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 2ap9_1_F DATA FIRST_RESID 6 DATA SEQUENCE IEALPTHIKA QVLAEALPWL KQLHGKVVVV KYGGNAXTDD TLRRAFAADX DATA SEQUENCE AFLRNCGIHP VVVHGGGPQI TAXLRRLGIE GDFKGGFRVT TPEVLDVARX DATA SEQUENCE VLFGQVGREL VNLINAHGPY AVGITGEDAQ LFTAVRRSVT VDGVATDIGL DATA SEQUENCE VGDVDQVNTA AXLDLVAAGR IPVVSTLAPD ADGVVHNINA DTAAAAVAEA DATA SEQUENCE LGAEKLLXLT DIDGLYTRWP DRDSLVSEID TGTLAQLLPT LELGXVPKVE DATA SEQUENCE ACLRAVIGGV PSAHIIDGRV THCVLVELFT DAGTGTKVVR GE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 176.119 176.117 0.003 0.000 1.063 6 I CA 0.000 61.301 61.300 0.002 0.000 1.566 6 I CB 0.000 38.001 38.000 0.002 0.000 1.214 7 E N 2.229 122.433 120.200 0.007 0.000 2.190 7 E HA 0.290 4.640 4.350 -0.000 0.000 0.191 7 E C 2.052 178.658 176.600 0.010 0.000 0.978 7 E CA 1.031 57.437 56.400 0.009 0.000 0.839 7 E CB 0.192 29.898 29.700 0.011 0.000 0.787 7 E HN 0.607 nan 8.360 nan 0.000 0.473 8 A N 0.820 123.646 122.820 0.011 0.000 2.251 8 A HA 0.154 4.474 4.320 -0.000 0.000 0.209 8 A C 0.838 178.430 177.584 0.014 0.000 1.187 8 A CA -0.260 51.785 52.037 0.014 0.000 0.823 8 A CB -0.219 18.790 19.000 0.015 0.000 0.846 8 A HN 0.317 nan 8.150 nan 0.000 0.486 9 L N 2.345 123.571 121.223 0.005 0.000 2.361 9 L HA 0.267 4.607 4.340 -0.000 0.000 0.278 9 L C -1.995 174.869 176.870 -0.009 0.000 1.113 9 L CA -2.172 52.663 54.840 -0.008 0.000 0.849 9 L CB 0.891 42.937 42.059 -0.021 0.000 1.155 9 L HN 0.084 nan 8.230 nan 0.000 0.452 10 P HA -0.022 nan 4.420 nan 0.000 0.264 10 P C 0.383 177.673 177.300 -0.016 0.000 1.183 10 P CA -0.035 63.092 63.100 0.044 0.000 0.763 10 P CB 0.716 32.517 31.700 0.169 0.000 0.807 11 T N 1.466 116.050 114.554 0.050 0.000 2.759 11 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 11 T C 1.638 176.351 174.700 0.022 0.000 1.042 11 T CA 1.865 63.983 62.100 0.030 0.000 1.140 11 T CB -0.932 67.966 68.868 0.051 0.000 0.864 11 T HN 0.663 nan 8.240 nan 0.000 0.455 12 H N 0.550 119.624 119.070 0.007 0.000 2.518 12 H HA 0.024 4.580 4.556 -0.000 0.000 0.289 12 H C 1.756 177.090 175.328 0.010 0.000 1.051 12 H CA 0.776 56.829 56.048 0.007 0.000 1.280 12 H CB -0.328 29.439 29.762 0.007 0.000 1.380 12 H HN 0.296 nan 8.280 nan 0.000 0.566 13 I N 1.243 121.487 120.570 -0.544 0.000 2.628 13 I HA -0.069 4.101 4.170 -0.000 0.000 0.255 13 I C 2.314 178.337 176.117 -0.157 0.000 1.119 13 I CA 0.337 61.399 61.300 -0.397 0.000 1.448 13 I CB -0.512 37.249 38.000 -0.397 0.000 1.133 13 I HN 0.118 nan 8.210 nan 0.000 0.438 14 K N 1.380 121.712 120.400 -0.113 0.000 2.074 14 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 14 K C 2.210 178.791 176.600 -0.032 0.000 1.048 14 K CA 1.801 58.055 56.287 -0.054 0.000 0.926 14 K CB -0.238 32.241 32.500 -0.035 0.000 0.713 14 K HN 0.276 nan 8.250 nan 0.000 0.444 15 A N 1.563 124.368 122.820 -0.025 0.000 1.908 15 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 15 A C 2.072 179.657 177.584 0.002 0.000 1.181 15 A CA 1.569 53.604 52.037 -0.003 0.000 0.627 15 A CB -0.531 18.478 19.000 0.014 0.000 0.818 15 A HN 0.345 nan 8.150 nan 0.000 0.445 16 Q N -0.517 119.279 119.800 -0.006 0.000 2.124 16 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 16 Q C 2.126 178.139 176.000 0.021 0.000 0.977 16 Q CA 1.589 57.398 55.803 0.009 0.000 0.850 16 Q CB -0.360 28.378 28.738 0.001 0.000 0.901 16 Q HN 0.543 nan 8.270 nan 0.000 0.429 17 V N 1.007 120.926 119.914 0.008 0.000 2.358 17 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 17 V C 2.154 178.275 176.094 0.045 0.000 1.047 17 V CA 1.446 63.761 62.300 0.026 0.000 1.035 17 V CB -0.481 31.343 31.823 0.001 0.000 0.658 17 V HN 0.322 nan 8.190 nan 0.000 0.452 18 L N 0.039 121.277 121.223 0.025 0.000 2.072 18 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 18 L C 2.751 179.644 176.870 0.039 0.000 1.079 18 L CA 1.393 56.249 54.840 0.026 0.000 0.752 18 L CB -0.770 41.293 42.059 0.007 0.000 0.906 18 L HN 0.348 nan 8.230 nan 0.000 0.436 19 A N 0.106 122.945 122.820 0.032 0.000 1.858 19 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 19 A C 2.021 179.633 177.584 0.047 0.000 1.190 19 A CA 1.490 53.543 52.037 0.027 0.000 0.617 19 A CB -0.535 18.475 19.000 0.017 0.000 0.827 19 A HN 0.420 nan 8.150 nan 0.000 0.443 20 E N -0.289 119.957 120.200 0.076 0.000 2.501 20 E HA -0.035 4.315 4.350 -0.000 0.000 0.203 20 E C 1.740 178.484 176.600 0.239 0.000 1.072 20 E CA 0.387 56.860 56.400 0.122 0.000 0.885 20 E CB -0.202 29.587 29.700 0.148 0.000 0.813 20 E HN 0.653 nan 8.360 nan 0.000 0.556 21 A N 0.440 123.400 122.820 0.234 0.000 1.997 21 A HA -0.025 4.295 4.320 -0.000 0.000 0.212 21 A C 1.935 179.691 177.584 0.287 0.000 1.178 21 A CA 0.045 52.327 52.037 0.408 0.000 0.698 21 A CB -0.177 18.968 19.000 0.243 0.000 0.842 21 A HN 0.243 nan 8.150 nan 0.000 0.458 22 L N 1.364 122.643 121.223 0.093 0.000 1.991 22 L HA -0.165 4.175 4.340 -0.000 0.000 0.221 22 L C -0.471 176.366 176.870 -0.056 0.000 1.079 22 L CA 3.221 58.069 54.840 0.013 0.000 0.778 22 L CB -1.290 40.749 42.059 -0.033 0.000 0.893 22 L HN 0.266 nan 8.230 nan 0.000 0.437 23 P HA -0.219 nan 4.420 nan 0.000 0.218 23 P C 1.213 178.258 177.300 -0.424 0.000 1.146 23 P CA 2.178 65.005 63.100 -0.455 0.000 0.813 23 P CB -0.373 30.860 31.700 -0.777 0.000 0.778 24 W N -0.352 121.015 121.300 0.112 0.000 2.526 24 W HA 0.170 4.830 4.660 0.000 0.000 0.294 24 W C 2.641 179.276 176.519 0.194 0.000 1.181 24 W CA -0.395 57.021 57.345 0.119 0.000 1.373 24 W CB -1.119 28.414 29.460 0.122 0.000 1.112 24 W HN -0.234 nan 8.180 nan 0.000 0.545 25 L N 0.973 122.488 121.223 0.486 0.000 2.127 25 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 25 L C 2.508 179.512 176.870 0.222 0.000 1.089 25 L CA 1.410 56.479 54.840 0.383 0.000 0.757 25 L CB -0.638 41.548 42.059 0.212 0.000 0.899 25 L HN 0.016 nan 8.230 nan 0.000 0.434 26 K N -0.393 120.083 120.400 0.126 0.000 2.103 26 K HA -0.207 4.113 4.320 -0.000 0.000 0.204 26 K C 2.188 178.844 176.600 0.092 0.000 1.052 26 K CA 1.078 57.400 56.287 0.059 0.000 0.945 26 K CB 0.049 32.539 32.500 -0.016 0.000 0.722 26 K HN 0.278 nan 8.250 nan 0.000 0.443 27 Q N 0.272 120.141 119.800 0.115 0.000 2.245 27 Q HA -0.067 4.273 4.340 -0.000 0.000 0.201 27 Q C 1.710 177.788 176.000 0.129 0.000 0.955 27 Q CA 0.839 56.713 55.803 0.120 0.000 0.870 27 Q CB 0.289 29.126 28.738 0.166 0.000 0.945 27 Q HN 0.346 nan 8.270 nan 0.000 0.461 28 L N -0.716 120.602 121.223 0.158 0.000 2.463 28 L HA 0.104 4.444 4.340 -0.000 0.000 0.219 28 L C 0.692 177.605 176.870 0.071 0.000 1.088 28 L CA -0.262 54.643 54.840 0.108 0.000 0.849 28 L CB -0.071 42.056 42.059 0.115 0.000 1.012 28 L HN 0.190 nan 8.230 nan 0.000 0.468 29 H N 0.777 119.860 119.070 0.022 0.000 3.167 29 H HA 0.126 4.682 4.556 -0.000 0.000 0.306 29 H C 1.282 176.569 175.328 -0.068 0.000 0.965 29 H CA 0.942 56.967 56.048 -0.038 0.000 1.408 29 H CB 0.444 30.194 29.762 -0.019 0.000 1.406 29 H HN 0.300 nan 8.280 nan 0.000 0.576 30 G N 3.755 112.184 108.800 -0.619 0.000 2.189 30 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.267 30 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.267 30 G C 0.126 174.957 174.900 -0.114 0.000 0.975 30 G CA 0.483 45.356 45.100 -0.378 0.000 0.644 30 G HN 0.597 nan 8.290 nan 0.000 0.537 31 K N 0.031 120.360 120.400 -0.119 0.000 2.123 31 K HA 0.668 4.988 4.320 -0.000 0.000 0.248 31 K C 0.375 176.999 176.600 0.041 0.000 0.969 31 K CA -0.743 55.552 56.287 0.013 0.000 0.882 31 K CB 2.171 34.682 32.500 0.019 0.000 1.080 31 K HN 0.068 nan 8.250 nan 0.000 0.441 32 V N 1.559 121.528 119.914 0.092 0.000 2.567 32 V HA 0.283 4.403 4.120 -0.000 0.000 0.289 32 V C -0.146 175.977 176.094 0.048 0.000 1.049 32 V CA -0.711 61.647 62.300 0.097 0.000 0.969 32 V CB 1.629 33.499 31.823 0.080 0.000 0.995 32 V HN 0.382 nan 8.190 nan 0.000 0.471 33 V N 4.980 124.919 119.914 0.042 0.000 2.488 33 V HA 0.311 4.431 4.120 -0.000 0.000 0.293 33 V C -0.318 175.794 176.094 0.030 0.000 1.027 33 V CA -0.567 61.745 62.300 0.020 0.000 0.862 33 V CB 1.887 33.706 31.823 -0.007 0.000 1.008 33 V HN 0.593 nan 8.190 nan 0.000 0.428 34 V N 5.864 125.796 119.914 0.031 0.000 2.461 34 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 34 V C 0.018 176.148 176.094 0.060 0.000 1.047 34 V CA -0.288 62.037 62.300 0.042 0.000 0.955 34 V CB 1.635 33.472 31.823 0.022 0.000 0.988 34 V HN 0.600 nan 8.190 nan 0.000 0.471 35 V N 5.395 125.370 119.914 0.101 0.000 2.409 35 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 35 V C 0.139 176.348 176.094 0.192 0.000 1.020 35 V CA -0.980 61.416 62.300 0.161 0.000 0.848 35 V CB 1.825 33.794 31.823 0.244 0.000 0.990 35 V HN 0.729 nan 8.190 nan 0.000 0.430 36 K N 4.410 124.897 120.400 0.144 0.000 2.263 36 K HA 0.237 4.557 4.320 -0.000 0.000 0.282 36 K C -1.243 175.436 176.600 0.131 0.000 1.089 36 K CA -0.463 55.895 56.287 0.118 0.000 0.907 36 K CB 0.598 33.129 32.500 0.051 0.000 1.148 36 K HN 0.641 nan 8.250 nan 0.000 0.470 37 Y N 2.355 122.637 120.300 -0.030 0.000 2.316 37 Y HA 0.469 5.019 4.550 -0.000 0.000 0.331 37 Y C 0.288 176.111 175.900 -0.129 0.000 1.083 37 Y CA 0.437 58.404 58.100 -0.222 0.000 1.206 37 Y CB 1.058 39.337 38.460 -0.300 0.000 1.195 37 Y HN 0.779 nan 8.280 nan 0.000 0.497 38 G N 1.759 110.224 108.800 -0.559 0.000 2.340 38 G HA2 0.528 4.488 3.960 -0.000 0.000 0.298 38 G HA3 0.528 4.488 3.960 -0.000 0.000 0.298 38 G C -0.483 174.197 174.900 -0.366 0.000 1.498 38 G CA 0.092 44.929 45.100 -0.437 0.000 0.847 38 G HN 1.539 nan 8.290 nan 0.000 0.594 39 G N 0.485 109.125 108.800 -0.266 0.000 2.512 39 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.240 39 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.240 39 G C 0.930 175.711 174.900 -0.198 0.000 1.246 39 G CA 0.825 45.815 45.100 -0.183 0.000 0.919 39 G HN 1.445 nan 8.290 nan 0.000 0.577 40 N N 1.179 119.798 118.700 -0.135 0.000 2.272 40 N HA 0.199 4.939 4.740 -0.000 0.000 0.185 40 N C 1.823 177.252 175.510 -0.135 0.000 1.014 40 N CA 1.883 54.870 53.050 -0.105 0.000 0.870 40 N CB -0.454 37.997 38.487 -0.061 0.000 0.975 40 N HN 1.190 nan 8.380 nan 0.000 0.433 44 D N 3.004 123.390 120.400 -0.023 0.000 2.450 44 D HA 0.007 4.647 4.640 -0.000 0.000 0.247 44 D C 0.642 176.952 176.300 0.016 0.000 1.162 44 D CA 0.341 54.339 54.000 -0.004 0.000 0.879 44 D CB 1.104 41.900 40.800 -0.007 0.000 1.163 44 D HN 0.320 nan 8.370 nan 0.000 0.472 45 D N 2.555 122.967 120.400 0.019 0.000 2.097 45 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 45 D C 1.194 177.515 176.300 0.035 0.000 0.989 45 D CA 1.186 55.205 54.000 0.031 0.000 0.827 45 D CB 0.399 41.213 40.800 0.023 0.000 0.966 45 D HN 0.428 nan 8.370 nan 0.000 0.456 46 T N 1.225 115.791 114.554 0.020 0.000 2.788 46 T HA -0.095 4.255 4.350 -0.000 0.000 0.268 46 T C 2.137 176.836 174.700 -0.002 0.000 1.044 46 T CA 0.632 62.738 62.100 0.010 0.000 1.139 46 T CB -0.136 68.732 68.868 0.001 0.000 0.867 46 T HN 0.173 nan 8.240 nan 0.000 0.454 47 L N 1.064 122.293 121.223 0.011 0.000 2.005 47 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 47 L C 2.976 179.909 176.870 0.104 0.000 1.072 47 L CA 1.511 56.365 54.840 0.023 0.000 0.744 47 L CB -0.552 41.519 42.059 0.021 0.000 0.895 47 L HN 0.335 nan 8.230 nan 0.000 0.433 48 R N 0.246 120.832 120.500 0.144 0.000 2.096 48 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 48 R C 2.247 178.673 176.300 0.210 0.000 1.127 48 R CA 1.198 57.449 56.100 0.252 0.000 0.968 48 R CB -0.568 29.877 30.300 0.241 0.000 0.861 48 R HN 0.235 nan 8.270 nan 0.000 0.440 49 R N 0.585 121.162 120.500 0.129 0.000 2.120 49 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 49 R C 2.347 178.715 176.300 0.113 0.000 1.123 49 R CA 1.462 57.633 56.100 0.118 0.000 0.975 49 R CB -0.205 30.143 30.300 0.081 0.000 0.866 49 R HN 0.423 nan 8.270 nan 0.000 0.446 50 A N -0.117 122.726 122.820 0.037 0.000 1.930 50 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 50 A C 1.832 179.441 177.584 0.043 0.000 1.176 50 A CA 0.595 52.570 52.037 -0.104 0.000 0.632 50 A CB -0.461 18.247 19.000 -0.485 0.000 0.819 50 A HN 0.365 nan 8.150 nan 0.000 0.445 51 F N 1.262 121.202 119.950 -0.016 0.000 2.102 51 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 51 F C 2.474 178.261 175.800 -0.023 0.000 1.105 51 F CA 1.229 59.230 58.000 0.001 0.000 1.239 51 F CB -0.408 38.607 39.000 0.025 0.000 0.991 51 F HN 0.237 nan 8.300 nan 0.000 0.474 52 A N 0.325 123.170 122.820 0.041 0.000 1.933 52 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 52 A C 2.391 179.906 177.584 -0.113 0.000 1.175 52 A CA 1.740 53.764 52.037 -0.022 0.000 0.628 52 A CB -1.542 17.549 19.000 0.151 0.000 0.814 52 A HN 0.505 nan 8.150 nan 0.000 0.444 53 A N -0.242 122.546 122.820 -0.052 0.000 1.930 53 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 53 A C 1.029 178.520 177.584 -0.155 0.000 1.175 53 A CA 1.181 53.089 52.037 -0.215 0.000 0.627 53 A CB -0.443 18.614 19.000 0.094 0.000 0.815 53 A HN 0.473 nan 8.150 nan 0.000 0.443 57 F N 1.942 121.771 119.950 -0.203 0.000 2.051 57 F HA -0.086 4.441 4.527 -0.000 0.000 0.296 57 F C 1.925 177.646 175.800 -0.133 0.000 1.122 57 F CA 2.515 60.422 58.000 -0.155 0.000 1.201 57 F CB -0.173 38.752 39.000 -0.126 0.000 0.978 57 F HN 0.200 nan 8.300 nan 0.000 0.472 58 L N -0.018 121.329 121.223 0.208 0.000 2.042 58 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 58 L C 2.749 179.568 176.870 -0.085 0.000 1.076 58 L CA 1.432 56.344 54.840 0.120 0.000 0.749 58 L CB -0.851 41.263 42.059 0.091 0.000 0.893 58 L HN 0.139 nan 8.230 nan 0.000 0.432 59 R N 0.818 121.217 120.500 -0.168 0.000 2.081 59 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 59 R C 1.385 177.510 176.300 -0.292 0.000 1.131 59 R CA 1.436 57.372 56.100 -0.273 0.000 0.960 59 R CB -0.462 29.549 30.300 -0.482 0.000 0.856 59 R HN 0.437 nan 8.270 nan 0.000 0.436 60 N N -0.178 118.339 118.700 -0.305 0.000 2.421 60 N HA -0.026 4.714 4.740 -0.000 0.000 0.201 60 N C 0.314 175.661 175.510 -0.271 0.000 1.198 60 N CA 0.243 53.134 53.050 -0.265 0.000 0.838 60 N CB 0.060 38.402 38.487 -0.243 0.000 1.011 60 N HN 0.214 nan 8.380 nan 0.000 0.463 61 C N -1.354 117.799 119.300 -0.246 0.000 3.491 61 C HA 0.330 4.790 4.460 -0.000 0.000 0.298 61 C C 1.591 176.547 174.990 -0.056 0.000 1.424 61 C CA 0.144 59.053 59.018 -0.181 0.000 1.772 61 C CB -0.218 27.395 27.740 -0.211 0.000 2.447 61 C HN 0.569 nan 8.230 nan 0.000 0.670 62 G N 1.382 110.077 108.800 -0.174 0.000 2.157 62 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.239 62 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.239 62 G C -0.104 174.418 174.900 -0.630 0.000 0.982 62 G CA 0.014 44.890 45.100 -0.374 0.000 0.650 62 G HN 0.374 nan 8.290 nan 0.000 0.527 63 I N 1.211 121.542 120.570 -0.398 0.000 2.577 63 I HA 0.414 4.584 4.170 -0.000 0.000 0.300 63 I C 0.101 175.973 176.117 -0.409 0.000 0.990 63 I CA -0.885 60.183 61.300 -0.387 0.000 1.283 63 I CB 0.856 38.800 38.000 -0.094 0.000 1.411 63 I HN 0.041 nan 8.210 nan 0.000 0.515 64 H N 4.339 123.369 119.070 -0.067 0.000 2.683 64 H HA 0.333 4.889 4.556 -0.000 0.000 0.270 64 H C -2.349 172.959 175.328 -0.034 0.000 1.201 64 H CA -2.088 53.925 56.048 -0.058 0.000 1.277 64 H CB 0.512 30.244 29.762 -0.050 0.000 1.400 64 H HN 0.297 nan 8.280 nan 0.000 0.504 65 P HA 0.131 nan 4.420 nan 0.000 0.285 65 P C -0.234 177.096 177.300 0.050 0.000 1.259 65 P CA -0.522 62.596 63.100 0.031 0.000 0.794 65 P CB 2.069 33.757 31.700 -0.019 0.000 0.940 66 V N 4.329 124.278 119.914 0.058 0.000 2.419 66 V HA 0.143 4.263 4.120 -0.000 0.000 0.287 66 V C 0.295 176.446 176.094 0.094 0.000 1.017 66 V CA -0.752 61.590 62.300 0.070 0.000 0.844 66 V CB 1.901 33.757 31.823 0.056 0.000 1.011 66 V HN 0.279 nan 8.190 nan 0.000 0.429 67 V N 5.705 125.695 119.914 0.126 0.000 2.498 67 V HA 0.457 4.577 4.120 -0.000 0.000 0.279 67 V C 0.004 176.204 176.094 0.178 0.000 1.048 67 V CA -0.366 62.047 62.300 0.188 0.000 0.967 67 V CB 1.716 33.681 31.823 0.236 0.000 0.988 67 V HN 0.580 nan 8.190 nan 0.000 0.473 68 V N 5.324 125.340 119.914 0.170 0.000 2.443 68 V HA 0.480 4.600 4.120 -0.000 0.000 0.293 68 V C -0.373 175.814 176.094 0.155 0.000 1.021 68 V CA -0.666 61.692 62.300 0.097 0.000 0.848 68 V CB 1.389 33.225 31.823 0.020 0.000 0.998 68 V HN 1.151 nan 8.190 nan 0.000 0.424 69 H N 2.423 121.585 119.070 0.153 0.000 2.754 69 H HA 0.975 5.531 4.556 -0.000 0.000 0.352 69 H C -0.014 175.371 175.328 0.095 0.000 1.213 69 H CA -0.343 55.801 56.048 0.161 0.000 1.244 69 H CB 2.091 32.006 29.762 0.256 0.000 1.843 69 H HN 0.750 nan 8.280 nan 0.000 0.587 70 G N -1.833 107.128 108.800 0.269 0.000 2.949 70 G HA2 0.566 4.526 3.960 -0.000 0.000 0.285 70 G HA3 0.566 4.526 3.960 -0.000 0.000 0.285 70 G C -0.645 174.384 174.900 0.216 0.000 1.395 70 G CA -0.654 44.540 45.100 0.157 0.000 0.901 70 G HN 0.952 nan 8.290 nan 0.000 0.519 71 G N -2.366 106.504 108.800 0.116 0.000 3.359 71 G HA2 0.671 4.631 3.960 -0.000 0.000 0.187 71 G HA3 0.671 4.631 3.960 -0.000 0.000 0.187 71 G C 0.780 175.703 174.900 0.039 0.000 1.294 71 G CA 0.883 46.034 45.100 0.086 0.000 0.769 71 G HN 2.181 nan 8.290 nan 0.000 0.733 72 G N 0.052 108.873 108.800 0.036 0.000 4.240 72 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.254 72 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.254 72 G C -1.090 173.824 174.900 0.025 0.000 1.712 72 G CA 0.811 45.926 45.100 0.025 0.000 1.374 72 G HN 0.598 nan 8.290 nan 0.000 0.631 73 P HA 0.009 nan 4.420 nan 0.000 0.215 73 P C 1.818 179.129 177.300 0.018 0.000 1.153 73 P CA 2.072 65.181 63.100 0.016 0.000 0.853 73 P CB -0.163 31.538 31.700 0.002 0.000 0.788 74 Q N -0.953 118.858 119.800 0.017 0.000 2.084 74 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 74 Q C 2.018 178.036 176.000 0.028 0.000 0.978 74 Q CA 1.371 57.187 55.803 0.021 0.000 0.844 74 Q CB -1.171 27.582 28.738 0.025 0.000 0.898 74 Q HN 0.219 nan 8.270 nan 0.000 0.426 75 I N -0.140 120.450 120.570 0.033 0.000 2.226 75 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 75 I C 2.008 178.140 176.117 0.025 0.000 1.100 75 I CA 1.563 62.882 61.300 0.031 0.000 1.374 75 I CB -0.717 37.300 38.000 0.029 0.000 1.057 75 I HN 0.166 nan 8.210 nan 0.000 0.413 76 T N 0.797 115.368 114.554 0.028 0.000 2.821 76 T HA 0.026 4.376 4.350 -0.000 0.000 0.267 76 T C 1.182 175.903 174.700 0.035 0.000 1.046 76 T CA 0.935 63.056 62.100 0.035 0.000 1.139 76 T CB -0.470 68.426 68.868 0.048 0.000 0.871 76 T HN 0.413 nan 8.240 nan 0.000 0.454 80 R N 0.805 121.325 120.500 0.033 0.000 2.048 80 R HA 0.056 4.396 4.340 -0.000 0.000 0.224 80 R C 2.236 178.552 176.300 0.027 0.000 1.163 80 R CA 0.776 56.898 56.100 0.035 0.000 0.956 80 R CB 0.028 30.350 30.300 0.038 0.000 0.849 80 R HN 0.017 nan 8.270 nan 0.000 0.435 81 R N 0.854 121.368 120.500 0.023 0.000 2.170 81 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 81 R C 1.989 178.300 176.300 0.018 0.000 1.145 81 R CA 1.156 57.267 56.100 0.019 0.000 0.984 81 R CB -0.411 29.899 30.300 0.017 0.000 0.869 81 R HN 0.235 nan 8.270 nan 0.000 0.455 82 L N -1.688 119.546 121.223 0.019 0.000 2.084 82 L HA 0.121 4.461 4.340 -0.000 0.000 0.202 82 L C 1.692 178.573 176.870 0.018 0.000 1.074 82 L CA 2.281 57.131 54.840 0.017 0.000 0.757 82 L CB -0.206 41.864 42.059 0.017 0.000 0.918 82 L HN 0.443 nan 8.230 nan 0.000 0.444 83 G N -1.964 106.848 108.800 0.021 0.000 2.738 83 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.195 83 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.195 83 G C 0.202 175.118 174.900 0.025 0.000 1.001 83 G CA -0.101 45.012 45.100 0.022 0.000 0.759 83 G HN 0.133 nan 8.290 nan 0.000 0.494 84 I N 3.323 123.907 120.570 0.023 0.000 2.872 84 I HA 0.122 4.292 4.170 -0.000 0.000 0.287 84 I C 0.350 176.489 176.117 0.036 0.000 1.197 84 I CA 0.442 61.756 61.300 0.023 0.000 1.390 84 I CB 0.388 38.396 38.000 0.013 0.000 1.400 84 I HN 0.042 nan 8.210 nan 0.000 0.544 85 E N 5.639 125.865 120.200 0.043 0.000 2.289 85 E HA 0.238 4.588 4.350 -0.000 0.000 0.278 85 E C 0.424 177.076 176.600 0.086 0.000 1.032 85 E CA -0.226 56.217 56.400 0.072 0.000 0.854 85 E CB 1.333 31.072 29.700 0.065 0.000 1.046 85 E HN 0.713 nan 8.360 nan 0.000 0.409 86 G N 2.852 111.750 108.800 0.164 0.000 2.360 86 G HA2 0.019 3.979 3.960 -0.000 0.000 0.279 86 G HA3 0.019 3.979 3.960 -0.000 0.000 0.279 86 G C -0.110 174.938 174.900 0.247 0.000 1.189 86 G CA -0.339 44.836 45.100 0.124 0.000 0.941 86 G HN 0.353 nan 8.290 nan 0.000 0.445 87 D N 2.925 123.359 120.400 0.057 0.000 2.638 87 D HA 0.182 4.822 4.640 -0.000 0.000 0.245 87 D C 0.436 176.791 176.300 0.091 0.000 1.176 87 D CA -0.147 53.925 54.000 0.120 0.000 0.996 87 D CB 0.285 41.117 40.800 0.054 0.000 1.012 87 D HN 0.128 nan 8.370 nan 0.000 0.515 88 F N 1.197 121.160 119.950 0.022 0.000 2.646 88 F HA 0.010 4.537 4.527 -0.000 0.000 0.321 88 F C 1.251 177.069 175.800 0.030 0.000 1.241 88 F CA 0.363 58.380 58.000 0.029 0.000 1.365 88 F CB 0.387 39.392 39.000 0.008 0.000 1.143 88 F HN -0.058 nan 8.300 nan 0.000 0.601 89 K N -0.033 120.537 120.400 0.284 0.000 2.729 89 K HA 0.401 4.721 4.320 -0.000 0.000 0.269 89 K C -0.424 176.185 176.600 0.015 0.000 1.065 89 K CA 0.083 56.462 56.287 0.154 0.000 1.000 89 K CB 1.128 33.733 32.500 0.174 0.000 1.283 89 K HN 0.818 nan 8.250 nan 0.000 0.491 90 G N 2.713 111.480 108.800 -0.053 0.000 2.216 90 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.263 90 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.263 90 G C 0.883 175.505 174.900 -0.463 0.000 0.837 90 G CA 1.311 46.286 45.100 -0.208 0.000 1.227 90 G HN 1.566 nan 8.290 nan 0.000 0.407 91 G N -1.402 107.256 108.800 -0.237 0.000 2.157 91 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.248 91 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.248 91 G C 0.236 175.070 174.900 -0.110 0.000 0.979 91 G CA 0.263 45.221 45.100 -0.237 0.000 0.650 91 G HN 1.196 nan 8.290 nan 0.000 0.529 92 F N -0.642 119.405 119.950 0.160 0.000 2.508 92 F HA 0.622 5.149 4.527 -0.000 0.000 0.325 92 F C 1.352 177.092 175.800 -0.099 0.000 1.090 92 F CA -1.492 56.534 58.000 0.043 0.000 0.945 92 F CB 1.425 40.431 39.000 0.011 0.000 1.156 92 F HN -0.178 nan 8.300 nan 0.000 0.463 93 R N 0.826 121.307 120.500 -0.031 0.000 2.148 93 R HA -0.005 4.335 4.340 -0.000 0.000 0.227 93 R C 0.042 176.114 176.300 -0.381 0.000 1.103 93 R CA 0.527 56.371 56.100 -0.426 0.000 0.983 93 R CB -0.138 30.020 30.300 -0.236 0.000 0.874 93 R HN 0.609 nan 8.270 nan 0.000 0.451 94 V N 1.848 121.672 119.914 -0.150 0.000 5.198 94 V HA -0.201 3.919 4.120 -0.000 0.000 0.348 94 V C -0.327 175.691 176.094 -0.127 0.000 0.661 94 V CA 1.109 63.344 62.300 -0.109 0.000 1.358 94 V CB -1.978 29.788 31.823 -0.095 0.000 1.628 94 V HN 0.266 nan 8.190 nan 0.000 0.466 95 T N 3.915 118.401 114.554 -0.113 0.000 2.775 95 T HA 0.365 4.715 4.350 -0.000 0.000 0.281 95 T C 0.849 175.493 174.700 -0.093 0.000 0.908 95 T CA 0.705 62.743 62.100 -0.103 0.000 1.123 95 T CB 0.397 69.204 68.868 -0.102 0.000 0.879 95 T HN 1.096 nan 8.240 nan 0.000 0.547 96 T N 1.906 116.415 114.554 -0.076 0.000 2.849 96 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 96 T C -1.626 173.044 174.700 -0.050 0.000 1.004 96 T CA -2.049 60.016 62.100 -0.058 0.000 1.021 96 T CB 0.934 69.777 68.868 -0.042 0.000 1.013 96 T HN 0.041 nan 8.240 nan 0.000 0.527 97 P HA -0.162 nan 4.420 nan 0.000 0.217 97 P C 1.396 178.686 177.300 -0.017 0.000 1.151 97 P CA 1.311 64.395 63.100 -0.027 0.000 0.849 97 P CB 0.088 31.779 31.700 -0.016 0.000 0.787 98 E N -0.545 119.645 120.200 -0.015 0.000 2.107 98 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 98 E C 1.743 178.337 176.600 -0.010 0.000 0.982 98 E CA 0.866 57.261 56.400 -0.008 0.000 0.809 98 E CB -0.195 29.502 29.700 -0.006 0.000 0.756 98 E HN -0.016 nan 8.360 nan 0.000 0.459 99 V N 1.570 121.470 119.914 -0.023 0.000 2.407 99 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 99 V C 2.488 178.570 176.094 -0.019 0.000 1.055 99 V CA 1.453 63.737 62.300 -0.027 0.000 1.049 99 V CB -0.553 31.238 31.823 -0.052 0.000 0.662 99 V HN 0.319 nan 8.190 nan 0.000 0.455 100 L N 0.654 121.864 121.223 -0.022 0.000 2.012 100 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 100 L C 1.992 178.867 176.870 0.008 0.000 1.073 100 L CA 2.339 57.172 54.840 -0.011 0.000 0.748 100 L CB -0.767 41.284 42.059 -0.014 0.000 0.891 100 L HN 0.302 nan 8.230 nan 0.000 0.431 101 D N -1.128 119.278 120.400 0.009 0.000 2.133 101 D HA -0.199 4.441 4.640 -0.000 0.000 0.195 101 D C 2.184 178.501 176.300 0.029 0.000 0.997 101 D CA 1.739 55.751 54.000 0.020 0.000 0.840 101 D CB -0.050 40.759 40.800 0.016 0.000 0.947 101 D HN 0.279 nan 8.370 nan 0.000 0.452 102 V N 0.532 120.459 119.914 0.022 0.000 2.379 102 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 102 V C 2.355 178.472 176.094 0.038 0.000 1.044 102 V CA 1.556 63.872 62.300 0.027 0.000 1.036 102 V CB -0.826 31.007 31.823 0.017 0.000 0.664 102 V HN 0.217 nan 8.190 nan 0.000 0.453 103 A N 0.497 123.336 122.820 0.031 0.000 1.851 103 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 103 A C 1.823 179.450 177.584 0.071 0.000 1.195 103 A CA 1.502 53.565 52.037 0.042 0.000 0.622 103 A CB -0.461 18.553 19.000 0.024 0.000 0.831 103 A HN 0.536 nan 8.150 nan 0.000 0.444 107 L N -0.108 121.225 121.223 0.183 0.000 1.989 107 L HA -0.171 4.169 4.340 -0.000 0.000 0.211 107 L C 2.220 179.331 176.870 0.401 0.000 1.071 107 L CA 2.832 57.856 54.840 0.307 0.000 0.749 107 L CB -0.439 41.785 42.059 0.274 0.000 0.890 107 L HN 0.472 nan 8.230 nan 0.000 0.431 108 F N -0.036 120.004 119.950 0.150 0.000 2.179 108 F HA -0.015 4.512 4.527 -0.000 0.000 0.292 108 F C 2.213 178.065 175.800 0.086 0.000 1.089 108 F CA 0.936 59.015 58.000 0.131 0.000 1.295 108 F CB -0.071 38.980 39.000 0.086 0.000 1.041 108 F HN -0.002 nan 8.300 nan 0.000 0.487 109 G N -1.012 107.833 108.800 0.075 0.000 2.920 109 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.208 109 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.208 109 G C 0.979 175.854 174.900 -0.042 0.000 1.159 109 G CA 0.548 45.613 45.100 -0.059 0.000 0.784 109 G HN 0.447 nan 8.290 nan 0.000 0.535 110 Q N -1.424 118.374 119.800 -0.003 0.000 2.258 110 Q HA 0.098 4.438 4.340 -0.000 0.000 0.173 110 Q C 2.302 178.286 176.000 -0.027 0.000 0.618 110 Q CA 0.156 55.952 55.803 -0.011 0.000 0.841 110 Q CB 0.009 28.754 28.738 0.012 0.000 1.177 110 Q HN 0.052 nan 8.270 nan 0.000 0.441 111 V N 1.175 121.079 119.914 -0.017 0.000 2.252 111 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 111 V C 2.251 178.205 176.094 -0.234 0.000 1.056 111 V CA 2.323 64.561 62.300 -0.104 0.000 1.022 111 V CB -1.240 30.527 31.823 -0.093 0.000 0.641 111 V HN 0.645 nan 8.190 nan 0.000 0.445 112 G N -0.237 108.430 108.800 -0.222 0.000 2.418 112 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 112 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 112 G C 1.692 176.550 174.900 -0.070 0.000 1.158 112 G CA 0.506 45.526 45.100 -0.133 0.000 0.771 112 G HN 0.312 nan 8.290 nan 0.000 0.545 113 R N 0.730 121.178 120.500 -0.087 0.000 2.096 113 R HA -0.074 4.266 4.340 -0.000 0.000 0.240 113 R C 2.442 178.714 176.300 -0.048 0.000 1.139 113 R CA 1.286 57.336 56.100 -0.085 0.000 0.952 113 R CB -0.784 29.461 30.300 -0.093 0.000 0.854 113 R HN 0.420 nan 8.270 nan 0.000 0.436 114 E N 0.992 121.167 120.200 -0.041 0.000 2.065 114 E HA -0.219 4.131 4.350 -0.000 0.000 0.201 114 E C 2.227 178.828 176.600 0.002 0.000 1.016 114 E CA 0.977 57.369 56.400 -0.013 0.000 0.818 114 E CB -0.567 29.131 29.700 -0.003 0.000 0.749 114 E HN 0.304 nan 8.360 nan 0.000 0.453 115 L N 0.781 121.998 121.223 -0.010 0.000 1.989 115 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 115 L C 2.603 179.487 176.870 0.023 0.000 1.071 115 L CA 1.082 55.920 54.840 -0.004 0.000 0.749 115 L CB -0.276 41.759 42.059 -0.040 0.000 0.890 115 L HN 0.006 nan 8.230 nan 0.000 0.431 116 V N 0.216 120.143 119.914 0.022 0.000 2.252 116 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 116 V C 2.218 178.327 176.094 0.026 0.000 1.056 116 V CA 2.225 64.545 62.300 0.034 0.000 1.022 116 V CB -0.876 30.956 31.823 0.015 0.000 0.641 116 V HN 0.539 nan 8.190 nan 0.000 0.445 117 N N -0.076 118.627 118.700 0.005 0.000 2.223 117 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 117 N C 1.833 177.351 175.510 0.013 0.000 1.016 117 N CA 1.315 54.364 53.050 -0.002 0.000 0.863 117 N CB -0.269 38.209 38.487 -0.014 0.000 0.983 117 N HN 0.415 nan 8.380 nan 0.000 0.429 118 L N 0.796 122.040 121.223 0.036 0.000 2.056 118 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 118 L C 2.147 179.093 176.870 0.127 0.000 1.078 118 L CA 0.704 55.584 54.840 0.066 0.000 0.749 118 L CB -0.233 41.876 42.059 0.083 0.000 0.901 118 L HN 0.094 nan 8.230 nan 0.000 0.433 119 I N -0.077 120.571 120.570 0.129 0.000 2.163 119 I HA -0.245 3.925 4.170 -0.000 0.000 0.240 119 I C 1.689 177.935 176.117 0.216 0.000 1.081 119 I CA 1.330 62.749 61.300 0.199 0.000 1.353 119 I CB -1.350 36.733 38.000 0.139 0.000 1.054 119 I HN 0.335 nan 8.210 nan 0.000 0.407 120 N N 1.631 120.378 118.700 0.078 0.000 2.666 120 N HA -0.036 4.704 4.740 -0.000 0.000 0.194 120 N C 1.501 176.962 175.510 -0.083 0.000 1.220 120 N CA 0.730 53.758 53.050 -0.037 0.000 0.928 120 N CB -0.122 38.335 38.487 -0.051 0.000 0.997 120 N HN 0.354 nan 8.380 nan 0.000 0.447 121 A N -0.368 122.414 122.820 -0.064 0.000 2.208 121 A HA -0.033 4.287 4.320 -0.000 0.000 0.209 121 A C 1.307 178.678 177.584 -0.354 0.000 1.161 121 A CA 0.616 52.529 52.037 -0.208 0.000 0.782 121 A CB -0.164 18.688 19.000 -0.248 0.000 0.816 121 A HN 0.350 nan 8.150 nan 0.000 0.477 122 H N -1.332 117.708 119.070 -0.050 0.000 2.885 122 H HA 0.352 4.908 4.556 -0.000 0.000 0.260 122 H C 0.944 176.135 175.328 -0.228 0.000 0.985 122 H CA 0.838 56.876 56.048 -0.016 0.000 1.210 122 H CB 0.969 30.827 29.762 0.161 0.000 1.466 122 H HN 0.532 nan 8.280 nan 0.000 0.493 123 G N 0.977 109.495 108.800 -0.470 0.000 2.336 123 G HA2 0.021 3.981 3.960 -0.000 0.000 0.300 123 G HA3 0.021 3.981 3.960 -0.000 0.000 0.300 123 G C -3.005 171.316 174.900 -0.966 0.000 1.375 123 G CA -1.113 43.434 45.100 -0.922 0.000 0.885 123 G HN -0.261 nan 8.290 nan 0.000 0.599 124 P HA 0.250 nan 4.420 nan 0.000 0.235 124 P C -0.219 177.038 177.300 -0.071 0.000 1.765 124 P CA 0.281 63.231 63.100 -0.250 0.000 1.034 124 P CB -0.729 30.906 31.700 -0.109 0.000 1.984 125 Y N 0.621 120.941 120.300 0.033 0.000 2.331 125 Y HA 0.311 4.861 4.550 -0.000 0.000 0.282 125 Y C 1.638 177.558 175.900 0.034 0.000 1.140 125 Y CA -0.774 57.345 58.100 0.032 0.000 1.198 125 Y CB -0.553 37.926 38.460 0.033 0.000 1.159 125 Y HN -0.024 nan 8.280 nan 0.000 0.512 126 A N 1.516 124.463 122.820 0.212 0.000 2.511 126 A HA 0.392 4.712 4.320 -0.000 0.000 0.242 126 A C -0.593 177.051 177.584 0.100 0.000 1.069 126 A CA 0.220 52.339 52.037 0.136 0.000 0.763 126 A CB -0.108 18.959 19.000 0.112 0.000 1.001 126 A HN 0.130 nan 8.150 nan 0.000 0.498 127 V N 2.448 122.425 119.914 0.105 0.000 2.612 127 V HA 0.535 4.655 4.120 -0.000 0.000 0.301 127 V C 0.645 176.821 176.094 0.136 0.000 1.059 127 V CA -0.141 62.218 62.300 0.099 0.000 0.886 127 V CB 1.803 33.681 31.823 0.093 0.000 1.007 127 V HN 1.280 nan 8.190 nan 0.000 0.426 128 G N 5.723 114.608 108.800 0.142 0.000 2.372 128 G HA2 0.697 4.657 3.960 -0.000 0.000 0.283 128 G HA3 0.697 4.657 3.960 -0.000 0.000 0.283 128 G C -0.579 174.571 174.900 0.417 0.000 1.177 128 G CA -0.175 45.079 45.100 0.256 0.000 0.842 128 G HN 0.757 nan 8.290 nan 0.000 0.503 129 I N -0.494 120.339 120.570 0.438 0.000 3.093 129 I HA 0.816 4.986 4.170 -0.000 0.000 0.308 129 I C -0.354 175.779 176.117 0.027 0.000 1.303 129 I CA -0.956 60.490 61.300 0.244 0.000 0.975 129 I CB 1.475 39.551 38.000 0.127 0.000 1.286 129 I HN 0.654 nan 8.210 nan 0.000 0.459 130 T N -1.194 113.189 114.554 -0.285 0.000 2.831 130 T HA 0.594 4.944 4.350 -0.000 0.000 0.287 130 T C 0.899 175.244 174.700 -0.590 0.000 1.070 130 T CA -0.059 61.814 62.100 -0.378 0.000 1.010 130 T CB 1.286 69.786 68.868 -0.613 0.000 1.264 130 T HN 1.027 nan 8.240 nan 0.000 0.532 131 G N -0.497 107.697 108.800 -1.009 0.000 2.559 131 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.216 131 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.216 131 G C 1.006 175.477 174.900 -0.715 0.000 1.126 131 G CA 0.504 44.641 45.100 -1.606 0.000 0.778 131 G HN 0.856 nan 8.290 nan 0.000 0.543 132 E N 0.548 120.453 120.200 -0.491 0.000 2.072 132 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 132 E C 0.054 176.506 176.600 -0.246 0.000 0.982 132 E CA 0.465 56.676 56.400 -0.315 0.000 0.803 132 E CB -0.024 29.511 29.700 -0.275 0.000 0.755 132 E HN 0.411 nan 8.360 nan 0.000 0.453 133 D N 0.270 120.521 120.400 -0.248 0.000 2.412 133 D HA 0.197 4.837 4.640 -0.000 0.000 0.257 133 D C 0.195 176.421 176.300 -0.123 0.000 1.217 133 D CA 0.803 54.718 54.000 -0.142 0.000 0.897 133 D CB 0.679 41.426 40.800 -0.089 0.000 1.132 133 D HN 0.250 nan 8.370 nan 0.000 0.493 134 A N 3.868 126.638 122.820 -0.083 0.000 2.799 134 A HA -0.406 3.914 4.320 -0.000 0.000 0.274 134 A C 0.950 178.484 177.584 -0.084 0.000 1.393 134 A CA 1.350 53.349 52.037 -0.064 0.000 0.909 134 A CB -2.145 16.833 19.000 -0.038 0.000 1.012 134 A HN 0.784 nan 8.150 nan 0.000 0.653 135 Q N -2.986 116.735 119.800 -0.133 0.000 2.451 135 Q HA -0.261 4.079 4.340 -0.000 0.000 0.305 135 Q C 0.867 176.784 176.000 -0.139 0.000 1.345 135 Q CA 0.797 56.508 55.803 -0.153 0.000 0.854 135 Q CB -1.825 26.855 28.738 -0.097 0.000 1.162 135 Q HN 0.838 nan 8.270 nan 0.000 0.440 136 L N -0.585 120.526 121.223 -0.187 0.000 2.081 136 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 136 L C 0.828 177.750 176.870 0.086 0.000 1.080 136 L CA 1.564 56.370 54.840 -0.058 0.000 0.754 136 L CB -0.143 41.899 42.059 -0.028 0.000 0.893 136 L HN 0.467 nan 8.230 nan 0.000 0.433 137 F N -3.032 116.889 119.950 -0.047 0.000 2.639 137 F HA 0.439 4.966 4.527 -0.000 0.000 0.320 137 F C -0.220 175.543 175.800 -0.062 0.000 1.128 137 F CA -1.435 56.536 58.000 -0.048 0.000 1.037 137 F CB 0.154 39.129 39.000 -0.042 0.000 1.288 137 F HN -0.225 nan 8.300 nan 0.000 0.463 138 T N 0.298 114.916 114.554 0.107 0.000 2.862 138 T HA 0.926 5.276 4.350 -0.000 0.000 0.276 138 T C -0.238 174.504 174.700 0.069 0.000 0.974 138 T CA -0.166 61.942 62.100 0.013 0.000 0.966 138 T CB 1.683 70.537 68.868 -0.024 0.000 1.072 138 T HN 1.494 nan 8.240 nan 0.000 0.538 139 A N 0.412 123.219 122.820 -0.022 0.000 2.469 139 A HA 0.781 5.101 4.320 -0.000 0.000 0.299 139 A C -0.432 177.113 177.584 -0.064 0.000 1.098 139 A CA -0.824 51.204 52.037 -0.015 0.000 0.737 139 A CB 1.670 20.663 19.000 -0.010 0.000 1.312 139 A HN 1.668 nan 8.150 nan 0.000 0.414 140 V N -0.727 119.182 119.914 -0.010 0.000 2.487 140 V HA 0.766 4.886 4.120 -0.000 0.000 0.298 140 V C -0.042 176.092 176.094 0.067 0.000 1.028 140 V CA -1.050 61.252 62.300 0.004 0.000 0.860 140 V CB 1.093 32.919 31.823 0.004 0.000 0.991 140 V HN 1.001 nan 8.190 nan 0.000 0.427 141 R N 3.516 124.088 120.500 0.120 0.000 2.523 141 R HA 0.245 4.585 4.340 -0.000 0.000 0.281 141 R C 0.219 176.553 176.300 0.057 0.000 0.969 141 R CA 0.704 56.902 56.100 0.165 0.000 1.093 141 R CB 0.163 30.559 30.300 0.161 0.000 0.917 141 R HN 1.053 nan 8.270 nan 0.000 0.408 142 R N 0.852 121.364 120.500 0.020 0.000 2.919 142 R HA 0.752 5.092 4.340 -0.000 0.000 0.260 142 R C -1.195 175.071 176.300 -0.057 0.000 1.067 142 R CA -0.802 55.285 56.100 -0.022 0.000 1.003 142 R CB 1.619 31.899 30.300 -0.033 0.000 1.192 142 R HN 0.465 nan 8.270 nan 0.000 0.488 143 S N -0.064 115.596 115.700 -0.067 0.000 2.536 143 S HA 0.536 5.006 4.470 -0.000 0.000 0.271 143 S C -0.804 173.734 174.600 -0.104 0.000 1.134 143 S CA -0.875 57.274 58.200 -0.085 0.000 0.897 143 S CB 1.894 65.069 63.200 -0.041 0.000 1.094 143 S HN 0.441 nan 8.310 nan 0.000 0.473 144 V N 1.358 121.170 119.914 -0.170 0.000 3.109 144 V HA 0.583 4.703 4.120 -0.000 0.000 0.317 144 V C 0.702 176.814 176.094 0.031 0.000 1.074 144 V CA -1.033 61.170 62.300 -0.161 0.000 1.033 144 V CB 1.351 32.844 31.823 -0.550 0.000 1.111 144 V HN 1.000 nan 8.190 nan 0.000 0.458 145 T N -0.306 114.313 114.554 0.109 0.000 2.738 145 T HA 0.477 4.827 4.350 -0.000 0.000 0.294 145 T C 0.254 175.083 174.700 0.215 0.000 0.914 145 T CA -0.320 61.864 62.100 0.141 0.000 1.052 145 T CB 0.552 69.483 68.868 0.105 0.000 0.897 145 T HN 0.361 nan 8.240 nan 0.000 0.522 146 V N 2.467 122.485 119.914 0.173 0.000 3.949 146 V HA 0.348 4.468 4.120 -0.000 0.000 0.195 146 V C 0.063 176.199 176.094 0.070 0.000 1.114 146 V CA -0.067 62.314 62.300 0.135 0.000 1.384 146 V CB 0.003 31.917 31.823 0.151 0.000 1.685 146 V HN 0.720 nan 8.190 nan 0.000 0.492 147 D N -0.289 120.147 120.400 0.060 0.000 2.432 147 D HA 0.546 5.186 4.640 -0.000 0.000 0.265 147 D C 0.611 176.933 176.300 0.037 0.000 1.160 147 D CA 0.927 54.950 54.000 0.039 0.000 0.911 147 D CB 0.664 41.482 40.800 0.030 0.000 1.052 147 D HN 0.642 nan 8.370 nan 0.000 0.508 148 G N 1.546 110.367 108.800 0.035 0.000 2.199 148 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 148 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 148 G C 0.385 175.304 174.900 0.032 0.000 0.982 148 G CA -0.235 44.882 45.100 0.029 0.000 0.632 148 G HN 1.100 nan 8.290 nan 0.000 0.529 149 V N -2.111 117.830 119.914 0.044 0.000 4.438 149 V HA 0.131 4.251 4.120 -0.000 0.000 0.425 149 V C 0.861 176.973 176.094 0.031 0.000 0.682 149 V CA 2.001 64.328 62.300 0.044 0.000 1.725 149 V CB -1.942 29.903 31.823 0.036 0.000 2.088 149 V HN 2.425 nan 8.190 nan 0.000 0.484 150 A N 2.609 125.449 122.820 0.033 0.000 2.455 150 A HA 0.563 4.883 4.320 -0.000 0.000 0.233 150 A C 0.378 177.978 177.584 0.027 0.000 0.968 150 A CA 0.446 52.497 52.037 0.023 0.000 1.189 150 A CB 0.360 19.372 19.000 0.022 0.000 1.175 150 A HN 1.684 nan 8.150 nan 0.000 0.451 151 T N -1.210 113.366 114.554 0.037 0.000 2.738 151 T HA 0.415 4.765 4.350 -0.000 0.000 0.298 151 T C -0.574 174.136 174.700 0.017 0.000 0.962 151 T CA -0.305 61.823 62.100 0.047 0.000 0.972 151 T CB 1.375 70.304 68.868 0.101 0.000 0.928 151 T HN 0.175 nan 8.240 nan 0.000 0.474 152 D N 3.657 124.061 120.400 0.007 0.000 2.517 152 D HA 0.109 4.749 4.640 -0.000 0.000 0.220 152 D C 1.015 177.299 176.300 -0.028 0.000 1.158 152 D CA -0.506 53.482 54.000 -0.020 0.000 0.992 152 D CB 0.081 40.870 40.800 -0.019 0.000 1.058 152 D HN 0.488 nan 8.370 nan 0.000 0.516 153 I N 2.120 122.664 120.570 -0.044 0.000 2.236 153 I HA -0.121 4.049 4.170 -0.000 0.000 0.249 153 I C 1.793 177.867 176.117 -0.071 0.000 1.102 153 I CA 1.572 62.845 61.300 -0.045 0.000 1.365 153 I CB -0.521 37.398 38.000 -0.135 0.000 1.051 153 I HN 0.604 nan 8.210 nan 0.000 0.420 154 G N -1.285 107.452 108.800 -0.104 0.000 2.403 154 G HA2 0.064 4.024 3.960 -0.000 0.000 0.223 154 G HA3 0.064 4.024 3.960 -0.000 0.000 0.223 154 G C -0.958 173.811 174.900 -0.218 0.000 1.287 154 G CA -0.731 44.291 45.100 -0.131 0.000 0.982 154 G HN -0.030 nan 8.290 nan 0.000 0.471 155 L N 1.505 122.563 121.223 -0.274 0.000 2.650 155 L HA 0.380 4.720 4.340 -0.000 0.000 0.239 155 L C -0.084 176.538 176.870 -0.414 0.000 1.412 155 L CA -0.107 54.413 54.840 -0.534 0.000 1.219 155 L CB -0.518 41.307 42.059 -0.391 0.000 1.534 155 L HN 0.223 nan 8.230 nan 0.000 0.430 156 V N -0.211 119.530 119.914 -0.288 0.000 2.715 156 V HA 0.914 5.034 4.120 -0.000 0.000 0.310 156 V C 0.512 176.591 176.094 -0.024 0.000 1.054 156 V CA -0.516 61.709 62.300 -0.124 0.000 0.928 156 V CB 1.824 33.569 31.823 -0.129 0.000 1.007 156 V HN 0.515 nan 8.190 nan 0.000 0.437 157 G N 1.841 110.672 108.800 0.052 0.000 2.606 157 G HA2 0.572 4.532 3.960 -0.000 0.000 0.300 157 G HA3 0.572 4.532 3.960 -0.000 0.000 0.300 157 G C -2.151 172.775 174.900 0.042 0.000 1.360 157 G CA -0.547 44.607 45.100 0.089 0.000 0.783 157 G HN 0.512 nan 8.290 nan 0.000 0.484 158 D N -0.598 119.821 120.400 0.032 0.000 2.350 158 D HA 0.450 5.090 4.640 -0.000 0.000 0.238 158 D C -0.057 176.252 176.300 0.014 0.000 0.989 158 D CA -0.389 53.615 54.000 0.006 0.000 0.921 158 D CB 2.539 43.333 40.800 -0.011 0.000 1.297 158 D HN 0.173 nan 8.370 nan 0.000 0.490 159 V N 2.056 121.963 119.914 -0.011 0.000 2.450 159 V HA -0.055 4.065 4.120 -0.000 0.000 0.281 159 V C 1.075 177.169 176.094 -0.000 0.000 1.019 159 V CA 0.426 62.722 62.300 -0.006 0.000 1.062 159 V CB 0.851 32.601 31.823 -0.123 0.000 0.979 159 V HN 0.549 nan 8.190 nan 0.000 0.477 160 D N 3.850 124.267 120.400 0.029 0.000 2.278 160 D HA 0.034 4.674 4.640 -0.000 0.000 0.228 160 D C 0.793 177.103 176.300 0.017 0.000 1.020 160 D CA 1.086 55.094 54.000 0.014 0.000 0.922 160 D CB 0.417 41.222 40.800 0.008 0.000 1.051 160 D HN 0.699 nan 8.370 nan 0.000 0.452 161 Q N -0.463 119.361 119.800 0.039 0.000 2.351 161 Q HA 0.655 4.995 4.340 -0.000 0.000 0.273 161 Q C -1.256 174.796 176.000 0.086 0.000 1.077 161 Q CA -1.047 54.780 55.803 0.040 0.000 0.843 161 Q CB 3.284 32.038 28.738 0.027 0.000 1.367 161 Q HN -0.010 nan 8.270 nan 0.000 0.449 162 V N 0.819 120.774 119.914 0.068 0.000 2.760 162 V HA 0.248 4.368 4.120 -0.000 0.000 0.309 162 V C -0.792 175.345 176.094 0.072 0.000 1.077 162 V CA -0.866 61.497 62.300 0.105 0.000 0.910 162 V CB 1.940 33.790 31.823 0.045 0.000 1.008 162 V HN 0.819 nan 8.190 nan 0.000 0.424 163 N N 1.913 120.666 118.700 0.087 0.000 3.188 163 N HA 0.042 4.782 4.740 -0.000 0.000 0.279 163 N C 1.520 177.058 175.510 0.045 0.000 1.213 163 N CA 0.433 53.513 53.050 0.050 0.000 1.138 163 N CB 0.683 39.192 38.487 0.037 0.000 1.417 163 N HN 0.943 nan 8.380 nan 0.000 0.526 164 T N -0.541 114.032 114.554 0.033 0.000 2.778 164 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 164 T C 1.800 176.509 174.700 0.014 0.000 1.050 164 T CA 1.323 63.435 62.100 0.021 0.000 1.137 164 T CB -0.177 68.697 68.868 0.011 0.000 0.860 164 T HN 0.376 nan 8.240 nan 0.000 0.468 165 A N 2.766 125.592 122.820 0.011 0.000 1.841 165 A HA 0.415 4.735 4.320 -0.000 0.000 0.216 165 A C 2.030 179.617 177.584 0.004 0.000 1.199 165 A CA 1.369 53.408 52.037 0.004 0.000 0.621 165 A CB -1.562 17.440 19.000 0.004 0.000 0.835 165 A HN 1.014 nan 8.150 nan 0.000 0.445 169 D N 0.702 121.081 120.400 -0.035 0.000 2.149 169 D HA -0.012 4.628 4.640 -0.000 0.000 0.201 169 D C 2.169 178.447 176.300 -0.037 0.000 0.972 169 D CA 1.140 55.120 54.000 -0.033 0.000 0.835 169 D CB 0.297 41.089 40.800 -0.014 0.000 0.966 169 D HN 0.187 nan 8.370 nan 0.000 0.476 170 L N 0.299 121.508 121.223 -0.023 0.000 2.005 170 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 170 L C 2.466 179.311 176.870 -0.041 0.000 1.072 170 L CA 0.910 55.744 54.840 -0.011 0.000 0.744 170 L CB -0.476 41.593 42.059 0.017 0.000 0.895 170 L HN 0.069 nan 8.230 nan 0.000 0.433 171 V N -2.901 116.961 119.914 -0.086 0.000 2.720 171 V HA -0.192 3.928 4.120 -0.000 0.000 0.256 171 V C 2.444 178.361 176.094 -0.295 0.000 1.082 171 V CA 1.505 63.697 62.300 -0.180 0.000 1.101 171 V CB -1.362 30.308 31.823 -0.255 0.000 0.693 171 V HN 0.354 nan 8.190 nan 0.000 0.479 172 A N 0.852 123.542 122.820 -0.216 0.000 1.897 172 A HA 0.247 4.567 4.320 -0.000 0.000 0.215 172 A C 2.356 179.892 177.584 -0.081 0.000 1.181 172 A CA 1.644 53.578 52.037 -0.172 0.000 0.620 172 A CB -0.905 18.030 19.000 -0.108 0.000 0.821 172 A HN 0.950 nan 8.150 nan 0.000 0.443 173 A N -1.628 121.164 122.820 -0.046 0.000 2.239 173 A HA 0.377 4.697 4.320 -0.000 0.000 0.209 173 A C 1.770 179.363 177.584 0.016 0.000 1.171 173 A CA 1.308 53.342 52.037 -0.006 0.000 0.768 173 A CB -1.046 17.958 19.000 0.006 0.000 0.790 173 A HN 1.912 nan 8.150 nan 0.000 0.478 174 G N -1.200 107.602 108.800 0.003 0.000 2.141 174 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 174 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 174 G C 0.150 175.089 174.900 0.065 0.000 0.982 174 G CA 0.097 45.218 45.100 0.035 0.000 0.662 174 G HN 0.476 nan 8.290 nan 0.000 0.527 175 R N -0.166 120.368 120.500 0.057 0.000 2.532 175 R HA 0.660 5.000 4.340 -0.000 0.000 0.272 175 R C 0.451 176.795 176.300 0.074 0.000 1.032 175 R CA -0.922 55.233 56.100 0.091 0.000 1.089 175 R CB 0.645 30.990 30.300 0.075 0.000 1.098 175 R HN 0.296 nan 8.270 nan 0.000 0.526 176 I N 4.252 124.884 120.570 0.103 0.000 2.388 176 I HA 0.203 4.373 4.170 -0.000 0.000 0.281 176 I C -1.974 174.202 176.117 0.099 0.000 1.046 176 I CA -2.130 59.220 61.300 0.083 0.000 1.187 176 I CB 1.759 39.807 38.000 0.080 0.000 1.351 176 I HN 0.137 nan 8.210 nan 0.000 0.472 177 P HA 0.058 nan 4.420 nan 0.000 0.271 177 P C -0.463 176.922 177.300 0.141 0.000 1.220 177 P CA -0.015 63.154 63.100 0.115 0.000 0.768 177 P CB 1.573 33.334 31.700 0.103 0.000 0.848 178 V N 5.246 125.266 119.914 0.176 0.000 2.293 178 V HA 0.112 4.232 4.120 -0.000 0.000 0.275 178 V C 0.516 176.774 176.094 0.273 0.000 1.021 178 V CA -0.686 61.752 62.300 0.229 0.000 0.815 178 V CB 1.423 33.383 31.823 0.229 0.000 1.025 178 V HN 0.284 nan 8.190 nan 0.000 0.448 179 V N 3.715 123.759 119.914 0.217 0.000 2.498 179 V HA 0.352 4.472 4.120 -0.000 0.000 0.279 179 V C 0.567 176.667 176.094 0.010 0.000 1.048 179 V CA -0.052 62.350 62.300 0.170 0.000 0.967 179 V CB 1.601 33.510 31.823 0.143 0.000 0.988 179 V HN 0.821 nan 8.190 nan 0.000 0.473 180 S N 2.373 118.095 115.700 0.036 0.000 2.520 180 S HA 0.214 4.684 4.470 -0.000 0.000 0.324 180 S C 0.603 175.187 174.600 -0.026 0.000 1.069 180 S CA -0.584 57.535 58.200 -0.136 0.000 1.121 180 S CB 0.847 64.160 63.200 0.189 0.000 0.971 180 S HN 1.002 nan 8.310 nan 0.000 0.463 181 T N 2.445 116.966 114.554 -0.054 0.000 3.042 181 T HA 0.130 4.480 4.350 -0.000 0.000 0.220 181 T C -0.121 174.627 174.700 0.080 0.000 1.051 181 T CA 0.244 62.379 62.100 0.058 0.000 2.347 181 T CB -1.255 67.605 68.868 -0.014 0.000 1.061 181 T HN 0.438 nan 8.240 nan 0.000 0.540 182 L N 2.024 123.306 121.223 0.098 0.000 2.528 182 L HA 0.714 5.054 4.340 -0.000 0.000 0.267 182 L C -0.259 176.570 176.870 -0.068 0.000 0.961 182 L CA -0.897 53.949 54.840 0.010 0.000 0.866 182 L CB 1.788 43.807 42.059 -0.068 0.000 1.248 182 L HN 0.644 nan 8.230 nan 0.000 0.404 183 A N 4.182 126.990 122.820 -0.021 0.000 2.475 183 A HA 0.987 5.307 4.320 -0.000 0.000 0.301 183 A C -2.941 174.558 177.584 -0.142 0.000 1.059 183 A CA -1.673 50.281 52.037 -0.138 0.000 0.710 183 A CB 2.081 21.095 19.000 0.024 0.000 1.288 183 A HN 0.323 nan 8.150 nan 0.000 0.408 184 P HA 0.237 nan 4.420 nan 0.000 0.279 184 P C -0.659 176.485 177.300 -0.260 0.000 1.239 184 P CA -0.231 62.739 63.100 -0.218 0.000 0.789 184 P CB 0.884 32.485 31.700 -0.165 0.000 0.933 185 D N 2.257 122.415 120.400 -0.403 0.000 2.376 185 D HA 0.069 4.709 4.640 -0.000 0.000 0.268 185 D C 1.212 177.412 176.300 -0.166 0.000 1.252 185 D CA -0.395 53.408 54.000 -0.328 0.000 1.041 185 D CB 0.095 40.636 40.800 -0.431 0.000 1.109 185 D HN 0.243 nan 8.370 nan 0.000 0.552 186 A N 0.341 123.096 122.820 -0.107 0.000 1.842 186 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 186 A C 1.736 179.284 177.584 -0.061 0.000 1.206 186 A CA 2.361 54.359 52.037 -0.065 0.000 0.630 186 A CB -1.148 17.828 19.000 -0.041 0.000 0.839 186 A HN 0.629 nan 8.150 nan 0.000 0.447 187 D N -1.240 119.130 120.400 -0.049 0.000 2.280 187 D HA 0.061 4.701 4.640 -0.000 0.000 0.206 187 D C 1.398 177.671 176.300 -0.045 0.000 0.988 187 D CA 1.905 55.884 54.000 -0.036 0.000 0.886 187 D CB -0.364 40.426 40.800 -0.017 0.000 0.914 187 D HN 0.895 nan 8.370 nan 0.000 0.473 188 G N -1.509 107.247 108.800 -0.073 0.000 2.175 188 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.182 188 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.182 188 G C 0.130 174.984 174.900 -0.076 0.000 1.003 188 G CA 0.072 45.126 45.100 -0.077 0.000 0.666 188 G HN 0.273 nan 8.290 nan 0.000 0.506 189 V N 1.817 121.688 119.914 -0.073 0.000 2.488 189 V HA 0.466 4.586 4.120 -0.000 0.000 0.277 189 V C 1.287 177.356 176.094 -0.042 0.000 1.046 189 V CA -0.675 61.619 62.300 -0.010 0.000 0.986 189 V CB 1.610 33.493 31.823 0.099 0.000 0.989 189 V HN 0.278 nan 8.190 nan 0.000 0.475 190 V N 5.898 125.823 119.914 0.019 0.000 2.655 190 V HA 0.180 4.300 4.120 -0.000 0.000 0.300 190 V C 0.314 176.549 176.094 0.235 0.000 1.044 190 V CA 0.151 62.465 62.300 0.022 0.000 1.095 190 V CB -0.287 31.529 31.823 -0.010 0.000 0.952 190 V HN 0.893 nan 8.190 nan 0.000 0.485 191 H N 2.468 121.516 119.070 -0.038 0.000 2.869 191 H HA 0.432 4.988 4.556 -0.000 0.000 0.342 191 H C -0.452 174.864 175.328 -0.020 0.000 1.250 191 H CA -1.113 54.919 56.048 -0.027 0.000 1.217 191 H CB 1.835 31.584 29.762 -0.021 0.000 1.917 191 H HN 0.529 nan 8.280 nan 0.000 0.586 192 N N 1.259 120.022 118.700 0.104 0.000 2.392 192 N HA 0.283 5.023 4.740 -0.000 0.000 0.283 192 N C -1.242 174.294 175.510 0.043 0.000 1.003 192 N CA -0.282 52.796 53.050 0.047 0.000 0.892 192 N CB 0.885 39.375 38.487 0.006 0.000 1.193 192 N HN 0.425 nan 8.380 nan 0.000 0.487 193 I N 1.639 122.235 120.570 0.044 0.000 2.562 193 I HA 0.238 4.408 4.170 -0.000 0.000 0.301 193 I C 0.797 176.911 176.117 -0.006 0.000 1.003 193 I CA -1.020 60.295 61.300 0.026 0.000 1.127 193 I CB 1.552 39.581 38.000 0.049 0.000 1.304 193 I HN 0.439 nan 8.210 nan 0.000 0.446 194 N N 3.610 122.296 118.700 -0.023 0.000 2.434 194 N HA 0.017 4.757 4.740 -0.000 0.000 0.268 194 N C 0.808 176.295 175.510 -0.039 0.000 1.256 194 N CA 0.316 53.346 53.050 -0.032 0.000 0.914 194 N CB 1.487 39.951 38.487 -0.039 0.000 1.088 194 N HN 0.845 nan 8.380 nan 0.000 0.478 195 A N 4.823 127.622 122.820 -0.035 0.000 1.892 195 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 195 A C 1.680 179.238 177.584 -0.044 0.000 1.188 195 A CA 1.687 53.698 52.037 -0.043 0.000 0.631 195 A CB -0.328 18.657 19.000 -0.025 0.000 0.822 195 A HN 0.815 nan 8.150 nan 0.000 0.447 196 D N -0.563 119.816 120.400 -0.035 0.000 2.092 196 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 196 D C 2.358 178.631 176.300 -0.045 0.000 0.994 196 D CA 2.503 56.482 54.000 -0.035 0.000 0.828 196 D CB -0.744 40.037 40.800 -0.032 0.000 0.963 196 D HN 0.661 nan 8.370 nan 0.000 0.450 197 T N -0.301 114.223 114.554 -0.050 0.000 2.777 197 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 197 T C 2.183 176.833 174.700 -0.082 0.000 1.040 197 T CA 1.683 63.748 62.100 -0.057 0.000 1.141 197 T CB -0.392 68.445 68.868 -0.051 0.000 0.868 197 T HN 0.102 nan 8.240 nan 0.000 0.444 198 A N 2.251 125.011 122.820 -0.100 0.000 1.883 198 A HA 0.235 4.555 4.320 -0.000 0.000 0.217 198 A C 2.901 180.377 177.584 -0.180 0.000 1.186 198 A CA 2.281 54.216 52.037 -0.171 0.000 0.624 198 A CB -1.562 17.329 19.000 -0.182 0.000 0.822 198 A HN 0.839 nan 8.150 nan 0.000 0.444 199 A N -0.233 122.516 122.820 -0.117 0.000 1.948 199 A HA 0.076 4.396 4.320 -0.000 0.000 0.220 199 A C 2.495 180.034 177.584 -0.075 0.000 1.177 199 A CA 2.371 54.358 52.037 -0.084 0.000 0.636 199 A CB -1.007 17.972 19.000 -0.034 0.000 0.815 199 A HN 1.134 nan 8.150 nan 0.000 0.449 200 A N -0.345 122.433 122.820 -0.069 0.000 1.898 200 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 200 A C 2.505 180.048 177.584 -0.070 0.000 1.181 200 A CA 1.978 53.981 52.037 -0.056 0.000 0.620 200 A CB -0.992 17.979 19.000 -0.048 0.000 0.819 200 A HN 1.028 nan 8.150 nan 0.000 0.442 201 A N 0.121 122.881 122.820 -0.100 0.000 1.845 201 A HA -0.057 4.263 4.320 -0.000 0.000 0.215 201 A C 2.356 179.868 177.584 -0.119 0.000 1.195 201 A CA 2.554 54.524 52.037 -0.111 0.000 0.616 201 A CB -1.425 17.485 19.000 -0.149 0.000 0.832 201 A HN 1.177 nan 8.150 nan 0.000 0.443 202 V N -2.180 117.631 119.914 -0.171 0.000 2.490 202 V HA -0.072 4.048 4.120 -0.000 0.000 0.250 202 V C 2.500 178.550 176.094 -0.073 0.000 1.061 202 V CA 1.863 64.075 62.300 -0.147 0.000 1.064 202 V CB -1.607 30.098 31.823 -0.197 0.000 0.670 202 V HN 0.565 nan 8.190 nan 0.000 0.461 203 A N 0.747 123.532 122.820 -0.059 0.000 1.865 203 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 203 A C 2.363 179.935 177.584 -0.020 0.000 1.191 203 A CA 2.173 54.194 52.037 -0.027 0.000 0.623 203 A CB -0.759 18.229 19.000 -0.019 0.000 0.826 203 A HN 0.738 nan 8.150 nan 0.000 0.444 204 E N -0.125 120.058 120.200 -0.028 0.000 2.051 204 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 204 E C 2.135 178.725 176.600 -0.017 0.000 0.991 204 E CA 1.138 57.526 56.400 -0.020 0.000 0.799 204 E CB -0.314 29.371 29.700 -0.025 0.000 0.748 204 E HN 0.494 nan 8.360 nan 0.000 0.449 205 A N 1.193 123.997 122.820 -0.026 0.000 1.908 205 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 205 A C 2.169 179.749 177.584 -0.007 0.000 1.181 205 A CA 1.332 53.359 52.037 -0.017 0.000 0.627 205 A CB -0.613 18.372 19.000 -0.025 0.000 0.818 205 A HN 0.359 nan 8.150 nan 0.000 0.445 206 L N -0.980 120.239 121.223 -0.007 0.000 2.599 206 L HA 0.176 4.516 4.340 -0.000 0.000 0.230 206 L C 1.464 178.339 176.870 0.009 0.000 1.141 206 L CA 0.364 55.205 54.840 0.002 0.000 0.877 206 L CB -0.500 41.562 42.059 0.005 0.000 1.009 206 L HN 0.577 nan 8.230 nan 0.000 0.447 207 G N 1.205 110.009 108.800 0.006 0.000 2.314 207 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.292 207 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.292 207 G C 0.353 175.266 174.900 0.020 0.000 1.059 207 G CA 0.118 45.225 45.100 0.012 0.000 0.982 207 G HN 0.504 nan 8.290 nan 0.000 0.505 208 A N -0.631 122.200 122.820 0.018 0.000 2.462 208 A HA 0.624 4.944 4.320 -0.000 0.000 0.243 208 A C 1.284 178.886 177.584 0.030 0.000 1.076 208 A CA 1.078 53.130 52.037 0.026 0.000 0.773 208 A CB 0.452 19.464 19.000 0.021 0.000 1.010 208 A HN 0.771 nan 8.150 nan 0.000 0.493 209 E N 1.040 121.261 120.200 0.035 0.000 2.208 209 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 209 E C 0.194 176.822 176.600 0.046 0.000 0.988 209 E CA 1.526 57.951 56.400 0.040 0.000 0.828 209 E CB 0.011 29.736 29.700 0.041 0.000 0.763 209 E HN 0.617 nan 8.360 nan 0.000 0.478 210 K N -0.913 119.510 120.400 0.038 0.000 2.556 210 K HA 0.394 4.714 4.320 -0.000 0.000 0.274 210 K C -1.937 174.692 176.600 0.048 0.000 0.966 210 K CA -1.026 55.295 56.287 0.055 0.000 0.865 210 K CB 1.846 34.353 32.500 0.012 0.000 1.444 210 K HN -0.032 nan 8.250 nan 0.000 0.433 211 L N 3.241 124.513 121.223 0.082 0.000 2.404 211 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 211 L C -1.630 175.291 176.870 0.085 0.000 0.980 211 L CA -0.298 54.577 54.840 0.059 0.000 0.836 211 L CB 1.000 43.080 42.059 0.036 0.000 1.238 211 L HN 0.570 nan 8.230 nan 0.000 0.408 215 T N -1.591 112.938 114.554 -0.042 0.000 2.864 215 T HA 0.303 4.653 4.350 -0.000 0.000 0.299 215 T C -0.760 173.916 174.700 -0.041 0.000 1.166 215 T CA -0.708 61.363 62.100 -0.048 0.000 1.007 215 T CB 2.389 71.230 68.868 -0.045 0.000 1.219 215 T HN 0.508 nan 8.240 nan 0.000 0.506 216 D N 1.266 121.644 120.400 -0.036 0.000 2.538 216 D HA 0.307 4.947 4.640 -0.000 0.000 0.234 216 D C -0.110 176.190 176.300 -0.001 0.000 1.191 216 D CA 0.308 54.296 54.000 -0.021 0.000 0.828 216 D CB 0.094 40.882 40.800 -0.020 0.000 0.981 216 D HN 0.380 nan 8.370 nan 0.000 0.490 217 I N 0.757 121.324 120.570 -0.006 0.000 2.647 217 I HA 0.057 4.227 4.170 -0.000 0.000 0.295 217 I C 1.068 177.181 176.117 -0.006 0.000 1.078 217 I CA -0.804 60.503 61.300 0.012 0.000 1.048 217 I CB 2.503 40.499 38.000 -0.007 0.000 1.239 217 I HN -0.242 nan 8.210 nan 0.000 0.421 218 D N 2.880 123.290 120.400 0.017 0.000 2.317 218 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 218 D C 0.682 176.913 176.300 -0.115 0.000 0.966 218 D CA 0.591 54.577 54.000 -0.022 0.000 0.876 218 D CB 0.810 41.626 40.800 0.026 0.000 0.927 218 D HN 0.715 nan 8.370 nan 0.000 0.519 219 G N -0.141 108.533 108.800 -0.209 0.000 2.450 219 G HA2 0.376 4.336 3.960 -0.000 0.000 0.273 219 G HA3 0.376 4.336 3.960 -0.000 0.000 0.273 219 G C -2.137 172.531 174.900 -0.386 0.000 1.221 219 G CA -0.628 44.287 45.100 -0.309 0.000 0.900 219 G HN 0.163 nan 8.290 nan 0.000 0.483 220 L N -0.128 120.845 121.223 -0.416 0.000 2.325 220 L HA 0.812 5.152 4.340 -0.000 0.000 0.278 220 L C -1.478 175.122 176.870 -0.451 0.000 1.023 220 L CA -0.971 53.678 54.840 -0.320 0.000 0.811 220 L CB 1.505 43.449 42.059 -0.192 0.000 1.249 220 L HN 0.538 nan 8.230 nan 0.000 0.431 221 Y N 3.557 123.798 120.300 -0.098 0.000 2.464 221 Y HA 0.227 4.777 4.550 -0.000 0.000 0.326 221 Y C 1.315 177.217 175.900 0.003 0.000 0.969 221 Y CA -0.495 57.580 58.100 -0.041 0.000 1.270 221 Y CB 1.651 40.086 38.460 -0.042 0.000 1.103 221 Y HN 0.729 nan 8.280 nan 0.000 0.491 222 T N 2.340 117.009 114.554 0.192 0.000 2.867 222 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 222 T C 0.540 175.346 174.700 0.176 0.000 1.057 222 T CA 1.202 63.383 62.100 0.135 0.000 1.136 222 T CB -0.125 68.797 68.868 0.090 0.000 0.874 222 T HN 0.419 nan 8.240 nan 0.000 0.466 223 R N 0.187 120.832 120.500 0.241 0.000 2.545 223 R HA 0.348 4.688 4.340 -0.000 0.000 0.289 223 R C -1.691 174.726 176.300 0.195 0.000 1.327 223 R CA -0.529 55.684 56.100 0.188 0.000 1.040 223 R CB 1.095 31.469 30.300 0.124 0.000 1.176 223 R HN 0.319 nan 8.270 nan 0.000 0.518 224 W N 6.237 127.503 121.300 -0.056 0.000 2.529 224 W HA 0.495 5.155 4.660 -0.000 0.000 0.321 224 W C -1.576 174.853 176.519 -0.151 0.000 1.047 224 W CA -2.069 55.156 57.345 -0.199 0.000 1.216 224 W CB 1.130 30.500 29.460 -0.149 0.000 1.357 224 W HN 0.359 nan 8.180 nan 0.000 0.489 225 P HA 0.073 nan 4.420 nan 0.000 0.249 225 P C -0.639 176.555 177.300 -0.176 0.000 1.593 225 P CA -0.005 62.978 63.100 -0.194 0.000 0.896 225 P CB -0.166 31.403 31.700 -0.218 0.000 1.581 226 D N 0.927 121.255 120.400 -0.120 0.000 2.351 226 D HA 0.040 4.680 4.640 -0.000 0.000 0.251 226 D C 1.393 177.655 176.300 -0.063 0.000 1.137 226 D CA -0.471 53.493 54.000 -0.059 0.000 0.879 226 D CB 1.253 42.053 40.800 0.000 0.000 1.181 226 D HN -0.106 nan 8.370 nan 0.000 0.448 227 R N 2.123 122.621 120.500 -0.003 0.000 2.153 227 R HA 0.090 4.430 4.340 -0.000 0.000 0.218 227 R C 0.583 177.004 176.300 0.202 0.000 1.072 227 R CA 0.675 56.836 56.100 0.103 0.000 0.990 227 R CB -0.572 29.774 30.300 0.078 0.000 0.889 227 R HN 0.346 nan 8.270 nan 0.000 0.452 228 D N 0.808 121.285 120.400 0.129 0.000 3.134 228 D HA 0.106 4.746 4.640 -0.000 0.000 0.248 228 D C -0.483 175.895 176.300 0.130 0.000 1.273 228 D CA -0.041 54.030 54.000 0.118 0.000 0.904 228 D CB 0.073 40.916 40.800 0.071 0.000 1.089 228 D HN 0.355 nan 8.370 nan 0.000 0.478 229 S N 0.202 116.031 115.700 0.215 0.000 2.941 229 S HA 0.180 4.650 4.470 -0.000 0.000 0.248 229 S C -0.066 174.651 174.600 0.195 0.000 0.962 229 S CA -0.866 57.449 58.200 0.192 0.000 1.092 229 S CB -0.943 62.373 63.200 0.193 0.000 1.113 229 S HN 0.282 nan 8.310 nan 0.000 0.512 230 L N 0.152 121.412 121.223 0.062 0.000 2.295 230 L HA 0.949 5.289 4.340 -0.000 0.000 0.285 230 L C -0.162 176.641 176.870 -0.113 0.000 1.035 230 L CA -1.317 53.393 54.840 -0.216 0.000 0.806 230 L CB 1.504 43.292 42.059 -0.452 0.000 1.214 230 L HN 0.076 nan 8.230 nan 0.000 0.426 231 V N 0.539 120.381 119.914 -0.119 0.000 2.614 231 V HA 0.211 4.331 4.120 -0.000 0.000 0.291 231 V C 1.285 177.328 176.094 -0.085 0.000 1.049 231 V CA 0.293 62.548 62.300 -0.076 0.000 1.038 231 V CB 1.094 32.878 31.823 -0.065 0.000 0.980 231 V HN 1.043 nan 8.190 nan 0.000 0.481 232 S N 2.334 118.001 115.700 -0.056 0.000 2.371 232 S HA -0.025 4.445 4.470 -0.000 0.000 0.224 232 S C 0.711 175.276 174.600 -0.057 0.000 1.029 232 S CA 1.252 59.422 58.200 -0.051 0.000 0.978 232 S CB -0.192 62.992 63.200 -0.027 0.000 0.833 232 S HN 0.983 nan 8.310 nan 0.000 0.466 233 E N -0.248 119.920 120.200 -0.053 0.000 2.311 233 E HA 0.483 4.833 4.350 -0.000 0.000 0.281 233 E C -1.226 175.340 176.600 -0.058 0.000 0.905 233 E CA -0.463 55.898 56.400 -0.064 0.000 0.778 233 E CB 1.454 31.127 29.700 -0.046 0.000 1.240 233 E HN 0.398 nan 8.360 nan 0.000 0.410 234 I N 2.327 122.853 120.570 -0.073 0.000 3.786 234 I HA 0.542 4.712 4.170 -0.000 0.000 0.267 234 I C -1.401 174.681 176.117 -0.059 0.000 1.209 234 I CA -0.656 60.609 61.300 -0.059 0.000 1.157 234 I CB 1.698 39.660 38.000 -0.063 0.000 1.399 234 I HN 0.736 nan 8.210 nan 0.000 0.502 235 D N -0.900 119.471 120.400 -0.049 0.000 2.599 235 D HA 0.295 4.935 4.640 -0.000 0.000 0.252 235 D C -1.252 175.025 176.300 -0.038 0.000 1.232 235 D CA -0.559 53.414 54.000 -0.044 0.000 0.819 235 D CB 1.263 42.045 40.800 -0.030 0.000 1.401 235 D HN 0.308 nan 8.370 nan 0.000 0.429 236 T N 0.132 114.664 114.554 -0.036 0.000 2.906 236 T HA 0.389 4.739 4.350 -0.000 0.000 0.320 236 T C 1.506 176.193 174.700 -0.022 0.000 1.088 236 T CA 1.075 63.157 62.100 -0.030 0.000 1.120 236 T CB 0.540 69.393 68.868 -0.026 0.000 1.000 236 T HN 1.078 nan 8.240 nan 0.000 0.550 237 G N 1.933 110.721 108.800 -0.019 0.000 3.329 237 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.220 237 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.220 237 G C 1.339 176.231 174.900 -0.013 0.000 1.358 237 G CA 0.646 45.738 45.100 -0.014 0.000 0.856 237 G HN 0.726 nan 8.290 nan 0.000 0.551 238 T N 1.585 116.130 114.554 -0.015 0.000 2.881 238 T HA 0.143 4.493 4.350 -0.000 0.000 0.270 238 T C 2.379 177.069 174.700 -0.016 0.000 1.068 238 T CA 1.408 63.500 62.100 -0.013 0.000 1.131 238 T CB -0.057 68.802 68.868 -0.015 0.000 0.871 238 T HN 0.328 nan 8.240 nan 0.000 0.479 239 L N 0.567 121.776 121.223 -0.024 0.000 2.044 239 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 239 L C 2.921 179.779 176.870 -0.020 0.000 1.075 239 L CA 1.099 55.922 54.840 -0.028 0.000 0.747 239 L CB -0.553 41.483 42.059 -0.038 0.000 0.903 239 L HN 0.247 nan 8.230 nan 0.000 0.435 240 A N -0.933 121.877 122.820 -0.017 0.000 2.076 240 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 240 A C 2.110 179.691 177.584 -0.006 0.000 1.160 240 A CA 1.321 53.351 52.037 -0.012 0.000 0.653 240 A CB -0.277 18.716 19.000 -0.011 0.000 0.801 240 A HN 0.493 nan 8.150 nan 0.000 0.455 241 Q N -0.725 119.073 119.800 -0.004 0.000 2.137 241 Q HA 0.099 4.439 4.340 -0.000 0.000 0.198 241 Q C 1.527 177.532 176.000 0.007 0.000 0.960 241 Q CA 0.874 56.679 55.803 0.002 0.000 0.847 241 Q CB -0.162 28.577 28.738 0.003 0.000 0.915 241 Q HN 0.682 nan 8.270 nan 0.000 0.448 242 L N 1.027 122.253 121.223 0.004 0.000 2.653 242 L HA 0.046 4.386 4.340 -0.000 0.000 0.231 242 L C 1.790 178.662 176.870 0.003 0.000 1.153 242 L CA -0.232 54.614 54.840 0.010 0.000 0.933 242 L CB 0.016 42.080 42.059 0.009 0.000 1.175 242 L HN 0.106 nan 8.230 nan 0.000 0.473 243 L N 1.942 123.163 121.223 -0.003 0.000 2.017 243 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 243 L C -0.616 176.253 176.870 -0.000 0.000 1.073 243 L CA 1.965 56.800 54.840 -0.009 0.000 0.745 243 L CB -0.989 41.064 42.059 -0.009 0.000 0.894 243 L HN 0.132 nan 8.230 nan 0.000 0.432 244 P HA 0.101 nan 4.420 nan 0.000 0.244 244 P C 0.334 177.659 177.300 0.041 0.000 1.632 244 P CA 0.708 63.822 63.100 0.024 0.000 0.944 244 P CB -0.196 31.518 31.700 0.023 0.000 1.569 245 T N -3.086 111.495 114.554 0.045 0.000 3.071 245 T HA 0.138 4.488 4.350 -0.000 0.000 0.239 245 T C 0.938 175.712 174.700 0.123 0.000 0.997 245 T CA 0.055 62.206 62.100 0.085 0.000 1.134 245 T CB -0.472 68.448 68.868 0.086 0.000 0.928 245 T HN -0.117 nan 8.240 nan 0.000 0.453 246 L N 2.518 123.756 121.223 0.026 0.000 2.464 246 L HA 0.397 4.737 4.340 -0.000 0.000 0.224 246 L C 0.916 177.730 176.870 -0.094 0.000 1.219 246 L CA -0.460 54.294 54.840 -0.143 0.000 0.831 246 L CB 0.169 42.035 42.059 -0.322 0.000 1.284 246 L HN 0.520 nan 8.230 nan 0.000 0.522 247 E N -0.648 119.402 120.200 -0.250 0.000 2.622 247 E HA 0.165 4.515 4.350 -0.000 0.000 0.255 247 E C 0.632 177.210 176.600 -0.038 0.000 1.313 247 E CA -0.553 55.831 56.400 -0.025 0.000 1.011 247 E CB 0.273 30.027 29.700 0.090 0.000 1.173 247 E HN 0.426 nan 8.360 nan 0.000 0.601 248 L N 0.257 121.491 121.223 0.018 0.000 2.362 248 L HA 0.023 4.363 4.340 -0.000 0.000 0.219 248 L C 1.359 178.230 176.870 0.002 0.000 1.134 248 L CA 0.806 55.658 54.840 0.020 0.000 0.807 248 L CB -0.670 41.422 42.059 0.055 0.000 0.927 248 L HN 0.627 nan 8.230 nan 0.000 0.447 252 P HA -0.133 nan 4.420 nan 0.000 0.215 252 P C 1.199 178.478 177.300 -0.036 0.000 1.157 252 P CA 1.590 64.672 63.100 -0.030 0.000 0.863 252 P CB -0.027 31.658 31.700 -0.026 0.000 0.787 253 K N 0.100 120.475 120.400 -0.041 0.000 2.001 253 K HA -0.089 4.231 4.320 -0.000 0.000 0.214 253 K C 2.308 178.879 176.600 -0.048 0.000 1.050 253 K CA 1.169 57.429 56.287 -0.045 0.000 0.934 253 K CB -1.629 30.839 32.500 -0.053 0.000 0.718 253 K HN 0.088 nan 8.250 nan 0.000 0.443 254 V N 1.680 121.561 119.914 -0.055 0.000 2.295 254 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 254 V C 2.521 178.588 176.094 -0.045 0.000 1.049 254 V CA 1.952 64.219 62.300 -0.056 0.000 1.024 254 V CB -0.485 31.303 31.823 -0.060 0.000 0.648 254 V HN 0.449 nan 8.190 nan 0.000 0.447 255 E N 0.063 120.240 120.200 -0.039 0.000 2.153 255 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 255 E C 2.207 178.786 176.600 -0.034 0.000 0.988 255 E CA 1.194 57.575 56.400 -0.033 0.000 0.811 255 E CB -0.160 29.523 29.700 -0.028 0.000 0.746 255 E HN 0.590 nan 8.360 nan 0.000 0.466 256 A N 0.456 123.255 122.820 -0.036 0.000 1.877 256 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 256 A C 2.450 180.013 177.584 -0.036 0.000 1.186 256 A CA 1.393 53.408 52.037 -0.036 0.000 0.620 256 A CB -0.911 18.067 19.000 -0.036 0.000 0.822 256 A HN 0.526 nan 8.150 nan 0.000 0.443 257 C N -0.554 118.722 119.300 -0.040 0.000 2.410 257 C HA -0.042 4.418 4.460 -0.000 0.000 0.281 257 C C 2.604 177.568 174.990 -0.044 0.000 1.318 257 C CA 0.929 59.920 59.018 -0.044 0.000 1.776 257 C CB -1.664 26.041 27.740 -0.059 0.000 1.942 257 C HN 0.593 nan 8.230 nan 0.000 0.508 258 L N 0.339 121.538 121.223 -0.040 0.000 1.993 258 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 258 L C 2.967 179.819 176.870 -0.030 0.000 1.074 258 L CA 1.296 56.115 54.840 -0.035 0.000 0.746 258 L CB -0.893 41.148 42.059 -0.031 0.000 0.896 258 L HN 0.180 nan 8.230 nan 0.000 0.435 259 R N 0.760 121.243 120.500 -0.029 0.000 2.139 259 R HA -0.211 4.129 4.340 -0.000 0.000 0.243 259 R C 1.995 178.279 176.300 -0.026 0.000 1.145 259 R CA 1.717 57.801 56.100 -0.027 0.000 0.976 259 R CB -0.317 29.965 30.300 -0.030 0.000 0.866 259 R HN 0.421 nan 8.270 nan 0.000 0.449 260 A N 0.384 123.188 122.820 -0.028 0.000 1.840 260 A HA -0.110 4.210 4.320 -0.000 0.000 0.214 260 A C 2.332 179.904 177.584 -0.020 0.000 1.198 260 A CA 1.753 53.776 52.037 -0.024 0.000 0.608 260 A CB -0.964 18.023 19.000 -0.023 0.000 0.839 260 A HN 0.255 nan 8.150 nan 0.000 0.443 261 V N -1.244 118.655 119.914 -0.025 0.000 2.392 261 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 261 V C 2.251 178.334 176.094 -0.018 0.000 1.059 261 V CA 2.104 64.389 62.300 -0.024 0.000 1.051 261 V CB -1.050 30.752 31.823 -0.035 0.000 0.658 261 V HN 0.480 nan 8.190 nan 0.000 0.455 262 I N 1.796 122.354 120.570 -0.019 0.000 2.353 262 I HA -0.023 4.147 4.170 -0.000 0.000 0.248 262 I C 2.597 178.706 176.117 -0.012 0.000 1.119 262 I CA 1.542 62.833 61.300 -0.015 0.000 1.417 262 I CB -0.921 37.069 38.000 -0.016 0.000 1.078 262 I HN 0.461 nan 8.210 nan 0.000 0.421 263 G N -0.222 108.569 108.800 -0.014 0.000 2.776 263 G HA2 0.192 4.152 3.960 -0.000 0.000 0.209 263 G HA3 0.192 4.152 3.960 -0.000 0.000 0.209 263 G C 1.259 176.154 174.900 -0.008 0.000 1.145 263 G CA 0.700 45.793 45.100 -0.012 0.000 0.791 263 G HN 0.589 nan 8.290 nan 0.000 0.530 264 G N -1.435 107.361 108.800 -0.006 0.000 2.316 264 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.203 264 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.203 264 G C 0.301 175.203 174.900 0.003 0.000 0.999 264 G CA -0.090 45.009 45.100 -0.001 0.000 0.649 264 G HN 0.646 nan 8.290 nan 0.000 0.489 265 V N 4.104 124.018 119.914 0.001 0.000 2.420 265 V HA 0.142 4.262 4.120 -0.000 0.000 0.274 265 V C 0.235 176.334 176.094 0.008 0.000 1.003 265 V CA 0.018 62.323 62.300 0.008 0.000 1.092 265 V CB 0.827 32.653 31.823 0.005 0.000 1.002 265 V HN 0.289 nan 8.190 nan 0.000 0.473 266 P HA -0.167 nan 4.420 nan 0.000 0.220 266 P C 0.461 177.766 177.300 0.009 0.000 1.155 266 P CA 1.809 64.922 63.100 0.021 0.000 0.880 266 P CB 0.197 31.921 31.700 0.040 0.000 0.790 267 S N -2.884 112.825 115.700 0.015 0.000 2.543 267 S HA 0.700 5.170 4.470 -0.000 0.000 0.274 267 S C -1.349 173.236 174.600 -0.024 0.000 1.149 267 S CA -0.650 57.526 58.200 -0.040 0.000 0.866 267 S CB 1.804 64.970 63.200 -0.057 0.000 1.111 267 S HN 0.258 nan 8.310 nan 0.000 0.457 268 A N 2.182 124.922 122.820 -0.134 0.000 2.365 268 A HA 0.833 5.153 4.320 -0.000 0.000 0.318 268 A C -0.760 176.692 177.584 -0.221 0.000 1.091 268 A CA -0.708 51.294 52.037 -0.059 0.000 0.763 268 A CB 0.905 19.874 19.000 -0.050 0.000 1.248 268 A HN 0.898 nan 8.150 nan 0.000 0.442 269 H N 1.454 120.490 119.070 -0.056 0.000 2.572 269 H HA 0.468 5.024 4.556 -0.000 0.000 0.359 269 H C -1.176 174.115 175.328 -0.062 0.000 1.134 269 H CA -0.463 55.543 56.048 -0.069 0.000 1.187 269 H CB 1.994 31.704 29.762 -0.087 0.000 1.597 269 H HN 0.492 nan 8.280 nan 0.000 0.524 270 I N 5.391 125.977 120.570 0.026 0.000 2.503 270 I HA 0.091 4.261 4.170 -0.000 0.000 0.277 270 I C 0.356 176.461 176.117 -0.020 0.000 1.078 270 I CA -0.447 60.845 61.300 -0.013 0.000 1.184 270 I CB 0.396 38.361 38.000 -0.057 0.000 1.353 270 I HN 0.343 nan 8.210 nan 0.000 0.490 271 I N 0.995 121.564 120.570 -0.002 0.000 2.918 271 I HA 0.480 4.650 4.170 -0.000 0.000 0.316 271 I C -0.300 175.806 176.117 -0.019 0.000 1.001 271 I CA -0.426 60.865 61.300 -0.015 0.000 1.142 271 I CB 1.339 39.331 38.000 -0.013 0.000 1.356 271 I HN 0.329 nan 8.210 nan 0.000 0.524 272 D N 1.936 122.325 120.400 -0.019 0.000 2.365 272 D HA 0.427 5.067 4.640 -0.000 0.000 0.237 272 D C 1.200 177.497 176.300 -0.004 0.000 1.190 272 D CA -0.034 53.958 54.000 -0.014 0.000 0.867 272 D CB 1.014 41.807 40.800 -0.010 0.000 1.050 272 D HN 0.788 nan 8.370 nan 0.000 0.491 273 G N 3.429 112.222 108.800 -0.011 0.000 2.776 273 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.209 273 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.209 273 G C 1.274 176.169 174.900 -0.010 0.000 1.145 273 G CA -0.017 45.078 45.100 -0.007 0.000 0.791 273 G HN 0.469 nan 8.290 nan 0.000 0.530 274 R N -0.511 119.983 120.500 -0.010 0.000 2.299 274 R HA 0.117 4.457 4.340 -0.000 0.000 0.197 274 R C 0.074 176.375 176.300 0.002 0.000 0.971 274 R CA -0.097 55.999 56.100 -0.007 0.000 1.030 274 R CB 0.272 30.570 30.300 -0.004 0.000 0.932 274 R HN 0.221 nan 8.270 nan 0.000 0.477 275 V N 1.792 121.711 119.914 0.009 0.000 2.465 275 V HA 0.089 4.209 4.120 -0.000 0.000 0.279 275 V C 0.468 176.571 176.094 0.016 0.000 1.045 275 V CA -0.478 61.830 62.300 0.014 0.000 0.938 275 V CB 1.600 33.433 31.823 0.017 0.000 0.986 275 V HN 0.105 nan 8.190 nan 0.000 0.467 276 T N 5.041 119.597 114.554 0.004 0.000 2.902 276 T HA 0.101 4.451 4.350 -0.000 0.000 0.301 276 T C 0.628 175.337 174.700 0.015 0.000 1.012 276 T CA 0.326 62.395 62.100 -0.052 0.000 1.151 276 T CB -0.300 68.534 68.868 -0.057 0.000 0.946 276 T HN 0.875 nan 8.240 nan 0.000 0.542 277 H N -0.722 118.372 119.070 0.040 0.000 2.791 277 H HA -0.202 4.354 4.556 -0.000 0.000 0.302 277 H C 1.795 177.118 175.328 -0.008 0.000 1.198 277 H CA 0.566 56.616 56.048 0.004 0.000 1.145 277 H CB -2.112 27.628 29.762 -0.036 0.000 1.385 277 H HN 0.989 nan 8.280 nan 0.000 0.409 278 C N -2.420 116.939 119.300 0.099 0.000 2.403 278 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 278 C C 2.534 177.533 174.990 0.014 0.000 1.248 278 C CA 0.702 59.751 59.018 0.051 0.000 1.762 278 C CB -1.341 26.431 27.740 0.053 0.000 2.014 278 C HN 0.395 nan 8.230 nan 0.000 0.486 279 V N 1.426 121.366 119.914 0.044 0.000 2.407 279 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 279 V C 2.817 178.845 176.094 -0.110 0.000 1.055 279 V CA 2.112 64.394 62.300 -0.031 0.000 1.049 279 V CB -0.759 31.062 31.823 -0.004 0.000 0.662 279 V HN 0.618 nan 8.190 nan 0.000 0.455 280 L N -0.417 120.769 121.223 -0.061 0.000 2.093 280 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 280 L C 2.435 179.263 176.870 -0.071 0.000 1.085 280 L CA 1.011 55.812 54.840 -0.065 0.000 0.755 280 L CB -0.446 41.496 42.059 -0.195 0.000 0.904 280 L HN 0.228 nan 8.230 nan 0.000 0.435 281 V N -0.411 119.454 119.914 -0.082 0.000 2.307 281 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 281 V C 2.378 178.352 176.094 -0.198 0.000 1.045 281 V CA 1.810 64.051 62.300 -0.098 0.000 1.024 281 V CB -0.408 31.382 31.823 -0.055 0.000 0.651 281 V HN 0.390 nan 8.190 nan 0.000 0.449 282 E N 0.086 120.146 120.200 -0.234 0.000 2.274 282 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 282 E C 1.806 178.069 176.600 -0.562 0.000 0.996 282 E CA 1.131 57.330 56.400 -0.335 0.000 0.840 282 E CB -0.119 29.415 29.700 -0.276 0.000 0.772 282 E HN 0.598 nan 8.360 nan 0.000 0.491 283 L N -1.502 119.328 121.223 -0.655 0.000 2.470 283 L HA 0.213 4.553 4.340 -0.000 0.000 0.219 283 L C 0.613 176.707 176.870 -1.293 0.000 1.071 283 L CA 0.171 54.390 54.840 -1.035 0.000 0.850 283 L CB 0.230 41.570 42.059 -1.199 0.000 1.040 283 L HN 0.064 nan 8.230 nan 0.000 0.475 284 F N -1.277 118.475 119.950 -0.330 0.000 2.772 284 F HA 0.249 4.776 4.527 -0.000 0.000 0.316 284 F C 0.249 175.975 175.800 -0.124 0.000 1.114 284 F CA -0.180 57.725 58.000 -0.159 0.000 1.191 284 F CB 0.882 39.876 39.000 -0.011 0.000 1.065 284 F HN -0.259 nan 8.300 nan 0.000 0.534 285 T N -0.533 113.904 114.554 -0.195 0.000 2.879 285 T HA 0.133 4.483 4.350 -0.000 0.000 0.290 285 T C 0.143 174.731 174.700 -0.187 0.000 0.993 285 T CA -0.542 61.513 62.100 -0.075 0.000 0.975 285 T CB 1.822 70.656 68.868 -0.057 0.000 0.981 285 T HN -0.038 nan 8.240 nan 0.000 0.439 286 D N 2.288 122.687 120.400 -0.001 0.000 2.265 286 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 286 D C 1.183 177.448 176.300 -0.059 0.000 0.977 286 D CA 0.634 54.634 54.000 0.000 0.000 0.871 286 D CB 0.116 41.037 40.800 0.203 0.000 0.925 286 D HN 0.707 nan 8.370 nan 0.000 0.485 287 A N 0.963 123.755 122.820 -0.047 0.000 2.500 287 A HA 0.365 4.685 4.320 -0.000 0.000 0.285 287 A C 0.965 178.501 177.584 -0.079 0.000 1.183 287 A CA 0.177 52.188 52.037 -0.043 0.000 0.851 287 A CB -0.365 18.619 19.000 -0.026 0.000 1.091 287 A HN 0.200 nan 8.150 nan 0.000 0.521 288 G N 2.789 111.548 108.800 -0.068 0.000 2.367 288 G HA2 0.307 4.267 3.960 -0.000 0.000 0.282 288 G HA3 0.307 4.267 3.960 -0.000 0.000 0.282 288 G C 0.811 175.677 174.900 -0.056 0.000 1.140 288 G CA 0.307 45.365 45.100 -0.070 0.000 1.088 288 G HN 0.678 nan 8.290 nan 0.000 0.431 289 T N 1.752 116.266 114.554 -0.066 0.000 3.007 289 T HA 0.153 4.503 4.350 -0.000 0.000 0.270 289 T C 1.519 176.193 174.700 -0.044 0.000 1.107 289 T CA 1.106 63.177 62.100 -0.049 0.000 1.118 289 T CB 0.185 69.022 68.868 -0.052 0.000 0.889 289 T HN 0.710 nan 8.240 nan 0.000 0.506 290 G N 0.143 108.918 108.800 -0.042 0.000 3.039 290 G HA2 0.516 4.476 3.960 -0.000 0.000 0.202 290 G HA3 0.516 4.476 3.960 -0.000 0.000 0.202 290 G C -1.346 173.518 174.900 -0.061 0.000 1.151 290 G CA -0.510 44.559 45.100 -0.052 0.000 0.836 290 G HN 0.104 nan 8.290 nan 0.000 0.598 291 T N 1.032 115.541 114.554 -0.075 0.000 2.792 291 T HA 0.501 4.851 4.350 -0.000 0.000 0.280 291 T C -0.379 174.234 174.700 -0.144 0.000 0.990 291 T CA -0.475 61.563 62.100 -0.103 0.000 0.960 291 T CB 1.625 70.415 68.868 -0.129 0.000 0.939 291 T HN 0.490 nan 8.240 nan 0.000 0.439 292 K N 3.274 123.558 120.400 -0.193 0.000 2.201 292 K HA 0.528 4.848 4.320 -0.000 0.000 0.278 292 K C -0.974 175.450 176.600 -0.293 0.000 1.027 292 K CA -0.531 55.500 56.287 -0.426 0.000 0.909 292 K CB 0.745 33.014 32.500 -0.385 0.000 1.062 292 K HN 0.347 nan 8.250 nan 0.000 0.465 293 V N 4.832 124.558 119.914 -0.314 0.000 2.398 293 V HA 0.378 4.498 4.120 -0.000 0.000 0.286 293 V C -0.360 175.642 176.094 -0.153 0.000 1.026 293 V CA -0.806 61.386 62.300 -0.180 0.000 0.868 293 V CB 1.446 33.186 31.823 -0.138 0.000 0.982 293 V HN 0.549 nan 8.190 nan 0.000 0.443 294 V N 3.684 123.540 119.914 -0.098 0.000 2.962 294 V HA 0.561 4.681 4.120 -0.000 0.000 0.313 294 V C 0.073 176.143 176.094 -0.040 0.000 1.099 294 V CA -1.216 61.047 62.300 -0.062 0.000 0.971 294 V CB 2.239 34.035 31.823 -0.045 0.000 1.028 294 V HN 0.710 nan 8.190 nan 0.000 0.430 295 R N 2.052 122.536 120.500 -0.026 0.000 2.446 295 R HA 0.255 4.595 4.340 -0.000 0.000 0.314 295 R C 0.414 176.705 176.300 -0.015 0.000 1.003 295 R CA 0.290 56.379 56.100 -0.018 0.000 1.018 295 R CB 0.451 30.745 30.300 -0.011 0.000 0.945 295 R HN 1.008 nan 8.270 nan 0.000 0.419 296 G N 4.413 113.204 108.800 -0.015 0.000 2.873 296 G HA2 0.287 4.247 3.960 -0.000 0.000 0.340 296 G HA3 0.287 4.247 3.960 -0.000 0.000 0.340 296 G C -0.581 174.314 174.900 -0.008 0.000 1.171 296 G CA -0.277 44.816 45.100 -0.012 0.000 1.113 296 G HN 0.530 nan 8.290 nan 0.000 0.471 297 E N 0.000 120.197 120.200 -0.005 0.000 2.725 297 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 297 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 297 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 297 E HN 0.000 nan 8.360 nan 0.000 0.440