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 1vqu_1_B DATA FIRST_RESID 14 DATA SEQUENCE SWYLLLQQLI DGESLSRSQA AELXQGWLSE AVPPELSGAI LTALNFKGVS DATA SEQUENCE ADELTGXAEV LQSQSKXXXX XXXXXXXXXN SPFSIIDTCG TGXXXSSTFN DATA SEQUENCE ISTAVAFVAA AYGVPVAKHG NRSASXLTGS ADVLEALGVN LGASPEKVQA DATA SEQUENCE ALQEVGITFL FAPXXXPALK AVATLRRTLR IRTVFNLLGP LVNPLRPTGQ DATA SEQUENCE VVGLFTPKLL TTVAQALDNL GKQKAIVLHG RERLDEAGLG DLTDLAVLSD DATA SEQUENCE GELQLTTINP QEVGVTPAPI GALRGGDVQE NAEILKAVLQ GKGTQAQQDA DATA SEQUENCE VALNAALALQ VAGAVPLLDH AQGVSVAKEI LQTGTAWAKL AQLVYFLGN 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 14 S HA 0.000 nan 4.470 nan 0.000 0.327 14 S C 0.000 174.368 174.600 -0.387 0.000 1.055 14 S CA 0.000 58.000 58.200 -0.333 0.000 1.107 14 S CB 0.000 62.865 63.200 -0.559 0.000 0.593 15 W N 2.784 124.063 121.300 -0.035 0.000 2.350 15 W HA -0.023 4.637 4.660 0.000 0.000 0.289 15 W C 2.338 178.820 176.519 -0.061 0.000 1.215 15 W CA 1.021 58.328 57.345 -0.062 0.000 1.236 15 W CB -0.527 28.927 29.460 -0.011 0.000 1.130 15 W HN 0.684 nan 8.180 nan 0.000 0.541 16 Y N -0.844 119.568 120.300 0.186 0.000 2.403 16 Y HA -0.095 4.456 4.550 0.001 0.000 0.291 16 Y C 2.367 178.312 175.900 0.074 0.000 1.143 16 Y CA 1.158 59.329 58.100 0.118 0.000 1.257 16 Y CB -1.455 37.054 38.460 0.080 0.000 0.984 16 Y HN 0.002 nan 8.280 nan 0.000 0.550 17 L N 0.834 121.663 121.223 -0.657 0.000 2.156 17 L HA 0.004 4.345 4.340 0.001 0.000 0.208 17 L C 2.464 179.235 176.870 -0.165 0.000 1.095 17 L CA 1.964 56.515 54.840 -0.481 0.000 0.770 17 L CB -1.490 nan 42.059 nan 0.000 0.914 17 L HN 0.578 nan 8.230 nan 0.000 0.439 18 L N -1.032 120.140 121.223 -0.085 0.000 2.093 18 L HA -0.166 4.175 4.340 0.001 0.000 0.208 18 L C 2.687 179.573 176.870 0.028 0.000 1.085 18 L CA 1.046 55.883 54.840 -0.005 0.000 0.755 18 L CB -0.571 41.519 42.059 0.052 0.000 0.904 18 L HN 0.541 nan 8.230 nan 0.000 0.435 19 L N 0.260 121.521 121.223 0.063 0.000 2.017 19 L HA -0.239 4.101 4.340 0.001 0.000 0.208 19 L C 2.565 179.473 176.870 0.064 0.000 1.073 19 L CA 1.852 56.742 54.840 0.083 0.000 0.745 19 L CB -0.706 41.427 42.059 0.124 0.000 0.894 19 L HN 0.207 nan 8.230 nan 0.000 0.432 20 Q N -0.497 119.342 119.800 0.064 0.000 2.124 20 Q HA -0.267 4.074 4.340 0.001 0.000 0.202 20 Q C 2.317 178.332 176.000 0.026 0.000 0.977 20 Q CA 2.074 57.909 55.803 0.053 0.000 0.850 20 Q CB -0.358 28.422 28.738 0.071 0.000 0.901 20 Q HN 0.705 nan 8.270 nan 0.000 0.429 21 Q N -0.554 119.250 119.800 0.008 0.000 2.061 21 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 21 Q C 1.925 177.934 176.000 0.014 0.000 0.984 21 Q CA 1.732 57.536 55.803 0.002 0.000 0.846 21 Q CB -0.153 28.578 28.738 -0.012 0.000 0.902 21 Q HN 0.517 nan 8.270 nan 0.000 0.421 22 L N -0.003 121.235 121.223 0.025 0.000 2.093 22 L HA -0.153 4.187 4.340 0.001 0.000 0.208 22 L C 2.363 179.253 176.870 0.034 0.000 1.085 22 L CA 0.716 55.577 54.840 0.035 0.000 0.755 22 L CB -0.241 41.849 42.059 0.052 0.000 0.904 22 L HN 0.312 nan 8.230 nan 0.000 0.435 23 I N -0.154 120.434 120.570 0.030 0.000 2.286 23 I HA -0.285 3.885 4.170 0.001 0.000 0.248 23 I C 1.655 177.780 176.117 0.013 0.000 1.115 23 I CA 1.143 62.454 61.300 0.018 0.000 1.392 23 I CB -0.231 37.780 38.000 0.019 0.000 1.065 23 I HN 0.248 nan 8.210 nan 0.000 0.418 24 D N 0.524 120.933 120.400 0.016 0.000 2.371 24 D HA 0.011 4.651 4.640 0.001 0.000 0.221 24 D C 1.617 177.924 176.300 0.012 0.000 0.986 24 D CA 1.130 55.137 54.000 0.012 0.000 0.899 24 D CB 0.260 41.066 40.800 0.010 0.000 0.902 24 D HN 0.481 nan 8.370 nan 0.000 0.530 25 G N -0.302 108.507 108.800 0.016 0.000 2.159 25 G HA2 -0.198 3.763 3.960 0.001 0.000 0.227 25 G HA3 -0.198 3.763 3.960 0.001 0.000 0.227 25 G C 0.280 175.190 174.900 0.016 0.000 0.986 25 G CA 0.263 45.374 45.100 0.019 0.000 0.651 25 G HN 0.609 nan 8.290 nan 0.000 0.523 26 E N 0.702 120.910 120.200 0.014 0.000 2.134 26 E HA 0.740 5.090 4.350 0.001 0.000 0.278 26 E C 0.441 177.047 176.600 0.011 0.000 0.959 26 E CA 0.202 56.607 56.400 0.009 0.000 0.783 26 E CB 0.847 30.548 29.700 0.002 0.000 1.095 26 E HN 0.892 nan 8.360 nan 0.000 0.399 27 S N 1.644 117.351 115.700 0.010 0.000 2.572 27 S HA 0.299 4.770 4.470 0.001 0.000 0.279 27 S C 0.698 175.300 174.600 0.004 0.000 1.341 27 S CA -0.557 57.650 58.200 0.011 0.000 1.043 27 S CB 0.163 63.369 63.200 0.009 0.000 0.887 27 S HN 0.574 nan 8.310 nan 0.000 0.516 28 L N 2.675 123.900 121.223 0.004 0.000 2.456 28 L HA 0.146 4.487 4.340 0.001 0.000 0.272 28 L C 1.231 178.096 176.870 -0.007 0.000 1.189 28 L CA -0.524 54.313 54.840 -0.004 0.000 0.846 28 L CB 0.059 42.115 42.059 -0.006 0.000 1.111 28 L HN 0.803 nan 8.230 nan 0.000 0.475 29 S N 2.411 118.104 115.700 -0.012 0.000 2.596 29 S HA 0.085 4.556 4.470 0.001 0.000 0.260 29 S C 1.064 175.658 174.600 -0.010 0.000 1.336 29 S CA -0.422 57.771 58.200 -0.011 0.000 0.993 29 S CB 0.925 64.116 63.200 -0.015 0.000 0.923 29 S HN 0.721 nan 8.310 nan 0.000 0.567 30 R N 0.483 120.978 120.500 -0.008 0.000 2.105 30 R HA -0.121 4.220 4.340 0.001 0.000 0.239 30 R C 2.305 178.601 176.300 -0.006 0.000 1.135 30 R CA 1.911 58.007 56.100 -0.006 0.000 0.967 30 R CB -0.617 29.680 30.300 -0.005 0.000 0.861 30 R HN 0.874 nan 8.270 nan 0.000 0.442 31 S N -1.445 114.249 115.700 -0.009 0.000 2.439 31 S HA -0.072 4.398 4.470 0.001 0.000 0.224 31 S C 1.999 176.594 174.600 -0.009 0.000 1.029 31 S CA 0.342 58.537 58.200 -0.008 0.000 0.946 31 S CB 0.248 63.440 63.200 -0.013 0.000 0.797 31 S HN 0.205 nan 8.310 nan 0.000 0.504 32 Q N 1.420 121.212 119.800 -0.015 0.000 2.061 32 Q HA 0.048 4.388 4.340 0.001 0.000 0.204 32 Q C 2.797 178.792 176.000 -0.009 0.000 0.984 32 Q CA 1.591 57.386 55.803 -0.013 0.000 0.846 32 Q CB -1.389 27.338 28.738 -0.018 0.000 0.902 32 Q HN 0.908 nan 8.270 nan 0.000 0.421 33 A N 0.521 123.330 122.820 -0.019 0.000 1.902 33 A HA -0.030 4.291 4.320 0.001 0.000 0.217 33 A C 2.395 179.963 177.584 -0.026 0.000 1.181 33 A CA 1.969 53.985 52.037 -0.034 0.000 0.623 33 A CB -0.978 18.012 19.000 -0.018 0.000 0.818 33 A HN 0.577 nan 8.150 nan 0.000 0.443 34 A N -0.830 121.989 122.820 -0.002 0.000 1.898 34 A HA -0.080 4.240 4.320 0.001 0.000 0.216 34 A C 2.043 179.643 177.584 0.027 0.000 1.181 34 A CA 1.972 54.019 52.037 0.016 0.000 0.620 34 A CB -0.731 18.280 19.000 0.017 0.000 0.819 34 A HN 0.470 nan 8.150 nan 0.000 0.442 35 E N -0.771 119.450 120.200 0.036 0.000 2.051 35 E HA -0.086 4.265 4.350 0.001 0.000 0.192 35 E C 1.118 177.806 176.600 0.146 0.000 0.991 35 E CA 0.834 57.291 56.400 0.096 0.000 0.799 35 E CB -0.749 28.997 29.700 0.076 0.000 0.748 35 E HN 0.532 nan 8.360 nan 0.000 0.449 39 G N 0.337 109.169 108.800 0.055 0.000 2.418 39 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 39 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 39 G C 0.909 175.790 174.900 -0.032 0.000 1.158 39 G CA 1.014 46.112 45.100 -0.004 0.000 0.771 39 G HN 0.295 nan 8.290 nan 0.000 0.545 40 W N 0.787 122.023 121.300 -0.107 0.000 2.358 40 W HA 0.116 4.776 4.660 0.000 0.000 0.303 40 W C 2.491 179.006 176.519 -0.007 0.000 1.208 40 W CA 0.399 57.707 57.345 -0.061 0.000 1.274 40 W CB -0.903 28.571 29.460 0.023 0.000 1.138 40 W HN 0.159 nan 8.180 nan 0.000 0.515 41 L N -0.047 121.327 121.223 0.252 0.000 2.291 41 L HA -0.113 4.227 4.340 0.001 0.000 0.214 41 L C 1.866 178.804 176.870 0.115 0.000 1.120 41 L CA 0.946 55.882 54.840 0.159 0.000 0.799 41 L CB -0.692 41.453 42.059 0.144 0.000 0.925 41 L HN -0.207 nan 8.230 nan 0.000 0.446 42 S N -0.635 115.135 115.700 0.117 0.000 2.575 42 S HA 0.084 4.555 4.470 0.001 0.000 0.215 42 S C 1.094 175.750 174.600 0.094 0.000 0.966 42 S CA 0.656 58.915 58.200 0.098 0.000 0.911 42 S CB 0.052 63.316 63.200 0.108 0.000 0.780 42 S HN 0.516 nan 8.310 nan 0.000 0.514 43 E N 0.190 120.451 120.200 0.101 0.000 2.328 43 E HA -0.261 4.090 4.350 0.001 0.000 0.233 43 E C 0.751 177.406 176.600 0.092 0.000 1.219 43 E CA 0.851 57.306 56.400 0.091 0.000 0.717 43 E CB -2.539 27.200 29.700 0.065 0.000 1.210 43 E HN 0.785 nan 8.360 nan 0.000 0.381 44 A N -0.775 122.103 122.820 0.097 0.000 2.238 44 A HA 0.507 4.828 4.320 0.001 0.000 0.210 44 A C 1.116 178.771 177.584 0.119 0.000 1.179 44 A CA 0.943 53.082 52.037 0.170 0.000 0.827 44 A CB 0.472 19.648 19.000 0.294 0.000 0.856 44 A HN 1.105 nan 8.150 nan 0.000 0.488 45 V N 1.598 121.412 119.914 -0.166 0.000 2.370 45 V HA 0.303 4.423 4.120 0.001 0.000 0.279 45 V C -2.561 173.487 176.094 -0.078 0.000 1.029 45 V CA -2.058 59.959 62.300 -0.471 0.000 0.870 45 V CB 1.003 32.379 31.823 -0.745 0.000 0.984 45 V HN 0.147 nan 8.190 nan 0.000 0.451 46 P HA 0.106 nan 4.420 nan 0.000 0.266 46 P C -1.786 175.554 177.300 0.067 0.000 1.195 46 P CA -0.965 62.178 63.100 0.071 0.000 0.768 46 P CB 0.210 31.977 31.700 0.113 0.000 0.838 47 P HA -0.223 nan 4.420 nan 0.000 0.215 47 P C 1.006 178.346 177.300 0.066 0.000 1.157 47 P CA 1.747 64.880 63.100 0.055 0.000 0.874 47 P CB 0.106 31.827 31.700 0.035 0.000 0.790 48 E N 0.112 120.350 120.200 0.064 0.000 2.086 48 E HA -0.177 4.174 4.350 0.001 0.000 0.200 48 E C 2.284 178.940 176.600 0.093 0.000 1.012 48 E CA 1.169 57.611 56.400 0.070 0.000 0.812 48 E CB -1.175 28.564 29.700 0.064 0.000 0.743 48 E HN 0.240 nan 8.360 nan 0.000 0.453 49 L N 0.381 121.668 121.223 0.107 0.000 2.109 49 L HA -0.134 4.206 4.340 0.001 0.000 0.207 49 L C 2.299 179.263 176.870 0.156 0.000 1.086 49 L CA 0.887 55.804 54.840 0.128 0.000 0.760 49 L CB -0.204 41.938 42.059 0.139 0.000 0.910 49 L HN 0.101 nan 8.230 nan 0.000 0.437 50 S N 0.025 115.841 115.700 0.193 0.000 2.359 50 S HA -0.156 4.315 4.470 0.001 0.000 0.224 50 S C 2.008 176.754 174.600 0.243 0.000 1.035 50 S CA 1.377 59.796 58.200 0.364 0.000 1.018 50 S CB -0.718 62.663 63.200 0.301 0.000 0.876 50 S HN 0.605 nan 8.310 nan 0.000 0.448 51 G N 1.252 110.133 108.800 0.135 0.000 2.402 51 G HA2 0.014 3.975 3.960 0.001 0.000 0.216 51 G HA3 0.014 3.975 3.960 0.001 0.000 0.216 51 G C 1.564 176.536 174.900 0.119 0.000 1.162 51 G CA 0.865 46.023 45.100 0.097 0.000 0.777 51 G HN 0.572 nan 8.290 nan 0.000 0.539 52 A N 0.995 123.889 122.820 0.123 0.000 1.865 52 A HA -0.007 4.313 4.320 0.001 0.000 0.217 52 A C 2.405 180.074 177.584 0.143 0.000 1.191 52 A CA 1.469 53.577 52.037 0.119 0.000 0.623 52 A CB -0.473 18.592 19.000 0.109 0.000 0.826 52 A HN 0.352 nan 8.150 nan 0.000 0.444 53 I N -0.394 120.279 120.570 0.172 0.000 2.163 53 I HA -0.274 3.896 4.170 0.001 0.000 0.243 53 I C 2.409 178.654 176.117 0.213 0.000 1.085 53 I CA 1.219 62.633 61.300 0.189 0.000 1.347 53 I CB -0.326 37.790 38.000 0.193 0.000 1.044 53 I HN 0.289 nan 8.210 nan 0.000 0.408 54 L N -0.170 121.195 121.223 0.237 0.000 2.083 54 L HA -0.198 4.142 4.340 0.001 0.000 0.209 54 L C 2.574 179.524 176.870 0.134 0.000 1.083 54 L CA 1.455 56.398 54.840 0.172 0.000 0.752 54 L CB -0.764 41.362 42.059 0.112 0.000 0.899 54 L HN 0.265 nan 8.230 nan 0.000 0.433 55 T N -0.365 114.281 114.554 0.154 0.000 2.812 55 T HA -0.106 4.245 4.350 0.001 0.000 0.264 55 T C 2.034 176.910 174.700 0.293 0.000 1.042 55 T CA 1.133 63.354 62.100 0.202 0.000 1.140 55 T CB -0.190 68.811 68.868 0.221 0.000 0.870 55 T HN 0.428 nan 8.240 nan 0.000 0.445 56 A N 1.445 124.401 122.820 0.225 0.000 1.908 56 A HA -0.048 4.273 4.320 0.001 0.000 0.218 56 A C 2.265 179.960 177.584 0.184 0.000 1.181 56 A CA 1.343 53.503 52.037 0.205 0.000 0.627 56 A CB -0.917 18.159 19.000 0.127 0.000 0.818 56 A HN 0.487 nan 8.150 nan 0.000 0.445 57 L N -0.446 120.858 121.223 0.136 0.000 2.083 57 L HA -0.199 4.142 4.340 0.001 0.000 0.209 57 L C 2.346 179.254 176.870 0.063 0.000 1.083 57 L CA 1.138 56.032 54.840 0.089 0.000 0.752 57 L CB -0.664 41.437 42.059 0.069 0.000 0.899 57 L HN 0.336 nan 8.230 nan 0.000 0.433 58 N N 0.094 118.824 118.700 0.051 0.000 2.058 58 N HA -0.172 4.568 4.740 0.001 0.000 0.191 58 N C 1.766 177.215 175.510 -0.101 0.000 1.037 58 N CA 1.575 54.592 53.050 -0.056 0.000 0.848 58 N CB -0.466 37.943 38.487 -0.130 0.000 1.021 58 N HN 0.178 nan 8.380 nan 0.000 0.422 59 F N 1.431 121.391 119.950 0.017 0.000 2.146 59 F HA -0.010 4.518 4.527 0.002 0.000 0.298 59 F C 2.381 178.188 175.800 0.012 0.000 1.096 59 F CA 0.972 58.981 58.000 0.014 0.000 1.275 59 F CB -0.138 38.872 39.000 0.017 0.000 1.008 59 F HN 0.007 nan 8.300 nan 0.000 0.480 60 K N 0.414 120.929 120.400 0.193 0.000 2.057 60 K HA 0.091 4.412 4.320 0.001 0.000 0.206 60 K C 0.568 177.205 176.600 0.062 0.000 1.050 60 K CA 1.122 57.475 56.287 0.110 0.000 0.935 60 K CB -0.415 32.138 32.500 0.088 0.000 0.715 60 K HN 0.333 nan 8.250 nan 0.000 0.439 61 G N 0.851 109.675 108.800 0.041 0.000 3.190 61 G HA2 -0.152 3.809 3.960 0.001 0.000 0.686 61 G HA3 -0.152 3.809 3.960 0.001 0.000 0.686 61 G C -0.570 174.338 174.900 0.012 0.000 1.033 61 G CA -0.325 44.782 45.100 0.011 0.000 0.797 61 G HN 0.132 nan 8.290 nan 0.000 0.567 62 V N 2.223 122.138 119.914 0.002 0.000 2.924 62 V HA 0.600 4.721 4.120 0.001 0.000 0.305 62 V C 1.405 177.499 176.094 0.000 0.000 1.073 62 V CA 0.444 62.745 62.300 0.002 0.000 1.098 62 V CB 1.465 33.283 31.823 -0.009 0.000 1.000 62 V HN 1.721 nan 8.190 nan 0.000 0.484 63 S N 2.590 118.291 115.700 0.001 0.000 2.654 63 S HA 0.632 5.102 4.470 0.001 0.000 0.283 63 S C 1.072 175.669 174.600 -0.004 0.000 1.180 63 S CA -0.098 58.102 58.200 -0.000 0.000 1.021 63 S CB 1.737 64.938 63.200 0.002 0.000 1.018 63 S HN 1.073 nan 8.310 nan 0.000 0.532 64 A N 1.194 124.012 122.820 -0.004 0.000 1.940 64 A HA -0.086 4.235 4.320 0.001 0.000 0.219 64 A C 1.681 179.262 177.584 -0.005 0.000 1.176 64 A CA 1.863 53.897 52.037 -0.005 0.000 0.631 64 A CB -1.073 17.924 19.000 -0.005 0.000 0.814 64 A HN 0.870 nan 8.150 nan 0.000 0.446 65 D N -0.590 119.808 120.400 -0.004 0.000 2.183 65 D HA -0.059 4.582 4.640 0.001 0.000 0.203 65 D C 1.943 178.240 176.300 -0.005 0.000 0.969 65 D CA 1.126 55.123 54.000 -0.004 0.000 0.842 65 D CB -0.256 40.542 40.800 -0.004 0.000 0.957 65 D HN 0.649 nan 8.370 nan 0.000 0.484 66 E N 0.216 120.413 120.200 -0.005 0.000 2.047 66 E HA -0.082 4.269 4.350 0.001 0.000 0.191 66 E C 2.312 178.906 176.600 -0.010 0.000 0.987 66 E CA 0.445 56.842 56.400 -0.006 0.000 0.799 66 E CB -0.031 29.667 29.700 -0.003 0.000 0.752 66 E HN 0.221 nan 8.360 nan 0.000 0.449 67 L N 0.716 121.931 121.223 -0.012 0.000 2.042 67 L HA -0.204 4.137 4.340 0.001 0.000 0.210 67 L C 2.544 179.410 176.870 -0.008 0.000 1.076 67 L CA 1.291 56.122 54.840 -0.015 0.000 0.749 67 L CB -0.651 41.400 42.059 -0.014 0.000 0.893 67 L HN 0.231 nan 8.230 nan 0.000 0.432 68 T N -0.380 114.171 114.554 -0.005 0.000 2.701 68 T HA -0.052 4.298 4.350 0.001 0.000 0.263 68 T C 1.171 175.873 174.700 0.003 0.000 1.040 68 T CA 0.846 62.945 62.100 -0.002 0.000 1.147 68 T CB -0.602 68.264 68.868 -0.003 0.000 0.865 68 T HN 0.506 nan 8.240 nan 0.000 0.426 72 E N 0.298 120.512 120.200 0.022 0.000 2.106 72 E HA -0.061 4.290 4.350 0.001 0.000 0.192 72 E C 1.732 178.351 176.600 0.031 0.000 0.984 72 E CA 1.481 57.893 56.400 0.020 0.000 0.806 72 E CB -0.048 29.661 29.700 0.015 0.000 0.750 72 E HN 0.361 nan 8.360 nan 0.000 0.458 73 V N 1.311 121.251 119.914 0.043 0.000 2.358 73 V HA -0.223 3.898 4.120 0.001 0.000 0.246 73 V C 2.229 178.365 176.094 0.070 0.000 1.047 73 V CA 1.329 63.663 62.300 0.057 0.000 1.035 73 V CB -0.303 31.561 31.823 0.069 0.000 0.658 73 V HN 0.272 nan 8.190 nan 0.000 0.452 74 L N -0.422 120.849 121.223 0.081 0.000 2.046 74 L HA -0.217 4.124 4.340 0.001 0.000 0.208 74 L C 2.643 179.551 176.870 0.063 0.000 1.077 74 L CA 1.732 56.627 54.840 0.091 0.000 0.747 74 L CB -0.511 41.614 42.059 0.110 0.000 0.896 74 L HN 0.362 nan 8.230 nan 0.000 0.432 75 Q N 0.192 120.017 119.800 0.042 0.000 2.226 75 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 75 Q C 2.246 178.259 176.000 0.021 0.000 0.975 75 Q CA 1.974 57.789 55.803 0.020 0.000 0.866 75 Q CB -0.213 28.527 28.738 0.005 0.000 0.915 75 Q HN 0.547 nan 8.270 nan 0.000 0.440 76 S N -0.882 114.835 115.700 0.029 0.000 2.423 76 S HA -0.112 4.358 4.470 0.001 0.000 0.231 76 S C 1.407 176.027 174.600 0.033 0.000 1.014 76 S CA 0.927 59.144 58.200 0.028 0.000 0.965 76 S CB -0.133 63.087 63.200 0.032 0.000 0.785 76 S HN 0.528 nan 8.310 nan 0.000 0.495 77 Q N 1.830 121.656 119.800 0.043 0.000 2.189 77 Q HA 0.262 4.603 4.340 0.001 0.000 0.221 77 Q C 0.195 176.223 176.000 0.045 0.000 0.848 77 Q CA -0.171 55.660 55.803 0.046 0.000 1.007 77 Q CB 0.798 29.571 28.738 0.058 0.000 1.116 77 Q HN 0.749 nan 8.270 nan 0.000 0.481 78 S N -0.335 115.389 115.700 0.039 0.000 2.655 78 S HA 0.313 4.784 4.470 0.001 0.000 0.265 78 S C 0.546 175.167 174.600 0.035 0.000 1.240 78 S CA -0.838 57.386 58.200 0.040 0.000 0.986 78 S CB 1.341 64.558 63.200 0.028 0.000 0.985 78 S HN -0.069 nan 8.310 nan 0.000 0.562 94 S N 0.648 116.297 115.700 -0.086 0.000 2.624 94 S HA 0.397 4.867 4.470 0.001 0.000 0.263 94 S C -1.456 173.009 174.600 -0.226 0.000 1.287 94 S CA -1.018 57.101 58.200 -0.136 0.000 0.990 94 S CB 0.718 63.884 63.200 -0.055 0.000 0.950 94 S HN 0.400 nan 8.310 nan 0.000 0.561 95 P HA 0.147 nan 4.420 nan 0.000 0.231 95 P C -0.321 176.676 177.300 -0.505 0.000 1.168 95 P CA 0.531 63.300 63.100 -0.552 0.000 0.779 95 P CB 0.007 31.205 31.700 -0.837 0.000 0.844 96 F N 0.106 120.050 119.950 -0.011 0.000 2.411 96 F HA 0.355 4.882 4.527 0.001 0.000 0.324 96 F C 1.341 177.134 175.800 -0.012 0.000 1.086 96 F CA -1.264 56.736 58.000 0.000 0.000 1.028 96 F CB -0.030 38.983 39.000 0.022 0.000 1.284 96 F HN -0.355 nan 8.300 nan 0.000 0.501 97 S N 1.137 116.963 115.700 0.210 0.000 2.576 97 S HA 0.352 4.822 4.470 0.001 0.000 0.276 97 S C 0.067 174.706 174.600 0.066 0.000 1.339 97 S CA -0.583 57.673 58.200 0.092 0.000 1.039 97 S CB 0.186 63.422 63.200 0.060 0.000 0.902 97 S HN 0.308 nan 8.310 nan 0.000 0.516 98 I N 3.958 124.540 120.570 0.020 0.000 2.587 98 I HA 0.117 4.288 4.170 0.001 0.000 0.284 98 I C 0.458 176.558 176.117 -0.027 0.000 1.134 98 I CA 0.300 61.592 61.300 -0.012 0.000 1.410 98 I CB -0.408 37.573 38.000 -0.031 0.000 1.392 98 I HN 0.538 nan 8.210 nan 0.000 0.545 99 I N 2.928 123.472 120.570 -0.044 0.000 3.170 99 I HA 0.765 4.935 4.170 0.001 0.000 0.312 99 I C -1.093 174.968 176.117 -0.093 0.000 1.085 99 I CA -0.736 60.528 61.300 -0.059 0.000 0.999 99 I CB 2.336 40.303 38.000 -0.055 0.000 1.233 99 I HN 0.343 nan 8.210 nan 0.000 0.467 100 D N 0.452 120.797 120.400 -0.091 0.000 2.661 100 D HA 0.527 5.167 4.640 0.001 0.000 0.228 100 D C -1.559 174.691 176.300 -0.083 0.000 1.183 100 D CA -0.056 53.880 54.000 -0.107 0.000 0.844 100 D CB 2.763 43.503 40.800 -0.101 0.000 1.555 100 D HN 0.787 nan 8.370 nan 0.000 0.453 101 T N 0.855 115.358 114.554 -0.084 0.000 2.921 101 T HA 0.710 5.060 4.350 0.001 0.000 0.297 101 T C -1.074 173.598 174.700 -0.047 0.000 1.013 101 T CA -0.239 61.824 62.100 -0.062 0.000 0.990 101 T CB -0.170 68.661 68.868 -0.062 0.000 1.023 101 T HN 0.740 nan 8.240 nan 0.000 0.447 102 C N 1.964 121.242 119.300 -0.037 0.000 3.249 102 C HA 0.896 5.357 4.460 0.001 0.000 0.358 102 C C 0.280 175.249 174.990 -0.034 0.000 1.187 102 C CA -0.509 58.495 59.018 -0.022 0.000 1.170 102 C CB 0.567 28.306 27.740 -0.001 0.000 1.478 102 C HN 1.163 nan 8.230 nan 0.000 0.508 103 G N 0.580 109.359 108.800 -0.034 0.000 2.521 103 G HA2 0.807 4.767 3.960 0.001 0.000 0.323 103 G HA3 0.807 4.767 3.960 0.001 0.000 0.323 103 G C -0.255 174.640 174.900 -0.008 0.000 1.211 103 G CA 0.069 45.130 45.100 -0.065 0.000 0.979 103 G HN 1.749 nan 8.290 nan 0.000 0.490 104 T N -1.541 113.014 114.554 0.002 0.000 2.756 104 T HA 0.629 4.980 4.350 0.001 0.000 0.290 104 T C 0.672 175.507 174.700 0.225 0.000 0.985 104 T CA -0.108 62.048 62.100 0.092 0.000 0.955 104 T CB 1.233 70.158 68.868 0.096 0.000 0.930 104 T HN 0.754 nan 8.240 nan 0.000 0.451 110 S N 2.042 117.794 115.700 0.087 0.000 2.496 110 S HA 0.192 4.662 4.470 0.001 0.000 0.224 110 S C 0.936 175.577 174.600 0.068 0.000 0.996 110 S CA 1.157 59.397 58.200 0.066 0.000 0.927 110 S CB -0.671 62.564 63.200 0.059 0.000 0.774 110 S HN 0.974 nan 8.310 nan 0.000 0.524 111 T N -0.035 114.549 114.554 0.049 0.000 2.936 111 T HA 0.612 4.962 4.350 0.001 0.000 0.282 111 T C 0.296 175.032 174.700 0.059 0.000 1.003 111 T CA -1.009 61.106 62.100 0.025 0.000 1.005 111 T CB 0.498 69.297 68.868 -0.114 0.000 1.097 111 T HN 0.360 nan 8.240 nan 0.000 0.532 112 F N 0.387 120.362 119.950 0.042 0.000 2.380 112 F HA 0.382 4.909 4.527 0.001 0.000 0.295 112 F C 0.376 176.213 175.800 0.062 0.000 1.292 112 F CA -1.170 56.859 58.000 0.048 0.000 1.248 112 F CB -0.518 38.507 39.000 0.042 0.000 1.338 112 F HN 0.527 nan 8.300 nan 0.000 0.524 113 N N 0.981 119.826 118.700 0.241 0.000 3.178 113 N HA 0.230 4.971 4.740 0.001 0.000 0.300 113 N C 0.860 176.401 175.510 0.052 0.000 1.242 113 N CA -0.067 53.057 53.050 0.123 0.000 1.192 113 N CB -0.162 38.449 38.487 0.206 0.000 1.463 113 N HN 0.540 nan 8.380 nan 0.000 0.539 114 I N -0.086 120.316 120.570 -0.281 0.000 2.226 114 I HA -0.308 3.862 4.170 0.001 0.000 0.245 114 I C 2.343 178.437 176.117 -0.039 0.000 1.100 114 I CA 1.105 62.227 61.300 -0.296 0.000 1.374 114 I CB -0.241 37.463 38.000 -0.494 0.000 1.057 114 I HN 0.475 nan 8.210 nan 0.000 0.413 115 S N -0.463 115.226 115.700 -0.019 0.000 2.423 115 S HA -0.134 4.337 4.470 0.001 0.000 0.231 115 S C 1.939 176.600 174.600 0.100 0.000 1.014 115 S CA 1.503 59.715 58.200 0.020 0.000 0.965 115 S CB -0.733 62.468 63.200 0.001 0.000 0.785 115 S HN 0.353 nan 8.310 nan 0.000 0.495 116 T N 2.639 117.305 114.554 0.188 0.000 2.737 116 T HA 0.117 4.468 4.350 0.001 0.000 0.265 116 T C 2.248 177.187 174.700 0.398 0.000 1.038 116 T CA 1.364 63.667 62.100 0.338 0.000 1.144 116 T CB -0.836 68.254 68.868 0.369 0.000 0.866 116 T HN 0.630 nan 8.240 nan 0.000 0.434 117 A N 1.023 124.059 122.820 0.360 0.000 1.908 117 A HA -0.076 4.244 4.320 0.001 0.000 0.218 117 A C 2.569 180.322 177.584 0.282 0.000 1.181 117 A CA 1.460 53.724 52.037 0.379 0.000 0.627 117 A CB -1.081 18.137 19.000 0.363 0.000 0.818 117 A HN 0.355 nan 8.150 nan 0.000 0.445 118 V N -0.176 119.837 119.914 0.165 0.000 2.407 118 V HA -0.254 3.867 4.120 0.001 0.000 0.248 118 V C 3.035 179.158 176.094 0.048 0.000 1.055 118 V CA 1.874 64.225 62.300 0.086 0.000 1.049 118 V CB -1.232 30.606 31.823 0.026 0.000 0.662 118 V HN 0.634 nan 8.190 nan 0.000 0.455 119 A N -0.307 122.516 122.820 0.005 0.000 1.877 119 A HA -0.195 4.125 4.320 0.001 0.000 0.216 119 A C 2.006 179.490 177.584 -0.166 0.000 1.186 119 A CA 1.916 53.857 52.037 -0.161 0.000 0.620 119 A CB -0.721 18.081 19.000 -0.331 0.000 0.822 119 A HN 0.474 nan 8.150 nan 0.000 0.443 120 F N -0.339 119.679 119.950 0.113 0.000 2.234 120 F HA -0.092 4.436 4.527 0.001 0.000 0.299 120 F C 2.397 178.254 175.800 0.094 0.000 1.087 120 F CA 1.122 59.191 58.000 0.114 0.000 1.340 120 F CB -0.565 38.532 39.000 0.162 0.000 1.031 120 F HN 0.018 nan 8.300 nan 0.000 0.500 121 V N -0.067 119.996 119.914 0.250 0.000 2.295 121 V HA -0.312 3.809 4.120 0.001 0.000 0.246 121 V C 2.600 178.761 176.094 0.112 0.000 1.049 121 V CA 1.865 64.262 62.300 0.163 0.000 1.024 121 V CB -1.324 30.568 31.823 0.114 0.000 0.648 121 V HN 0.345 nan 8.190 nan 0.000 0.447 122 A N -0.055 122.798 122.820 0.055 0.000 1.877 122 A HA -0.132 4.189 4.320 0.001 0.000 0.216 122 A C 2.417 180.043 177.584 0.070 0.000 1.186 122 A CA 2.190 54.240 52.037 0.022 0.000 0.620 122 A CB -0.857 18.118 19.000 -0.040 0.000 0.822 122 A HN 0.581 nan 8.150 nan 0.000 0.443 123 A N -0.181 122.667 122.820 0.047 0.000 1.933 123 A HA 0.166 4.486 4.320 0.001 0.000 0.218 123 A C 2.482 180.136 177.584 0.117 0.000 1.175 123 A CA 2.018 54.088 52.037 0.055 0.000 0.628 123 A CB -1.001 18.003 19.000 0.006 0.000 0.814 123 A HN 1.116 nan 8.150 nan 0.000 0.444 124 A N -1.853 121.064 122.820 0.161 0.000 1.978 124 A HA -0.163 4.157 4.320 0.001 0.000 0.220 124 A C 2.043 179.735 177.584 0.179 0.000 1.170 124 A CA 1.638 53.774 52.037 0.164 0.000 0.636 124 A CB -0.709 18.398 19.000 0.180 0.000 0.810 124 A HN 0.669 nan 8.150 nan 0.000 0.448 125 Y N -0.192 120.139 120.300 0.053 0.000 2.583 125 Y HA 0.247 4.798 4.550 0.001 0.000 0.293 125 Y C 1.648 177.626 175.900 0.130 0.000 1.157 125 Y CA 0.682 58.813 58.100 0.052 0.000 1.315 125 Y CB -0.071 38.372 38.460 -0.029 0.000 1.021 125 Y HN 0.481 nan 8.280 nan 0.000 0.536 126 G N -0.454 108.431 108.800 0.143 0.000 2.163 126 G HA2 -0.215 3.746 3.960 0.001 0.000 0.213 126 G HA3 -0.215 3.746 3.960 0.001 0.000 0.213 126 G C -0.351 174.726 174.900 0.295 0.000 0.991 126 G CA 0.064 45.259 45.100 0.158 0.000 0.653 126 G HN 0.159 nan 8.290 nan 0.000 0.518 127 V N 2.185 122.247 119.914 0.247 0.000 2.508 127 V HA 0.417 4.538 4.120 0.001 0.000 0.281 127 V C -1.581 174.564 176.094 0.085 0.000 1.041 127 V CA -1.291 61.128 62.300 0.199 0.000 1.016 127 V CB 1.219 33.073 31.823 0.050 0.000 0.984 127 V HN 0.175 nan 8.190 nan 0.000 0.478 128 P HA 0.234 nan 4.420 nan 0.000 0.276 128 P C -0.785 176.480 177.300 -0.059 0.000 1.253 128 P CA -0.041 63.052 63.100 -0.012 0.000 0.766 128 P CB 0.723 32.417 31.700 -0.010 0.000 0.845 129 V N 3.445 123.285 119.914 -0.123 0.000 2.409 129 V HA 0.569 4.689 4.120 0.001 0.000 0.291 129 V C 0.505 176.450 176.094 -0.249 0.000 1.020 129 V CA -0.813 61.372 62.300 -0.192 0.000 0.848 129 V CB 1.466 33.129 31.823 -0.266 0.000 0.990 129 V HN 0.572 nan 8.190 nan 0.000 0.430 130 A N 4.813 127.506 122.820 -0.212 0.000 2.838 130 A HA 0.406 4.727 4.320 0.001 0.000 0.337 130 A C 0.211 177.648 177.584 -0.245 0.000 1.383 130 A CA -0.407 51.502 52.037 -0.214 0.000 0.985 130 A CB -0.096 18.817 19.000 -0.145 0.000 1.157 130 A HN 0.683 nan 8.150 nan 0.000 0.497 131 K N 1.521 121.685 120.400 -0.394 0.000 2.312 131 K HA 0.163 4.484 4.320 0.001 0.000 0.287 131 K C -0.874 175.601 176.600 -0.209 0.000 1.062 131 K CA -0.354 55.717 56.287 -0.360 0.000 0.934 131 K CB 0.226 32.344 32.500 -0.637 0.000 1.027 131 K HN 0.758 nan 8.250 nan 0.000 0.478 132 H N 1.290 120.219 119.070 -0.234 0.000 2.502 132 H HA 0.478 5.035 4.556 0.001 0.000 0.327 132 H C -0.125 175.041 175.328 -0.270 0.000 1.099 132 H CA 0.113 56.026 56.048 -0.225 0.000 1.323 132 H CB 1.452 31.136 29.762 -0.131 0.000 1.450 132 H HN 0.823 nan 8.280 nan 0.000 0.502 133 G N 3.016 111.445 108.800 -0.618 0.000 2.708 133 G HA2 0.370 4.330 3.960 0.001 0.000 0.289 133 G HA3 0.370 4.330 3.960 0.001 0.000 0.289 133 G C -1.301 173.400 174.900 -0.331 0.000 1.416 133 G CA -0.670 44.051 45.100 -0.631 0.000 0.829 133 G HN 0.663 nan 8.290 nan 0.000 0.480 134 N N -1.202 117.647 118.700 0.248 0.000 2.825 134 N HA 0.422 5.162 4.740 0.001 0.000 0.253 134 N C -0.462 175.256 175.510 0.346 0.000 1.426 134 N CA -0.766 52.520 53.050 0.393 0.000 0.851 134 N CB 2.756 41.314 38.487 0.117 0.000 1.470 134 N HN 0.575 nan 8.380 nan 0.000 0.517 135 R N -0.458 120.132 120.500 0.150 0.000 2.668 135 R HA 0.531 4.871 4.340 0.001 0.000 0.268 135 R C -0.242 176.086 176.300 0.047 0.000 1.232 135 R CA -0.150 55.969 56.100 0.033 0.000 1.166 135 R CB 0.272 30.557 30.300 -0.025 0.000 1.179 135 R HN 0.529 nan 8.270 nan 0.000 0.606 136 S N -0.208 115.504 115.700 0.021 0.000 2.549 136 S HA 0.357 4.828 4.470 0.001 0.000 0.297 136 S C 0.479 175.080 174.600 0.002 0.000 1.115 136 S CA -0.403 57.807 58.200 0.018 0.000 1.059 136 S CB 1.883 65.094 63.200 0.018 0.000 1.046 136 S HN 0.721 nan 8.310 nan 0.000 0.506 137 A N 1.895 124.714 122.820 -0.001 0.000 2.015 137 A HA 0.321 4.642 4.320 0.001 0.000 0.219 137 A C 0.959 178.537 177.584 -0.010 0.000 1.163 137 A CA 0.989 53.020 52.037 -0.010 0.000 0.646 137 A CB -0.508 18.484 19.000 -0.014 0.000 0.806 137 A HN 0.967 nan 8.150 nan 0.000 0.448 141 T N -1.057 113.509 114.554 0.020 0.000 3.122 141 T HA 0.507 4.857 4.350 0.001 0.000 0.250 141 T C 0.851 175.581 174.700 0.050 0.000 1.067 141 T CA 0.355 62.478 62.100 0.037 0.000 0.966 141 T CB -0.842 68.055 68.868 0.048 0.000 1.002 141 T HN 0.913 nan 8.240 nan 0.000 0.542 142 G N 0.720 109.544 108.800 0.040 0.000 2.527 142 G HA2 0.333 4.293 3.960 0.001 0.000 0.248 142 G HA3 0.333 4.293 3.960 0.001 0.000 0.248 142 G C 0.976 175.915 174.900 0.064 0.000 1.231 142 G CA -0.017 45.120 45.100 0.063 0.000 0.838 142 G HN 0.176 nan 8.290 nan 0.000 0.570 143 S N 1.335 117.111 115.700 0.126 0.000 2.407 143 S HA -0.339 4.132 4.470 0.001 0.000 0.244 143 S C 2.726 177.349 174.600 0.038 0.000 1.077 143 S CA 2.716 61.017 58.200 0.168 0.000 1.159 143 S CB -0.623 62.772 63.200 0.326 0.000 1.045 143 S HN 1.101 nan 8.310 nan 0.000 0.438 144 A N 1.370 124.131 122.820 -0.098 0.000 1.865 144 A HA -0.155 4.166 4.320 0.001 0.000 0.217 144 A C 1.966 179.337 177.584 -0.355 0.000 1.191 144 A CA 1.972 53.613 52.037 -0.660 0.000 0.623 144 A CB -1.023 17.396 19.000 -0.969 0.000 0.826 144 A HN 0.707 nan 8.150 nan 0.000 0.444 145 D N -0.384 119.901 120.400 -0.192 0.000 2.178 145 D HA -0.081 4.559 4.640 0.001 0.000 0.202 145 D C 2.050 178.303 176.300 -0.079 0.000 0.974 145 D CA 1.404 55.330 54.000 -0.123 0.000 0.841 145 D CB -0.202 40.554 40.800 -0.073 0.000 0.953 145 D HN 0.254 nan 8.370 nan 0.000 0.478 146 V N 1.391 121.277 119.914 -0.046 0.000 2.358 146 V HA -0.185 3.935 4.120 0.001 0.000 0.246 146 V C 2.638 178.720 176.094 -0.019 0.000 1.047 146 V CA 0.982 63.280 62.300 -0.004 0.000 1.035 146 V CB -0.350 31.502 31.823 0.049 0.000 0.658 146 V HN 0.163 nan 8.190 nan 0.000 0.452 147 L N -0.472 120.706 121.223 -0.074 0.000 2.056 147 L HA -0.158 4.182 4.340 0.001 0.000 0.207 147 L C 2.610 179.422 176.870 -0.096 0.000 1.078 147 L CA 1.548 56.325 54.840 -0.106 0.000 0.749 147 L CB -0.571 41.342 42.059 -0.244 0.000 0.901 147 L HN 0.376 nan 8.230 nan 0.000 0.433 148 E N 0.164 120.288 120.200 -0.127 0.000 2.077 148 E HA -0.228 4.122 4.350 0.001 0.000 0.193 148 E C 2.294 178.864 176.600 -0.050 0.000 0.989 148 E CA 1.149 57.492 56.400 -0.095 0.000 0.800 148 E CB -0.138 29.491 29.700 -0.119 0.000 0.746 148 E HN 0.498 nan 8.360 nan 0.000 0.452 149 A N 1.124 123.921 122.820 -0.038 0.000 1.978 149 A HA -0.151 4.169 4.320 0.001 0.000 0.220 149 A C 2.089 179.683 177.584 0.016 0.000 1.170 149 A CA 1.064 53.096 52.037 -0.010 0.000 0.636 149 A CB -0.471 18.527 19.000 -0.003 0.000 0.810 149 A HN 0.156 nan 8.150 nan 0.000 0.448 150 L N -1.876 119.362 121.223 0.025 0.000 2.554 150 L HA 0.201 4.541 4.340 0.001 0.000 0.226 150 L C 1.637 178.526 176.870 0.031 0.000 1.137 150 L CA 0.606 55.485 54.840 0.064 0.000 0.863 150 L CB 0.034 42.147 42.059 0.090 0.000 0.985 150 L HN 0.603 nan 8.230 nan 0.000 0.451 151 G N -0.625 108.176 108.800 0.001 0.000 2.192 151 G HA2 -0.204 3.757 3.960 0.001 0.000 0.193 151 G HA3 -0.204 3.757 3.960 0.001 0.000 0.193 151 G C 0.128 175.020 174.900 -0.014 0.000 0.999 151 G CA -0.338 44.759 45.100 -0.005 0.000 0.659 151 G HN 0.001 nan 8.290 nan 0.000 0.503 152 V N 1.998 121.899 119.914 -0.022 0.000 2.446 152 V HA 0.286 4.407 4.120 0.001 0.000 0.276 152 V C 0.794 176.880 176.094 -0.013 0.000 1.030 152 V CA -0.078 62.222 62.300 -0.001 0.000 1.033 152 V CB 1.165 32.983 31.823 -0.008 0.000 0.993 152 V HN 0.446 nan 8.190 nan 0.000 0.477 153 N N 5.691 124.395 118.700 0.007 0.000 2.421 153 N HA 0.139 4.879 4.740 0.001 0.000 0.260 153 N C 0.641 176.161 175.510 0.016 0.000 1.173 153 N CA 0.084 53.130 53.050 -0.006 0.000 0.960 153 N CB 0.398 38.875 38.487 -0.016 0.000 1.273 153 N HN 0.668 nan 8.380 nan 0.000 0.497 154 L N 1.756 122.969 121.223 -0.016 0.000 2.552 154 L HA 0.137 4.478 4.340 0.001 0.000 0.227 154 L C 1.932 178.815 176.870 0.022 0.000 1.146 154 L CA 0.394 55.235 54.840 0.001 0.000 0.858 154 L CB -0.111 41.861 42.059 -0.145 0.000 0.969 154 L HN 0.568 nan 8.230 nan 0.000 0.451 155 G N 0.269 109.070 108.800 0.002 0.000 2.776 155 G HA2 0.140 4.100 3.960 0.001 0.000 0.209 155 G HA3 0.140 4.100 3.960 0.001 0.000 0.209 155 G C 0.853 175.767 174.900 0.024 0.000 1.145 155 G CA 0.320 45.425 45.100 0.009 0.000 0.791 155 G HN 0.363 nan 8.290 nan 0.000 0.530 156 A N 0.672 123.517 122.820 0.041 0.000 2.466 156 A HA 0.516 4.836 4.320 0.001 0.000 0.238 156 A C 1.039 178.656 177.584 0.055 0.000 1.074 156 A CA 0.272 52.334 52.037 0.041 0.000 0.774 156 A CB 0.230 19.266 19.000 0.061 0.000 1.015 156 A HN 0.718 nan 8.150 nan 0.000 0.498 157 S N 1.815 117.538 115.700 0.038 0.000 2.601 157 S HA 0.393 4.864 4.470 0.001 0.000 0.271 157 S C -2.078 172.560 174.600 0.062 0.000 1.305 157 S CA -0.943 57.282 58.200 0.042 0.000 1.022 157 S CB 0.683 63.895 63.200 0.021 0.000 0.940 157 S HN 0.478 nan 8.310 nan 0.000 0.525 158 P HA -0.043 nan 4.420 nan 0.000 0.216 158 P C 1.823 179.165 177.300 0.070 0.000 1.150 158 P CA 2.054 65.196 63.100 0.070 0.000 0.837 158 P CB -0.325 31.409 31.700 0.057 0.000 0.786 159 E N 0.352 120.587 120.200 0.059 0.000 2.085 159 E HA -0.249 4.101 4.350 0.001 0.000 0.194 159 E C 2.159 178.816 176.600 0.094 0.000 0.994 159 E CA 2.410 58.847 56.400 0.062 0.000 0.801 159 E CB -1.719 nan 29.700 nan 0.000 0.743 159 E HN 0.397 nan 8.360 nan 0.000 0.453 160 K N 0.250 120.706 120.400 0.094 0.000 2.098 160 K HA 0.288 4.609 4.320 0.001 0.000 0.203 160 K C 2.592 179.342 176.600 0.249 0.000 1.051 160 K CA 0.948 57.321 56.287 0.143 0.000 0.957 160 K CB -0.959 31.551 32.500 0.016 0.000 0.738 160 K HN 0.303 nan 8.250 nan 0.000 0.447 161 V N 1.548 121.569 119.914 0.178 0.000 2.231 161 V HA -0.367 3.753 4.120 0.001 0.000 0.248 161 V C 3.335 179.515 176.094 0.142 0.000 1.054 161 V CA 3.105 65.513 62.300 0.180 0.000 1.015 161 V CB -1.141 30.773 31.823 0.151 0.000 0.638 161 V HN 0.805 nan 8.190 nan 0.000 0.444 162 Q N -0.561 119.303 119.800 0.107 0.000 2.112 162 Q HA -0.267 4.073 4.340 0.001 0.000 0.206 162 Q C 2.250 178.299 176.000 0.083 0.000 0.987 162 Q CA 2.897 58.744 55.803 0.073 0.000 0.858 162 Q CB -1.263 nan 28.738 nan 0.000 0.905 162 Q HN 0.807 nan 8.270 nan 0.000 0.420 163 A N 0.718 123.629 122.820 0.152 0.000 1.933 163 A HA 0.227 4.548 4.320 0.001 0.000 0.218 163 A C 2.742 180.362 177.584 0.059 0.000 1.175 163 A CA 2.144 54.292 52.037 0.186 0.000 0.628 163 A CB -0.821 18.399 19.000 0.367 0.000 0.814 163 A HN 1.212 nan 8.150 nan 0.000 0.444 164 A N -0.403 122.471 122.820 0.091 0.000 1.933 164 A HA -0.058 4.262 4.320 0.001 0.000 0.218 164 A C 2.091 179.556 177.584 -0.199 0.000 1.175 164 A CA 1.699 53.586 52.037 -0.249 0.000 0.628 164 A CB -0.612 18.426 19.000 0.063 0.000 0.814 164 A HN 0.692 nan 8.150 nan 0.000 0.444 165 L N -0.435 120.735 121.223 -0.088 0.000 2.043 165 L HA -0.234 4.106 4.340 0.001 0.000 0.212 165 L C 2.426 179.236 176.870 -0.099 0.000 1.075 165 L CA 2.291 57.076 54.840 -0.092 0.000 0.752 165 L CB -0.547 41.474 42.059 -0.063 0.000 0.891 165 L HN 0.415 nan 8.230 nan 0.000 0.432 166 Q N -0.941 118.806 119.800 -0.090 0.000 2.083 166 Q HA -0.196 4.144 4.340 0.001 0.000 0.198 166 Q C 2.166 178.096 176.000 -0.116 0.000 0.969 166 Q CA 1.759 57.515 55.803 -0.077 0.000 0.838 166 Q CB 0.136 28.851 28.738 -0.039 0.000 0.900 166 Q HN 0.637 nan 8.270 nan 0.000 0.436 167 E N -0.591 119.482 120.200 -0.212 0.000 2.251 167 E HA -0.022 4.329 4.350 0.001 0.000 0.194 167 E C 1.589 177.999 176.600 -0.317 0.000 0.964 167 E CA 0.324 56.559 56.400 -0.274 0.000 0.868 167 E CB 0.615 30.078 29.700 -0.394 0.000 0.828 167 E HN 0.013 nan 8.360 nan 0.000 0.481 168 V N -1.228 118.464 119.914 -0.371 0.000 3.379 168 V HA 0.319 4.439 4.120 0.001 0.000 0.249 168 V C 1.441 177.466 176.094 -0.114 0.000 1.184 168 V CA 0.659 62.818 62.300 -0.234 0.000 1.106 168 V CB 0.745 32.419 31.823 -0.249 0.000 0.826 168 V HN 0.438 nan 8.190 nan 0.000 0.465 169 G N 0.930 109.657 108.800 -0.122 0.000 2.157 169 G HA2 -0.243 3.717 3.960 0.001 0.000 0.239 169 G HA3 -0.243 3.717 3.960 0.001 0.000 0.239 169 G C -0.128 174.716 174.900 -0.094 0.000 0.982 169 G CA 0.415 45.469 45.100 -0.077 0.000 0.650 169 G HN 0.566 nan 8.290 nan 0.000 0.527 170 I N 0.040 120.538 120.570 -0.120 0.000 2.785 170 I HA 0.654 4.824 4.170 0.001 0.000 0.293 170 I C -0.943 175.067 176.117 -0.178 0.000 1.446 170 I CA -0.181 60.990 61.300 -0.215 0.000 1.028 170 I CB 1.941 39.766 38.000 -0.293 0.000 1.349 170 I HN 0.120 nan 8.210 nan 0.000 0.438 171 T N 5.189 119.578 114.554 -0.276 0.000 2.894 171 T HA 0.544 4.894 4.350 0.001 0.000 0.309 171 T C -1.222 173.268 174.700 -0.349 0.000 1.208 171 T CA -0.433 61.584 62.100 -0.137 0.000 1.016 171 T CB 1.323 70.185 68.868 -0.011 0.000 1.192 171 T HN 0.265 nan 8.240 nan 0.000 0.491 172 F N 1.498 121.464 119.950 0.026 0.000 2.411 172 F HA 0.532 5.059 4.527 0.001 0.000 0.352 172 F C -0.015 175.756 175.800 -0.048 0.000 1.123 172 F CA -1.093 56.874 58.000 -0.055 0.000 1.044 172 F CB 1.008 40.087 39.000 0.132 0.000 1.135 172 F HN 0.222 nan 8.300 nan 0.000 0.461 173 L N 4.953 126.150 121.223 -0.044 0.000 2.288 173 L HA 0.302 4.642 4.340 0.001 0.000 0.283 173 L C -0.854 175.940 176.870 -0.127 0.000 1.072 173 L CA -0.223 54.644 54.840 0.046 0.000 0.862 173 L CB 0.048 42.222 42.059 0.193 0.000 1.245 173 L HN 0.524 nan 8.230 nan 0.000 0.432 174 F N 2.607 122.622 119.950 0.108 0.000 2.395 174 F HA 0.380 4.907 4.527 0.001 0.000 0.347 174 F C 1.057 176.864 175.800 0.012 0.000 1.157 174 F CA -0.588 57.433 58.000 0.035 0.000 1.272 174 F CB 0.558 39.587 39.000 0.048 0.000 1.607 174 F HN 0.466 nan 8.300 nan 0.000 0.571 175 A N 3.587 126.447 122.820 0.066 0.000 2.488 175 A HA 0.409 4.729 4.320 0.001 0.000 0.249 175 A C -1.844 175.774 177.584 0.058 0.000 1.083 175 A CA -1.103 50.971 52.037 0.062 0.000 0.768 175 A CB -0.329 18.699 19.000 0.046 0.000 1.017 175 A HN 0.356 nan 8.150 nan 0.000 0.496 181 A N -0.139 122.705 122.820 0.039 0.000 2.631 181 A HA 0.293 4.614 4.320 0.001 0.000 0.258 181 A C 0.934 178.529 177.584 0.019 0.000 1.027 181 A CA -0.162 51.895 52.037 0.033 0.000 1.015 181 A CB -0.048 18.980 19.000 0.048 0.000 1.206 181 A HN 0.125 nan 8.150 nan 0.000 0.556 182 L N -0.258 120.964 121.223 -0.001 0.000 2.610 182 L HA -0.023 4.318 4.340 0.001 0.000 0.232 182 L C 2.829 179.646 176.870 -0.088 0.000 1.149 182 L CA 0.847 55.652 54.840 -0.058 0.000 0.872 182 L CB -0.359 41.651 42.059 -0.081 0.000 0.992 182 L HN 0.550 nan 8.230 nan 0.000 0.447 183 K N 0.861 121.232 120.400 -0.048 0.000 2.089 183 K HA -0.241 4.080 4.320 0.001 0.000 0.210 183 K C 2.218 178.780 176.600 -0.064 0.000 1.048 183 K CA 1.655 57.913 56.287 -0.049 0.000 0.926 183 K CB -1.197 31.290 32.500 -0.023 0.000 0.714 183 K HN 0.439 nan 8.250 nan 0.000 0.448 184 A N 0.831 123.623 122.820 -0.047 0.000 1.881 184 A HA -0.152 4.169 4.320 0.001 0.000 0.219 184 A C 2.515 180.039 177.584 -0.100 0.000 1.215 184 A CA 3.296 55.307 52.037 -0.043 0.000 0.648 184 A CB -1.062 17.936 19.000 -0.003 0.000 0.832 184 A HN 1.265 nan 8.150 nan 0.000 0.455 185 V N -3.526 116.277 119.914 -0.185 0.000 3.633 185 V HA 0.546 4.667 4.120 0.001 0.000 0.283 185 V C 1.968 177.864 176.094 -0.330 0.000 1.305 185 V CA 0.706 62.808 62.300 -0.330 0.000 1.153 185 V CB -1.054 30.400 31.823 -0.615 0.000 0.950 185 V HN 0.609 nan 8.190 nan 0.000 0.432 186 A N 1.682 124.371 122.820 -0.218 0.000 1.858 186 A HA -0.148 4.172 4.320 0.001 0.000 0.216 186 A C 2.320 179.814 177.584 -0.150 0.000 1.190 186 A CA 2.702 54.634 52.037 -0.175 0.000 0.617 186 A CB -1.332 17.600 19.000 -0.114 0.000 0.827 186 A HN 0.528 nan 8.150 nan 0.000 0.443 187 T N 0.133 114.616 114.554 -0.119 0.000 2.737 187 T HA -0.189 4.162 4.350 0.001 0.000 0.269 187 T C 1.805 176.437 174.700 -0.112 0.000 1.040 187 T CA 1.683 63.727 62.100 -0.094 0.000 1.142 187 T CB -0.395 68.431 68.868 -0.070 0.000 0.861 187 T HN 0.369 nan 8.240 nan 0.000 0.456 188 L N 1.016 122.142 121.223 -0.162 0.000 2.007 188 L HA 0.080 4.421 4.340 0.001 0.000 0.205 188 L C 2.523 179.286 176.870 -0.179 0.000 1.073 188 L CA 1.626 56.361 54.840 -0.176 0.000 0.744 188 L CB -0.433 41.469 42.059 -0.261 0.000 0.898 188 L HN -0.040 nan 8.230 nan 0.000 0.435 189 R N -0.473 119.877 120.500 -0.251 0.000 2.105 189 R HA -0.200 4.140 4.340 0.001 0.000 0.239 189 R C 2.423 178.647 176.300 -0.128 0.000 1.135 189 R CA 1.595 57.565 56.100 -0.216 0.000 0.967 189 R CB -0.485 29.639 30.300 -0.294 0.000 0.861 189 R HN 0.298 nan 8.270 nan 0.000 0.442 190 R N 0.657 121.087 120.500 -0.117 0.000 2.075 190 R HA -0.025 4.316 4.340 0.001 0.000 0.226 190 R C 2.297 178.561 176.300 -0.060 0.000 1.114 190 R CA 2.321 58.374 56.100 -0.079 0.000 0.972 190 R CB -1.142 29.114 30.300 -0.073 0.000 0.869 190 R HN 0.314 nan 8.270 nan 0.000 0.437 191 T N 0.316 114.832 114.554 -0.062 0.000 2.720 191 T HA -0.095 4.255 4.350 0.001 0.000 0.268 191 T C 1.860 176.539 174.700 -0.035 0.000 1.037 191 T CA 1.752 63.826 62.100 -0.044 0.000 1.144 191 T CB -0.317 68.525 68.868 -0.043 0.000 0.864 191 T HN 0.217 nan 8.240 nan 0.000 0.444 192 L N -1.426 119.771 121.223 -0.043 0.000 2.162 192 L HA 0.020 4.360 4.340 0.001 0.000 0.205 192 L C 2.115 178.971 176.870 -0.023 0.000 1.086 192 L CA 0.441 55.265 54.840 -0.026 0.000 0.778 192 L CB 0.068 42.110 42.059 -0.027 0.000 0.928 192 L HN 0.308 nan 8.230 nan 0.000 0.446 193 R N -0.603 119.876 120.500 -0.035 0.000 2.902 193 R HA -0.231 4.109 4.340 0.001 0.000 0.237 193 R C 0.754 177.038 176.300 -0.026 0.000 0.777 193 R CA 1.899 57.981 56.100 -0.031 0.000 1.747 193 R CB -2.189 28.096 30.300 -0.024 0.000 1.248 193 R HN 0.490 nan 8.270 nan 0.000 0.577 194 I N 1.668 122.226 120.570 -0.020 0.000 3.112 194 I HA 0.138 4.309 4.170 0.001 0.000 0.284 194 I C 0.746 176.854 176.117 -0.016 0.000 1.227 194 I CA -0.185 61.102 61.300 -0.021 0.000 1.369 194 I CB 0.268 38.257 38.000 -0.019 0.000 1.376 194 I HN -0.012 nan 8.210 nan 0.000 0.608 195 R N 2.530 123.018 120.500 -0.020 0.000 2.537 195 R HA 0.275 4.615 4.340 0.001 0.000 0.280 195 R C 0.114 176.416 176.300 0.003 0.000 1.058 195 R CA 0.156 56.253 56.100 -0.004 0.000 1.057 195 R CB 0.604 30.896 30.300 -0.012 0.000 0.973 195 R HN 0.927 nan 8.270 nan 0.000 0.438 196 T N -2.559 112.016 114.554 0.036 0.000 2.773 196 T HA 0.113 4.464 4.350 0.001 0.000 0.278 196 T C 0.994 175.708 174.700 0.024 0.000 1.011 196 T CA -0.843 61.281 62.100 0.041 0.000 1.014 196 T CB 1.123 70.051 68.868 0.101 0.000 1.293 196 T HN 0.211 nan 8.240 nan 0.000 0.554 197 V N 0.093 119.983 119.914 -0.040 0.000 2.568 197 V HA -0.030 4.090 4.120 0.001 0.000 0.253 197 V C 1.973 177.986 176.094 -0.135 0.000 1.072 197 V CA 1.731 63.967 62.300 -0.107 0.000 1.084 197 V CB -1.383 30.342 31.823 -0.163 0.000 0.676 197 V HN 0.786 nan 8.190 nan 0.000 0.469 198 F N 0.943 120.869 119.950 -0.040 0.000 2.373 198 F HA -0.104 4.423 4.527 0.000 0.000 0.300 198 F C 1.975 177.766 175.800 -0.016 0.000 1.080 198 F CA 1.747 59.723 58.000 -0.040 0.000 1.417 198 F CB -0.811 38.132 39.000 -0.095 0.000 1.070 198 F HN 0.331 nan 8.300 nan 0.000 0.546 199 N N -0.057 118.728 118.700 0.142 0.000 2.331 199 N HA -0.044 4.696 4.740 0.001 0.000 0.180 199 N C 1.570 177.124 175.510 0.074 0.000 1.019 199 N CA 0.730 53.838 53.050 0.096 0.000 0.881 199 N CB -0.203 38.329 38.487 0.075 0.000 0.972 199 N HN 0.253 nan 8.380 nan 0.000 0.435 200 L N -0.287 120.964 121.223 0.047 0.000 2.529 200 L HA 0.171 4.512 4.340 0.001 0.000 0.223 200 L C 1.450 178.340 176.870 0.033 0.000 1.113 200 L CA 0.218 55.076 54.840 0.031 0.000 0.861 200 L CB 0.049 42.112 42.059 0.007 0.000 1.012 200 L HN 0.165 nan 8.230 nan 0.000 0.461 201 L N -0.702 120.547 121.223 0.043 0.000 2.313 201 L HA 0.018 4.358 4.340 0.001 0.000 0.214 201 L C 2.562 179.486 176.870 0.089 0.000 1.119 201 L CA 0.732 55.603 54.840 0.051 0.000 0.809 201 L CB -0.781 41.308 42.059 0.050 0.000 0.933 201 L HN 0.296 nan 8.230 nan 0.000 0.449 202 G N 1.590 110.457 108.800 0.111 0.000 2.586 202 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 202 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 202 G C -0.733 174.279 174.900 0.186 0.000 1.216 202 G CA 0.939 46.131 45.100 0.153 0.000 0.786 202 G HN 0.303 nan 8.290 nan 0.000 0.583 203 P HA 0.019 nan 4.420 nan 0.000 0.220 203 P C 1.798 179.105 177.300 0.012 0.000 1.148 203 P CA 0.687 63.825 63.100 0.065 0.000 0.803 203 P CB -0.083 31.636 31.700 0.031 0.000 0.782 204 L N -1.467 119.766 121.223 0.017 0.000 2.418 204 L HA 0.037 4.377 4.340 0.001 0.000 0.218 204 L C 0.825 177.680 176.870 -0.026 0.000 1.125 204 L CA 0.197 55.033 54.840 -0.007 0.000 0.835 204 L CB -0.209 41.853 42.059 0.005 0.000 0.953 204 L HN -0.123 nan 8.230 nan 0.000 0.454 205 V N -1.981 117.918 119.914 -0.024 0.000 2.275 205 V HA 0.487 4.608 4.120 0.001 0.000 0.272 205 V C -0.651 175.299 176.094 -0.240 0.000 1.028 205 V CA -0.576 61.689 62.300 -0.058 0.000 0.810 205 V CB 0.957 32.795 31.823 0.024 0.000 1.043 205 V HN 0.152 nan 8.190 nan 0.000 0.453 206 N N 7.004 125.551 118.700 -0.255 0.000 2.483 206 N HA 0.529 5.269 4.740 0.001 0.000 0.267 206 N C -1.845 173.534 175.510 -0.219 0.000 0.998 206 N CA -2.065 50.743 53.050 -0.402 0.000 0.918 206 N CB 3.025 41.305 38.487 -0.344 0.000 1.215 206 N HN 0.337 nan 8.380 nan 0.000 0.500 207 P HA -0.071 nan 4.420 nan 0.000 0.219 207 P C 1.129 178.390 177.300 -0.065 0.000 1.146 207 P CA 0.964 64.017 63.100 -0.080 0.000 0.808 207 P CB 0.574 32.254 31.700 -0.033 0.000 0.779 208 L N -1.389 119.784 121.223 -0.085 0.000 2.591 208 L HA 0.173 4.514 4.340 0.001 0.000 0.228 208 L C 0.441 177.268 176.870 -0.071 0.000 1.133 208 L CA -0.141 54.659 54.840 -0.066 0.000 0.880 208 L CB -0.651 41.367 42.059 -0.067 0.000 1.033 208 L HN -0.090 nan 8.230 nan 0.000 0.450 209 R N 0.096 120.545 120.500 -0.085 0.000 3.079 209 R HA -0.123 4.218 4.340 0.001 0.000 0.254 209 R C -2.315 173.948 176.300 -0.062 0.000 0.900 209 R CA -0.297 55.761 56.100 -0.069 0.000 0.641 209 R CB -1.530 28.742 30.300 -0.047 0.000 1.307 209 R HN 0.216 nan 8.270 nan 0.000 0.477 210 P HA 0.000 nan 4.420 nan 0.000 0.271 210 P C 0.804 178.077 177.300 -0.044 0.000 1.216 210 P CA 0.077 63.140 63.100 -0.061 0.000 0.776 210 P CB 1.092 32.746 31.700 -0.076 0.000 0.881 211 T N -1.005 113.531 114.554 -0.030 0.000 3.065 211 T HA 0.246 4.597 4.350 0.001 0.000 0.252 211 T C 0.955 175.645 174.700 -0.018 0.000 1.099 211 T CA 0.087 62.175 62.100 -0.021 0.000 1.063 211 T CB -0.255 68.607 68.868 -0.011 0.000 0.948 211 T HN 0.517 nan 8.240 nan 0.000 0.506 212 G N 0.280 109.068 108.800 -0.021 0.000 2.495 212 G HA2 0.651 4.611 3.960 0.001 0.000 0.318 212 G HA3 0.651 4.611 3.960 0.001 0.000 0.318 212 G C -1.512 173.368 174.900 -0.034 0.000 1.257 212 G CA -0.715 44.372 45.100 -0.022 0.000 0.962 212 G HN 0.314 nan 8.290 nan 0.000 0.483 213 Q N 0.226 120.006 119.800 -0.033 0.000 2.345 213 Q HA 0.463 4.804 4.340 0.001 0.000 0.275 213 Q C -1.320 174.659 176.000 -0.034 0.000 1.063 213 Q CA -0.809 54.971 55.803 -0.039 0.000 0.819 213 Q CB 3.390 32.105 28.738 -0.038 0.000 1.356 213 Q HN 0.390 nan 8.270 nan 0.000 0.418 214 V N 2.353 122.243 119.914 -0.040 0.000 2.370 214 V HA 0.474 4.594 4.120 0.001 0.000 0.283 214 V C -0.467 175.603 176.094 -0.039 0.000 1.023 214 V CA -0.611 61.666 62.300 -0.038 0.000 0.857 214 V CB 1.614 33.412 31.823 -0.043 0.000 0.985 214 V HN 0.496 nan 8.190 nan 0.000 0.443 215 V N 3.777 123.670 119.914 -0.035 0.000 2.483 215 V HA 0.681 4.802 4.120 0.001 0.000 0.297 215 V C 0.615 176.681 176.094 -0.046 0.000 1.027 215 V CA -0.470 61.809 62.300 -0.034 0.000 0.855 215 V CB 1.831 33.641 31.823 -0.022 0.000 0.995 215 V HN 0.935 nan 8.190 nan 0.000 0.424 216 G N 4.951 113.710 108.800 -0.069 0.000 2.338 216 G HA2 0.671 4.632 3.960 0.001 0.000 0.298 216 G HA3 0.671 4.632 3.960 0.001 0.000 0.298 216 G C -0.796 174.036 174.900 -0.113 0.000 1.140 216 G CA -0.402 44.633 45.100 -0.109 0.000 0.860 216 G HN 0.563 nan 8.290 nan 0.000 0.470 217 L N 1.234 122.406 121.223 -0.085 0.000 2.333 217 L HA 0.434 4.775 4.340 0.001 0.000 0.269 217 L C 0.120 176.978 176.870 -0.020 0.000 1.010 217 L CA -0.875 53.942 54.840 -0.038 0.000 0.818 217 L CB 2.143 44.198 42.059 -0.008 0.000 1.306 217 L HN 0.480 nan 8.230 nan 0.000 0.430 218 F N -0.161 119.831 119.950 0.070 0.000 2.765 218 F HA 0.110 4.638 4.527 0.001 0.000 0.302 218 F C 0.628 176.343 175.800 -0.142 0.000 1.111 218 F CA 0.167 58.218 58.000 0.084 0.000 1.359 218 F CB 0.434 39.466 39.000 0.055 0.000 1.097 218 F HN 0.309 nan 8.300 nan 0.000 0.577 219 T N 2.234 116.721 114.554 -0.113 0.000 2.890 219 T HA 0.201 4.551 4.350 0.001 0.000 0.295 219 T C -1.822 172.659 174.700 -0.365 0.000 0.993 219 T CA -1.237 60.695 62.100 -0.280 0.000 0.979 219 T CB 2.130 70.931 68.868 -0.111 0.000 0.967 219 T HN -0.198 nan 8.240 nan 0.000 0.441 220 P HA -0.011 nan 4.420 nan 0.000 0.226 220 P C 0.925 178.158 177.300 -0.111 0.000 1.153 220 P CA 0.664 63.609 63.100 -0.259 0.000 0.777 220 P CB 0.322 31.924 31.700 -0.163 0.000 0.794 221 K N -0.281 120.053 120.400 -0.110 0.000 2.365 221 K HA 0.071 4.391 4.320 0.001 0.000 0.199 221 K C 1.444 178.018 176.600 -0.042 0.000 1.045 221 K CA 0.702 56.954 56.287 -0.058 0.000 0.962 221 K CB -0.090 32.379 32.500 -0.051 0.000 0.759 221 K HN 0.278 nan 8.250 nan 0.000 0.469 222 L N 1.150 122.343 121.223 -0.050 0.000 2.965 222 L HA 0.167 4.508 4.340 0.001 0.000 0.254 222 L C 1.338 178.194 176.870 -0.023 0.000 1.220 222 L CA -0.171 54.650 54.840 -0.032 0.000 1.023 222 L CB 0.070 42.111 42.059 -0.030 0.000 1.355 222 L HN 0.061 nan 8.230 nan 0.000 0.545 223 L N -0.678 120.532 121.223 -0.021 0.000 2.023 223 L HA -0.120 4.220 4.340 0.001 0.000 0.205 223 L C 2.467 179.333 176.870 -0.006 0.000 1.073 223 L CA 1.463 56.298 54.840 -0.009 0.000 0.745 223 L CB -0.641 41.419 42.059 0.002 0.000 0.900 223 L HN 0.220 nan 8.230 nan 0.000 0.435 224 T N -1.055 113.496 114.554 -0.006 0.000 2.746 224 T HA -0.172 4.179 4.350 0.001 0.000 0.267 224 T C 1.907 176.604 174.700 -0.005 0.000 1.039 224 T CA 1.849 63.946 62.100 -0.004 0.000 1.142 224 T CB -0.181 68.686 68.868 -0.003 0.000 0.866 224 T HN 0.332 nan 8.240 nan 0.000 0.444 225 T N 1.646 116.195 114.554 -0.007 0.000 2.684 225 T HA -0.093 4.258 4.350 0.001 0.000 0.267 225 T C 2.099 176.794 174.700 -0.008 0.000 1.036 225 T CA 1.147 63.243 62.100 -0.007 0.000 1.148 225 T CB -0.471 68.392 68.868 -0.009 0.000 0.863 225 T HN 0.157 nan 8.240 nan 0.000 0.436 226 V N 1.445 121.353 119.914 -0.009 0.000 2.453 226 V HA -0.074 4.047 4.120 0.001 0.000 0.247 226 V C 2.842 178.932 176.094 -0.008 0.000 1.048 226 V CA 1.421 63.716 62.300 -0.008 0.000 1.049 226 V CB -1.138 30.680 31.823 -0.008 0.000 0.672 226 V HN 0.511 nan 8.190 nan 0.000 0.457 227 A N -0.224 122.592 122.820 -0.007 0.000 1.940 227 A HA -0.318 4.002 4.320 0.001 0.000 0.219 227 A C 2.173 179.753 177.584 -0.007 0.000 1.176 227 A CA 2.296 54.329 52.037 -0.007 0.000 0.631 227 A CB -0.517 18.480 19.000 -0.005 0.000 0.814 227 A HN 0.536 nan 8.150 nan 0.000 0.446 228 Q N -0.121 119.675 119.800 -0.006 0.000 2.119 228 Q HA 0.033 4.373 4.340 0.001 0.000 0.201 228 Q C 2.020 178.016 176.000 -0.006 0.000 0.972 228 Q CA 2.010 57.809 55.803 -0.006 0.000 0.847 228 Q CB -0.671 28.064 28.738 -0.005 0.000 0.903 228 Q HN 0.539 nan 8.270 nan 0.000 0.433 229 A N 0.294 123.110 122.820 -0.007 0.000 1.883 229 A HA -0.151 4.170 4.320 0.001 0.000 0.217 229 A C 2.147 179.726 177.584 -0.008 0.000 1.186 229 A CA 1.537 53.570 52.037 -0.007 0.000 0.624 229 A CB -0.868 18.128 19.000 -0.007 0.000 0.822 229 A HN 0.453 nan 8.150 nan 0.000 0.444 230 L N -0.635 120.582 121.223 -0.010 0.000 2.046 230 L HA -0.214 4.126 4.340 0.001 0.000 0.208 230 L C 2.436 179.299 176.870 -0.012 0.000 1.077 230 L CA 1.739 56.571 54.840 -0.013 0.000 0.747 230 L CB -0.560 41.490 42.059 -0.014 0.000 0.896 230 L HN 0.442 nan 8.230 nan 0.000 0.432 231 D N 0.231 120.626 120.400 -0.010 0.000 2.117 231 D HA -0.197 4.443 4.640 0.001 0.000 0.197 231 D C 1.815 178.110 176.300 -0.008 0.000 0.987 231 D CA 1.571 55.566 54.000 -0.008 0.000 0.829 231 D CB -0.087 40.709 40.800 -0.007 0.000 0.961 231 D HN 0.332 nan 8.370 nan 0.000 0.460 232 N N -0.793 117.903 118.700 -0.007 0.000 2.309 232 N HA -0.065 4.676 4.740 0.001 0.000 0.182 232 N C 1.248 176.754 175.510 -0.007 0.000 1.018 232 N CA 0.360 53.406 53.050 -0.006 0.000 0.876 232 N CB 0.052 38.535 38.487 -0.005 0.000 0.972 232 N HN 0.228 nan 8.380 nan 0.000 0.434 233 L N -0.014 121.204 121.223 -0.009 0.000 2.612 233 L HA 0.217 4.557 4.340 0.001 0.000 0.230 233 L C 0.892 177.754 176.870 -0.013 0.000 1.140 233 L CA -0.182 54.652 54.840 -0.010 0.000 0.896 233 L CB -0.047 42.004 42.059 -0.013 0.000 1.065 233 L HN 0.169 nan 8.230 nan 0.000 0.447 234 G N 0.284 109.077 108.800 -0.011 0.000 2.212 234 G HA2 -0.219 3.742 3.960 0.001 0.000 0.255 234 G HA3 -0.219 3.742 3.960 0.001 0.000 0.255 234 G C -0.018 174.874 174.900 -0.014 0.000 1.062 234 G CA -0.325 44.769 45.100 -0.011 0.000 0.815 234 G HN 0.181 nan 8.290 nan 0.000 0.497 235 K N 0.128 120.519 120.400 -0.015 0.000 2.234 235 K HA 0.340 4.660 4.320 0.001 0.000 0.282 235 K C 1.226 177.819 176.600 -0.012 0.000 1.039 235 K CA -0.619 55.658 56.287 -0.016 0.000 0.928 235 K CB 1.351 33.839 32.500 -0.020 0.000 1.039 235 K HN 0.263 nan 8.250 nan 0.000 0.470 236 Q N 1.406 121.201 119.800 -0.010 0.000 2.137 236 Q HA -0.015 4.326 4.340 0.001 0.000 0.198 236 Q C -0.085 175.912 176.000 -0.006 0.000 0.960 236 Q CA 1.262 57.061 55.803 -0.006 0.000 0.847 236 Q CB 0.341 29.078 28.738 -0.002 0.000 0.915 236 Q HN 0.417 nan 8.270 nan 0.000 0.448 237 K N -0.639 119.756 120.400 -0.008 0.000 2.513 237 K HA 0.647 4.968 4.320 0.001 0.000 0.251 237 K C -1.607 174.986 176.600 -0.013 0.000 0.939 237 K CA -0.319 55.963 56.287 -0.009 0.000 0.793 237 K CB 2.466 34.962 32.500 -0.007 0.000 1.241 237 K HN -0.009 nan 8.250 nan 0.000 0.431 238 A N 3.302 126.116 122.820 -0.011 0.000 2.549 238 A HA 0.747 5.067 4.320 0.001 0.000 0.297 238 A C -1.413 176.166 177.584 -0.008 0.000 1.061 238 A CA -0.691 51.338 52.037 -0.013 0.000 0.690 238 A CB 1.047 20.038 19.000 -0.014 0.000 1.287 238 A HN 0.658 nan 8.150 nan 0.000 0.402 239 I N 2.062 122.626 120.570 -0.010 0.000 2.468 239 I HA 0.385 4.555 4.170 0.001 0.000 0.284 239 I C -0.988 175.121 176.117 -0.012 0.000 1.038 239 I CA -0.775 60.523 61.300 -0.003 0.000 1.083 239 I CB 1.969 39.971 38.000 0.004 0.000 1.223 239 I HN 0.350 nan 8.210 nan 0.000 0.443 240 V N 7.113 127.022 119.914 -0.009 0.000 2.435 240 V HA 0.572 4.692 4.120 0.001 0.000 0.290 240 V C -0.222 175.867 176.094 -0.007 0.000 1.030 240 V CA -0.611 61.682 62.300 -0.012 0.000 0.881 240 V CB 1.582 33.399 31.823 -0.009 0.000 0.983 240 V HN 0.557 nan 8.190 nan 0.000 0.445 241 L N 2.050 123.265 121.223 -0.014 0.000 2.376 241 L HA 0.884 5.225 4.340 0.001 0.000 0.258 241 L C -0.936 175.951 176.870 0.029 0.000 1.013 241 L CA -0.773 54.062 54.840 -0.009 0.000 0.822 241 L CB 2.146 44.176 42.059 -0.048 0.000 1.388 241 L HN 0.659 nan 8.230 nan 0.000 0.413 242 H N -0.081 118.941 119.070 -0.080 0.000 3.017 242 H HA 0.688 5.244 4.556 0.001 0.000 0.340 242 H C -0.420 174.864 175.328 -0.074 0.000 1.014 242 H CA -0.097 55.898 56.048 -0.089 0.000 1.341 242 H CB 1.800 31.530 29.762 -0.053 0.000 1.739 242 H HN 1.126 nan 8.280 nan 0.000 0.506 243 G N 3.491 111.978 108.800 -0.523 0.000 2.380 243 G HA2 0.125 4.085 3.960 0.001 0.000 0.262 243 G HA3 0.125 4.085 3.960 0.001 0.000 0.262 243 G C 0.417 175.038 174.900 -0.464 0.000 1.243 243 G CA -0.680 44.187 45.100 -0.389 0.000 0.865 243 G HN 0.832 nan 8.290 nan 0.000 0.513 244 R N 1.050 121.424 120.500 -0.210 0.000 2.285 244 R HA -0.043 4.297 4.340 0.001 0.000 0.213 244 R C 1.515 177.772 176.300 -0.071 0.000 1.068 244 R CA 0.773 56.815 56.100 -0.097 0.000 1.004 244 R CB 0.219 30.504 30.300 -0.026 0.000 0.873 244 R HN 0.678 nan 8.270 nan 0.000 0.467 245 E N 0.712 120.854 120.200 -0.097 0.000 2.526 245 E HA -0.046 4.304 4.350 0.001 0.000 0.198 245 E C -0.312 176.276 176.600 -0.021 0.000 1.091 245 E CA -0.029 56.343 56.400 -0.046 0.000 0.880 245 E CB -0.078 29.595 29.700 -0.045 0.000 0.873 245 E HN 0.086 nan 8.360 nan 0.000 0.527 246 R N 0.485 120.947 120.500 -0.063 0.000 3.096 246 R HA -0.152 4.188 4.340 0.001 0.000 0.261 246 R C -1.428 174.963 176.300 0.152 0.000 0.988 246 R CA 0.078 56.233 56.100 0.091 0.000 0.661 246 R CB -1.570 28.846 30.300 0.193 0.000 1.274 246 R HN 0.146 nan 8.270 nan 0.000 0.416 247 L N 1.223 122.332 121.223 -0.190 0.000 2.409 247 L HA 0.360 4.700 4.340 0.001 0.000 0.262 247 L C 0.547 177.083 176.870 -0.555 0.000 0.992 247 L CA -0.804 53.891 54.840 -0.242 0.000 0.817 247 L CB 1.854 43.789 42.059 -0.206 0.000 1.350 247 L HN 0.261 nan 8.230 nan 0.000 0.411 248 D N -0.106 119.778 120.400 -0.859 0.000 2.460 248 D HA 0.144 4.785 4.640 0.001 0.000 0.229 248 D C -0.125 175.965 176.300 -0.350 0.000 1.170 248 D CA -0.049 53.558 54.000 -0.656 0.000 0.827 248 D CB 0.371 40.637 40.800 -0.890 0.000 0.973 248 D HN 0.484 nan 8.370 nan 0.000 0.496 249 E N -0.602 119.424 120.200 -0.289 0.000 2.429 249 E HA 0.643 4.994 4.350 0.001 0.000 0.276 249 E C -1.201 175.287 176.600 -0.188 0.000 0.953 249 E CA -1.248 55.030 56.400 -0.203 0.000 0.787 249 E CB 2.019 31.605 29.700 -0.191 0.000 1.307 249 E HN 0.114 nan 8.360 nan 0.000 0.458 250 A N 1.329 124.059 122.820 -0.150 0.000 2.396 250 A HA 0.560 4.881 4.320 0.001 0.000 0.279 250 A C 0.443 177.955 177.584 -0.121 0.000 1.165 250 A CA 0.253 52.208 52.037 -0.137 0.000 0.824 250 A CB -0.142 18.785 19.000 -0.123 0.000 1.100 250 A HN 0.555 nan 8.150 nan 0.000 0.516 251 G N 0.688 109.417 108.800 -0.118 0.000 2.599 251 G HA2 0.437 4.397 3.960 0.001 0.000 0.264 251 G HA3 0.437 4.397 3.960 0.001 0.000 0.264 251 G C 0.610 175.471 174.900 -0.064 0.000 1.200 251 G CA -0.649 44.400 45.100 -0.086 0.000 0.896 251 G HN 0.683 nan 8.290 nan 0.000 0.536 252 L N 0.435 121.634 121.223 -0.040 0.000 2.513 252 L HA 0.199 4.540 4.340 0.001 0.000 0.222 252 L C 2.549 179.405 176.870 -0.024 0.000 1.096 252 L CA 0.700 55.524 54.840 -0.027 0.000 0.857 252 L CB 0.264 42.319 42.059 -0.006 0.000 1.026 252 L HN 0.672 nan 8.230 nan 0.000 0.469 253 G N -1.251 107.534 108.800 -0.025 0.000 2.838 253 G HA2 -0.012 3.949 3.960 0.001 0.000 0.210 253 G HA3 -0.012 3.949 3.960 0.001 0.000 0.210 253 G C -0.078 174.808 174.900 -0.023 0.000 1.153 253 G CA 0.154 45.243 45.100 -0.018 0.000 0.778 253 G HN 0.203 nan 8.290 nan 0.000 0.539 254 D N -1.514 118.865 120.400 -0.035 0.000 2.677 254 D HA 0.399 5.040 4.640 0.001 0.000 0.298 254 D C -0.570 175.701 176.300 -0.049 0.000 1.250 254 D CA -0.734 53.245 54.000 -0.035 0.000 0.888 254 D CB 1.029 41.809 40.800 -0.032 0.000 1.397 254 D HN -0.170 nan 8.370 nan 0.000 0.461 255 L N 0.232 121.428 121.223 -0.044 0.000 2.473 255 L HA 0.348 4.689 4.340 0.001 0.000 0.268 255 L C 0.829 177.657 176.870 -0.071 0.000 1.215 255 L CA 0.566 55.374 54.840 -0.053 0.000 0.823 255 L CB 0.485 42.523 42.059 -0.036 0.000 1.099 255 L HN 0.242 nan 8.230 nan 0.000 0.483 256 T N 0.562 115.066 114.554 -0.083 0.000 2.824 256 T HA 0.286 4.637 4.350 0.001 0.000 0.282 256 T C -0.819 173.845 174.700 -0.060 0.000 0.993 256 T CA -0.648 61.396 62.100 -0.092 0.000 0.967 256 T CB 0.912 69.708 68.868 -0.121 0.000 0.960 256 T HN 0.411 nan 8.240 nan 0.000 0.441 257 D N 2.844 123.229 120.400 -0.024 0.000 2.302 257 D HA 0.381 5.021 4.640 0.001 0.000 0.248 257 D C -0.384 175.917 176.300 0.002 0.000 1.094 257 D CA -0.078 53.925 54.000 0.004 0.000 0.897 257 D CB 1.382 42.206 40.800 0.041 0.000 1.200 257 D HN 0.326 nan 8.370 nan 0.000 0.429 258 L N 1.195 122.420 121.223 0.004 0.000 2.381 258 L HA 0.517 4.858 4.340 0.001 0.000 0.274 258 L C -0.190 176.689 176.870 0.015 0.000 0.988 258 L CA -1.043 53.801 54.840 0.008 0.000 0.824 258 L CB 1.963 44.032 42.059 0.016 0.000 1.263 258 L HN 0.286 nan 8.230 nan 0.000 0.410 259 A N 3.726 126.553 122.820 0.011 0.000 2.252 259 A HA 0.703 5.023 4.320 0.001 0.000 0.309 259 A C -0.410 177.180 177.584 0.009 0.000 1.285 259 A CA -0.413 51.629 52.037 0.009 0.000 0.900 259 A CB 0.729 19.731 19.000 0.004 0.000 1.157 259 A HN 0.418 nan 8.150 nan 0.000 0.536 260 V N 3.831 123.752 119.914 0.012 0.000 2.435 260 V HA 0.514 4.634 4.120 0.001 0.000 0.290 260 V C -0.428 175.667 176.094 0.003 0.000 1.030 260 V CA -0.529 61.778 62.300 0.011 0.000 0.881 260 V CB 1.263 33.097 31.823 0.018 0.000 0.983 260 V HN 0.819 nan 8.190 nan 0.000 0.445 261 L N 4.210 125.433 121.223 -0.001 0.000 2.362 261 L HA 0.903 5.243 4.340 0.001 0.000 0.275 261 L C -0.422 176.445 176.870 -0.006 0.000 0.998 261 L CA 0.369 55.207 54.840 -0.004 0.000 0.820 261 L CB 2.097 44.152 42.059 -0.005 0.000 1.270 261 L HN 0.675 nan 8.230 nan 0.000 0.415 262 S N 2.776 118.472 115.700 -0.006 0.000 2.562 262 S HA 0.546 5.016 4.470 0.001 0.000 0.274 262 S C 0.092 174.689 174.600 -0.005 0.000 1.160 262 S CA 0.406 58.602 58.200 -0.006 0.000 0.933 262 S CB 0.978 64.173 63.200 -0.008 0.000 1.100 262 S HN 1.458 nan 8.310 nan 0.000 0.468 263 D N 1.377 121.775 120.400 -0.004 0.000 2.978 263 D HA -0.106 4.535 4.640 0.001 0.000 0.205 263 D C 1.856 178.154 176.300 -0.004 0.000 1.093 263 D CA 2.067 56.065 54.000 -0.004 0.000 1.006 263 D CB -2.166 nan 40.800 nan 0.000 1.116 263 D HN 2.372 nan 8.370 nan 0.000 0.419 264 G N -3.567 105.231 108.800 -0.004 0.000 2.176 264 G HA2 0.447 4.407 3.960 0.001 0.000 0.232 264 G HA3 0.447 4.407 3.960 0.001 0.000 0.232 264 G C 0.239 175.137 174.900 -0.004 0.000 0.986 264 G CA 1.470 46.567 45.100 -0.004 0.000 0.643 264 G HN 2.235 nan 8.290 nan 0.000 0.522 265 E N -0.831 119.367 120.200 -0.004 0.000 2.197 265 E HA 0.970 5.320 4.350 0.001 0.000 0.281 265 E C -0.017 176.582 176.600 -0.003 0.000 0.995 265 E CA 0.151 56.549 56.400 -0.003 0.000 0.808 265 E CB 1.291 30.989 29.700 -0.004 0.000 1.093 265 E HN 2.101 nan 8.360 nan 0.000 0.394 266 L N 1.789 123.011 121.223 -0.002 0.000 2.325 266 L HA 0.842 5.183 4.340 0.001 0.000 0.281 266 L C 0.064 176.935 176.870 0.001 0.000 1.004 266 L CA -0.885 53.955 54.840 -0.001 0.000 0.823 266 L CB 0.999 43.057 42.059 -0.001 0.000 1.236 266 L HN 0.810 nan 8.230 nan 0.000 0.415 267 Q N 1.800 121.602 119.800 0.003 0.000 2.345 267 Q HA 0.812 5.153 4.340 0.001 0.000 0.268 267 Q C -1.729 174.276 176.000 0.009 0.000 1.054 267 Q CA -0.769 55.038 55.803 0.006 0.000 0.835 267 Q CB 2.494 31.235 28.738 0.006 0.000 1.339 267 Q HN 0.819 nan 8.270 nan 0.000 0.447 268 L N 2.140 123.369 121.223 0.010 0.000 2.322 268 L HA 0.686 5.026 4.340 0.001 0.000 0.281 268 L C -0.725 176.155 176.870 0.018 0.000 1.014 268 L CA 0.327 55.175 54.840 0.013 0.000 0.815 268 L CB 2.032 44.097 42.059 0.010 0.000 1.247 268 L HN 0.738 nan 8.230 nan 0.000 0.421 269 T N 1.634 116.202 114.554 0.023 0.000 2.665 269 T HA 0.734 5.084 4.350 0.001 0.000 0.303 269 T C -1.007 173.707 174.700 0.023 0.000 1.334 269 T CA 0.233 62.351 62.100 0.030 0.000 1.011 269 T CB 1.329 70.227 68.868 0.050 0.000 1.573 269 T HN 0.856 nan 8.240 nan 0.000 0.492 270 T N -0.198 114.368 114.554 0.021 0.000 2.901 270 T HA 0.791 5.141 4.350 0.001 0.000 0.293 270 T C -1.015 173.658 174.700 -0.046 0.000 1.084 270 T CA -0.788 61.304 62.100 -0.013 0.000 1.008 270 T CB 1.434 70.294 68.868 -0.013 0.000 1.170 270 T HN 0.751 nan 8.240 nan 0.000 0.509 271 I N 1.004 121.502 120.570 -0.120 0.000 2.545 271 I HA 0.567 4.737 4.170 0.001 0.000 0.292 271 I C -1.021 175.016 176.117 -0.134 0.000 1.040 271 I CA -0.754 60.414 61.300 -0.219 0.000 1.068 271 I CB 1.970 39.696 38.000 -0.456 0.000 1.251 271 I HN 0.741 nan 8.210 nan 0.000 0.424 272 N N 7.295 125.934 118.700 -0.101 0.000 2.479 272 N HA 0.395 5.136 4.740 0.001 0.000 0.261 272 N C -2.163 173.312 175.510 -0.058 0.000 0.979 272 N CA -1.397 51.616 53.050 -0.062 0.000 0.930 272 N CB 1.920 40.388 38.487 -0.031 0.000 1.172 272 N HN 0.455 nan 8.380 nan 0.000 0.499 273 P HA -0.171 nan 4.420 nan 0.000 0.216 273 P C 1.803 179.087 177.300 -0.026 0.000 1.150 273 P CA 1.775 64.848 63.100 -0.045 0.000 0.843 273 P CB 0.239 31.915 31.700 -0.040 0.000 0.787 274 Q N 0.244 120.032 119.800 -0.020 0.000 2.172 274 Q HA -0.164 4.176 4.340 0.001 0.000 0.200 274 Q C 1.892 177.888 176.000 -0.006 0.000 0.964 274 Q CA 1.551 57.347 55.803 -0.011 0.000 0.855 274 Q CB -1.441 27.292 28.738 -0.009 0.000 0.918 274 Q HN 0.437 nan 8.270 nan 0.000 0.444 275 E N -0.733 119.463 120.200 -0.007 0.000 2.481 275 E HA 0.109 4.460 4.350 0.001 0.000 0.195 275 E C 1.338 177.944 176.600 0.011 0.000 1.047 275 E CA 0.583 56.985 56.400 0.003 0.000 0.867 275 E CB 0.648 30.352 29.700 0.008 0.000 0.858 275 E HN 0.375 nan 8.360 nan 0.000 0.513 276 V N -0.576 119.341 119.914 0.004 0.000 3.578 276 V HA 0.253 4.374 4.120 0.001 0.000 0.290 276 V C 0.817 176.917 176.094 0.009 0.000 1.376 276 V CA 0.928 63.237 62.300 0.014 0.000 1.083 276 V CB 0.621 32.442 31.823 -0.003 0.000 0.911 276 V HN 0.382 nan 8.190 nan 0.000 0.433 277 G N 0.251 109.053 108.800 0.003 0.000 2.141 277 G HA2 -0.152 3.808 3.960 0.001 0.000 0.195 277 G HA3 -0.152 3.808 3.960 0.001 0.000 0.195 277 G C -0.169 174.732 174.900 0.001 0.000 1.012 277 G CA 0.144 45.246 45.100 0.003 0.000 0.696 277 G HN 0.594 nan 8.290 nan 0.000 0.508 278 V N 0.301 120.214 119.914 -0.002 0.000 2.914 278 V HA 0.740 4.861 4.120 0.001 0.000 0.314 278 V C 0.556 176.649 176.094 -0.002 0.000 1.084 278 V CA -0.290 62.008 62.300 -0.002 0.000 0.963 278 V CB 2.163 33.982 31.823 -0.008 0.000 1.025 278 V HN 0.317 nan 8.190 nan 0.000 0.432 279 T N 5.158 119.712 114.554 0.002 0.000 2.817 279 T HA 0.358 4.708 4.350 0.001 0.000 0.293 279 T C -2.580 172.120 174.700 0.000 0.000 0.964 279 T CA -1.016 61.085 62.100 0.001 0.000 1.085 279 T CB 1.109 69.980 68.868 0.004 0.000 0.921 279 T HN 0.434 nan 8.240 nan 0.000 0.502 280 P HA 0.335 nan 4.420 nan 0.000 0.262 280 P C -1.083 176.218 177.300 0.002 0.000 1.182 280 P CA 0.008 63.106 63.100 -0.004 0.000 0.761 280 P CB 0.327 32.024 31.700 -0.005 0.000 0.795 281 A N 4.452 127.274 122.820 0.003 0.000 2.572 281 A HA 0.735 5.056 4.320 0.001 0.000 0.295 281 A C -2.824 174.765 177.584 0.008 0.000 1.072 281 A CA -1.555 50.488 52.037 0.009 0.000 0.691 281 A CB 1.197 20.208 19.000 0.018 0.000 1.291 281 A HN 0.311 nan 8.150 nan 0.000 0.404 282 P HA 0.237 nan 4.420 nan 0.000 0.274 282 P C 0.961 178.271 177.300 0.017 0.000 1.237 282 P CA -0.381 62.725 63.100 0.010 0.000 0.793 282 P CB 0.857 32.563 31.700 0.011 0.000 0.977 283 I N 0.984 121.563 120.570 0.014 0.000 2.315 283 I HA -0.224 3.946 4.170 0.001 0.000 0.251 283 I C 2.166 178.304 176.117 0.035 0.000 1.125 283 I CA 2.048 63.359 61.300 0.019 0.000 1.392 283 I CB -0.737 37.272 38.000 0.015 0.000 1.065 283 I HN 0.513 nan 8.210 nan 0.000 0.424 284 G N 0.116 108.936 108.800 0.032 0.000 2.450 284 G HA2 -0.305 3.656 3.960 0.001 0.000 0.220 284 G HA3 -0.305 3.656 3.960 0.001 0.000 0.220 284 G C 1.694 176.624 174.900 0.050 0.000 1.130 284 G CA 0.704 45.827 45.100 0.038 0.000 0.760 284 G HN 0.574 nan 8.290 nan 0.000 0.557 285 A N 0.221 123.071 122.820 0.049 0.000 2.070 285 A HA 0.200 4.520 4.320 0.001 0.000 0.220 285 A C 2.098 179.747 177.584 0.108 0.000 1.159 285 A CA 0.807 52.879 52.037 0.059 0.000 0.656 285 A CB -0.185 18.843 19.000 0.047 0.000 0.800 285 A HN 0.380 nan 8.150 nan 0.000 0.453 286 L N 0.233 121.534 121.223 0.131 0.000 2.653 286 L HA 0.109 4.450 4.340 0.001 0.000 0.231 286 L C 0.848 177.879 176.870 0.269 0.000 1.153 286 L CA -0.487 54.495 54.840 0.237 0.000 0.933 286 L CB -0.330 41.799 42.059 0.117 0.000 1.175 286 L HN 0.449 nan 8.230 nan 0.000 0.473 287 R N 0.469 121.074 120.500 0.176 0.000 2.640 287 R HA 0.311 4.652 4.340 0.001 0.000 0.270 287 R C 0.384 176.804 176.300 0.201 0.000 1.024 287 R CA 0.168 56.355 56.100 0.146 0.000 1.085 287 R CB 0.143 30.495 30.300 0.086 0.000 0.963 287 R HN 0.019 nan 8.270 nan 0.000 0.426 288 G N 0.380 109.286 108.800 0.177 0.000 2.531 288 G HA2 0.563 4.523 3.960 0.001 0.000 0.313 288 G HA3 0.563 4.523 3.960 0.001 0.000 0.313 288 G C -0.490 174.466 174.900 0.094 0.000 1.238 288 G CA -0.498 44.705 45.100 0.172 0.000 0.994 288 G HN 0.741 nan 8.290 nan 0.000 0.493 289 G N -1.027 107.817 108.800 0.073 0.000 3.264 289 G HA2 0.512 4.472 3.960 0.001 0.000 0.168 289 G HA3 0.512 4.472 3.960 0.001 0.000 0.168 289 G C -0.614 174.311 174.900 0.040 0.000 1.145 289 G CA 0.215 45.342 45.100 0.044 0.000 0.855 289 G HN 0.776 nan 8.290 nan 0.000 0.629 290 D N -0.867 119.549 120.400 0.026 0.000 2.414 290 D HA 0.227 4.867 4.640 0.001 0.000 0.259 290 D C 1.714 178.028 176.300 0.024 0.000 1.269 290 D CA -0.124 53.888 54.000 0.021 0.000 1.028 290 D CB 0.384 41.191 40.800 0.010 0.000 1.093 290 D HN 0.149 nan 8.370 nan 0.000 0.545 291 V N -0.363 119.561 119.914 0.018 0.000 2.407 291 V HA -0.267 3.853 4.120 0.001 0.000 0.248 291 V C 2.520 178.624 176.094 0.017 0.000 1.055 291 V CA 1.950 64.261 62.300 0.018 0.000 1.049 291 V CB -1.132 30.694 31.823 0.005 0.000 0.662 291 V HN 0.517 nan 8.190 nan 0.000 0.455 292 Q N -0.205 119.600 119.800 0.008 0.000 2.119 292 Q HA -0.202 4.138 4.340 0.001 0.000 0.201 292 Q C 2.390 178.389 176.000 -0.001 0.000 0.972 292 Q CA 1.716 57.520 55.803 0.002 0.000 0.847 292 Q CB -0.096 28.640 28.738 -0.004 0.000 0.903 292 Q HN 0.744 nan 8.270 nan 0.000 0.433 293 E N 0.329 120.530 120.200 0.001 0.000 2.047 293 E HA -0.161 4.189 4.350 0.001 0.000 0.191 293 E C 1.781 178.380 176.600 -0.001 0.000 0.987 293 E CA 0.890 57.286 56.400 -0.007 0.000 0.799 293 E CB -0.064 29.636 29.700 -0.001 0.000 0.752 293 E HN 0.289 nan 8.360 nan 0.000 0.449 294 N N 1.030 119.750 118.700 0.033 0.000 2.104 294 N HA -0.142 4.598 4.740 0.001 0.000 0.190 294 N C 1.706 177.252 175.510 0.061 0.000 1.024 294 N CA 1.412 54.506 53.050 0.073 0.000 0.853 294 N CB -0.438 38.112 38.487 0.106 0.000 1.008 294 N HN 0.172 nan 8.380 nan 0.000 0.424 295 A N 1.344 124.191 122.820 0.044 0.000 1.902 295 A HA -0.140 4.180 4.320 0.001 0.000 0.217 295 A C 2.042 179.629 177.584 0.005 0.000 1.181 295 A CA 1.308 53.371 52.037 0.045 0.000 0.623 295 A CB -0.354 18.669 19.000 0.038 0.000 0.818 295 A HN 0.200 nan 8.150 nan 0.000 0.443 296 E N -0.197 119.983 120.200 -0.033 0.000 2.106 296 E HA -0.133 4.218 4.350 0.001 0.000 0.192 296 E C 2.009 178.536 176.600 -0.120 0.000 0.984 296 E CA 1.118 57.469 56.400 -0.082 0.000 0.806 296 E CB -0.328 29.326 29.700 -0.078 0.000 0.750 296 E HN 0.746 nan 8.360 nan 0.000 0.458 297 I N 0.828 121.321 120.570 -0.128 0.000 2.202 297 I HA -0.261 3.910 4.170 0.001 0.000 0.242 297 I C 2.563 178.560 176.117 -0.200 0.000 1.091 297 I CA 0.545 61.700 61.300 -0.242 0.000 1.368 297 I CB -0.244 37.514 38.000 -0.403 0.000 1.058 297 I HN 0.078 nan 8.210 nan 0.000 0.410 298 L N 1.290 122.480 121.223 -0.055 0.000 1.994 298 L HA -0.239 4.101 4.340 0.001 0.000 0.208 298 L C 2.487 179.401 176.870 0.073 0.000 1.071 298 L CA 1.979 56.870 54.840 0.085 0.000 0.745 298 L CB -0.738 41.435 42.059 0.189 0.000 0.892 298 L HN 0.104 nan 8.230 nan 0.000 0.431 299 K N -0.639 119.764 120.400 0.005 0.000 2.020 299 K HA -0.230 4.090 4.320 0.001 0.000 0.212 299 K C 2.016 178.423 176.600 -0.323 0.000 1.050 299 K CA 1.723 57.857 56.287 -0.254 0.000 0.929 299 K CB -0.408 31.814 32.500 -0.463 0.000 0.714 299 K HN 0.482 nan 8.250 nan 0.000 0.443 300 A N 0.611 123.284 122.820 -0.244 0.000 1.892 300 A HA -0.157 4.163 4.320 0.001 0.000 0.218 300 A C 2.303 179.801 177.584 -0.143 0.000 1.188 300 A CA 1.990 53.900 52.037 -0.212 0.000 0.631 300 A CB -0.851 18.039 19.000 -0.183 0.000 0.822 300 A HN 0.213 nan 8.150 nan 0.000 0.447 301 V N 0.102 119.955 119.914 -0.102 0.000 2.295 301 V HA -0.240 3.880 4.120 0.001 0.000 0.246 301 V C 2.520 178.633 176.094 0.033 0.000 1.049 301 V CA 1.942 64.222 62.300 -0.033 0.000 1.024 301 V CB -0.684 31.136 31.823 -0.005 0.000 0.648 301 V HN 0.575 nan 8.190 nan 0.000 0.447 302 L N -0.588 120.682 121.223 0.080 0.000 2.275 302 L HA -0.185 4.155 4.340 0.001 0.000 0.215 302 L C 2.385 179.342 176.870 0.145 0.000 1.119 302 L CA 1.279 56.220 54.840 0.168 0.000 0.790 302 L CB -0.472 41.763 42.059 0.295 0.000 0.919 302 L HN 0.420 nan 8.230 nan 0.000 0.443 303 Q N -0.442 119.362 119.800 0.005 0.000 2.425 303 Q HA 0.072 4.412 4.340 0.001 0.000 0.204 303 Q C 1.315 177.301 176.000 -0.023 0.000 0.933 303 Q CA 0.565 56.338 55.803 -0.050 0.000 0.939 303 Q CB 0.541 29.124 28.738 -0.259 0.000 1.044 303 Q HN 0.590 nan 8.270 nan 0.000 0.513 304 G N 0.641 109.437 108.800 -0.007 0.000 2.148 304 G HA2 -0.182 3.779 3.960 0.001 0.000 0.203 304 G HA3 -0.182 3.779 3.960 0.001 0.000 0.203 304 G C 0.245 175.129 174.900 -0.026 0.000 0.993 304 G CA 0.050 45.148 45.100 -0.003 0.000 0.661 304 G HN 0.094 nan 8.290 nan 0.000 0.518 305 K N 0.060 120.429 120.400 -0.053 0.000 2.066 305 K HA 0.808 5.128 4.320 0.001 0.000 0.261 305 K C 1.011 177.570 176.600 -0.069 0.000 0.992 305 K CA -0.071 56.176 56.287 -0.066 0.000 1.309 305 K CB -0.164 32.279 32.500 -0.095 0.000 2.459 305 K HN 1.591 nan 8.250 nan 0.000 0.942 306 G N 0.950 109.695 108.800 -0.093 0.000 2.814 306 G HA2 -0.231 3.730 3.960 0.001 0.000 0.677 306 G HA3 -0.231 3.730 3.960 0.001 0.000 0.677 306 G C -0.040 174.814 174.900 -0.076 0.000 1.429 306 G CA -0.177 44.856 45.100 -0.112 0.000 0.868 306 G HN 0.780 nan 8.290 nan 0.000 0.553 307 T N -1.992 112.515 114.554 -0.077 0.000 2.766 307 T HA 0.449 4.799 4.350 0.001 0.000 0.295 307 T C 1.419 176.109 174.700 -0.018 0.000 1.024 307 T CA 0.995 63.070 62.100 -0.042 0.000 1.018 307 T CB 1.411 70.258 68.868 -0.035 0.000 1.002 307 T HN 1.026 nan 8.240 nan 0.000 0.532 308 Q N 0.965 120.762 119.800 -0.006 0.000 2.135 308 Q HA -0.056 4.285 4.340 0.001 0.000 0.204 308 Q C 2.353 178.367 176.000 0.024 0.000 0.981 308 Q CA 2.321 58.128 55.803 0.007 0.000 0.856 308 Q CB -1.118 27.623 28.738 0.005 0.000 0.902 308 Q HN 0.917 nan 8.270 nan 0.000 0.425 309 A N -0.211 122.627 122.820 0.030 0.000 1.930 309 A HA -0.219 4.101 4.320 0.001 0.000 0.217 309 A C 2.009 179.658 177.584 0.109 0.000 1.175 309 A CA 1.564 53.635 52.037 0.057 0.000 0.627 309 A CB -0.493 18.540 19.000 0.055 0.000 0.815 309 A HN 0.541 nan 8.150 nan 0.000 0.443 310 Q N -0.656 119.200 119.800 0.093 0.000 2.046 310 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 310 Q C 2.353 178.464 176.000 0.185 0.000 0.975 310 Q CA 1.671 57.566 55.803 0.154 0.000 0.836 310 Q CB -0.203 28.438 28.738 -0.162 0.000 0.896 310 Q HN 0.761 nan 8.270 nan 0.000 0.428 311 Q N 0.512 120.360 119.800 0.081 0.000 2.030 311 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 311 Q C 1.669 177.719 176.000 0.083 0.000 0.986 311 Q CA 1.424 57.273 55.803 0.076 0.000 0.843 311 Q CB -0.048 28.712 28.738 0.036 0.000 0.904 311 Q HN 0.348 nan 8.270 nan 0.000 0.420 312 D N 0.214 120.653 120.400 0.066 0.000 2.123 312 D HA -0.144 4.497 4.640 0.001 0.000 0.196 312 D C 1.754 178.083 176.300 0.050 0.000 0.992 312 D CA 1.374 55.401 54.000 0.046 0.000 0.833 312 D CB -0.241 40.578 40.800 0.032 0.000 0.954 312 D HN 0.284 nan 8.370 nan 0.000 0.455 313 A N 0.461 123.331 122.820 0.084 0.000 1.877 313 A HA -0.146 4.174 4.320 0.001 0.000 0.216 313 A C 2.546 180.156 177.584 0.043 0.000 1.186 313 A CA 1.393 53.462 52.037 0.053 0.000 0.620 313 A CB -0.785 18.252 19.000 0.060 0.000 0.822 313 A HN 0.150 nan 8.150 nan 0.000 0.443 314 V N -0.071 119.916 119.914 0.121 0.000 2.295 314 V HA -0.266 3.855 4.120 0.001 0.000 0.246 314 V C 3.065 179.192 176.094 0.056 0.000 1.049 314 V CA 2.031 64.396 62.300 0.108 0.000 1.024 314 V CB -1.345 30.593 31.823 0.191 0.000 0.648 314 V HN 0.625 nan 8.190 nan 0.000 0.447 315 A N -0.245 122.604 122.820 0.048 0.000 1.877 315 A HA -0.211 4.109 4.320 0.001 0.000 0.216 315 A C 2.186 179.767 177.584 -0.004 0.000 1.186 315 A CA 2.154 54.202 52.037 0.018 0.000 0.620 315 A CB -0.636 18.374 19.000 0.017 0.000 0.822 315 A HN 0.441 nan 8.150 nan 0.000 0.443 316 L N 0.606 121.824 121.223 -0.008 0.000 2.012 316 L HA -0.206 4.135 4.340 0.001 0.000 0.210 316 L C 2.020 178.865 176.870 -0.042 0.000 1.073 316 L CA 2.267 57.088 54.840 -0.032 0.000 0.748 316 L CB -0.656 41.377 42.059 -0.043 0.000 0.891 316 L HN 0.409 nan 8.230 nan 0.000 0.431 317 N N -0.548 118.128 118.700 -0.040 0.000 2.270 317 N HA -0.097 4.644 4.740 0.001 0.000 0.181 317 N C 1.729 177.217 175.510 -0.036 0.000 1.016 317 N CA 1.249 54.270 53.050 -0.048 0.000 0.870 317 N CB -0.117 38.334 38.487 -0.060 0.000 0.979 317 N HN 0.501 nan 8.380 nan 0.000 0.431 318 A N 1.310 124.116 122.820 -0.024 0.000 1.969 318 A HA 0.077 4.397 4.320 0.001 0.000 0.218 318 A C 2.398 179.948 177.584 -0.056 0.000 1.169 318 A CA 1.438 53.456 52.037 -0.033 0.000 0.635 318 A CB -0.509 18.481 19.000 -0.017 0.000 0.810 318 A HN 0.293 nan 8.150 nan 0.000 0.445 319 A N 0.126 122.921 122.820 -0.043 0.000 1.917 319 A HA -0.132 4.188 4.320 0.001 0.000 0.219 319 A C 2.144 179.721 177.584 -0.013 0.000 1.182 319 A CA 1.668 53.686 52.037 -0.031 0.000 0.633 319 A CB -0.612 18.395 19.000 0.011 0.000 0.819 319 A HN 0.501 nan 8.150 nan 0.000 0.448 320 L N -1.142 120.079 121.223 -0.003 0.000 2.056 320 L HA -0.140 4.200 4.340 0.001 0.000 0.207 320 L C 3.107 179.960 176.870 -0.028 0.000 1.078 320 L CA 0.971 55.815 54.840 0.007 0.000 0.749 320 L CB -0.675 41.378 42.059 -0.009 0.000 0.901 320 L HN 0.434 nan 8.230 nan 0.000 0.433 321 A N 0.466 123.258 122.820 -0.048 0.000 1.902 321 A HA -0.161 4.160 4.320 0.001 0.000 0.217 321 A C 2.260 179.790 177.584 -0.091 0.000 1.181 321 A CA 1.430 53.429 52.037 -0.064 0.000 0.623 321 A CB -0.726 18.235 19.000 -0.065 0.000 0.818 321 A HN 0.346 nan 8.150 nan 0.000 0.443 322 L N -0.864 120.287 121.223 -0.119 0.000 2.083 322 L HA -0.261 4.079 4.340 0.001 0.000 0.209 322 L C 2.857 179.636 176.870 -0.152 0.000 1.083 322 L CA 1.623 56.351 54.840 -0.187 0.000 0.752 322 L CB -0.545 41.363 42.059 -0.251 0.000 0.899 322 L HN 0.484 nan 8.230 nan 0.000 0.433 323 Q N -0.488 119.253 119.800 -0.098 0.000 2.123 323 Q HA -0.145 4.195 4.340 0.001 0.000 0.199 323 Q C 2.319 178.287 176.000 -0.053 0.000 0.966 323 Q CA 1.685 57.444 55.803 -0.074 0.000 0.845 323 Q CB -0.219 28.484 28.738 -0.058 0.000 0.907 323 Q HN 0.584 nan 8.270 nan 0.000 0.439 324 V N -2.169 117.718 119.914 -0.046 0.000 2.809 324 V HA 0.018 4.139 4.120 0.001 0.000 0.256 324 V C 1.941 178.020 176.094 -0.025 0.000 1.080 324 V CA 1.458 63.740 62.300 -0.031 0.000 1.102 324 V CB -0.798 31.007 31.823 -0.029 0.000 0.705 324 V HN 0.244 nan 8.190 nan 0.000 0.475 325 A N 0.348 123.141 122.820 -0.046 0.000 2.167 325 A HA 0.420 4.741 4.320 0.001 0.000 0.214 325 A C 2.165 179.771 177.584 0.037 0.000 1.151 325 A CA 1.062 53.086 52.037 -0.021 0.000 0.735 325 A CB -0.850 18.092 19.000 -0.096 0.000 0.802 325 A HN 1.743 nan 8.150 nan 0.000 0.467 326 G N -1.979 106.823 108.800 0.004 0.000 2.143 326 G HA2 -0.085 3.876 3.960 0.001 0.000 0.248 326 G HA3 -0.085 3.876 3.960 0.001 0.000 0.248 326 G C 0.976 175.919 174.900 0.071 0.000 0.991 326 G CA 0.839 45.982 45.100 0.072 0.000 0.689 326 G HN 1.394 nan 8.290 nan 0.000 0.522 327 A N -1.420 121.261 122.820 -0.232 0.000 2.072 327 A HA 0.639 4.959 4.320 0.001 0.000 0.216 327 A C 1.061 178.570 177.584 -0.124 0.000 1.156 327 A CA 1.661 53.441 52.037 -0.427 0.000 0.701 327 A CB 0.493 19.003 19.000 -0.817 0.000 0.816 327 A HN 1.146 nan 8.150 nan 0.000 0.458 328 V N 0.321 120.167 119.914 -0.114 0.000 2.841 328 V HA 0.355 4.476 4.120 0.001 0.000 0.310 328 V C -2.799 173.260 176.094 -0.059 0.000 1.090 328 V CA -1.957 60.292 62.300 -0.086 0.000 0.930 328 V CB 2.163 33.906 31.823 -0.135 0.000 1.014 328 V HN 0.069 nan 8.190 nan 0.000 0.425 329 P HA 0.124 nan 4.420 nan 0.000 0.268 329 P C -0.262 176.990 177.300 -0.081 0.000 1.205 329 P CA -0.172 62.900 63.100 -0.047 0.000 0.771 329 P CB 0.471 32.146 31.700 -0.042 0.000 0.858 330 L N 5.094 126.275 121.223 -0.070 0.000 2.534 330 L HA -0.019 4.322 4.340 0.001 0.000 0.271 330 L C 1.040 177.822 176.870 -0.147 0.000 1.178 330 L CA 0.485 55.272 54.840 -0.089 0.000 0.907 330 L CB -0.551 41.476 42.059 -0.054 0.000 1.164 330 L HN 0.552 nan 8.230 nan 0.000 0.482 331 L N 1.607 122.676 121.223 -0.256 0.000 4.892 331 L HA -0.213 4.127 4.340 0.001 0.000 0.403 331 L C 0.372 176.889 176.870 -0.588 0.000 0.913 331 L CA 0.495 55.041 54.840 -0.491 0.000 1.653 331 L CB -0.921 40.991 42.059 -0.246 0.000 1.780 331 L HN 0.653 nan 8.230 nan 0.000 0.597 332 D N 0.373 120.572 120.400 -0.335 0.000 2.600 332 D HA 0.062 4.703 4.640 0.001 0.000 0.226 332 D C 1.489 177.682 176.300 -0.178 0.000 1.119 332 D CA 0.061 53.930 54.000 -0.218 0.000 1.051 332 D CB 0.253 40.984 40.800 -0.115 0.000 1.106 332 D HN 0.264 nan 8.370 nan 0.000 0.491 333 H N 1.438 120.487 119.070 -0.035 0.000 2.321 333 H HA -0.108 4.448 4.556 0.001 0.000 0.300 333 H C 1.918 177.222 175.328 -0.040 0.000 1.087 333 H CA 1.371 57.395 56.048 -0.040 0.000 1.319 333 H CB -0.311 29.431 29.762 -0.033 0.000 1.379 333 H HN 0.456 nan 8.280 nan 0.000 0.501 334 A N 1.147 124.019 122.820 0.087 0.000 1.903 334 A HA -0.297 4.023 4.320 0.001 0.000 0.219 334 A C 2.427 180.013 177.584 0.004 0.000 1.191 334 A CA 2.291 54.349 52.037 0.034 0.000 0.638 334 A CB -0.832 18.180 19.000 0.020 0.000 0.823 334 A HN 0.500 nan 8.150 nan 0.000 0.451 335 Q N -1.055 118.736 119.800 -0.016 0.000 2.119 335 Q HA -0.070 4.271 4.340 0.001 0.000 0.201 335 Q C 2.085 178.048 176.000 -0.063 0.000 0.972 335 Q CA 1.384 57.165 55.803 -0.037 0.000 0.847 335 Q CB -0.483 28.229 28.738 -0.043 0.000 0.903 335 Q HN 0.620 nan 8.270 nan 0.000 0.433 336 G N -0.088 108.675 108.800 -0.060 0.000 2.418 336 G HA2 -0.224 3.736 3.960 0.001 0.000 0.217 336 G HA3 -0.224 3.736 3.960 0.001 0.000 0.217 336 G C 1.399 176.256 174.900 -0.072 0.000 1.158 336 G CA 0.970 46.018 45.100 -0.087 0.000 0.771 336 G HN 0.290 nan 8.290 nan 0.000 0.545 337 V N 0.678 120.575 119.914 -0.029 0.000 2.343 337 V HA -0.183 3.937 4.120 0.001 0.000 0.247 337 V C 3.021 179.097 176.094 -0.030 0.000 1.051 337 V CA 2.202 64.489 62.300 -0.022 0.000 1.036 337 V CB -0.414 31.407 31.823 -0.004 0.000 0.654 337 V HN 0.473 nan 8.190 nan 0.000 0.451 338 S N -0.370 115.312 115.700 -0.031 0.000 2.359 338 S HA -0.192 4.279 4.470 0.001 0.000 0.224 338 S C 1.993 176.565 174.600 -0.045 0.000 1.035 338 S CA 2.023 60.206 58.200 -0.028 0.000 1.018 338 S CB -0.231 62.957 63.200 -0.020 0.000 0.876 338 S HN 0.332 nan 8.310 nan 0.000 0.448 339 V N 2.057 121.914 119.914 -0.094 0.000 2.343 339 V HA -0.142 3.978 4.120 0.001 0.000 0.247 339 V C 2.817 178.829 176.094 -0.137 0.000 1.051 339 V CA 1.793 63.998 62.300 -0.159 0.000 1.036 339 V CB -1.356 30.250 31.823 -0.362 0.000 0.654 339 V HN 0.612 nan 8.190 nan 0.000 0.451 340 A N -0.319 122.430 122.820 -0.119 0.000 1.902 340 A HA -0.246 4.075 4.320 0.001 0.000 0.217 340 A C 2.293 179.871 177.584 -0.009 0.000 1.181 340 A CA 1.981 53.982 52.037 -0.060 0.000 0.623 340 A CB -0.448 18.525 19.000 -0.045 0.000 0.818 340 A HN 0.542 nan 8.150 nan 0.000 0.443 341 K N -0.639 119.757 120.400 -0.008 0.000 2.097 341 K HA -0.192 4.128 4.320 0.001 0.000 0.206 341 K C 2.134 178.746 176.600 0.021 0.000 1.049 341 K CA 1.561 57.855 56.287 0.011 0.000 0.933 341 K CB -0.115 32.389 32.500 0.007 0.000 0.717 341 K HN 0.751 nan 8.250 nan 0.000 0.442 342 E N 1.270 121.480 120.200 0.017 0.000 2.047 342 E HA -0.169 4.182 4.350 0.001 0.000 0.191 342 E C 1.983 178.619 176.600 0.059 0.000 0.987 342 E CA 0.888 57.311 56.400 0.037 0.000 0.799 342 E CB -0.042 29.683 29.700 0.043 0.000 0.752 342 E HN 0.192 nan 8.360 nan 0.000 0.449 343 I N 1.117 121.727 120.570 0.067 0.000 2.151 343 I HA -0.346 3.825 4.170 0.001 0.000 0.243 343 I C 2.489 178.661 176.117 0.091 0.000 1.080 343 I CA 1.214 62.573 61.300 0.098 0.000 1.339 343 I CB -0.301 37.761 38.000 0.104 0.000 1.039 343 I HN 0.229 nan 8.210 nan 0.000 0.409 344 L N -0.219 121.048 121.223 0.074 0.000 2.083 344 L HA -0.244 4.096 4.340 0.001 0.000 0.209 344 L C 2.629 179.536 176.870 0.062 0.000 1.083 344 L CA 1.418 56.303 54.840 0.075 0.000 0.752 344 L CB -0.577 41.519 42.059 0.063 0.000 0.899 344 L HN 0.323 nan 8.230 nan 0.000 0.433 345 Q N -0.673 119.157 119.800 0.049 0.000 2.167 345 Q HA -0.170 4.170 4.340 0.001 0.000 0.202 345 Q C 2.208 178.236 176.000 0.047 0.000 0.970 345 Q CA 1.947 57.774 55.803 0.039 0.000 0.855 345 Q CB -0.221 28.536 28.738 0.032 0.000 0.911 345 Q HN 0.629 nan 8.270 nan 0.000 0.438 346 T N -3.383 111.208 114.554 0.061 0.000 2.995 346 T HA 0.075 4.425 4.350 0.001 0.000 0.269 346 T C 1.574 176.321 174.700 0.078 0.000 1.091 346 T CA 0.782 62.921 62.100 0.066 0.000 1.128 346 T CB -0.014 68.899 68.868 0.076 0.000 0.891 346 T HN 0.466 nan 8.240 nan 0.000 0.492 347 G N 1.021 109.877 108.800 0.094 0.000 2.179 347 G HA2 -0.353 3.608 3.960 0.001 0.000 0.260 347 G HA3 -0.353 3.608 3.960 0.001 0.000 0.260 347 G C 1.094 176.092 174.900 0.163 0.000 0.977 347 G CA 1.097 46.273 45.100 0.128 0.000 0.641 347 G HN 1.012 nan 8.290 nan 0.000 0.533 348 T N -2.082 112.551 114.554 0.132 0.000 3.007 348 T HA 0.356 4.707 4.350 0.001 0.000 0.270 348 T C 2.428 177.210 174.700 0.135 0.000 1.107 348 T CA 1.799 63.971 62.100 0.121 0.000 1.118 348 T CB -0.177 68.754 68.868 0.105 0.000 0.889 348 T HN 1.396 nan 8.240 nan 0.000 0.506 349 A N 1.041 123.964 122.820 0.171 0.000 1.929 349 A HA 0.058 4.378 4.320 0.001 0.000 0.216 349 A C 2.127 179.786 177.584 0.126 0.000 1.176 349 A CA 0.975 53.133 52.037 0.202 0.000 0.628 349 A CB -1.317 17.826 19.000 0.239 0.000 0.816 349 A HN 0.776 nan 8.150 nan 0.000 0.444 350 W N 0.843 122.129 121.300 -0.023 0.000 2.358 350 W HA -0.167 4.493 4.660 0.001 0.000 0.303 350 W C 2.138 178.612 176.519 -0.076 0.000 1.208 350 W CA 1.720 59.010 57.345 -0.091 0.000 1.274 350 W CB -0.138 29.290 29.460 -0.054 0.000 1.138 350 W HN 0.416 nan 8.180 nan 0.000 0.515 351 A N 0.799 123.580 122.820 -0.067 0.000 1.930 351 A HA -0.233 4.088 4.320 0.001 0.000 0.217 351 A C 1.828 179.310 177.584 -0.170 0.000 1.175 351 A CA 2.093 54.050 52.037 -0.133 0.000 0.627 351 A CB -0.784 18.224 19.000 0.014 0.000 0.815 351 A HN 0.212 nan 8.150 nan 0.000 0.443 352 K N 0.062 120.419 120.400 -0.072 0.000 2.057 352 K HA -0.022 4.298 4.320 0.001 0.000 0.207 352 K C 1.797 178.357 176.600 -0.067 0.000 1.049 352 K CA 1.466 57.770 56.287 0.029 0.000 0.931 352 K CB -0.626 32.014 32.500 0.232 0.000 0.714 352 K HN 0.441 nan 8.250 nan 0.000 0.440 353 L N -0.183 120.740 121.223 -0.501 0.000 2.017 353 L HA -0.149 4.192 4.340 0.001 0.000 0.208 353 L C 2.127 178.664 176.870 -0.555 0.000 1.073 353 L CA 1.770 56.101 54.840 -0.848 0.000 0.745 353 L CB -0.542 40.655 42.059 -1.436 0.000 0.894 353 L HN 0.272 nan 8.230 nan 0.000 0.432 354 A N -0.848 121.534 122.820 -0.729 0.000 1.940 354 A HA -0.310 4.010 4.320 0.001 0.000 0.219 354 A C 2.235 179.735 177.584 -0.140 0.000 1.176 354 A CA 1.935 53.696 52.037 -0.460 0.000 0.631 354 A CB -0.717 17.993 19.000 -0.483 0.000 0.814 354 A HN 0.672 nan 8.150 nan 0.000 0.446 355 Q N -0.988 118.753 119.800 -0.097 0.000 2.061 355 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 355 Q C 2.006 178.101 176.000 0.158 0.000 0.984 355 Q CA 1.803 57.630 55.803 0.040 0.000 0.846 355 Q CB -0.247 28.500 28.738 0.016 0.000 0.902 355 Q HN 0.532 nan 8.270 nan 0.000 0.421 356 L N 0.069 121.382 121.223 0.150 0.000 2.046 356 L HA -0.148 4.193 4.340 0.001 0.000 0.208 356 L C 2.222 179.237 176.870 0.241 0.000 1.077 356 L CA 1.380 56.372 54.840 0.254 0.000 0.747 356 L CB -0.625 41.649 42.059 0.359 0.000 0.896 356 L HN 0.094 nan 8.230 nan 0.000 0.432 357 V N -1.098 118.892 119.914 0.127 0.000 2.332 357 V HA -0.347 3.774 4.120 0.001 0.000 0.248 357 V C 2.256 178.413 176.094 0.105 0.000 1.055 357 V CA 2.160 64.508 62.300 0.080 0.000 1.038 357 V CB -0.873 30.948 31.823 -0.005 0.000 0.651 357 V HN 0.608 nan 8.190 nan 0.000 0.450 358 Y N -0.249 120.083 120.300 0.053 0.000 2.163 358 Y HA -0.253 4.297 4.550 0.001 0.000 0.288 358 Y C 2.248 178.208 175.900 0.100 0.000 1.136 358 Y CA 1.890 60.025 58.100 0.058 0.000 1.147 358 Y CB -0.431 38.061 38.460 0.053 0.000 0.987 358 Y HN 0.256 nan 8.280 nan 0.000 0.509 359 F N 0.466 120.544 119.950 0.213 0.000 2.095 359 F HA -0.235 4.292 4.527 0.001 0.000 0.298 359 F C 1.727 177.550 175.800 0.038 0.000 1.104 359 F CA 1.907 59.995 58.000 0.146 0.000 1.232 359 F CB -0.498 38.588 39.000 0.143 0.000 0.987 359 F HN 0.014 nan 8.300 nan 0.000 0.475 360 L N -0.573 120.707 121.223 0.094 0.000 2.478 360 L HA 0.070 4.410 4.340 0.001 0.000 0.223 360 L C 2.261 179.069 176.870 -0.104 0.000 1.140 360 L CA 0.736 55.560 54.840 -0.027 0.000 0.842 360 L CB -1.013 41.115 42.059 0.115 0.000 0.953 360 L HN 0.304 nan 8.230 nan 0.000 0.452 361 G N -0.991 107.724 108.800 -0.142 0.000 3.189 361 G HA2 0.023 3.983 3.960 0.001 0.000 0.225 361 G HA3 0.023 3.983 3.960 0.001 0.000 0.225 361 G C 0.631 175.389 174.900 -0.237 0.000 1.159 361 G CA -0.344 44.657 45.100 -0.165 0.000 0.763 361 G HN 0.159 nan 8.290 nan 0.000 0.549 362 N N 0.000 118.530 118.700 -0.284 0.000 1.763 362 N HA 0.000 4.740 4.740 0.001 0.000 0.220 362 N CA 0.000 52.887 53.050 -0.272 0.000 0.885 362 N CB 0.000 38.316 38.487 -0.286 0.000 1.341 362 N HN 0.000 nan 8.380 nan 0.000 0.667