0.000 1.165 281 R HN 0.383 nan 8.270 nan 0.000 0.474 282 T N 2.360 116.922 114.554 0.014 0.000 2.780 282 T HA 0.358 4.708 4.350 -0.000 0.000 0.294 282 T C -0.164 174.565 174.700 0.048 0.000 0.949 282 T CA -0.321 61.797 62.100 0.030 0.000 1.074 282 T CB 0.620 69.513 68.868 0.041 0.000 0.910 282 T HN 0.470 nan 8.240 nan 0.000 0.501 283 R N 0.809 121.343 120.500 0.056 0.000 3.080 283 R HA 0.659 4.999 4.340 -0.000 0.000 0.248 283 R C 0.683 177.042 176.300 0.098 0.000 1.324 283 R CA -0.852 55.285 56.100 0.061 0.000 1.036 283 R CB 0.640 30.955 30.300 0.024 0.000 1.360 283 R HN 0.765 nan 8.270 nan 0.000 0.479 284 G N 0.016 108.878 108.800 0.103 0.000 2.356 284 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.296 284 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.296 284 G C 0.751 175.831 174.900 0.300 0.000 1.022 284 G CA 1.099 46.294 45.100 0.159 0.000 0.961 284 G HN 1.185 nan 8.290 nan 0.000 0.510 285 G N -1.476 107.489 108.800 0.274 0.000 2.203 285 G HA2 0.235 4.195 3.960 -0.000 0.000 0.263 285 G HA3 0.235 4.195 3.960 -0.000 0.000 0.263 285 G C 1.876 177.051 174.900 0.460 0.000 1.012 285 G CA 0.916 46.230 45.100 0.357 0.000 0.749 285 G HN 2.722 nan 8.290 nan 0.000 0.512 286 G N -2.496 106.479 108.800 0.292 0.000 2.195 286 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.224 286 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.224 286 G C 0.893 175.904 174.900 0.186 0.000 0.990 286 G CA 0.622 45.868 45.100 0.242 0.000 0.639 286 G HN 1.063 nan 8.290 nan 0.000 0.514 287 L N 1.160 122.467 121.223 0.140 0.000 2.477 287 L HA 0.355 4.695 4.340 -0.000 0.000 0.220 287 L C 0.368 177.291 176.870 0.088 0.000 1.106 287 L CA 0.553 55.406 54.840 0.022 0.000 0.851 287 L CB 0.103 42.029 42.059 -0.222 0.000 0.994 287 L HN 0.131 nan 8.230 nan 0.000 0.462 288 D N 0.699 121.151 120.400 0.088 0.000 2.479 288 D HA 0.371 5.011 4.640 -0.000 0.000 0.218 288 D C -0.254 176.093 176.300 0.078 0.000 1.131 288 D CA 0.204 54.247 54.000 0.072 0.000 0.916 288 D CB 0.905 41.726 40.800 0.035 0.000 1.022 288 D HN -0.076 nan 8.370 nan 0.000 0.515 289 V N -0.645 119.335 119.914 0.111 0.000 2.914 289 V HA 0.533 4.653 4.120 -0.000 0.000 0.314 289 V C 0.069 176.189 176.094 0.043 0.000 1.084 289 V CA -1.298 61.030 62.300 0.046 0.000 0.963 289 V CB 2.303 34.142 31.823 0.027 0.000 1.025 289 V HN 0.019 nan 8.190 nan 0.000 0.432 290 E N 1.992 122.179 120.200 -0.022 0.000 2.324 290 E HA 0.527 4.877 4.350 -0.000 0.000 0.271 290 E C 0.688 177.289 176.600 0.002 0.000 1.028 290 E CA 1.038 57.444 56.400 0.010 0.000 0.890 290 E CB 1.140 30.859 29.700 0.032 0.000 1.004 290 E HN 0.910 nan 8.360 nan 0.000 0.431 291 G N 3.824 112.664 108.800 0.068 0.000 2.548 291 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.221 291 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.221 291 G C 0.998 175.968 174.900 0.117 0.000 1.796 291 G CA -0.006 45.150 45.100 0.093 0.000 0.889 291 G HN 0.530 nan 8.290 nan 0.000 0.599 292 L N 0.902 122.201 121.223 0.127 0.000 2.217 292 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 292 L C 2.101 179.024 176.870 0.088 0.000 1.107 292 L CA 0.674 55.599 54.840 0.143 0.000 0.783 292 L CB -0.474 41.685 42.059 0.166 0.000 0.919 292 L HN 0.543 nan 8.230 nan 0.000 0.442 293 G N 0.360 109.193 108.800 0.055 0.000 2.305 293 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.287 293 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.287 293 G C 0.770 175.594 174.900 -0.127 0.000 1.036 293 G CA 0.517 45.631 45.100 0.023 0.000 0.887 293 G HN 0.396 nan 8.290 nan 0.000 0.505 294 I N -0.070 120.412 120.570 -0.146 0.000 2.286 294 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 294 I C 2.885 178.797 176.117 -0.342 0.000 1.115 294 I CA 1.700 62.877 61.300 -0.205 0.000 1.392 294 I CB -0.417 37.525 38.000 -0.097 0.000 1.065 294 I HN 0.408 nan 8.210 nan 0.000 0.418 295 V N -1.368 118.316 119.914 -0.383 0.000 2.469 295 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 295 V C 2.295 177.956 176.094 -0.722 0.000 1.064 295 V CA 1.566 63.561 62.300 -0.509 0.000 1.066 295 V CB -1.438 30.213 31.823 -0.286 0.000 0.667 295 V HN 0.274 nan 8.190 nan 0.000 0.461 296 Y N 0.804 120.887 120.300 -0.361 0.000 2.293 296 Y HA 0.086 4.636 4.550 -0.000 0.000 0.291 296 Y C 2.355 177.993 175.900 -0.436 0.000 1.137 296 Y CA 1.197 59.086 58.100 -0.352 0.000 1.202 296 Y CB -0.778 37.566 38.460 -0.194 0.000 0.990 296 Y HN 0.215 nan 8.280 nan 0.000 0.537 297 L N -0.429 120.580 121.223 -0.357 0.000 2.072 297 L HA -0.138 4.202 4.340 -0.000 0.000 0.205 297 L C 2.181 178.785 176.870 -0.444 0.000 1.079 297 L CA 1.257 55.820 54.840 -0.461 0.000 0.752 297 L CB -0.533 41.197 42.059 -0.549 0.000 0.906 297 L HN 0.193 nan 8.230 nan 0.000 0.436 298 E N 0.568 120.416 120.200 -0.587 0.000 2.077 298 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 298 E C 2.321 178.666 176.600 -0.425 0.000 0.989 298 E CA 1.229 57.170 56.400 -0.764 0.000 0.800 298 E CB -0.194 28.866 29.700 -1.068 0.000 0.746 298 E HN 0.498 nan 8.360 nan 0.000 0.452 299 A N 1.327 123.852 122.820 -0.491 0.000 1.877 299 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 299 A C 2.091 179.581 177.584 -0.157 0.000 1.186 299 A CA 1.488 53.306 52.037 -0.367 0.000 0.620 299 A CB -0.496 18.150 19.000 -0.590 0.000 0.822 299 A HN 0.167 nan 8.150 nan 0.000 0.443 300 Q N -0.652 119.056 119.800 -0.153 0.000 2.084 300 Q HA -0.114 4.226 4.340 -0.000 0.000 0.202 300 Q C 2.370 178.347 176.000 -0.038 0.000 0.978 300 Q CA 1.374 57.138 55.803 -0.065 0.000 0.844 300 Q CB -0.414 28.292 28.738 -0.054 0.000 0.898 300 Q HN 0.686 nan 8.270 nan 0.000 0.426 301 A N 0.059 122.837 122.820 -0.070 0.000 1.972 301 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 301 A C 2.023 179.635 177.584 0.046 0.000 1.169 301 A CA 1.149 53.185 52.037 -0.003 0.000 0.635 301 A CB -0.588 18.414 19.000 0.003 0.000 0.810 301 A HN 0.495 nan 8.150 nan 0.000 0.446 302 C N -0.953 118.369 119.300 0.038 0.000 2.626 302 C HA 0.431 4.891 4.460 -0.000 0.000 0.266 302 C C 1.832 176.842 174.990 0.034 0.000 1.317 302 C CA 0.070 59.119 59.018 0.052 0.000 1.716 302 C CB -1.393 26.386 27.740 0.064 0.000 1.819 302 C HN 1.064 nan 8.230 nan 0.000 0.578 303 G N 1.185 110.000 108.800 0.025 0.000 2.246 303 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 303 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 303 G C -0.155 174.764 174.900 0.032 0.000 1.055 303 G CA 0.404 45.521 45.100 0.028 0.000 0.851 303 G HN 0.434 nan 8.290 nan 0.000 0.500 304 V N 1.724 121.658 119.914 0.032 0.000 2.417 304 V HA 0.521 4.641 4.120 -0.000 0.000 0.291 304 V C -1.440 174.692 176.094 0.063 0.000 1.024 304 V CA -1.809 60.524 62.300 0.055 0.000 0.861 304 V CB 1.982 33.853 31.823 0.080 0.000 0.985 304 V HN 0.217 nan 8.190 nan 0.000 0.436 305 P HA 0.137 nan 4.420 nan 0.000 0.269 305 P C -0.739 176.625 177.300 0.107 0.000 1.209 305 P CA 0.137 63.273 63.100 0.059 0.000 0.776 305 P CB 0.997 32.721 31.700 0.039 0.000 0.876 306 V N 4.500 124.471 119.914 0.096 0.000 2.555 306 V HA 0.377 4.497 4.120 -0.000 0.000 0.302 306 V C 0.507 176.653 176.094 0.086 0.000 1.038 306 V CA -0.671 61.730 62.300 0.168 0.000 0.887 306 V CB 1.745 33.660 31.823 0.154 0.000 0.991 306 V HN 0.390 nan 8.190 nan 0.000 0.434 307 I N 4.059 124.693 120.570 0.106 0.000 2.330 307 I HA 0.687 4.857 4.170 -0.000 0.000 0.289 307 I C 0.318 176.462 176.117 0.045 0.000 1.001 307 I CA -0.207 61.110 61.300 0.029 0.000 1.193 307 I CB 1.544 39.545 38.000 0.002 0.000 1.345 307 I HN 0.729 nan 8.210 nan 0.000 0.461 308 A N 4.829 127.594 122.820 -0.092 0.000 2.354 308 A HA 0.880 5.200 4.320 -0.000 0.000 0.321 308 A C 0.069 177.589 177.584 -0.106 0.000 1.125 308 A CA -0.517 51.376 52.037 -0.241 0.000 0.799 308 A CB 1.329 19.866 19.000 -0.771 0.000 1.293 308 A HN 0.718 nan 8.150 nan 0.000 0.452 309 G N -1.031 107.755 108.800 -0.024 0.000 2.502 309 G HA2 0.430 4.390 3.960 -0.000 0.000 0.305 309 G HA3 0.430 4.390 3.960 -0.000 0.000 0.305 309 G C 0.843 175.717 174.900 -0.044 0.000 1.190 309 G CA 0.448 45.547 45.100 -0.003 0.000 0.933 309 G HN 1.162 nan 8.290 nan 0.000 0.503 310 T N -2.433 112.102 114.554 -0.032 0.000 3.113 310 T HA 0.113 4.463 4.350 -0.000 0.000 0.256 310 T C 1.417 176.078 174.700 -0.064 0.000 1.131 310 T CA 0.541 62.617 62.100 -0.041 0.000 1.074 310 T CB 0.002 68.858 68.868 -0.019 0.000 0.944 310 T HN 0.451 nan 8.240 nan 0.000 0.516 311 S N 0.914 116.576 115.700 -0.064 0.000 2.516 311 S HA 0.463 4.933 4.470 -0.000 0.000 0.282 311 S C 1.507 175.947 174.600 -0.267 0.000 1.286 311 S CA 0.336 58.463 58.200 -0.123 0.000 1.066 311 S CB -0.789 62.377 63.200 -0.058 0.000 0.884 311 S HN 1.007 nan 8.310 nan 0.000 0.491 312 G N 4.938 113.361 108.800 -0.628 0.000 2.622 312 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.307 312 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.307 312 G C 0.872 175.383 174.900 -0.649 0.000 1.226 312 G CA 0.318 44.647 45.100 -1.284 0.000 0.997 312 G HN 1.615 nan 8.290 nan 0.000 0.551 313 G N 0.390 109.022 108.800 -0.281 0.000 3.141 313 G HA2 0.524 4.484 3.960 -0.000 0.000 0.218 313 G HA3 0.524 4.484 3.960 -0.000 0.000 0.218 313 G C 1.720 176.637 174.900 0.030 0.000 1.170 313 G CA 1.779 46.874 45.100 -0.009 0.000 0.769 313 G HN 1.626 nan 8.290 nan 0.000 0.546 314 A N 2.148 124.967 122.820 -0.002 0.000 1.892 314 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 314 A C 0.598 178.099 177.584 -0.138 0.000 1.188 314 A CA 1.708 53.765 52.037 0.034 0.000 0.631 314 A CB -1.048 18.012 19.000 0.098 0.000 0.822 314 A HN 0.339 nan 8.150 nan 0.000 0.447 315 P HA -0.097 nan 4.420 nan 0.000 0.222 315 P C 0.831 178.111 177.300 -0.033 0.000 1.147 315 P CA 1.165 64.201 63.100 -0.106 0.000 0.790 315 P CB -0.086 31.579 31.700 -0.058 0.000 0.780 316 E N -1.059 119.166 120.200 0.042 0.000 2.418 316 E HA -0.090 4.260 4.350 -0.000 0.000 0.197 316 E C 1.535 178.280 176.600 0.241 0.000 1.026 316 E CA 1.418 57.911 56.400 0.155 0.000 0.862 316 E CB -0.447 29.384 29.700 0.218 0.000 0.799 316 E HN 0.417 nan 8.360 nan 0.000 0.518 317 T N -1.997 112.595 114.554 0.064 0.000 3.067 317 T HA 0.062 4.412 4.350 -0.000 0.000 0.257 317 T C 0.840 175.521 174.700 -0.031 0.000 1.105 317 T CA 0.058 62.092 62.100 -0.110 0.000 1.104 317 T CB -0.141 68.566 68.868 -0.268 0.000 0.925 317 T HN 0.009 nan 8.240 nan 0.000 0.498 318 V N 0.102 119.997 119.914 -0.032 0.000 2.919 318 V HA 0.896 5.016 4.120 -0.000 0.000 0.316 318 V C -0.129 175.916 176.094 -0.082 0.000 1.077 318 V CA -0.573 61.687 62.300 -0.067 0.000 0.977 318 V CB 1.525 33.258 31.823 -0.149 0.000 1.039 318 V HN 0.450 nan 8.190 nan 0.000 0.441 319 T N -0.941 113.497 114.554 -0.193 0.000 2.942 319 T HA 0.637 4.987 4.350 -0.000 0.000 0.289 319 T C -2.094 172.534 174.700 -0.120 0.000 1.044 319 T CA -2.011 59.984 62.100 -0.175 0.000 1.023 319 T CB 1.743 70.442 68.868 -0.283 0.000 1.123 319 T HN 0.505 nan 8.240 nan 0.000 0.512 320 P HA 0.013 nan 4.420 nan 0.000 0.220 320 P C 1.231 178.496 177.300 -0.058 0.000 1.144 320 P CA 1.101 64.165 63.100 -0.060 0.000 0.800 320 P CB -0.177 31.496 31.700 -0.044 0.000 0.772 321 A N -1.044 121.733 122.820 -0.073 0.000 2.072 321 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 321 A C 2.026 179.579 177.584 -0.051 0.000 1.156 321 A CA 1.781 53.784 52.037 -0.056 0.000 0.701 321 A CB -1.156 17.811 19.000 -0.056 0.000 0.816 321 A HN 0.330 nan 8.150 nan 0.000 0.458 322 T N -5.081 109.429 114.554 -0.074 0.000 2.971 322 T HA 0.501 4.851 4.350 -0.000 0.000 0.252 322 T C 0.706 175.387 174.700 -0.032 0.000 1.022 322 T CA 0.811 62.883 62.100 -0.046 0.000 0.980 322 T CB 0.509 69.344 68.868 -0.055 0.000 1.044 322 T HN 0.964 nan 8.240 nan 0.000 0.501 323 G N 0.509 109.279 108.800 -0.049 0.000 2.559 323 G HA2 0.574 4.534 3.960 -0.000 0.000 0.291 323 G HA3 0.574 4.534 3.960 -0.000 0.000 0.291 323 G C -2.249 172.618 174.900 -0.055 0.000 1.424 323 G CA -1.081 43.993 45.100 -0.044 0.000 0.786 323 G HN 0.345 nan 8.290 nan 0.000 0.485 324 L N 0.305 121.498 121.223 -0.050 0.000 2.346 324 L HA 0.646 4.986 4.340 -0.000 0.000 0.276 324 L C -0.249 176.580 176.870 -0.070 0.000 1.006 324 L CA -1.212 53.598 54.840 -0.051 0.000 0.817 324 L CB 2.140 44.179 42.059 -0.032 0.000 1.272 324 L HN 0.269 nan 8.230 nan 0.000 0.421 325 V N 3.488 123.360 119.914 -0.071 0.000 2.439 325 V HA 0.475 4.595 4.120 -0.000 0.000 0.282 325 V C -0.127 175.937 176.094 -0.049 0.000 1.039 325 V CA -0.521 61.732 62.300 -0.078 0.000 0.913 325 V CB 2.106 33.880 31.823 -0.081 0.000 0.983 325 V HN 0.497 nan 8.190 nan 0.000 0.460 326 V N 3.260 123.150 119.914 -0.042 0.000 2.789 326 V HA 0.732 4.852 4.120 -0.000 0.000 0.311 326 V C 0.236 176.320 176.094 -0.016 0.000 1.073 326 V CA -0.190 62.095 62.300 -0.024 0.000 0.921 326 V CB 2.159 33.970 31.823 -0.019 0.000 1.009 326 V HN 1.083 nan 8.190 nan 0.000 0.426 327 E N 3.376 123.571 120.200 -0.009 0.000 2.265 327 E HA 0.392 4.742 4.350 -0.000 0.000 0.272 327 E C 1.268 177.869 176.600 0.003 0.000 1.067 327 E CA 0.180 56.579 56.400 -0.002 0.000 0.900 327 E CB 0.702 30.403 29.700 0.001 0.000 1.017 327 E HN 1.376 nan 8.360 nan 0.000 0.431 328 G N 1.339 110.143 108.800 0.007 0.000 2.469 328 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.220 328 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.220 328 G C 1.910 176.819 174.900 0.015 0.000 1.136 328 G CA 1.664 46.771 45.100 0.013 0.000 0.759 328 G HN 1.065 nan 8.290 nan 0.000 0.562 329 S N -0.279 115.431 115.700 0.016 0.000 2.515 329 S HA -0.005 4.465 4.470 -0.000 0.000 0.231 329 S C 0.927 175.535 174.600 0.014 0.000 0.987 329 S CA 0.596 58.807 58.200 0.019 0.000 0.936 329 S CB 0.121 63.334 63.200 0.020 0.000 0.766 329 S HN 0.203 nan 8.310 nan 0.000 0.528 330 D N 1.938 122.343 120.400 0.009 0.000 2.517 330 D HA 0.257 4.897 4.640 -0.000 0.000 0.220 330 D C 1.049 177.351 176.300 0.003 0.000 1.158 330 D CA -0.182 53.821 54.000 0.005 0.000 0.992 330 D CB 0.613 41.415 40.800 0.002 0.000 1.058 330 D HN 0.044 nan 8.370 nan 0.000 0.516 331 V N 2.840 122.757 119.914 0.005 0.000 2.343 331 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 331 V C 1.744 177.837 176.094 -0.002 0.000 1.051 331 V CA 1.458 63.760 62.300 0.003 0.000 1.036 331 V CB -0.220 31.608 31.823 0.007 0.000 0.654 331 V HN 0.402 nan 8.190 nan 0.000 0.451 332 D N -0.005 120.395 120.400 -0.001 0.000 2.104 332 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 332 D C 2.186 178.482 176.300 -0.006 0.000 0.994 332 D CA 1.447 55.444 54.000 -0.004 0.000 0.830 332 D CB -0.231 40.568 40.800 -0.002 0.000 0.959 332 D HN 0.301 nan 8.370 nan 0.000 0.452 333 K N 0.330 120.726 120.400 -0.005 0.000 2.097 333 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 333 K C 1.880 178.473 176.600 -0.011 0.000 1.050 333 K CA 0.429 56.711 56.287 -0.008 0.000 0.938 333 K CB -0.490 32.007 32.500 -0.007 0.000 0.718 333 K HN 0.058 nan 8.250 nan 0.000 0.442 334 L N 0.662 121.878 121.223 -0.010 0.000 2.017 334 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 334 L C 2.089 178.949 176.870 -0.018 0.000 1.073 334 L CA 2.430 57.261 54.840 -0.014 0.000 0.745 334 L CB -1.099 40.953 42.059 -0.012 0.000 0.894 334 L HN 0.396 nan 8.230 nan 0.000 0.432 335 S N -1.726 113.964 115.700 -0.016 0.000 2.382 335 S HA -0.211 4.259 4.470 -0.000 0.000 0.228 335 S C 1.945 176.534 174.600 -0.019 0.000 1.027 335 S CA 1.244 59.432 58.200 -0.019 0.000 0.991 335 S CB -0.827 62.363 63.200 -0.016 0.000 0.823 335 S HN 0.500 nan 8.310 nan 0.000 0.469 336 E N 0.915 121.106 120.200 -0.015 0.000 2.058 336 E HA -0.057 4.293 4.350 -0.000 0.000 0.194 336 E C 2.076 178.667 176.600 -0.015 0.000 0.997 336 E CA 1.265 57.657 56.400 -0.014 0.000 0.801 336 E CB -0.831 28.863 29.700 -0.011 0.000 0.746 336 E HN 0.534 nan 8.360 nan 0.000 0.450 337 L N 0.162 121.376 121.223 -0.016 0.000 2.046 337 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 337 L C 2.510 179.368 176.870 -0.019 0.000 1.077 337 L CA 1.586 56.416 54.840 -0.017 0.000 0.747 337 L CB -0.968 41.080 42.059 -0.017 0.000 0.896 337 L HN 0.279 nan 8.230 nan 0.000 0.432 338 L N -1.324 119.885 121.223 -0.023 0.000 1.989 338 L HA -0.267 4.073 4.340 -0.000 0.000 0.211 338 L C 2.450 179.304 176.870 -0.026 0.000 1.071 338 L CA 1.428 56.252 54.840 -0.027 0.000 0.749 338 L CB -0.494 41.544 42.059 -0.035 0.000 0.890 338 L HN 0.181 nan 8.230 nan 0.000 0.431 339 I N -0.284 120.271 120.570 -0.025 0.000 2.118 339 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 339 I C 2.673 178.778 176.117 -0.020 0.000 1.070 339 I CA 1.708 62.994 61.300 -0.023 0.000 1.327 339 I CB -0.394 37.593 38.000 -0.021 0.000 1.034 339 I HN 0.363 nan 8.210 nan 0.000 0.405 340 E N 0.943 121.133 120.200 -0.017 0.000 2.070 340 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 340 E C 2.294 178.887 176.600 -0.013 0.000 1.004 340 E CA 1.354 57.745 56.400 -0.014 0.000 0.805 340 E CB 0.058 29.750 29.700 -0.013 0.000 0.744 340 E HN 0.297 nan 8.360 nan 0.000 0.451 341 L N 0.710 121.925 121.223 -0.013 0.000 2.093 341 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 341 L C 2.493 179.355 176.870 -0.012 0.000 1.085 341 L CA 1.201 56.035 54.840 -0.010 0.000 0.755 341 L CB -0.919 41.135 42.059 -0.008 0.000 0.904 341 L HN 0.354 nan 8.230 nan 0.000 0.435 342 L N 0.192 121.405 121.223 -0.018 0.000 2.141 342 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 342 L C 2.339 179.198 176.870 -0.019 0.000 1.094 342 L CA 1.426 56.253 54.840 -0.022 0.000 0.763 342 L CB -0.947 41.092 42.059 -0.032 0.000 0.908 342 L HN 0.374 nan 8.230 nan 0.000 0.437 343 D N -1.700 118.690 120.400 -0.017 0.000 2.349 343 D HA -0.105 4.535 4.640 -0.000 0.000 0.224 343 D C 0.745 177.039 176.300 -0.010 0.000 1.029 343 D CA 0.525 54.516 54.000 -0.014 0.000 0.879 343 D CB 0.025 40.816 40.800 -0.014 0.000 0.906 343 D HN 0.140 nan 8.370 nan 0.000 0.528 344 D N -0.782 119.612 120.400 -0.009 0.000 2.502 344 D HA 0.155 4.795 4.640 -0.000 0.000 0.301 344 D C -1.700 174.597 176.300 -0.004 0.000 1.202 344 D CA -1.859 52.137 54.000 -0.006 0.000 0.878 344 D CB 1.599 42.395 40.800 -0.006 0.000 1.062 344 D HN 0.060 nan 8.370 nan 0.000 0.499 345 P HA -0.106 nan 4.420 nan 0.000 0.218 345 P C 1.847 179.148 177.300 0.002 0.000 1.149 345 P CA 0.554 63.654 63.100 -0.000 0.000 0.817 345 P CB 0.792 32.492 31.700 -0.001 0.000 0.785 346 I N -0.149 120.421 120.570 0.001 0.000 2.179 346 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 346 I C 3.052 179.170 176.117 0.003 0.000 1.088 346 I CA 1.403 62.704 61.300 0.002 0.000 1.357 346 I CB -0.542 37.458 38.000 0.001 0.000 1.051 346 I HN -0.138 nan 8.210 nan 0.000 0.409 347 R N 0.891 121.391 120.500 0.001 0.000 2.081 347 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 347 R C 2.519 178.821 176.300 0.003 0.000 1.131 347 R CA 1.371 57.471 56.100 0.001 0.000 0.960 347 R CB -0.087 30.212 30.300 -0.002 0.000 0.856 347 R HN 0.301 nan 8.270 nan 0.000 0.436 348 R N -0.274 120.229 120.500 0.005 0.000 2.083 348 R HA -0.123 4.217 4.340 -0.000 0.000 0.237 348 R C 2.309 178.617 176.300 0.013 0.000 1.137 348 R CA 1.502 57.608 56.100 0.010 0.000 0.951 348 R CB -0.382 29.924 30.300 0.010 0.000 0.851 348 R HN 0.236 nan 8.270 nan 0.000 0.434 349 A N 1.201 124.028 122.820 0.012 0.000 1.902 349 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 349 A C 2.371 179.963 177.584 0.014 0.000 1.181 349 A CA 1.784 53.830 52.037 0.014 0.000 0.623 349 A CB -0.617 18.390 19.000 0.011 0.000 0.818 349 A HN 0.419 nan 8.150 nan 0.000 0.443 350 A N -0.860 121.966 122.820 0.010 0.000 1.930 350 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 350 A C 2.254 179.844 177.584 0.010 0.000 1.175 350 A CA 1.732 53.775 52.037 0.009 0.000 0.627 350 A CB -0.486 18.518 19.000 0.006 0.000 0.815 350 A HN 0.531 nan 8.150 nan 0.000 0.443 351 M N -0.758 118.847 119.600 0.009 0.000 2.132 351 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 351 M C 2.304 178.614 176.300 0.016 0.000 1.065 351 M CA 1.344 56.649 55.300 0.008 0.000 1.122 351 M CB -0.458 32.145 32.600 0.006 0.000 1.365 351 M HN 0.514 nan 8.290 nan 0.000 0.411 352 G N -0.123 108.690 108.800 0.021 0.000 2.418 352 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 352 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 352 G C 1.601 176.519 174.900 0.029 0.000 1.158 352 G CA 0.941 46.057 45.100 0.027 0.000 0.771 352 G HN 0.527 nan 8.290 nan 0.000 0.545 353 A N 1.249 124.085 122.820 0.027 0.000 1.877 353 A HA 0.259 4.579 4.320 -0.000 0.000 0.216 353 A C 2.824 180.431 177.584 0.038 0.000 1.186 353 A CA 2.297 54.351 52.037 0.029 0.000 0.620 353 A CB -0.838 18.176 19.000 0.024 0.000 0.822 353 A HN 0.784 nan 8.150 nan 0.000 0.443 354 A N -0.467 122.373 122.820 0.034 0.000 1.933 354 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 354 A C 2.418 180.046 177.584 0.073 0.000 1.175 354 A CA 1.931 53.993 52.037 0.042 0.000 0.628 354 A CB -1.423 17.585 19.000 0.015 0.000 0.814 354 A HN 0.745 nan 8.150 nan 0.000 0.444 355 G N -0.220 108.616 108.800 0.060 0.000 2.446 355 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 355 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 355 G C 1.717 176.673 174.900 0.094 0.000 1.168 355 G CA 1.432 46.581 45.100 0.081 0.000 0.771 355 G HN 0.539 nan 8.290 nan 0.000 0.551 356 R N 1.197 121.736 120.500 0.064 0.000 2.073 356 R HA 0.080 4.420 4.340 -0.000 0.000 0.234 356 R C 2.791 179.135 176.300 0.073 0.000 1.134 356 R CA 1.993 58.127 56.100 0.057 0.000 0.952 356 R CB -1.045 29.282 30.300 0.044 0.000 0.850 356 R HN 0.254 nan 8.270 nan 0.000 0.433 357 A N 0.038 122.908 122.820 0.084 0.000 1.933 357 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 357 A C 2.285 179.950 177.584 0.135 0.000 1.175 357 A CA 1.800 53.891 52.037 0.089 0.000 0.628 357 A CB -1.057 17.989 19.000 0.077 0.000 0.814 357 A HN 0.688 nan 8.150 nan 0.000 0.444 358 H N 0.163 119.274 119.070 0.068 0.000 2.321 358 H HA -0.126 4.430 4.556 -0.000 0.000 0.300 358 H C 2.084 177.532 175.328 0.199 0.000 1.087 358 H CA 2.348 58.467 56.048 0.118 0.000 1.319 358 H CB 0.070 29.904 29.762 0.119 0.000 1.379 358 H HN 0.392 nan 8.280 nan 0.000 0.501 359 V N -1.161 118.789 119.914 0.060 0.000 2.548 359 V HA -0.109 4.011 4.120 -0.000 0.000 0.249 359 V C 1.918 178.030 176.094 0.031 0.000 1.055 359 V CA 1.646 63.975 62.300 0.049 0.000 1.065 359 V CB -0.477 31.341 31.823 -0.010 0.000 0.681 359 V HN 0.310 nan 8.190 nan 0.000 0.462 360 E N 1.283 121.501 120.200 0.030 0.000 2.072 360 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 360 E C 2.346 178.944 176.600 -0.004 0.000 0.985 360 E CA 1.422 57.833 56.400 0.019 0.000 0.801 360 E CB -0.295 29.424 29.700 0.031 0.000 0.750 360 E HN 0.721 nan 8.360 nan 0.000 0.452 361 A N 0.527 123.344 122.820 -0.005 0.000 1.970 361 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 361 A C 1.590 179.114 177.584 -0.101 0.000 1.170 361 A CA 1.116 53.137 52.037 -0.027 0.000 0.645 361 A CB 0.127 19.137 19.000 0.016 0.000 0.816 361 A HN 0.092 nan 8.150 nan 0.000 0.447 362 E N -3.960 116.131 120.200 -0.183 0.000 2.702 362 E HA 0.115 4.465 4.350 -0.000 0.000 0.225 362 E C 0.153 176.364 176.600 -0.647 0.000 0.942 362 E CA -0.184 55.971 56.400 -0.408 0.000 1.210 362 E CB 0.445 29.851 29.700 -0.490 0.000 1.143 362 E HN 0.726 nan 8.360 nan 0.000 0.544 363 W N 0.613 121.753 121.300 -0.267 0.000 2.355 363 W HA 0.154 4.814 4.660 0.000 0.000 0.303 363 W C 0.753 177.046 176.519 -0.377 0.000 0.939 363 W CA -0.211 56.943 57.345 -0.319 0.000 1.377 363 W CB 0.744 30.004 29.460 -0.334 0.000 1.048 363 W HN -0.108 nan 8.180 nan 0.000 0.542 364 S N -0.574 115.068 115.700 -0.096 0.000 2.580 364 S HA -0.088 4.382 4.470 -0.000 0.000 0.266 364 S C 0.633 175.109 174.600 -0.207 0.000 1.354 364 S CA -0.185 57.938 58.200 -0.128 0.000 1.008 364 S CB 0.517 63.705 63.200 -0.020 0.000 0.898 364 S HN 0.311 nan 8.310 nan 0.000 0.555 365 W N 0.480 121.753 121.300 -0.045 0.000 2.425 365 W HA 0.055 4.715 4.660 -0.000 0.000 0.277 365 W C 2.972 179.444 176.519 -0.078 0.000 1.231 365 W CA 0.980 58.259 57.345 -0.110 0.000 1.248 365 W CB -0.799 28.592 29.460 -0.115 0.000 1.117 365 W HN 1.016 nan 8.180 nan 0.000 0.568 366 E N 0.665 120.957 120.200 0.154 0.000 2.051 366 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 366 E C 1.548 178.173 176.600 0.042 0.000 0.991 366 E CA 1.837 58.288 56.400 0.086 0.000 0.799 366 E CB -0.809 28.926 29.700 0.058 0.000 0.748 366 E HN 0.156 nan 8.360 nan 0.000 0.449 367 I N 0.221 120.787 120.570 -0.007 0.000 2.142 367 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 367 I C 2.631 178.723 176.117 -0.041 0.000 1.078 367 I CA 1.462 62.730 61.300 -0.053 0.000 1.343 367 I CB -0.893 37.036 38.000 -0.119 0.000 1.046 367 I HN 0.277 nan 8.210 nan 0.000 0.405 368 M N 0.483 120.056 119.600 -0.045 0.000 2.175 368 M HA -0.067 4.413 4.480 -0.000 0.000 0.264 368 M C 2.398 178.850 176.300 0.252 0.000 1.063 368 M CA 1.503 56.837 55.300 0.056 0.000 1.119 368 M CB -2.067 30.488 32.600 -0.075 0.000 1.377 368 M HN 0.264 nan 8.290 nan 0.000 0.415 369 G N -0.006 108.924 108.800 0.218 0.000 2.469 369 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 369 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 369 G C 1.570 176.539 174.900 0.116 0.000 1.136 369 G CA 0.826 46.053 45.100 0.211 0.000 0.759 369 G HN 0.516 nan 8.290 nan 0.000 0.562 370 E N 0.027 120.265 120.200 0.062 0.000 2.077 370 E HA -0.109 4.240 4.350 -0.000 0.000 0.193 370 E C 2.800 179.395 176.600 -0.008 0.000 0.989 370 E CA 0.545 56.954 56.400 0.015 0.000 0.800 370 E CB -0.101 29.597 29.700 -0.005 0.000 0.746 370 E HN 0.378 nan 8.360 nan 0.000 0.452 371 R N 0.257 120.753 120.500 -0.007 0.000 2.081 371 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 371 R C 2.482 178.722 176.300 -0.099 0.000 1.131 371 R CA 0.942 57.009 56.100 -0.056 0.000 0.960 371 R CB -0.362 29.895 30.300 -0.072 0.000 0.856 371 R HN 0.127 nan 8.270 nan 0.000 0.436 372 L N 0.693 121.874 121.223 -0.070 0.000 2.072 372 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 372 L C 1.967 178.744 176.870 -0.155 0.000 1.079 372 L CA 1.894 56.620 54.840 -0.189 0.000 0.752 372 L CB -0.622 41.359 42.059 -0.129 0.000 0.906 372 L HN 0.058 nan 8.230 nan 0.000 0.436 373 T N 0.317 114.832 114.554 -0.066 0.000 2.665 373 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 373 T C 1.700 176.352 174.700 -0.079 0.000 1.035 373 T CA 1.717 63.782 62.100 -0.058 0.000 1.151 373 T CB -0.412 68.442 68.868 -0.022 0.000 0.862 373 T HN 0.381 nan 8.240 nan 0.000 0.438 374 N N 1.106 119.759 118.700 -0.079 0.000 2.104 374 N HA -0.018 4.722 4.740 -0.000 0.000 0.190 374 N C 1.862 177.307 175.510 -0.109 0.000 1.024 374 N CA 1.010 54.011 53.050 -0.082 0.000 0.853 374 N CB -0.533 37.910 38.487 -0.073 0.000 1.008 374 N HN 0.405 nan 8.380 nan 0.000 0.424 375 I N 0.680 121.157 120.570 -0.156 0.000 2.179 375 I HA -0.208 3.962 4.170 -0.000 0.000 0.242 375 I C 1.882 177.886 176.117 -0.188 0.000 1.088 375 I CA 0.934 62.116 61.300 -0.196 0.000 1.357 375 I CB -0.155 37.667 38.000 -0.297 0.000 1.051 375 I HN 0.056 nan 8.210 nan 0.000 0.409 376 L N -0.460 120.647 121.223 -0.193 0.000 2.270 376 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 376 L C 2.019 178.830 176.870 -0.097 0.000 1.104 376 L CA 0.635 55.382 54.840 -0.156 0.000 0.804 376 L CB -0.368 41.598 42.059 -0.155 0.000 0.937 376 L HN 0.279 nan 8.230 nan 0.000 0.450 377 Q N -0.131 119.618 119.800 -0.084 0.000 2.282 377 Q HA 0.145 4.485 4.340 -0.000 0.000 0.206 377 Q C 0.774 176.743 176.000 -0.052 0.000 0.878 377 Q CA 0.056 55.824 55.803 -0.058 0.000 0.944 377 Q CB 0.681 29.391 28.738 -0.047 0.000 1.100 377 Q HN 0.454 nan 8.270 nan 0.000 0.509 378 S N -0.005 115.658 115.700 -0.061 0.000 2.601 378 S HA 0.491 4.961 4.470 -0.000 0.000 0.271 378 S C 0.363 174.936 174.600 -0.046 0.000 1.305 378 S CA -0.299 57.870 58.200 -0.052 0.000 1.022 378 S CB 1.041 64.206 63.200 -0.057 0.000 0.940 378 S HN 0.280 nan 8.310 nan 0.000 0.525 379 E N 1.380 121.559 120.200 -0.036 0.000 2.442 379 E HA 0.327 4.677 4.350 -0.000 0.000 0.262 379 E C -2.554 174.026 176.600 -0.033 0.000 1.004 379 E CA -1.571 54.811 56.400 -0.030 0.000 0.928 379 E CB -1.499 28.187 29.700 -0.023 0.000 0.937 379 E HN 0.688 nan 8.360 nan 0.000 0.446 380 P HA 0.356 nan 4.420 nan 0.000 0.266 380 P C 0.483 177.770 177.300 -0.021 0.000 1.195 380 P CA 0.528 63.614 63.100 -0.025 0.000 0.768 380 P CB 0.480 32.172 31.700 -0.013 0.000 0.838 381 R N 0.000 120.484 120.500 -0.027 0.000 2.786 381 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 381 R CA 0.000 56.084 56.100 -0.027 0.000 0.921 381 R CB 0.000 30.271 30.300 -0.048 0.000 0.687 381 R HN 0.000 nan 8.270 nan 0.000 0.535