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 2y4d_1_B DATA FIRST_RESID 13 DATA SEQUENCE DARNEKQPFY GEHQAGILTP QQAAMMLVAF DVLASDKADL ERLFRLLTQR DATA SEQUENCE FAFLTQGGAA PETPNPRLPP LDSGILGGYI APDNLTITLS VGHSLFDERF DATA SEQUENCE GLAPQMPKKL QKMTRFPNDS LDAALCHGDV LLQICANTQD TVIHALRDII DATA SEQUENCE KHTPDLLSVR WKREGFISDH AARSKGKETP INLLGFKDGT ANPDSQNDKL DATA SEQUENCE MQKVVWVTAD QQEPAWTIGG SYQAVRLIQF RVEFWDRTPL KEQQTIFGRD DATA SEQUENCE KQTGAPLGMQ HEHDVPDYAS DPEGKVIALD SHIRLANPXX XXSESSLMLR DATA SEQUENCE RGYSYSLGVT NSGQLDMGLL FVCYQHDLEK GFLTVQKRLN GEALEEYVKP DATA SEQUENCE IGGGYFFALP GVKDANDYFG SALLRV 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 13 D HA 0.000 nan 4.640 nan 0.000 0.175 13 D C 0.000 176.311 176.300 0.018 0.000 2.045 13 D CA 0.000 54.008 54.000 0.013 0.000 0.868 13 D CB 0.000 40.809 40.800 0.015 0.000 0.688 14 A N 0.315 123.145 122.820 0.018 0.000 2.015 14 A HA -0.100 4.223 4.320 0.006 0.000 0.219 14 A C 1.839 179.436 177.584 0.022 0.000 1.163 14 A CA 1.434 53.483 52.037 0.020 0.000 0.646 14 A CB -0.347 18.665 19.000 0.020 0.000 0.806 14 A HN 0.482 nan 8.150 nan 0.000 0.448 15 R N -0.384 120.131 120.500 0.025 0.000 2.211 15 R HA -0.152 4.191 4.340 0.006 0.000 0.240 15 R C 1.051 177.375 176.300 0.039 0.000 1.144 15 R CA 1.635 57.752 56.100 0.028 0.000 0.992 15 R CB -0.354 29.970 30.300 0.040 0.000 0.869 15 R HN 0.695 nan 8.270 nan 0.000 0.462 16 N N -0.054 118.672 118.700 0.044 0.000 2.353 16 N HA -0.033 4.710 4.740 0.006 0.000 0.185 16 N C -0.095 175.437 175.510 0.036 0.000 1.098 16 N CA -0.130 52.953 53.050 0.054 0.000 0.872 16 N CB 0.419 38.937 38.487 0.051 0.000 0.970 16 N HN 0.184 nan 8.380 nan 0.000 0.467 17 E N 1.637 121.853 120.200 0.026 0.000 2.373 17 E HA 0.085 4.438 4.350 0.006 0.000 0.267 17 E C -0.708 175.903 176.600 0.018 0.000 1.032 17 E CA 0.152 56.566 56.400 0.023 0.000 0.889 17 E CB 0.536 30.250 29.700 0.023 0.000 0.984 17 E HN 0.049 nan 8.360 nan 0.000 0.425 18 K N 2.981 123.394 120.400 0.021 0.000 2.318 18 K HA 0.347 4.671 4.320 0.006 0.000 0.249 18 K C -0.860 175.757 176.600 0.029 0.000 0.942 18 K CA -1.025 55.273 56.287 0.018 0.000 0.808 18 K CB 1.818 34.331 32.500 0.022 0.000 1.189 18 K HN 0.373 nan 8.250 nan 0.000 0.428 19 Q N 1.367 121.186 119.800 0.032 0.000 2.337 19 Q HA 0.377 4.720 4.340 0.006 0.000 0.266 19 Q C -2.548 173.489 176.000 0.061 0.000 1.023 19 Q CA -2.293 53.536 55.803 0.044 0.000 0.829 19 Q CB 1.601 30.364 28.738 0.042 0.000 1.306 19 Q HN 0.316 nan 8.270 nan 0.000 0.449 20 P HA -0.001 nan 4.420 nan 0.000 0.267 20 P C 0.079 177.425 177.300 0.076 0.000 1.209 20 P CA 0.070 63.218 63.100 0.080 0.000 0.763 20 P CB 0.254 31.992 31.700 0.063 0.000 0.816 21 F N 4.245 124.144 119.950 -0.085 0.000 2.074 21 F HA -0.005 4.526 4.527 0.006 0.000 0.293 21 F C 0.542 176.209 175.800 -0.221 0.000 1.116 21 F CA 0.975 58.852 58.000 -0.205 0.000 1.212 21 F CB -0.623 38.135 39.000 -0.402 0.000 0.998 21 F HN 0.197 nan 8.300 nan 0.000 0.471 22 Y N 0.528 120.727 120.300 -0.168 0.000 2.411 22 Y HA 0.469 5.023 4.550 0.006 0.000 0.333 22 Y C 0.880 176.642 175.900 -0.230 0.000 1.186 22 Y CA 0.255 58.184 58.100 -0.284 0.000 1.381 22 Y CB 0.325 38.732 38.460 -0.088 0.000 1.273 22 Y HN 0.272 nan 8.280 nan 0.000 0.546 23 G N 1.223 109.962 108.800 -0.102 0.000 2.322 23 G HA2 0.056 4.019 3.960 0.006 0.000 0.295 23 G HA3 0.056 4.019 3.960 0.006 0.000 0.295 23 G C -0.056 174.705 174.900 -0.231 0.000 1.369 23 G CA -0.578 44.438 45.100 -0.140 0.000 0.821 23 G HN 0.499 nan 8.290 nan 0.000 0.536 24 E N -0.907 119.092 120.200 -0.335 0.000 2.110 24 E HA -0.092 4.261 4.350 0.006 0.000 0.193 24 E C 0.121 176.312 176.600 -0.683 0.000 0.988 24 E CA 0.828 56.910 56.400 -0.530 0.000 0.804 24 E CB -0.026 29.251 29.700 -0.706 0.000 0.745 24 E HN 0.479 nan 8.360 nan 0.000 0.458 25 H N -0.040 118.805 119.070 -0.374 0.000 2.670 25 H HA 0.289 4.849 4.556 0.005 0.000 0.361 25 H C -0.294 174.903 175.328 -0.219 0.000 1.169 25 H CA -0.679 55.105 56.048 -0.439 0.000 1.198 25 H CB 1.008 30.292 29.762 -0.798 0.000 1.700 25 H HN 0.095 nan 8.280 nan 0.000 0.542 26 Q N 0.473 120.286 119.800 0.021 0.000 2.392 26 Q HA 0.411 4.755 4.340 0.006 0.000 0.262 26 Q C 0.146 176.177 176.000 0.052 0.000 1.003 26 Q CA -0.412 55.401 55.803 0.017 0.000 0.888 26 Q CB 1.069 29.868 28.738 0.102 0.000 1.260 26 Q HN 0.658 nan 8.270 nan 0.000 0.435 27 A N 0.790 123.623 122.820 0.023 0.000 2.280 27 A HA 0.533 4.856 4.320 0.006 0.000 0.268 27 A C 1.058 178.658 177.584 0.028 0.000 1.111 27 A CA 0.428 52.490 52.037 0.042 0.000 0.814 27 A CB -0.210 18.818 19.000 0.046 0.000 1.093 27 A HN 1.011 nan 8.150 nan 0.000 0.498 28 G N -1.439 107.370 108.800 0.015 0.000 2.159 28 G HA2 -0.231 3.732 3.960 0.006 0.000 0.256 28 G HA3 -0.231 3.732 3.960 0.006 0.000 0.256 28 G C 0.520 175.368 174.900 -0.087 0.000 0.977 28 G CA 0.756 45.856 45.100 -0.000 0.000 0.652 28 G HN 0.634 nan 8.290 nan 0.000 0.531 29 I N -0.788 119.676 120.570 -0.177 0.000 3.393 29 I HA 0.273 4.446 4.170 0.006 0.000 0.250 29 I C 2.394 178.362 176.117 -0.250 0.000 1.122 29 I CA 0.254 61.280 61.300 -0.458 0.000 1.484 29 I CB -0.185 37.431 38.000 -0.639 0.000 1.468 29 I HN 0.081 nan 8.210 nan 0.000 0.461 30 L N 0.491 121.646 121.223 -0.114 0.000 2.446 30 L HA 0.102 4.446 4.340 0.006 0.000 0.219 30 L C 0.474 177.342 176.870 -0.005 0.000 1.116 30 L CA 0.217 55.024 54.840 -0.055 0.000 0.844 30 L CB -0.524 41.555 42.059 0.033 0.000 0.970 30 L HN 0.197 nan 8.230 nan 0.000 0.457 31 T N 2.120 116.681 114.554 0.011 0.000 2.905 31 T HA 0.053 4.407 4.350 0.006 0.000 0.299 31 T C -2.150 172.568 174.700 0.030 0.000 1.024 31 T CA -0.744 61.374 62.100 0.030 0.000 1.151 31 T CB 0.212 69.102 68.868 0.038 0.000 0.987 31 T HN -0.029 nan 8.240 nan 0.000 0.535 32 P HA 0.054 nan 4.420 nan 0.000 0.266 32 P C -0.145 177.185 177.300 0.051 0.000 1.193 32 P CA -0.106 63.012 63.100 0.031 0.000 0.770 32 P CB 0.348 32.067 31.700 0.030 0.000 0.836 33 Q N 1.901 121.724 119.800 0.038 0.000 2.297 33 Q HA 0.070 4.414 4.340 0.006 0.000 0.267 33 Q C -0.009 176.062 176.000 0.118 0.000 1.006 33 Q CA -0.063 55.787 55.803 0.077 0.000 0.896 33 Q CB 0.345 29.032 28.738 -0.085 0.000 1.186 33 Q HN 0.405 nan 8.270 nan 0.000 0.392 34 Q N 0.587 120.505 119.800 0.197 0.000 2.382 34 Q HA 0.217 4.560 4.340 0.006 0.000 0.229 34 Q C 0.790 176.952 176.000 0.269 0.000 1.006 34 Q CA 0.207 56.116 55.803 0.177 0.000 0.916 34 Q CB 0.484 29.300 28.738 0.130 0.000 1.235 34 Q HN 0.794 nan 8.270 nan 0.000 0.512 35 A N 0.364 123.306 122.820 0.203 0.000 2.014 35 A HA 0.270 4.593 4.320 0.006 0.000 0.218 35 A C 0.684 178.457 177.584 0.314 0.000 1.163 35 A CA 1.255 53.439 52.037 0.245 0.000 0.652 35 A CB -0.185 18.914 19.000 0.165 0.000 0.808 35 A HN 0.640 nan 8.150 nan 0.000 0.449 36 A N -0.870 122.067 122.820 0.196 0.000 2.374 36 A HA 0.792 5.116 4.320 0.006 0.000 0.317 36 A C -0.503 177.027 177.584 -0.089 0.000 1.094 36 A CA -0.443 51.655 52.037 0.101 0.000 0.765 36 A CB 1.113 20.153 19.000 0.067 0.000 1.268 36 A HN 0.370 nan 8.150 nan 0.000 0.438 37 M N 2.444 121.912 119.600 -0.219 0.000 2.520 37 M HA 0.576 5.059 4.480 0.006 0.000 0.280 37 M C -2.089 174.064 176.300 -0.245 0.000 1.232 37 M CA -0.480 54.566 55.300 -0.424 0.000 0.892 37 M CB 2.226 34.122 32.600 -1.174 0.000 1.728 37 M HN 0.920 nan 8.290 nan 0.000 0.475 38 M N 4.348 123.819 119.600 -0.215 0.000 2.378 38 M HA 0.528 5.011 4.480 0.006 0.000 0.289 38 M C -2.338 173.866 176.300 -0.161 0.000 1.136 38 M CA -0.654 54.557 55.300 -0.149 0.000 0.917 38 M CB 2.208 34.739 32.600 -0.115 0.000 1.669 38 M HN 0.710 nan 8.290 nan 0.000 0.461 39 L N 4.829 125.975 121.223 -0.127 0.000 2.296 39 L HA 0.726 5.070 4.340 0.006 0.000 0.286 39 L C -0.941 175.741 176.870 -0.313 0.000 1.023 39 L CA -0.830 53.911 54.840 -0.165 0.000 0.812 39 L CB 1.825 43.886 42.059 0.002 0.000 1.223 39 L HN 0.537 nan 8.230 nan 0.000 0.421 40 V N 3.525 123.161 119.914 -0.464 0.000 2.488 40 V HA 0.766 4.890 4.120 0.006 0.000 0.293 40 V C -0.340 175.221 176.094 -0.889 0.000 1.027 40 V CA -0.224 61.671 62.300 -0.675 0.000 0.862 40 V CB 1.693 33.211 31.823 -0.509 0.000 1.008 40 V HN 0.819 nan 8.190 nan 0.000 0.428 41 A N 6.565 128.622 122.820 -1.272 0.000 2.303 41 A HA 0.944 5.267 4.320 0.006 0.000 0.317 41 A C -1.169 175.955 177.584 -0.766 0.000 1.149 41 A CA -0.362 51.070 52.037 -1.009 0.000 0.822 41 A CB 0.793 18.940 19.000 -1.422 0.000 1.131 41 A HN 0.784 nan 8.150 nan 0.000 0.493 42 F N 0.441 120.255 119.950 -0.227 0.000 2.576 42 F HA 0.336 4.866 4.527 0.006 0.000 0.313 42 F C -0.303 175.499 175.800 0.003 0.000 1.078 42 F CA -0.608 57.336 58.000 -0.094 0.000 0.921 42 F CB 2.182 41.144 39.000 -0.064 0.000 1.232 42 F HN 0.483 nan 8.300 nan 0.000 0.459 43 D N 1.876 122.417 120.400 0.235 0.000 2.256 43 D HA 0.274 4.918 4.640 0.006 0.000 0.250 43 D C -0.427 175.981 176.300 0.179 0.000 1.093 43 D CA -0.049 54.067 54.000 0.194 0.000 0.882 43 D CB 2.188 43.078 40.800 0.151 0.000 1.185 43 D HN 0.080 nan 8.370 nan 0.000 0.437 44 V N 3.194 123.206 119.914 0.162 0.000 2.461 44 V HA 0.075 4.198 4.120 0.006 0.000 0.275 44 V C 1.347 177.518 176.094 0.129 0.000 1.047 44 V CA -0.220 62.151 62.300 0.119 0.000 0.955 44 V CB 1.206 33.090 31.823 0.101 0.000 0.988 44 V HN 0.438 nan 8.190 nan 0.000 0.471 45 L N 4.260 125.533 121.223 0.082 0.000 2.607 45 L HA 0.355 4.699 4.340 0.006 0.000 0.228 45 L C 1.411 178.327 176.870 0.076 0.000 1.123 45 L CA -0.021 54.863 54.840 0.073 0.000 0.890 45 L CB -0.065 42.023 42.059 0.047 0.000 1.103 45 L HN 0.725 nan 8.230 nan 0.000 0.468 46 A N 0.043 122.918 122.820 0.093 0.000 2.566 46 A HA 0.043 4.366 4.320 0.006 0.000 0.245 46 A C 1.458 179.158 177.584 0.194 0.000 1.056 46 A CA 0.375 52.475 52.037 0.106 0.000 0.757 46 A CB 0.370 19.376 19.000 0.010 0.000 0.979 46 A HN 0.228 nan 8.150 nan 0.000 0.508 47 S N 0.878 116.635 115.700 0.096 0.000 2.402 47 S HA -0.019 4.454 4.470 0.006 0.000 0.229 47 S C 0.548 175.180 174.600 0.054 0.000 1.021 47 S CA 1.507 59.737 58.200 0.050 0.000 0.974 47 S CB -0.329 62.880 63.200 0.014 0.000 0.800 47 S HN 1.018 nan 8.310 nan 0.000 0.484 48 D N -1.692 118.792 120.400 0.140 0.000 2.851 48 D HA 0.248 4.891 4.640 0.006 0.000 0.339 48 D C 0.275 176.722 176.300 0.245 0.000 1.347 48 D CA -0.788 53.305 54.000 0.155 0.000 0.888 48 D CB 0.137 40.962 40.800 0.041 0.000 1.431 48 D HN -0.203 nan 8.370 nan 0.000 0.509 49 K N -0.634 119.866 120.400 0.167 0.000 2.097 49 K HA -0.076 4.247 4.320 0.006 0.000 0.206 49 K C 1.879 178.432 176.600 -0.077 0.000 1.049 49 K CA 1.489 57.803 56.287 0.044 0.000 0.933 49 K CB -0.437 32.079 32.500 0.027 0.000 0.717 49 K HN 0.438 nan 8.250 nan 0.000 0.442 50 A N 1.311 124.102 122.820 -0.047 0.000 1.902 50 A HA -0.190 4.133 4.320 0.006 0.000 0.217 50 A C 1.685 179.205 177.584 -0.107 0.000 1.181 50 A CA 1.970 53.963 52.037 -0.075 0.000 0.623 50 A CB -0.548 18.423 19.000 -0.048 0.000 0.818 50 A HN 0.319 nan 8.150 nan 0.000 0.443 51 D N -0.592 119.759 120.400 -0.082 0.000 2.123 51 D HA -0.132 4.512 4.640 0.006 0.000 0.196 51 D C 1.813 177.988 176.300 -0.208 0.000 0.992 51 D CA 1.148 55.089 54.000 -0.099 0.000 0.833 51 D CB -0.292 40.489 40.800 -0.032 0.000 0.954 51 D HN 0.310 nan 8.370 nan 0.000 0.455 52 L N 1.047 122.067 121.223 -0.338 0.000 2.046 52 L HA -0.137 4.206 4.340 0.006 0.000 0.208 52 L C 2.090 178.594 176.870 -0.611 0.000 1.077 52 L CA 1.823 56.260 54.840 -0.671 0.000 0.747 52 L CB -0.482 40.917 42.059 -1.099 0.000 0.896 52 L HN 0.036 nan 8.230 nan 0.000 0.432 53 E N -0.627 119.342 120.200 -0.386 0.000 2.077 53 E HA -0.311 4.043 4.350 0.006 0.000 0.193 53 E C 2.416 178.894 176.600 -0.203 0.000 0.989 53 E CA 1.214 57.469 56.400 -0.243 0.000 0.800 53 E CB -0.160 29.439 29.700 -0.169 0.000 0.746 53 E HN 0.468 nan 8.360 nan 0.000 0.452 54 R N 0.213 120.601 120.500 -0.188 0.000 2.083 54 R HA -0.197 4.146 4.340 0.006 0.000 0.237 54 R C 2.588 178.825 176.300 -0.106 0.000 1.137 54 R CA 1.591 57.604 56.100 -0.145 0.000 0.951 54 R CB -0.426 29.804 30.300 -0.116 0.000 0.851 54 R HN 0.278 nan 8.270 nan 0.000 0.434 55 L N 0.195 121.348 121.223 -0.115 0.000 1.989 55 L HA -0.167 4.176 4.340 0.006 0.000 0.211 55 L C 1.959 178.896 176.870 0.113 0.000 1.071 55 L CA 1.853 56.665 54.840 -0.047 0.000 0.749 55 L CB -0.741 41.260 42.059 -0.098 0.000 0.890 55 L HN 0.137 nan 8.230 nan 0.000 0.431 56 F N 0.359 120.242 119.950 -0.112 0.000 2.216 56 F HA -0.103 4.427 4.527 0.005 0.000 0.300 56 F C 2.635 178.466 175.800 0.051 0.000 1.085 56 F CA 1.135 59.141 58.000 0.009 0.000 1.326 56 F CB -0.871 38.192 39.000 0.106 0.000 1.027 56 F HN 0.183 nan 8.300 nan 0.000 0.497 57 R N -0.612 119.937 120.500 0.082 0.000 2.073 57 R HA -0.115 4.229 4.340 0.006 0.000 0.229 57 R C 2.108 178.375 176.300 -0.056 0.000 1.120 57 R CA 0.930 56.989 56.100 -0.068 0.000 0.967 57 R CB -0.822 29.317 30.300 -0.268 0.000 0.862 57 R HN 0.196 nan 8.270 nan 0.000 0.436 58 L N 1.275 122.455 121.223 -0.072 0.000 2.093 58 L HA -0.098 4.245 4.340 0.006 0.000 0.208 58 L C 1.907 178.661 176.870 -0.192 0.000 1.085 58 L CA 1.588 56.361 54.840 -0.111 0.000 0.755 58 L CB -0.319 41.690 42.059 -0.084 0.000 0.904 58 L HN 0.117 nan 8.230 nan 0.000 0.435 59 L N -1.359 119.728 121.223 -0.225 0.000 2.056 59 L HA -0.189 4.154 4.340 0.006 0.000 0.207 59 L C 2.320 178.774 176.870 -0.693 0.000 1.078 59 L CA 1.585 56.065 54.840 -0.600 0.000 0.749 59 L CB -1.292 40.364 42.059 -0.672 0.000 0.901 59 L HN 0.257 nan 8.230 nan 0.000 0.433 60 T N -0.743 113.713 114.554 -0.164 0.000 2.665 60 T HA -0.344 4.010 4.350 0.006 0.000 0.268 60 T C 1.801 176.339 174.700 -0.270 0.000 1.035 60 T CA 1.952 63.962 62.100 -0.150 0.000 1.151 60 T CB -0.325 68.528 68.868 -0.026 0.000 0.862 60 T HN 0.422 nan 8.240 nan 0.000 0.438 61 Q N 0.523 120.211 119.800 -0.186 0.000 2.050 61 Q HA -0.199 4.145 4.340 0.006 0.000 0.202 61 Q C 2.441 178.340 176.000 -0.168 0.000 0.980 61 Q CA 1.144 56.860 55.803 -0.146 0.000 0.840 61 Q CB -0.030 28.633 28.738 -0.124 0.000 0.898 61 Q HN 0.236 nan 8.270 nan 0.000 0.424 62 R N 0.120 120.495 120.500 -0.207 0.000 2.083 62 R HA -0.120 4.224 4.340 0.006 0.000 0.237 62 R C 2.203 178.553 176.300 0.084 0.000 1.137 62 R CA 1.256 57.308 56.100 -0.080 0.000 0.951 62 R CB -1.145 29.107 30.300 -0.081 0.000 0.851 62 R HN 0.361 nan 8.270 nan 0.000 0.434 63 F N 0.636 120.421 119.950 -0.276 0.000 2.186 63 F HA 0.085 4.615 4.527 0.006 0.000 0.299 63 F C 2.452 177.771 175.800 -0.802 0.000 1.090 63 F CA 0.207 57.940 58.000 -0.444 0.000 1.307 63 F CB -1.494 37.286 39.000 -0.367 0.000 1.019 63 F HN 0.044 nan 8.300 nan 0.000 0.489 64 A N 0.133 122.430 122.820 -0.872 0.000 1.908 64 A HA -0.226 4.097 4.320 0.006 0.000 0.218 64 A C 2.172 179.622 177.584 -0.224 0.000 1.181 64 A CA 1.575 53.154 52.037 -0.764 0.000 0.627 64 A CB -1.402 17.343 19.000 -0.424 0.000 0.818 64 A HN 0.322 nan 8.150 nan 0.000 0.445 65 F N 0.570 120.391 119.950 -0.214 0.000 2.060 65 F HA -0.090 4.440 4.527 0.006 0.000 0.295 65 F C 1.926 177.672 175.800 -0.090 0.000 1.120 65 F CA 1.737 59.672 58.000 -0.109 0.000 1.205 65 F CB -0.569 38.377 39.000 -0.091 0.000 0.986 65 F HN 0.130 nan 8.300 nan 0.000 0.470 66 L N 0.300 121.376 121.223 -0.244 0.000 2.013 66 L HA -0.281 4.062 4.340 0.006 0.000 0.212 66 L C 2.635 179.322 176.870 -0.305 0.000 1.073 66 L CA 2.191 56.839 54.840 -0.320 0.000 0.753 66 L CB -1.444 40.589 42.059 -0.044 0.000 0.890 66 L HN 0.420 nan 8.230 nan 0.000 0.432 67 T N -4.052 110.376 114.554 -0.211 0.000 2.867 67 T HA -0.144 4.209 4.350 0.006 0.000 0.268 67 T C 1.788 176.411 174.700 -0.129 0.000 1.057 67 T CA 0.737 62.755 62.100 -0.136 0.000 1.136 67 T CB -0.089 68.745 68.868 -0.056 0.000 0.874 67 T HN 0.231 nan 8.240 nan 0.000 0.466 68 Q N 1.114 120.814 119.800 -0.167 0.000 2.339 68 Q HA 0.377 4.720 4.340 0.006 0.000 0.205 68 Q C 1.497 177.380 176.000 -0.195 0.000 0.925 68 Q CA 0.846 56.579 55.803 -0.116 0.000 0.898 68 Q CB -0.194 28.522 28.738 -0.036 0.000 1.013 68 Q HN 0.789 nan 8.270 nan 0.000 0.504 69 G N -0.539 108.012 108.800 -0.415 0.000 2.756 69 G HA2 0.226 4.190 3.960 0.006 0.000 0.678 69 G HA3 0.226 4.190 3.960 0.006 0.000 0.678 69 G C -0.037 174.601 174.900 -0.437 0.000 1.349 69 G CA -0.092 44.694 45.100 -0.523 0.000 0.847 69 G HN 0.718 nan 8.290 nan 0.000 0.548 70 G N -1.591 106.946 108.800 -0.439 0.000 2.337 70 G HA2 0.723 4.686 3.960 0.006 0.000 0.298 70 G HA3 0.723 4.686 3.960 0.006 0.000 0.298 70 G C -0.048 174.868 174.900 0.026 0.000 1.335 70 G CA 0.865 45.961 45.100 -0.008 0.000 0.875 70 G HN 2.515 nan 8.290 nan 0.000 0.579 71 A N -0.491 122.498 122.820 0.282 0.000 2.445 71 A HA 0.778 5.102 4.320 0.006 0.000 0.242 71 A C 1.089 178.811 177.584 0.230 0.000 1.075 71 A CA 0.902 53.102 52.037 0.272 0.000 0.777 71 A CB 0.196 19.329 19.000 0.222 0.000 1.013 71 A HN 2.460 nan 8.150 nan 0.000 0.493 72 A N 3.427 126.348 122.820 0.169 0.000 2.477 72 A HA 0.528 4.852 4.320 0.006 0.000 0.246 72 A C -1.949 175.717 177.584 0.136 0.000 1.078 72 A CA -1.144 50.997 52.037 0.174 0.000 0.770 72 A CB -0.630 18.443 19.000 0.121 0.000 1.011 72 A HN 0.693 nan 8.150 nan 0.000 0.494 73 P HA 0.032 nan 4.420 nan 0.000 0.261 73 P C -0.225 177.101 177.300 0.044 0.000 1.183 73 P CA 0.429 63.546 63.100 0.029 0.000 0.761 73 P CB 0.481 32.170 31.700 -0.018 0.000 0.785 74 E N 1.267 121.485 120.200 0.030 0.000 2.280 74 E HA 0.334 4.688 4.350 0.006 0.000 0.264 74 E C -0.359 176.252 176.600 0.017 0.000 1.064 74 E CA -0.579 55.840 56.400 0.030 0.000 0.900 74 E CB 0.772 30.490 29.700 0.029 0.000 1.123 74 E HN 0.261 nan 8.360 nan 0.000 0.418 75 T N 3.644 118.208 114.554 0.017 0.000 3.390 75 T HA 0.185 4.538 4.350 0.006 0.000 0.351 75 T C -1.880 172.824 174.700 0.007 0.000 1.759 75 T CA -1.054 61.052 62.100 0.009 0.000 1.561 75 T CB 0.808 69.682 68.868 0.010 0.000 1.011 75 T HN 0.403 nan 8.240 nan 0.000 0.689 76 P HA -0.038 nan 4.420 nan 0.000 0.218 76 P C 0.384 177.685 177.300 0.001 0.000 1.149 76 P CA 0.854 63.956 63.100 0.004 0.000 0.817 76 P CB 0.255 31.957 31.700 0.003 0.000 0.785 77 N N 0.649 119.349 118.700 -0.001 0.000 2.527 77 N HA 0.125 4.868 4.740 0.006 0.000 0.236 77 N C -1.723 173.786 175.510 -0.003 0.000 0.999 77 N CA -2.372 50.676 53.050 -0.003 0.000 0.935 77 N CB 1.070 39.553 38.487 -0.006 0.000 1.132 77 N HN -0.040 nan 8.380 nan 0.000 0.511 78 P HA -0.024 nan 4.420 nan 0.000 0.234 78 P C 0.556 177.854 177.300 -0.003 0.000 1.167 78 P CA 0.535 63.635 63.100 -0.000 0.000 0.763 78 P CB 0.480 32.181 31.700 0.002 0.000 0.835 79 R N -0.801 119.696 120.500 -0.005 0.000 2.280 79 R HA 0.130 4.474 4.340 0.006 0.000 0.207 79 R C 1.120 177.414 176.300 -0.010 0.000 1.043 79 R CA 0.335 56.432 56.100 -0.006 0.000 1.006 79 R CB -0.288 30.009 30.300 -0.006 0.000 0.885 79 R HN 0.270 nan 8.270 nan 0.000 0.467 80 L N 1.152 122.368 121.223 -0.011 0.000 2.375 80 L HA 0.381 4.724 4.340 0.006 0.000 0.268 80 L C -2.095 174.765 176.870 -0.017 0.000 1.058 80 L CA -2.528 52.302 54.840 -0.017 0.000 0.803 80 L CB 0.912 42.959 42.059 -0.020 0.000 1.212 80 L HN -0.211 nan 8.230 nan 0.000 0.451 81 P HA 0.144 nan 4.420 nan 0.000 0.269 81 P C -2.512 174.775 177.300 -0.020 0.000 1.215 81 P CA -0.940 62.147 63.100 -0.022 0.000 0.780 81 P CB -0.251 31.429 31.700 -0.034 0.000 0.898 82 P HA 0.042 nan 4.420 nan 0.000 0.268 82 P C 0.479 177.775 177.300 -0.005 0.000 1.204 82 P CA -0.001 63.100 63.100 0.001 0.000 0.768 82 P CB 0.301 32.011 31.700 0.015 0.000 0.842 83 L N 1.439 122.663 121.223 0.001 0.000 2.275 83 L HA -0.003 4.340 4.340 0.006 0.000 0.215 83 L C 0.867 177.762 176.870 0.041 0.000 1.119 83 L CA 1.732 56.572 54.840 -0.000 0.000 0.790 83 L CB -0.931 41.131 42.059 0.004 0.000 0.919 83 L HN 0.452 nan 8.230 nan 0.000 0.443 84 D N -3.078 117.361 120.400 0.065 0.000 2.671 84 D HA 0.204 4.847 4.640 0.006 0.000 0.232 84 D C 1.050 177.407 176.300 0.096 0.000 1.114 84 D CA 0.234 54.304 54.000 0.117 0.000 0.858 84 D CB 1.482 42.392 40.800 0.184 0.000 1.544 84 D HN -0.059 nan 8.370 nan 0.000 0.471 85 S N 1.918 117.680 115.700 0.103 0.000 2.447 85 S HA 0.091 4.564 4.470 0.006 0.000 0.233 85 S C 1.887 176.546 174.600 0.098 0.000 1.006 85 S CA 0.796 59.044 58.200 0.080 0.000 0.957 85 S CB -0.327 62.911 63.200 0.064 0.000 0.773 85 S HN 1.144 nan 8.310 nan 0.000 0.507 86 G N 1.682 110.564 108.800 0.135 0.000 2.179 86 G HA2 -0.329 3.634 3.960 0.006 0.000 0.260 86 G HA3 -0.329 3.634 3.960 0.006 0.000 0.260 86 G C 0.644 175.594 174.900 0.083 0.000 0.977 86 G CA 0.400 45.557 45.100 0.095 0.000 0.641 86 G HN 1.051 nan 8.290 nan 0.000 0.533 87 I N -2.065 118.577 120.570 0.121 0.000 2.676 87 I HA 0.257 4.430 4.170 0.006 0.000 0.259 87 I C 2.085 178.229 176.117 0.045 0.000 1.194 87 I CA 1.040 62.392 61.300 0.086 0.000 1.473 87 I CB -0.216 37.845 38.000 0.101 0.000 1.096 87 I HN 0.198 nan 8.210 nan 0.000 0.443 88 L N 1.411 122.635 121.223 0.002 0.000 2.592 88 L HA 0.438 4.781 4.340 0.006 0.000 0.227 88 L C 1.302 178.150 176.870 -0.035 0.000 1.127 88 L CA 0.345 55.141 54.840 -0.073 0.000 0.884 88 L CB -0.757 41.148 42.059 -0.256 0.000 1.065 88 L HN 0.628 nan 8.230 nan 0.000 0.457 89 G N 0.262 109.063 108.800 0.002 0.000 2.568 89 G HA2 -0.253 3.711 3.960 0.006 0.000 0.222 89 G HA3 -0.253 3.711 3.960 0.006 0.000 0.222 89 G C 0.643 175.564 174.900 0.034 0.000 1.321 89 G CA -0.317 44.798 45.100 0.024 0.000 0.893 89 G HN 0.208 nan 8.290 nan 0.000 0.569 90 G N -1.111 107.726 108.800 0.061 0.000 2.511 90 G HA2 0.338 4.302 3.960 0.006 0.000 0.217 90 G HA3 0.338 4.302 3.960 0.006 0.000 0.217 90 G C 0.553 175.538 174.900 0.143 0.000 1.133 90 G CA 1.745 46.898 45.100 0.088 0.000 0.792 90 G HN 1.198 nan 8.290 nan 0.000 0.539 91 Y N 0.668 120.959 120.300 -0.016 0.000 2.393 91 Y HA 0.560 5.114 4.550 0.006 0.000 0.341 91 Y C -0.798 175.053 175.900 -0.082 0.000 0.988 91 Y CA -2.162 55.922 58.100 -0.027 0.000 1.078 91 Y CB 1.375 39.820 38.460 -0.025 0.000 1.203 91 Y HN -0.158 nan 8.280 nan 0.000 0.453 92 I N 6.323 126.440 120.570 -0.755 0.000 2.313 92 I HA 0.365 4.538 4.170 0.006 0.000 0.286 92 I C 0.435 175.965 176.117 -0.978 0.000 1.091 92 I CA -0.648 60.217 61.300 -0.725 0.000 1.216 92 I CB -0.374 37.323 38.000 -0.504 0.000 1.434 92 I HN 0.734 nan 8.210 nan 0.000 0.487 93 A N 9.549 131.952 122.820 -0.695 0.000 2.407 93 A HA 0.469 4.792 4.320 0.006 0.000 0.248 93 A C -1.035 176.386 177.584 -0.272 0.000 1.082 93 A CA -0.796 51.012 52.037 -0.382 0.000 0.785 93 A CB -0.016 18.962 19.000 -0.036 0.000 1.020 93 A HN 0.530 nan 8.150 nan 0.000 0.489 94 P HA -0.104 nan 4.420 nan 0.000 0.217 94 P C 0.159 177.410 177.300 -0.081 0.000 1.151 94 P CA 1.267 64.285 63.100 -0.137 0.000 0.828 94 P CB -0.175 31.478 31.700 -0.078 0.000 0.788 95 D N -0.064 120.310 120.400 -0.043 0.000 2.686 95 D HA -0.176 4.468 4.640 0.006 0.000 0.235 95 D C -0.113 176.180 176.300 -0.010 0.000 1.160 95 D CA 0.806 54.794 54.000 -0.021 0.000 0.645 95 D CB -2.035 38.745 40.800 -0.033 0.000 1.039 95 D HN 0.032 nan 8.370 nan 0.000 0.423 96 N N -1.787 116.911 118.700 -0.003 0.000 2.681 96 N HA -0.257 4.487 4.740 0.006 0.000 0.250 96 N C 0.051 175.562 175.510 0.001 0.000 1.133 96 N CA 0.926 53.980 53.050 0.008 0.000 0.732 96 N CB -1.050 37.452 38.487 0.025 0.000 1.107 96 N HN 0.550 nan 8.380 nan 0.000 0.559 97 L N 1.411 122.621 121.223 -0.023 0.000 2.513 97 L HA 0.142 4.486 4.340 0.006 0.000 0.272 97 L C 0.796 177.652 176.870 -0.023 0.000 1.187 97 L CA 0.515 55.333 54.840 -0.037 0.000 0.895 97 L CB 0.520 42.538 42.059 -0.068 0.000 1.147 97 L HN 0.276 nan 8.230 nan 0.000 0.483 98 T N 3.673 118.212 114.554 -0.025 0.000 2.863 98 T HA 0.714 5.067 4.350 0.006 0.000 0.285 98 T C -0.336 174.319 174.700 -0.075 0.000 1.009 98 T CA -0.668 61.426 62.100 -0.009 0.000 0.989 98 T CB 1.145 70.026 68.868 0.023 0.000 1.004 98 T HN 0.454 nan 8.240 nan 0.000 0.455 99 I N 2.513 123.028 120.570 -0.091 0.000 2.439 99 I HA 0.330 4.504 4.170 0.006 0.000 0.283 99 I C -0.271 175.791 176.117 -0.091 0.000 1.023 99 I CA -0.767 60.372 61.300 -0.268 0.000 1.100 99 I CB 2.054 39.557 38.000 -0.828 0.000 1.238 99 I HN 0.664 nan 8.210 nan 0.000 0.445 100 T N 6.857 121.367 114.554 -0.074 0.000 2.758 100 T HA 0.470 4.823 4.350 0.006 0.000 0.285 100 T C -0.467 174.208 174.700 -0.042 0.000 0.981 100 T CA -0.372 61.733 62.100 0.009 0.000 0.965 100 T CB 1.480 70.369 68.868 0.035 0.000 0.927 100 T HN 0.248 nan 8.240 nan 0.000 0.448 101 L N 4.150 125.327 121.223 -0.076 0.000 2.309 101 L HA 0.778 5.121 4.340 0.006 0.000 0.282 101 L C -0.106 176.699 176.870 -0.109 0.000 1.036 101 L CA 0.069 54.789 54.840 -0.200 0.000 0.806 101 L CB 1.186 42.876 42.059 -0.615 0.000 1.220 101 L HN 0.749 nan 8.230 nan 0.000 0.429 102 S N 3.790 119.457 115.700 -0.055 0.000 2.564 102 S HA 0.851 5.324 4.470 0.006 0.000 0.274 102 S C -0.774 173.963 174.600 0.229 0.000 1.124 102 S CA -0.344 57.925 58.200 0.115 0.000 0.869 102 S CB 1.413 64.707 63.200 0.158 0.000 1.105 102 S HN 1.086 nan 8.310 nan 0.000 0.472 103 V N -0.489 119.705 119.914 0.467 0.000 2.628 103 V HA 0.992 5.115 4.120 0.006 0.000 0.306 103 V C 0.486 177.034 176.094 0.757 0.000 1.045 103 V CA -0.239 62.391 62.300 0.549 0.000 0.905 103 V CB 0.992 33.098 31.823 0.472 0.000 0.997 103 V HN 1.289 nan 8.190 nan 0.000 0.436 104 G N 0.776 109.997 108.800 0.701 0.000 2.528 104 G HA2 0.281 4.245 3.960 0.006 0.000 0.289 104 G HA3 0.281 4.245 3.960 0.006 0.000 0.289 104 G C 0.560 175.787 174.900 0.545 0.000 1.192 104 G CA 0.046 45.463 45.100 0.527 0.000 0.921 104 G HN 1.097 nan 8.290 nan 0.000 0.512 105 H N 0.225 119.489 119.070 0.324 0.000 2.353 105 H HA -0.219 4.340 4.556 0.005 0.000 0.298 105 H C 2.569 178.123 175.328 0.376 0.000 1.103 105 H CA 2.407 58.659 56.048 0.339 0.000 1.293 105 H CB -0.206 29.653 29.762 0.161 0.000 1.372 105 H HN 0.506 nan 8.280 nan 0.000 0.501 106 S N 0.369 116.248 115.700 0.297 0.000 2.440 106 S HA -0.154 4.319 4.470 0.006 0.000 0.238 106 S C 2.236 176.925 174.600 0.147 0.000 1.010 106 S CA 1.167 59.479 58.200 0.186 0.000 0.972 106 S CB -0.675 62.642 63.200 0.195 0.000 0.774 106 S HN 0.329 nan 8.310 nan 0.000 0.501 107 L N 0.211 121.535 121.223 0.169 0.000 2.275 107 L HA 0.275 4.618 4.340 0.006 0.000 0.215 107 L C 0.960 177.738 176.870 -0.155 0.000 1.119 107 L CA 1.254 56.107 54.840 0.022 0.000 0.790 107 L CB -0.547 41.407 42.059 -0.175 0.000 0.919 107 L HN 0.329 nan 8.230 nan 0.000 0.443 108 F N -0.353 119.631 119.950 0.056 0.000 2.701 108 F HA 0.147 4.678 4.527 0.006 0.000 0.295 108 F C 1.091 176.851 175.800 -0.067 0.000 1.165 108 F CA -1.017 56.983 58.000 0.000 0.000 1.399 108 F CB -0.924 38.060 39.000 -0.028 0.000 0.996 108 F HN 0.192 nan 8.300 nan 0.000 0.513 109 D N -0.437 119.982 120.400 0.032 0.000 2.403 109 D HA -0.017 4.627 4.640 0.006 0.000 0.278 109 D C 1.233 177.496 176.300 -0.062 0.000 1.230 109 D CA -0.229 53.759 54.000 -0.021 0.000 1.062 109 D CB 0.143 40.922 40.800 -0.036 0.000 1.119 109 D HN 0.190 nan 8.370 nan 0.000 0.557 110 E N -1.137 119.007 120.200 -0.093 0.000 2.204 110 E HA -0.132 4.222 4.350 0.006 0.000 0.195 110 E C 2.165 178.636 176.600 -0.214 0.000 0.990 110 E CA 0.559 56.892 56.400 -0.112 0.000 0.821 110 E CB 0.043 29.688 29.700 -0.091 0.000 0.750 110 E HN 0.300 nan 8.360 nan 0.000 0.477 111 R N -0.455 119.802 120.500 -0.405 0.000 2.103 111 R HA -0.152 4.191 4.340 0.006 0.000 0.242 111 R C 1.046 176.894 176.300 -0.754 0.000 1.142 111 R CA 1.399 57.047 56.100 -0.754 0.000 0.960 111 R CB -0.075 29.424 30.300 -1.335 0.000 0.858 111 R HN 0.172 nan 8.270 nan 0.000 0.439 112 F N -1.614 118.276 119.950 -0.101 0.000 2.688 112 F HA 0.369 4.899 4.527 0.005 0.000 0.310 112 F C 1.168 176.908 175.800 -0.101 0.000 1.098 112 F CA -0.057 57.866 58.000 -0.128 0.000 1.228 112 F CB 0.703 39.582 39.000 -0.202 0.000 1.042 112 F HN 0.094 nan 8.300 nan 0.000 0.557 113 G N 1.392 110.208 108.800 0.026 0.000 2.225 113 G HA2 -0.309 3.654 3.960 0.006 0.000 0.267 113 G HA3 -0.309 3.654 3.960 0.006 0.000 0.267 113 G C 0.681 175.616 174.900 0.057 0.000 1.024 113 G CA 0.691 45.809 45.100 0.029 0.000 0.784 113 G HN 0.476 nan 8.290 nan 0.000 0.507 114 L N -0.750 120.522 121.223 0.081 0.000 2.640 114 L HA 0.389 4.733 4.340 0.006 0.000 0.230 114 L C 2.794 179.832 176.870 0.281 0.000 1.123 114 L CA 0.554 55.470 54.840 0.126 0.000 0.900 114 L CB -0.194 41.866 42.059 0.001 0.000 1.146 114 L HN 0.297 nan 8.230 nan 0.000 0.484 115 A N 1.886 124.827 122.820 0.201 0.000 1.927 115 A HA -0.165 4.159 4.320 0.006 0.000 0.220 115 A C -0.051 177.629 177.584 0.160 0.000 1.185 115 A CA 2.007 54.158 52.037 0.190 0.000 0.639 115 A CB -1.673 17.388 19.000 0.101 0.000 0.820 115 A HN 0.331 nan 8.150 nan 0.000 0.451 116 P HA -0.024 nan 4.420 nan 0.000 0.241 116 P C 0.709 178.095 177.300 0.144 0.000 1.191 116 P CA 0.633 63.800 63.100 0.112 0.000 0.771 116 P CB 0.159 31.912 31.700 0.088 0.000 0.929 117 Q N -1.071 118.860 119.800 0.218 0.000 2.360 117 Q HA 0.164 4.507 4.340 0.006 0.000 0.202 117 Q C 0.999 177.193 176.000 0.322 0.000 0.915 117 Q CA -0.220 55.780 55.803 0.329 0.000 0.943 117 Q CB -0.124 28.800 28.738 0.310 0.000 1.064 117 Q HN 0.386 nan 8.270 nan 0.000 0.511 118 M N 2.941 122.542 119.600 0.003 0.000 2.290 118 M HA 0.026 4.510 4.480 0.006 0.000 0.356 118 M C -2.131 173.978 176.300 -0.320 0.000 1.448 118 M CA -1.101 53.848 55.300 -0.586 0.000 0.993 118 M CB 0.473 32.811 32.600 -0.436 0.000 1.934 118 M HN -0.179 nan 8.290 nan 0.000 0.461 119 P HA 0.002 nan 4.420 nan 0.000 0.266 119 P C -0.161 177.098 177.300 -0.068 0.000 1.193 119 P CA 0.030 62.926 63.100 -0.341 0.000 0.770 119 P CB 0.528 31.817 31.700 -0.685 0.000 0.836 120 K N 2.042 122.447 120.400 0.009 0.000 2.074 120 K HA -0.168 4.156 4.320 0.006 0.000 0.209 120 K C 1.381 178.017 176.600 0.060 0.000 1.048 120 K CA 1.844 58.155 56.287 0.040 0.000 0.926 120 K CB -0.151 32.370 32.500 0.035 0.000 0.713 120 K HN 0.299 nan 8.250 nan 0.000 0.444 121 K N -0.258 120.210 120.400 0.113 0.000 2.353 121 K HA 0.115 4.438 4.320 0.006 0.000 0.195 121 K C 0.021 176.669 176.600 0.079 0.000 1.031 121 K CA -0.298 55.963 56.287 -0.044 0.000 1.079 121 K CB -0.065 32.186 32.500 -0.415 0.000 0.857 121 K HN 0.030 nan 8.250 nan 0.000 0.535 122 L N 3.225 124.631 121.223 0.306 0.000 2.462 122 L HA -0.006 4.337 4.340 0.006 0.000 0.272 122 L C 0.025 177.055 176.870 0.266 0.000 1.166 122 L CA 0.811 55.863 54.840 0.353 0.000 0.880 122 L CB 0.029 42.263 42.059 0.292 0.000 1.142 122 L HN 0.301 nan 8.230 nan 0.000 0.473 123 Q N 3.509 123.445 119.800 0.227 0.000 2.534 123 Q HA 0.409 4.752 4.340 0.006 0.000 0.290 123 Q C -1.227 174.765 176.000 -0.013 0.000 0.991 123 Q CA -1.105 54.681 55.803 -0.028 0.000 0.783 123 Q CB 1.213 29.948 28.738 -0.005 0.000 1.470 123 Q HN 0.483 nan 8.270 nan 0.000 0.406 124 K N 1.527 121.731 120.400 -0.327 0.000 2.401 124 K HA 0.129 4.452 4.320 0.006 0.000 0.278 124 K C -0.272 176.232 176.600 -0.160 0.000 1.018 124 K CA -0.160 55.965 56.287 -0.269 0.000 0.981 124 K CB 0.662 32.921 32.500 -0.402 0.000 0.933 124 K HN 0.803 nan 8.250 nan 0.000 0.477 125 M N 4.250 123.688 119.600 -0.271 0.000 2.246 125 M HA -0.014 4.469 4.480 0.006 0.000 0.350 125 M C -0.277 175.952 176.300 -0.118 0.000 1.406 125 M CA 0.467 55.495 55.300 -0.454 0.000 1.089 125 M CB 0.385 32.487 32.600 -0.830 0.000 1.782 125 M HN 0.673 nan 8.290 nan 0.000 0.457 126 T N 3.143 117.622 114.554 -0.125 0.000 2.940 126 T HA 0.563 4.916 4.350 0.006 0.000 0.288 126 T C -0.208 174.355 174.700 -0.230 0.000 1.033 126 T CA -1.223 60.794 62.100 -0.139 0.000 1.033 126 T CB 1.084 69.862 68.868 -0.149 0.000 1.079 126 T HN 0.857 nan 8.240 nan 0.000 0.496 127 R N 0.571 120.974 120.500 -0.162 0.000 2.643 127 R HA 0.392 4.736 4.340 0.006 0.000 0.270 127 R C -1.166 174.983 176.300 -0.251 0.000 1.061 127 R CA -0.430 55.600 56.100 -0.116 0.000 1.107 127 R CB -0.031 30.245 30.300 -0.041 0.000 0.999 127 R HN 0.516 nan 8.270 nan 0.000 0.460 128 F N 2.010 121.978 119.950 0.030 0.000 2.411 128 F HA 0.338 4.868 4.527 0.006 0.000 0.324 128 F C -1.191 174.609 175.800 -0.000 0.000 1.086 128 F CA -2.651 55.359 58.000 0.017 0.000 1.028 128 F CB 1.130 40.142 39.000 0.020 0.000 1.284 128 F HN 0.402 nan 8.300 nan 0.000 0.501 129 P HA -0.196 nan 4.420 nan 0.000 0.216 129 P C 0.812 178.155 177.300 0.071 0.000 1.150 129 P CA 1.600 64.754 63.100 0.089 0.000 0.843 129 P CB 0.125 31.865 31.700 0.067 0.000 0.787 130 N N -1.286 117.463 118.700 0.083 0.000 2.322 130 N HA -0.018 4.726 4.740 0.006 0.000 0.194 130 N C -0.469 175.075 175.510 0.056 0.000 1.126 130 N CA 0.017 53.096 53.050 0.049 0.000 0.845 130 N CB -0.414 38.087 38.487 0.024 0.000 0.976 130 N HN -0.095 nan 8.380 nan 0.000 0.475 131 D N -0.496 119.955 120.400 0.085 0.000 2.372 131 D HA 0.149 4.793 4.640 0.006 0.000 0.243 131 D C -0.475 175.844 176.300 0.032 0.000 1.121 131 D CA 0.422 54.466 54.000 0.072 0.000 0.898 131 D CB 1.128 41.992 40.800 0.106 0.000 1.202 131 D HN -0.053 nan 8.370 nan 0.000 0.428 132 S N 1.275 116.983 115.700 0.014 0.000 2.062 132 S HA 0.238 4.712 4.470 0.006 0.000 0.163 132 S C 0.108 174.692 174.600 -0.027 0.000 1.612 132 S CA -0.599 57.599 58.200 -0.004 0.000 1.251 132 S CB -0.047 63.152 63.200 -0.002 0.000 1.174 132 S HN 0.232 nan 8.310 nan 0.000 0.428 133 L N 2.322 123.524 121.223 -0.035 0.000 2.513 133 L HA 0.197 4.541 4.340 0.006 0.000 0.272 133 L C 0.405 177.225 176.870 -0.084 0.000 1.187 133 L CA -0.025 54.770 54.840 -0.076 0.000 0.895 133 L CB 0.205 42.218 42.059 -0.076 0.000 1.147 133 L HN 0.352 nan 8.230 nan 0.000 0.483 134 D N 2.734 123.061 120.400 -0.122 0.000 2.359 134 D HA 0.278 4.922 4.640 0.006 0.000 0.230 134 D C 0.756 176.976 176.300 -0.134 0.000 1.118 134 D CA -0.269 53.665 54.000 -0.109 0.000 0.844 134 D CB 1.995 42.727 40.800 -0.114 0.000 1.059 134 D HN 0.570 nan 8.370 nan 0.000 0.493 135 A N 3.970 126.744 122.820 -0.077 0.000 1.986 135 A HA -0.130 4.193 4.320 0.006 0.000 0.220 135 A C 2.025 179.581 177.584 -0.047 0.000 1.171 135 A CA 1.919 53.925 52.037 -0.052 0.000 0.640 135 A CB -0.476 18.530 19.000 0.011 0.000 0.811 135 A HN 0.654 nan 8.150 nan 0.000 0.451 136 A N -0.875 121.919 122.820 -0.043 0.000 2.121 136 A HA 0.174 4.498 4.320 0.006 0.000 0.218 136 A C 1.647 179.200 177.584 -0.052 0.000 1.154 136 A CA 1.153 53.188 52.037 -0.003 0.000 0.679 136 A CB -0.373 18.628 19.000 0.001 0.000 0.795 136 A HN 0.488 nan 8.150 nan 0.000 0.458 137 L N -0.967 120.097 121.223 -0.264 0.000 2.818 137 L HA 0.207 4.551 4.340 0.006 0.000 0.243 137 L C -0.433 175.786 176.870 -1.085 0.000 1.185 137 L CA -0.565 53.857 54.840 -0.697 0.000 0.988 137 L CB 0.193 41.907 42.059 -0.575 0.000 1.292 137 L HN 0.247 nan 8.230 nan 0.000 0.519 138 C N -0.647 118.303 119.300 -0.583 0.000 2.529 138 C HA 0.659 5.123 4.460 0.006 0.000 0.329 138 C C 0.425 175.344 174.990 -0.118 0.000 1.194 138 C CA -0.715 57.943 59.018 -0.600 0.000 1.779 138 C CB 1.213 28.372 27.740 -0.969 0.000 2.322 138 C HN 0.580 nan 8.230 nan 0.000 0.500 139 H N 0.146 119.430 119.070 0.357 0.000 1.452 139 H HA -0.033 4.527 4.556 0.006 0.000 0.090 139 H C 0.119 175.833 175.328 0.643 0.000 2.464 139 H CA 1.294 57.562 56.048 0.366 0.000 1.901 139 H CB -1.667 28.191 29.762 0.161 0.000 2.257 139 H HN 1.903 nan 8.280 nan 0.000 0.961 140 G N -0.581 108.587 108.800 0.613 0.000 2.326 140 G HA2 0.111 4.074 3.960 0.006 0.000 0.478 140 G HA3 0.111 4.074 3.960 0.006 0.000 0.478 140 G C -0.041 175.151 174.900 0.487 0.000 1.551 140 G CA 0.347 45.727 45.100 0.467 0.000 0.946 140 G HN 0.495 nan 8.290 nan 0.000 0.671 141 D N -1.217 119.390 120.400 0.345 0.000 2.117 141 D HA 0.030 4.673 4.640 0.006 0.000 0.198 141 D C 1.656 178.159 176.300 0.339 0.000 0.982 141 D CA 2.493 56.682 54.000 0.314 0.000 0.828 141 D CB 0.251 41.194 40.800 0.238 0.000 0.967 141 D HN 1.125 nan 8.370 nan 0.000 0.464 142 V N -1.691 118.392 119.914 0.282 0.000 3.007 142 V HA 0.666 4.790 4.120 0.006 0.000 0.311 142 V C -1.131 174.965 176.094 0.004 0.000 1.120 142 V CA -1.198 61.214 62.300 0.187 0.000 0.980 142 V CB 2.621 34.524 31.823 0.132 0.000 1.033 142 V HN -0.095 nan 8.190 nan 0.000 0.429 143 L N 3.507 124.583 121.223 -0.245 0.000 2.386 143 L HA 0.753 5.097 4.340 0.006 0.000 0.271 143 L C -1.054 175.672 176.870 -0.240 0.000 0.993 143 L CA -0.424 54.132 54.840 -0.472 0.000 0.819 143 L CB 1.788 43.174 42.059 -1.122 0.000 1.294 143 L HN 0.803 nan 8.230 nan 0.000 0.414 144 L N 4.215 125.340 121.223 -0.162 0.000 2.317 144 L HA 0.550 4.894 4.340 0.006 0.000 0.281 144 L C -0.406 176.357 176.870 -0.179 0.000 1.024 144 L CA -0.534 54.230 54.840 -0.128 0.000 0.810 144 L CB 1.656 43.691 42.059 -0.040 0.000 1.240 144 L HN 0.639 nan 8.230 nan 0.000 0.427 145 Q N 4.395 124.110 119.800 -0.141 0.000 2.372 145 Q HA 0.505 4.849 4.340 0.006 0.000 0.259 145 Q C -1.319 174.599 176.000 -0.136 0.000 0.993 145 Q CA -0.471 55.263 55.803 -0.116 0.000 0.854 145 Q CB 1.286 30.010 28.738 -0.023 0.000 1.231 145 Q HN 0.620 nan 8.270 nan 0.000 0.462 146 I N 4.286 124.759 120.570 -0.161 0.000 2.354 146 I HA 0.371 4.545 4.170 0.006 0.000 0.286 146 I C -0.725 175.303 176.117 -0.149 0.000 1.007 146 I CA -0.753 60.447 61.300 -0.167 0.000 1.167 146 I CB 1.148 39.049 38.000 -0.166 0.000 1.320 146 I HN 0.593 nan 8.210 nan 0.000 0.458 147 C N 5.252 124.483 119.300 -0.114 0.000 2.507 147 C HA 0.978 5.442 4.460 0.006 0.000 0.319 147 C C 0.408 175.374 174.990 -0.040 0.000 1.208 147 C CA -0.367 58.597 59.018 -0.090 0.000 1.619 147 C CB 0.981 28.700 27.740 -0.037 0.000 2.230 147 C HN 0.892 nan 8.230 nan 0.000 0.492 148 A N 2.288 125.098 122.820 -0.017 0.000 2.602 148 A HA 0.599 4.922 4.320 0.006 0.000 0.290 148 A C 0.465 178.070 177.584 0.034 0.000 1.114 148 A CA -0.425 51.614 52.037 0.003 0.000 0.683 148 A CB 0.648 19.638 19.000 -0.016 0.000 1.281 148 A HN 0.729 nan 8.150 nan 0.000 0.416 149 N N 0.315 119.036 118.700 0.034 0.000 2.137 149 N HA -0.092 4.651 4.740 0.006 0.000 0.190 149 N C 0.785 176.323 175.510 0.046 0.000 1.017 149 N CA 2.120 55.198 53.050 0.047 0.000 0.859 149 N CB -0.376 38.132 38.487 0.034 0.000 1.002 149 N HN 0.940 nan 8.380 nan 0.000 0.428 150 T N -3.741 110.830 114.554 0.028 0.000 2.916 150 T HA 0.270 4.624 4.350 0.006 0.000 0.292 150 T C 0.741 175.453 174.700 0.020 0.000 1.055 150 T CA -0.868 61.247 62.100 0.026 0.000 1.009 150 T CB 2.751 71.627 68.868 0.014 0.000 1.118 150 T HN -0.021 nan 8.240 nan 0.000 0.497 151 Q N 0.400 120.215 119.800 0.024 0.000 2.119 151 Q HA -0.161 4.182 4.340 0.006 0.000 0.201 151 Q C 1.142 177.153 176.000 0.018 0.000 0.972 151 Q CA 2.103 57.918 55.803 0.020 0.000 0.847 151 Q CB -0.310 28.443 28.738 0.024 0.000 0.903 151 Q HN 0.838 nan 8.270 nan 0.000 0.433 152 D N -0.518 119.893 120.400 0.019 0.000 2.106 152 D HA -0.173 4.470 4.640 0.006 0.000 0.191 152 D C 1.735 178.060 176.300 0.042 0.000 0.997 152 D CA 2.193 56.209 54.000 0.026 0.000 0.834 152 D CB -0.122 40.684 40.800 0.011 0.000 0.956 152 D HN 0.256 nan 8.370 nan 0.000 0.448 153 T N -0.428 114.136 114.554 0.018 0.000 2.746 153 T HA -0.121 4.233 4.350 0.006 0.000 0.267 153 T C 2.119 176.844 174.700 0.043 0.000 1.039 153 T CA 0.773 62.883 62.100 0.017 0.000 1.142 153 T CB -0.381 68.474 68.868 -0.022 0.000 0.866 153 T HN -0.032 nan 8.240 nan 0.000 0.444 154 V N 1.147 121.066 119.914 0.009 0.000 2.343 154 V HA -0.114 4.010 4.120 0.006 0.000 0.247 154 V C 2.347 178.438 176.094 -0.005 0.000 1.051 154 V CA 1.451 63.741 62.300 -0.018 0.000 1.036 154 V CB -0.526 31.274 31.823 -0.038 0.000 0.654 154 V HN 0.474 nan 8.190 nan 0.000 0.451 155 I N -0.798 119.783 120.570 0.018 0.000 2.353 155 I HA -0.218 3.955 4.170 0.006 0.000 0.248 155 I C 2.550 178.684 176.117 0.029 0.000 1.119 155 I CA 1.485 62.795 61.300 0.017 0.000 1.417 155 I CB -0.609 37.407 38.000 0.026 0.000 1.078 155 I HN 0.431 nan 8.210 nan 0.000 0.421 156 H N 1.693 120.758 119.070 -0.007 0.000 2.319 156 H HA -0.206 4.353 4.556 0.006 0.000 0.299 156 H C 2.187 177.522 175.328 0.012 0.000 1.092 156 H CA 1.994 58.044 56.048 0.003 0.000 1.302 156 H CB 0.160 29.916 29.762 -0.010 0.000 1.373 156 H HN 0.330 nan 8.280 nan 0.000 0.497 157 A N 1.578 124.387 122.820 -0.019 0.000 1.865 157 A HA -0.189 4.134 4.320 0.006 0.000 0.217 157 A C 2.625 180.167 177.584 -0.069 0.000 1.191 157 A CA 1.709 53.712 52.037 -0.056 0.000 0.623 157 A CB -1.131 17.839 19.000 -0.049 0.000 0.826 157 A HN 0.455 nan 8.150 nan 0.000 0.444 158 L N -0.208 120.990 121.223 -0.042 0.000 2.021 158 L HA -0.214 4.130 4.340 0.006 0.000 0.215 158 L C 2.443 179.320 176.870 0.011 0.000 1.074 158 L CA 2.410 57.255 54.840 0.009 0.000 0.760 158 L CB -0.611 41.449 42.059 0.001 0.000 0.889 158 L HN 0.387 nan 8.230 nan 0.000 0.433 159 R N -0.612 119.859 120.500 -0.048 0.000 2.115 159 R HA -0.154 4.190 4.340 0.006 0.000 0.230 159 R C 2.163 178.438 176.300 -0.042 0.000 1.111 159 R CA 1.257 57.332 56.100 -0.043 0.000 0.976 159 R CB -0.529 29.740 30.300 -0.051 0.000 0.870 159 R HN 0.610 nan 8.270 nan 0.000 0.445 160 D N 0.859 121.197 120.400 -0.103 0.000 2.097 160 D HA -0.156 4.488 4.640 0.006 0.000 0.195 160 D C 1.808 178.206 176.300 0.163 0.000 0.989 160 D CA 1.196 55.207 54.000 0.018 0.000 0.827 160 D CB 0.107 40.875 40.800 -0.053 0.000 0.966 160 D HN 0.148 nan 8.370 nan 0.000 0.456 161 I N 0.940 121.570 120.570 0.100 0.000 2.127 161 I HA -0.275 3.898 4.170 0.006 0.000 0.241 161 I C 2.663 178.834 176.117 0.089 0.000 1.075 161 I CA 0.867 62.233 61.300 0.111 0.000 1.334 161 I CB -0.210 37.865 38.000 0.124 0.000 1.040 161 I HN 0.051 nan 8.210 nan 0.000 0.405 162 I N 0.504 121.128 120.570 0.090 0.000 2.286 162 I HA -0.292 3.881 4.170 0.006 0.000 0.248 162 I C 2.548 178.688 176.117 0.039 0.000 1.115 162 I CA 1.201 62.549 61.300 0.081 0.000 1.392 162 I CB -0.296 37.768 38.000 0.107 0.000 1.065 162 I HN 0.175 nan 8.210 nan 0.000 0.418 163 K N 0.811 121.227 120.400 0.026 0.000 2.152 163 K HA -0.214 4.109 4.320 0.006 0.000 0.206 163 K C 1.665 178.167 176.600 -0.164 0.000 1.048 163 K CA 1.810 58.054 56.287 -0.071 0.000 0.933 163 K CB -0.285 32.153 32.500 -0.104 0.000 0.721 163 K HN 0.399 nan 8.250 nan 0.000 0.447 164 H N -1.548 117.501 119.070 -0.035 0.000 2.539 164 H HA 0.159 4.718 4.556 0.006 0.000 0.269 164 H C -0.033 175.261 175.328 -0.056 0.000 0.980 164 H CA 1.192 57.212 56.048 -0.047 0.000 1.152 164 H CB 0.610 30.340 29.762 -0.052 0.000 1.407 164 H HN 0.333 nan 8.280 nan 0.000 0.564 165 T N -3.469 111.098 114.554 0.022 0.000 3.516 165 T HA 0.134 4.488 4.350 0.006 0.000 0.300 165 T C -1.888 172.800 174.700 -0.020 0.000 0.995 165 T CA -1.010 61.079 62.100 -0.019 0.000 0.982 165 T CB 0.420 69.243 68.868 -0.075 0.000 1.199 165 T HN 0.024 nan 8.240 nan 0.000 0.481 166 P HA -0.070 nan 4.420 nan 0.000 0.220 166 P C 0.798 178.098 177.300 -0.000 0.000 1.148 166 P CA 1.260 64.358 63.100 -0.004 0.000 0.803 166 P CB 0.067 31.758 31.700 -0.016 0.000 0.782 167 D N -1.272 119.122 120.400 -0.010 0.000 2.349 167 D HA 0.028 4.671 4.640 0.006 0.000 0.214 167 D C 1.635 177.931 176.300 -0.008 0.000 1.063 167 D CA 0.188 54.184 54.000 -0.007 0.000 0.847 167 D CB -0.489 40.303 40.800 -0.014 0.000 0.933 167 D HN 0.251 nan 8.370 nan 0.000 0.513 168 L N -0.933 120.280 121.223 -0.018 0.000 2.766 168 L HA 0.341 4.685 4.340 0.006 0.000 0.241 168 L C 0.400 177.250 176.870 -0.032 0.000 1.080 168 L CA 0.141 54.962 54.840 -0.032 0.000 0.909 168 L CB 0.767 42.790 42.059 -0.060 0.000 1.277 168 L HN -0.132 nan 8.230 nan 0.000 0.510 169 L N -0.756 120.448 121.223 -0.032 0.000 2.401 169 L HA 0.502 4.846 4.340 0.006 0.000 0.266 169 L C -0.646 176.298 176.870 0.124 0.000 0.991 169 L CA -0.310 54.523 54.840 -0.011 0.000 0.818 169 L CB 2.380 44.270 42.059 -0.283 0.000 1.321 169 L HN -0.192 nan 8.230 nan 0.000 0.413 170 S N 1.557 117.392 115.700 0.226 0.000 2.594 170 S HA 0.402 4.875 4.470 0.006 0.000 0.296 170 S C -0.819 173.940 174.600 0.266 0.000 1.124 170 S CA -0.494 57.836 58.200 0.217 0.000 1.011 170 S CB 1.854 65.129 63.200 0.125 0.000 1.016 170 S HN 0.403 nan 8.310 nan 0.000 0.485 171 V N 6.762 126.769 119.914 0.156 0.000 2.617 171 V HA 0.248 4.372 4.120 0.006 0.000 0.304 171 V C 1.160 177.178 176.094 -0.126 0.000 1.040 171 V CA 0.902 63.087 62.300 -0.191 0.000 1.149 171 V CB 0.750 32.415 31.823 -0.263 0.000 0.914 171 V HN 1.051 nan 8.190 nan 0.000 0.487 172 R N 5.972 126.341 120.500 -0.217 0.000 2.084 172 R HA 0.239 4.582 4.340 0.006 0.000 0.209 172 R C 0.094 176.414 176.300 0.033 0.000 1.173 172 R CA 0.710 56.780 56.100 -0.049 0.000 1.053 172 R CB 0.396 30.697 30.300 0.001 0.000 0.948 172 R HN 0.837 nan 8.270 nan 0.000 0.460 173 W N 0.083 121.297 121.300 -0.144 0.000 3.075 173 W HA 0.566 5.229 4.660 0.005 0.000 0.334 173 W C -1.863 174.539 176.519 -0.195 0.000 1.243 173 W CA -0.999 56.263 57.345 -0.140 0.000 1.170 173 W CB 0.775 30.175 29.460 -0.100 0.000 1.452 173 W HN -0.143 nan 8.180 nan 0.000 0.572 174 K N 2.133 122.657 120.400 0.207 0.000 2.557 174 K HA 0.576 4.900 4.320 0.006 0.000 0.261 174 K C -1.916 174.756 176.600 0.120 0.000 0.932 174 K CA -0.662 55.640 56.287 0.026 0.000 0.829 174 K CB 3.166 35.592 32.500 -0.124 0.000 1.358 174 K HN 0.743 nan 8.250 nan 0.000 0.430 175 R N 2.337 122.888 120.500 0.084 0.000 2.584 175 R HA 0.267 4.610 4.340 0.006 0.000 0.276 175 R C -1.329 174.958 176.300 -0.021 0.000 1.046 175 R CA -0.535 55.563 56.100 -0.003 0.000 0.906 175 R CB 1.957 32.196 30.300 -0.102 0.000 1.215 175 R HN 0.666 nan 8.270 nan 0.000 0.449 176 E N 1.116 121.313 120.200 -0.005 0.000 2.191 176 E HA 0.559 4.913 4.350 0.006 0.000 0.274 176 E C -0.493 176.166 176.600 0.098 0.000 0.948 176 E CA -0.837 55.575 56.400 0.020 0.000 0.802 176 E CB 2.201 31.924 29.700 0.037 0.000 1.137 176 E HN 0.728 nan 8.360 nan 0.000 0.397 177 G N 1.351 110.201 108.800 0.083 0.000 2.827 177 G HA2 0.714 4.678 3.960 0.006 0.000 0.296 177 G HA3 0.714 4.678 3.960 0.006 0.000 0.296 177 G C -1.530 173.538 174.900 0.280 0.000 1.362 177 G CA -0.713 44.498 45.100 0.186 0.000 0.809 177 G HN 0.435 nan 8.290 nan 0.000 0.522 178 F N -1.372 118.752 119.950 0.289 0.000 2.713 178 F HA 0.802 5.333 4.527 0.006 0.000 0.311 178 F C -0.840 175.177 175.800 0.362 0.000 1.141 178 F CA -1.579 56.618 58.000 0.329 0.000 0.939 178 F CB 1.044 40.142 39.000 0.163 0.000 1.325 178 F HN 0.694 nan 8.300 nan 0.000 0.453 179 I N -0.318 120.482 120.570 0.383 0.000 3.170 179 I HA 0.791 4.964 4.170 0.006 0.000 0.312 179 I C -0.018 176.310 176.117 0.352 0.000 1.085 179 I CA -1.169 60.221 61.300 0.149 0.000 0.999 179 I CB 1.974 39.925 38.000 -0.082 0.000 1.233 179 I HN 0.851 nan 8.210 nan 0.000 0.467 180 S N 0.614 116.461 115.700 0.245 0.000 2.573 180 S HA 0.067 4.540 4.470 0.006 0.000 0.277 180 S C 0.324 175.027 174.600 0.172 0.000 1.346 180 S CA 0.179 58.511 58.200 0.220 0.000 1.034 180 S CB 0.726 64.034 63.200 0.181 0.000 0.879 180 S HN 0.736 nan 8.310 nan 0.000 0.528 181 D N 0.707 121.192 120.400 0.141 0.000 2.104 181 D HA -0.146 4.498 4.640 0.006 0.000 0.194 181 D C 1.730 178.101 176.300 0.118 0.000 0.994 181 D CA 1.750 55.811 54.000 0.101 0.000 0.830 181 D CB -0.499 40.332 40.800 0.053 0.000 0.959 181 D HN 0.740 nan 8.370 nan 0.000 0.452 182 H N 0.791 119.886 119.070 0.041 0.000 2.255 182 H HA -0.183 4.377 4.556 0.006 0.000 0.290 182 H C 2.087 177.431 175.328 0.026 0.000 1.087 182 H CA 2.198 58.264 56.048 0.029 0.000 1.213 182 H CB -0.623 29.154 29.762 0.025 0.000 1.349 182 H HN 0.178 nan 8.280 nan 0.000 0.487 183 A N 0.524 123.463 122.820 0.197 0.000 1.968 183 A HA 0.045 4.369 4.320 0.006 0.000 0.217 183 A C 2.724 180.354 177.584 0.076 0.000 1.169 183 A CA 1.645 53.737 52.037 0.091 0.000 0.638 183 A CB -0.863 18.153 19.000 0.027 0.000 0.812 183 A HN 0.563 nan 8.150 nan 0.000 0.446 184 A N -0.030 122.842 122.820 0.087 0.000 1.877 184 A HA -0.182 4.142 4.320 0.006 0.000 0.216 184 A C 2.222 179.846 177.584 0.067 0.000 1.186 184 A CA 1.595 53.678 52.037 0.076 0.000 0.620 184 A CB -0.491 18.567 19.000 0.097 0.000 0.822 184 A HN 0.503 nan 8.150 nan 0.000 0.443 185 R N 0.189 120.730 120.500 0.069 0.000 2.152 185 R HA -0.101 4.242 4.340 0.006 0.000 0.232 185 R C 2.173 178.504 176.300 0.051 0.000 1.117 185 R CA 1.386 57.517 56.100 0.052 0.000 0.981 185 R CB -0.262 30.061 30.300 0.037 0.000 0.870 185 R HN 0.710 nan 8.270 nan 0.000 0.451 186 S N 0.719 116.457 115.700 0.063 0.000 2.607 186 S HA -0.007 4.466 4.470 0.006 0.000 0.224 186 S C 0.138 174.761 174.600 0.038 0.000 0.969 186 S CA -0.007 58.225 58.200 0.054 0.000 0.927 186 S CB 0.142 63.380 63.200 0.063 0.000 0.772 186 S HN 0.087 nan 8.310 nan 0.000 0.533 187 K N 0.835 121.257 120.400 0.036 0.000 3.311 187 K HA -0.205 4.118 4.320 0.006 0.000 0.270 187 K C 1.012 177.625 176.600 0.023 0.000 0.927 187 K CA 0.763 57.068 56.287 0.030 0.000 0.706 187 K CB -2.701 29.815 32.500 0.027 0.000 1.418 187 K HN 1.208 nan 8.250 nan 0.000 0.459 188 G N -0.548 108.263 108.800 0.020 0.000 2.176 188 G HA2 -0.384 3.579 3.960 0.006 0.000 0.253 188 G HA3 -0.384 3.579 3.960 0.006 0.000 0.253 188 G C 0.887 175.795 174.900 0.014 0.000 0.979 188 G CA 0.671 45.778 45.100 0.011 0.000 0.641 188 G HN 0.441 nan 8.290 nan 0.000 0.530 189 K N 0.129 120.541 120.400 0.019 0.000 2.361 189 K HA 0.159 4.483 4.320 0.006 0.000 0.196 189 K C 0.867 177.485 176.600 0.030 0.000 1.039 189 K CA 0.635 56.934 56.287 0.020 0.000 1.001 189 K CB 0.316 32.827 32.500 0.017 0.000 0.795 189 K HN 0.519 nan 8.250 nan 0.000 0.495 190 E N 1.053 121.269 120.200 0.026 0.000 2.187 190 E HA 0.127 4.481 4.350 0.006 0.000 0.268 190 E C -1.258 175.339 176.600 -0.005 0.000 0.896 190 E CA -0.512 55.894 56.400 0.009 0.000 0.766 190 E CB 1.404 31.100 29.700 -0.007 0.000 1.142 190 E HN -0.107 nan 8.360 nan 0.000 0.408 191 T N 5.646 120.193 114.554 -0.012 0.000 2.834 191 T HA 0.185 4.539 4.350 0.006 0.000 0.298 191 T C -2.326 172.342 174.700 -0.054 0.000 0.966 191 T CA -1.064 61.020 62.100 -0.026 0.000 1.141 191 T CB 0.583 69.433 68.868 -0.030 0.000 0.905 191 T HN 0.362 nan 8.240 nan 0.000 0.535 192 P HA 0.188 nan 4.420 nan 0.000 0.266 192 P C -0.311 176.951 177.300 -0.064 0.000 1.195 192 P CA -0.205 62.856 63.100 -0.066 0.000 0.768 192 P CB 0.322 31.957 31.700 -0.108 0.000 0.838 193 I N 2.964 123.505 120.570 -0.049 0.000 2.365 193 I HA 0.160 4.333 4.170 0.006 0.000 0.291 193 I C 1.132 177.236 176.117 -0.020 0.000 1.004 193 I CA -0.627 60.646 61.300 -0.044 0.000 1.311 193 I CB 0.759 38.733 38.000 -0.043 0.000 1.401 193 I HN 0.418 nan 8.210 nan 0.000 0.491 194 N N 6.558 125.249 118.700 -0.014 0.000 2.366 194 N HA 0.206 4.950 4.740 0.006 0.000 0.277 194 N C 0.256 175.814 175.510 0.081 0.000 1.275 194 N CA -0.504 52.565 53.050 0.031 0.000 0.964 194 N CB 0.523 39.056 38.487 0.076 0.000 1.167 194 N HN 0.537 nan 8.380 nan 0.000 0.568 195 L N -0.794 120.535 121.223 0.176 0.000 2.599 195 L HA 0.181 4.525 4.340 0.006 0.000 0.230 195 L C 1.106 178.057 176.870 0.136 0.000 1.141 195 L CA 0.271 55.219 54.840 0.181 0.000 0.877 195 L CB -0.393 41.765 42.059 0.164 0.000 1.009 195 L HN 0.464 nan 8.230 nan 0.000 0.447 196 L N -0.594 120.612 121.223 -0.029 0.000 2.592 196 L HA 0.251 4.595 4.340 0.006 0.000 0.227 196 L C 1.442 178.496 176.870 0.307 0.000 1.127 196 L CA 0.446 55.169 54.840 -0.194 0.000 0.884 196 L CB -0.198 41.336 42.059 -0.875 0.000 1.065 196 L HN 0.404 nan 8.230 nan 0.000 0.457 197 G N 0.025 108.923 108.800 0.162 0.000 2.136 197 G HA2 -0.291 3.673 3.960 0.006 0.000 0.242 197 G HA3 -0.291 3.673 3.960 0.006 0.000 0.242 197 G C -0.078 174.758 174.900 -0.108 0.000 0.989 197 G CA -0.274 44.869 45.100 0.072 0.000 0.682 197 G HN 0.168 nan 8.290 nan 0.000 0.522 198 F N 0.479 120.292 119.950 -0.229 0.000 2.470 198 F HA 0.624 5.155 4.527 0.006 0.000 0.329 198 F C 0.952 176.571 175.800 -0.302 0.000 1.072 198 F CA -0.964 56.810 58.000 -0.377 0.000 0.989 198 F CB 1.270 39.732 39.000 -0.898 0.000 1.193 198 F HN -0.106 nan 8.300 nan 0.000 0.481 199 K N 0.881 121.218 120.400 -0.106 0.000 2.355 199 K HA 0.153 4.476 4.320 0.006 0.000 0.270 199 K C -1.113 175.443 176.600 -0.074 0.000 1.003 199 K CA 0.040 56.272 56.287 -0.092 0.000 0.957 199 K CB 0.348 32.788 32.500 -0.099 0.000 0.939 199 K HN 0.463 nan 8.250 nan 0.000 0.482 200 D N 0.542 120.911 120.400 -0.051 0.000 2.471 200 D HA 0.333 4.976 4.640 0.006 0.000 0.245 200 D C 0.051 176.353 176.300 0.003 0.000 1.116 200 D CA 0.276 54.265 54.000 -0.019 0.000 0.853 200 D CB 1.034 41.821 40.800 -0.023 0.000 1.123 200 D HN 0.619 nan 8.370 nan 0.000 0.540 201 G N 2.538 111.366 108.800 0.045 0.000 2.140 201 G HA2 -0.302 3.661 3.960 0.006 0.000 0.211 201 G HA3 -0.302 3.661 3.960 0.006 0.000 0.211 201 G C 1.230 176.162 174.900 0.053 0.000 1.013 201 G CA 0.367 45.500 45.100 0.055 0.000 0.705 201 G HN 0.534 nan 8.290 nan 0.000 0.508 202 T N 0.326 114.903 114.554 0.037 0.000 2.699 202 T HA 0.003 4.356 4.350 0.006 0.000 0.268 202 T C 2.505 177.262 174.700 0.095 0.000 1.036 202 T CA 2.351 64.460 62.100 0.015 0.000 1.147 202 T CB -0.140 68.684 68.868 -0.073 0.000 0.862 202 T HN 1.353 nan 8.240 nan 0.000 0.446 203 A N 1.076 123.951 122.820 0.092 0.000 2.302 203 A HA 0.203 4.526 4.320 0.006 0.000 0.219 203 A C 0.758 178.399 177.584 0.094 0.000 1.243 203 A CA -0.387 51.715 52.037 0.108 0.000 0.856 203 A CB -0.291 18.765 19.000 0.092 0.000 0.893 203 A HN 0.261 nan 8.150 nan 0.000 0.491 204 N N 2.227 120.979 118.700 0.086 0.000 2.353 204 N HA 0.115 4.859 4.740 0.006 0.000 0.248 204 N C -2.303 173.233 175.510 0.045 0.000 1.240 204 N CA -0.642 52.443 53.050 0.058 0.000 0.862 204 N CB 0.394 38.907 38.487 0.042 0.000 1.086 204 N HN 0.291 nan 8.380 nan 0.000 0.453 205 P HA 0.050 nan 4.420 nan 0.000 0.272 205 P C -0.647 176.649 177.300 -0.006 0.000 1.230 205 P CA -0.339 62.766 63.100 0.008 0.000 0.788 205 P CB 0.475 32.174 31.700 -0.001 0.000 0.949 206 D N 0.304 120.696 120.400 -0.013 0.000 2.346 206 D HA 0.022 4.665 4.640 0.006 0.000 0.260 206 D C 1.087 177.374 176.300 -0.021 0.000 1.252 206 D CA -0.034 53.955 54.000 -0.019 0.000 0.895 206 D CB 0.256 41.042 40.800 -0.022 0.000 1.097 206 D HN 0.169 nan 8.370 nan 0.000 0.489 207 S N 2.642 118.327 115.700 -0.024 0.000 2.515 207 S HA -0.163 4.311 4.470 0.006 0.000 0.231 207 S C 1.412 176.010 174.600 -0.002 0.000 0.987 207 S CA 0.471 58.651 58.200 -0.033 0.000 0.936 207 S CB -0.145 63.032 63.200 -0.039 0.000 0.766 207 S HN 0.645 nan 8.310 nan 0.000 0.528 208 Q N 1.044 120.848 119.800 0.006 0.000 2.398 208 Q HA 0.181 4.525 4.340 0.006 0.000 0.204 208 Q C 0.310 176.328 176.000 0.030 0.000 0.932 208 Q CA -0.024 55.793 55.803 0.022 0.000 0.916 208 Q CB -0.061 28.685 28.738 0.014 0.000 1.024 208 Q HN 0.413 nan 8.270 nan 0.000 0.504 209 N N 1.816 120.527 118.700 0.020 0.000 2.466 209 N HA -0.048 4.696 4.740 0.006 0.000 0.263 209 N C -0.423 175.116 175.510 0.048 0.000 1.178 209 N CA 0.230 53.295 53.050 0.025 0.000 0.983 209 N CB 0.704 39.197 38.487 0.011 0.000 1.331 209 N HN 0.046 nan 8.380 nan 0.000 0.500 210 D N 1.915 122.359 120.400 0.072 0.000 2.158 210 D HA -0.178 4.465 4.640 0.006 0.000 0.197 210 D C 1.509 177.882 176.300 0.123 0.000 0.995 210 D CA 1.224 55.296 54.000 0.120 0.000 0.846 210 D CB 0.397 41.263 40.800 0.109 0.000 0.941 210 D HN 0.468 nan 8.370 nan 0.000 0.456 211 K N 0.037 120.483 120.400 0.076 0.000 2.116 211 K HA -0.022 4.301 4.320 0.006 0.000 0.203 211 K C 2.043 178.671 176.600 0.047 0.000 1.052 211 K CA 0.139 56.464 56.287 0.064 0.000 0.952 211 K CB -0.219 32.305 32.500 0.040 0.000 0.729 211 K HN 0.134 nan 8.250 nan 0.000 0.446 212 L N 1.225 122.467 121.223 0.030 0.000 2.056 212 L HA -0.135 4.208 4.340 0.006 0.000 0.207 212 L C 2.132 178.998 176.870 -0.006 0.000 1.078 212 L CA 1.481 56.326 54.840 0.010 0.000 0.749 212 L CB -0.333 41.728 42.059 0.003 0.000 0.901 212 L HN 0.095 nan 8.230 nan 0.000 0.433 213 M N -1.118 118.478 119.600 -0.007 0.000 2.279 213 M HA -0.184 4.300 4.480 0.006 0.000 0.264 213 M C 2.287 178.563 176.300 -0.040 0.000 1.062 213 M CA 1.350 56.587 55.300 -0.104 0.000 1.099 213 M CB -1.118 31.421 32.600 -0.101 0.000 1.394 213 M HN 0.373 nan 8.290 nan 0.000 0.426 214 Q N 0.569 120.458 119.800 0.148 0.000 2.119 214 Q HA -0.077 4.267 4.340 0.006 0.000 0.201 214 Q C 1.973 178.011 176.000 0.064 0.000 0.972 214 Q CA 1.541 57.472 55.803 0.215 0.000 0.847 214 Q CB 0.085 28.928 28.738 0.176 0.000 0.903 214 Q HN 0.424 nan 8.270 nan 0.000 0.433 215 K N -1.010 119.385 120.400 -0.009 0.000 2.007 215 K HA -0.064 4.260 4.320 0.006 0.000 0.206 215 K C 2.005 178.528 176.600 -0.129 0.000 1.047 215 K CA 1.513 57.735 56.287 -0.109 0.000 0.937 215 K CB -0.103 32.361 32.500 -0.060 0.000 0.718 215 K HN 0.061 nan 8.250 nan 0.000 0.438 216 V N 0.810 120.724 119.914 -0.000 0.000 2.256 216 V HA -0.154 3.969 4.120 0.006 0.000 0.240 216 V C 2.264 178.455 176.094 0.162 0.000 1.036 216 V CA 1.344 63.715 62.300 0.119 0.000 1.008 216 V CB -0.155 31.678 31.823 0.017 0.000 0.648 216 V HN 0.033 nan 8.190 nan 0.000 0.453 217 V N -2.389 117.449 119.914 -0.127 0.000 2.374 217 V HA 0.000 4.124 4.120 0.006 0.000 0.241 217 V C 0.830 176.794 176.094 -0.216 0.000 1.034 217 V CA 0.413 62.509 62.300 -0.340 0.000 1.037 217 V CB -0.298 31.006 31.823 -0.865 0.000 0.682 217 V HN 0.533 nan 8.190 nan 0.000 0.463 218 W N -0.178 121.147 121.300 0.041 0.000 2.272 218 W HA 0.464 5.127 4.660 0.005 0.000 0.318 218 W C -0.137 176.466 176.519 0.139 0.000 1.255 218 W CA -0.832 56.534 57.345 0.035 0.000 1.200 218 W CB 0.583 30.030 29.460 -0.022 0.000 1.170 218 W HN -0.167 nan 8.180 nan 0.000 0.549 219 V N 3.605 123.791 119.914 0.453 0.000 2.572 219 V HA 0.171 4.295 4.120 0.006 0.000 0.291 219 V C 0.602 176.841 176.094 0.243 0.000 1.039 219 V CA -0.031 62.475 62.300 0.343 0.000 1.055 219 V CB 0.077 32.105 31.823 0.343 0.000 0.969 219 V HN 0.652 nan 8.190 nan 0.000 0.482 220 T N 1.876 116.533 114.554 0.172 0.000 2.926 220 T HA 0.654 5.007 4.350 0.006 0.000 0.289 220 T C 1.091 175.833 174.700 0.069 0.000 1.054 220 T CA -0.129 62.036 62.100 0.110 0.000 1.015 220 T CB 1.917 70.840 68.868 0.091 0.000 1.167 220 T HN 0.621 nan 8.240 nan 0.000 0.526 221 A N 0.708 123.556 122.820 0.046 0.000 2.024 221 A HA -0.130 4.193 4.320 0.006 0.000 0.220 221 A C 1.780 179.381 177.584 0.029 0.000 1.164 221 A CA 2.238 54.294 52.037 0.030 0.000 0.643 221 A CB -1.408 17.605 19.000 0.022 0.000 0.806 221 A HN 1.041 nan 8.150 nan 0.000 0.451 222 D N -0.550 119.869 120.400 0.032 0.000 2.219 222 D HA -0.099 4.544 4.640 0.006 0.000 0.205 222 D C 1.051 177.372 176.300 0.035 0.000 0.970 222 D CA 0.739 54.756 54.000 0.028 0.000 0.851 222 D CB -0.323 40.489 40.800 0.020 0.000 0.943 222 D HN 0.631 nan 8.370 nan 0.000 0.488 223 Q N -0.007 119.824 119.800 0.051 0.000 2.443 223 Q HA 0.141 4.484 4.340 0.006 0.000 0.232 223 Q C 0.183 176.208 176.000 0.042 0.000 1.026 223 Q CA -0.294 55.547 55.803 0.065 0.000 0.924 223 Q CB 0.635 29.441 28.738 0.112 0.000 1.256 223 Q HN 0.202 nan 8.270 nan 0.000 0.519 224 Q N 1.498 121.321 119.800 0.039 0.000 2.642 224 Q HA 0.120 4.464 4.340 0.006 0.000 0.319 224 Q C -0.714 175.291 176.000 0.008 0.000 1.030 224 Q CA 0.265 56.082 55.803 0.023 0.000 0.943 224 Q CB 0.090 28.842 28.738 0.023 0.000 1.323 224 Q HN 0.396 nan 8.270 nan 0.000 0.419 225 E N 1.420 121.615 120.200 -0.008 0.000 2.214 225 E HA 0.388 4.742 4.350 0.006 0.000 0.274 225 E C -2.254 174.286 176.600 -0.100 0.000 0.977 225 E CA -2.245 54.113 56.400 -0.070 0.000 0.827 225 E CB 0.986 30.627 29.700 -0.097 0.000 1.130 225 E HN 0.044 nan 8.360 nan 0.000 0.394 226 P HA -0.026 nan 4.420 nan 0.000 0.264 226 P C 0.370 177.578 177.300 -0.153 0.000 1.183 226 P CA 0.251 63.307 63.100 -0.073 0.000 0.763 226 P CB 0.541 32.251 31.700 0.017 0.000 0.807 227 A N 5.094 127.917 122.820 0.005 0.000 1.958 227 A HA -0.187 4.136 4.320 0.006 0.000 0.221 227 A C 1.895 179.502 177.584 0.037 0.000 1.178 227 A CA 1.725 53.776 52.037 0.023 0.000 0.642 227 A CB -1.565 17.482 19.000 0.077 0.000 0.816 227 A HN 0.872 nan 8.150 nan 0.000 0.453 228 W N 1.072 122.395 121.300 0.039 0.000 2.392 228 W HA -0.169 4.494 4.660 0.004 0.000 0.279 228 W C 1.505 178.082 176.519 0.097 0.000 1.225 228 W CA 1.809 59.191 57.345 0.061 0.000 1.233 228 W CB -1.580 27.927 29.460 0.078 0.000 1.122 228 W HN 0.489 nan 8.180 nan 0.000 0.561 229 T N -0.215 113.840 114.554 -0.833 0.000 3.072 229 T HA 0.013 4.366 4.350 0.006 0.000 0.266 229 T C 1.044 175.705 174.700 -0.064 0.000 1.127 229 T CA 0.276 61.910 62.100 -0.776 0.000 1.107 229 T CB -0.709 67.484 68.868 -1.125 0.000 0.910 229 T HN 0.081 nan 8.240 nan 0.000 0.513 230 I N 2.220 122.771 120.570 -0.032 0.000 2.668 230 I HA 0.343 4.516 4.170 0.006 0.000 0.285 230 I C 1.659 177.824 176.117 0.081 0.000 1.168 230 I CA 1.161 62.493 61.300 0.054 0.000 1.424 230 I CB 0.164 38.179 38.000 0.026 0.000 1.377 230 I HN 0.510 nan 8.210 nan 0.000 0.560 231 G N 3.995 112.868 108.800 0.122 0.000 2.199 231 G HA2 -0.188 3.775 3.960 0.006 0.000 0.254 231 G HA3 -0.188 3.775 3.960 0.006 0.000 0.254 231 G C 0.506 175.511 174.900 0.175 0.000 0.982 231 G CA -0.108 45.038 45.100 0.076 0.000 0.632 231 G HN 0.990 nan 8.290 nan 0.000 0.529 232 G N -0.759 108.183 108.800 0.235 0.000 2.543 232 G HA2 0.700 4.663 3.960 0.006 0.000 0.290 232 G HA3 0.700 4.663 3.960 0.006 0.000 0.290 232 G C -0.191 174.739 174.900 0.051 0.000 1.310 232 G CA 0.554 45.715 45.100 0.101 0.000 1.025 232 G HN 1.159 nan 8.290 nan 0.000 0.502 233 S N -1.768 113.639 115.700 -0.489 0.000 2.533 233 S HA 0.385 4.859 4.470 0.006 0.000 0.271 233 S C -1.567 172.763 174.600 -0.449 0.000 1.143 233 S CA -0.503 57.570 58.200 -0.212 0.000 0.891 233 S CB 1.318 64.531 63.200 0.022 0.000 1.105 233 S HN 0.451 nan 8.310 nan 0.000 0.468 234 Y N 2.071 122.355 120.300 -0.028 0.000 2.346 234 Y HA 0.380 4.933 4.550 0.005 0.000 0.330 234 Y C 0.843 176.790 175.900 0.078 0.000 1.178 234 Y CA 0.370 58.539 58.100 0.116 0.000 1.331 234 Y CB 0.633 39.206 38.460 0.187 0.000 1.253 234 Y HN 0.535 nan 8.280 nan 0.000 0.529 235 Q N 2.484 122.444 119.800 0.267 0.000 2.310 235 Q HA 0.708 5.052 4.340 0.006 0.000 0.270 235 Q C -1.705 174.390 176.000 0.158 0.000 1.025 235 Q CA -0.891 54.947 55.803 0.059 0.000 0.772 235 Q CB 1.438 30.241 28.738 0.107 0.000 1.253 235 Q HN 0.797 nan 8.270 nan 0.000 0.450 236 A N 3.490 126.309 122.820 -0.001 0.000 2.304 236 A HA 0.705 5.029 4.320 0.006 0.000 0.323 236 A C -1.059 176.533 177.584 0.014 0.000 1.195 236 A CA -0.467 51.594 52.037 0.040 0.000 0.826 236 A CB 1.415 20.233 19.000 -0.303 0.000 1.184 236 A HN 0.494 nan 8.150 nan 0.000 0.496 237 V N 3.998 124.003 119.914 0.152 0.000 2.531 237 V HA 0.596 4.719 4.120 0.006 0.000 0.301 237 V C -0.498 175.678 176.094 0.136 0.000 1.034 237 V CA -0.698 61.711 62.300 0.182 0.000 0.865 237 V CB 1.722 33.746 31.823 0.335 0.000 0.995 237 V HN 0.921 nan 8.190 nan 0.000 0.424 238 R N 4.411 125.026 120.500 0.193 0.000 2.532 238 R HA 0.519 4.862 4.340 0.006 0.000 0.297 238 R C -1.791 174.554 176.300 0.074 0.000 0.984 238 R CA -0.878 55.276 56.100 0.090 0.000 0.884 238 R CB 2.226 32.555 30.300 0.049 0.000 1.182 238 R HN 0.401 nan 8.270 nan 0.000 0.442 239 L N 4.873 126.060 121.223 -0.059 0.000 2.261 239 L HA 0.484 4.827 4.340 0.006 0.000 0.289 239 L C 0.115 176.972 176.870 -0.020 0.000 1.059 239 L CA -0.000 54.781 54.840 -0.098 0.000 0.816 239 L CB 0.578 42.460 42.059 -0.294 0.000 1.191 239 L HN 0.478 nan 8.230 nan 0.000 0.431 240 I N 3.464 124.079 120.570 0.075 0.000 2.411 240 I HA 0.299 4.473 4.170 0.006 0.000 0.284 240 I C 0.088 176.215 176.117 0.017 0.000 1.012 240 I CA -0.612 60.734 61.300 0.077 0.000 1.119 240 I CB 1.361 39.438 38.000 0.130 0.000 1.261 240 I HN 0.543 nan 8.210 nan 0.000 0.448 241 Q N 4.396 124.239 119.800 0.072 0.000 2.340 241 Q HA 0.411 4.755 4.340 0.006 0.000 0.249 241 Q C -1.287 174.803 176.000 0.151 0.000 0.957 241 Q CA -0.108 55.717 55.803 0.037 0.000 0.882 241 Q CB 1.387 30.185 28.738 0.100 0.000 1.235 241 Q HN 0.342 nan 8.270 nan 0.000 0.439 242 F N 0.799 120.730 119.950 -0.032 0.000 2.469 242 F HA 0.370 4.901 4.527 0.006 0.000 0.332 242 F C 0.323 176.149 175.800 0.045 0.000 1.103 242 F CA -1.180 56.798 58.000 -0.037 0.000 0.979 242 F CB 1.178 40.101 39.000 -0.128 0.000 1.137 242 F HN 0.303 nan 8.300 nan 0.000 0.463 243 R N 2.397 123.094 120.500 0.328 0.000 2.893 243 R HA 0.215 4.559 4.340 0.006 0.000 0.243 243 R C 1.051 177.585 176.300 0.390 0.000 1.481 243 R CA -0.095 56.210 56.100 0.343 0.000 1.250 243 R CB 0.087 30.639 30.300 0.421 0.000 1.213 243 R HN 0.642 nan 8.270 nan 0.000 0.609 244 V N -0.571 119.527 119.914 0.308 0.000 2.379 244 V HA -0.177 3.947 4.120 0.006 0.000 0.245 244 V C 1.469 177.759 176.094 0.326 0.000 1.044 244 V CA 1.202 63.687 62.300 0.308 0.000 1.036 244 V CB -0.223 31.739 31.823 0.232 0.000 0.664 244 V HN 0.388 nan 8.190 nan 0.000 0.453 245 E N 0.796 121.164 120.200 0.280 0.000 2.058 245 E HA -0.138 4.215 4.350 0.006 0.000 0.194 245 E C 1.864 178.664 176.600 0.334 0.000 0.997 245 E CA 1.757 58.306 56.400 0.249 0.000 0.801 245 E CB -0.574 29.240 29.700 0.190 0.000 0.746 245 E HN 0.615 nan 8.360 nan 0.000 0.450 246 F N 0.682 120.760 119.950 0.214 0.000 2.102 246 F HA -0.200 4.331 4.527 0.006 0.000 0.298 246 F C 1.990 178.014 175.800 0.373 0.000 1.105 246 F CA 1.281 59.434 58.000 0.256 0.000 1.239 246 F CB -0.673 38.469 39.000 0.236 0.000 0.991 246 F HN 0.198 nan 8.300 nan 0.000 0.474 247 W N 1.577 122.926 121.300 0.081 0.000 2.318 247 W HA -0.283 4.381 4.660 0.006 0.000 0.313 247 W C 1.557 178.010 176.519 -0.110 0.000 1.221 247 W CA 2.045 59.276 57.345 -0.189 0.000 1.266 247 W CB -0.497 28.872 29.460 -0.152 0.000 1.150 247 W HN 0.034 nan 8.180 nan 0.000 0.496 248 D N 0.080 120.554 120.400 0.124 0.000 2.350 248 D HA -0.095 4.549 4.640 0.006 0.000 0.216 248 D C 1.743 178.024 176.300 -0.033 0.000 0.968 248 D CA 1.031 55.041 54.000 0.016 0.000 0.894 248 D CB -0.270 40.599 40.800 0.116 0.000 0.909 248 D HN 0.140 nan 8.370 nan 0.000 0.520 249 R N -0.504 120.006 120.500 0.017 0.000 2.359 249 R HA 0.180 4.523 4.340 0.006 0.000 0.231 249 R C -0.003 176.268 176.300 -0.049 0.000 0.913 249 R CA 0.173 56.293 56.100 0.033 0.000 1.075 249 R CB 0.478 30.874 30.300 0.161 0.000 1.087 249 R HN -0.113 nan 8.270 nan 0.000 0.515 250 T N 2.102 116.522 114.554 -0.224 0.000 2.795 250 T HA 0.343 4.696 4.350 0.006 0.000 0.282 250 T C -2.486 172.011 174.700 -0.337 0.000 0.980 250 T CA -1.727 60.181 62.100 -0.320 0.000 1.012 250 T CB 1.714 70.226 68.868 -0.593 0.000 0.936 250 T HN -0.169 nan 8.240 nan 0.000 0.457 251 P HA -0.001 nan 4.420 nan 0.000 0.264 251 P C 0.890 178.049 177.300 -0.235 0.000 1.179 251 P CA -0.262 62.731 63.100 -0.179 0.000 0.763 251 P CB 0.441 32.072 31.700 -0.115 0.000 0.806 252 L N 4.888 126.005 121.223 -0.178 0.000 2.079 252 L HA -0.188 4.156 4.340 0.006 0.000 0.210 252 L C 2.154 178.968 176.870 -0.093 0.000 1.081 252 L CA 1.948 56.698 54.840 -0.149 0.000 0.752 252 L CB -0.883 41.115 42.059 -0.103 0.000 0.896 252 L HN 0.311 nan 8.230 nan 0.000 0.433 253 K N -0.377 119.976 120.400 -0.077 0.000 2.032 253 K HA -0.290 4.034 4.320 0.006 0.000 0.209 253 K C 2.188 178.757 176.600 -0.052 0.000 1.048 253 K CA 2.069 58.330 56.287 -0.044 0.000 0.927 253 K CB -0.304 32.173 32.500 -0.039 0.000 0.712 253 K HN 0.587 nan 8.250 nan 0.000 0.441 254 E N 0.244 120.382 120.200 -0.104 0.000 2.077 254 E HA -0.227 4.127 4.350 0.006 0.000 0.193 254 E C 2.111 178.602 176.600 -0.181 0.000 0.989 254 E CA 1.238 57.562 56.400 -0.127 0.000 0.800 254 E CB 0.083 29.693 29.700 -0.150 0.000 0.746 254 E HN 0.413 nan 8.360 nan 0.000 0.452 255 Q N 0.006 119.629 119.800 -0.295 0.000 2.061 255 Q HA -0.234 4.110 4.340 0.006 0.000 0.204 255 Q C 2.296 178.375 176.000 0.130 0.000 0.984 255 Q CA 1.779 57.405 55.803 -0.295 0.000 0.846 255 Q CB -0.077 28.439 28.738 -0.369 0.000 0.902 255 Q HN 0.421 nan 8.270 nan 0.000 0.421 256 Q N -0.538 119.384 119.800 0.204 0.000 2.119 256 Q HA -0.101 4.243 4.340 0.006 0.000 0.201 256 Q C 2.097 178.184 176.000 0.145 0.000 0.972 256 Q CA 1.511 57.490 55.803 0.292 0.000 0.847 256 Q CB 0.025 28.897 28.738 0.223 0.000 0.903 256 Q HN 0.340 nan 8.270 nan 0.000 0.433 257 T N 1.437 116.023 114.554 0.053 0.000 2.720 257 T HA -0.143 4.211 4.350 0.006 0.000 0.268 257 T C 1.869 176.560 174.700 -0.015 0.000 1.037 257 T CA 1.042 63.153 62.100 0.017 0.000 1.144 257 T CB -0.210 68.653 68.868 -0.008 0.000 0.864 257 T HN 0.187 nan 8.240 nan 0.000 0.444 258 I N -0.041 120.491 120.570 -0.063 0.000 2.163 258 I HA -0.163 4.010 4.170 0.006 0.000 0.243 258 I C 1.898 177.855 176.117 -0.265 0.000 1.085 258 I CA 1.547 62.745 61.300 -0.170 0.000 1.347 258 I CB -0.275 37.596 38.000 -0.214 0.000 1.044 258 I HN 0.167 nan 8.210 nan 0.000 0.408 259 F N 0.328 120.169 119.950 -0.181 0.000 2.512 259 F HA 0.142 4.673 4.527 0.006 0.000 0.296 259 F C 1.983 177.766 175.800 -0.028 0.000 1.110 259 F CA 0.954 58.832 58.000 -0.202 0.000 1.446 259 F CB -0.364 38.306 39.000 -0.550 0.000 1.092 259 F HN 0.197 nan 8.300 nan 0.000 0.554 260 G N 0.825 109.717 108.800 0.154 0.000 2.148 260 G HA2 -0.296 3.668 3.960 0.006 0.000 0.254 260 G HA3 -0.296 3.668 3.960 0.006 0.000 0.254 260 G C 0.364 175.370 174.900 0.178 0.000 0.981 260 G CA -0.035 45.150 45.100 0.141 0.000 0.670 260 G HN 0.373 nan 8.290 nan 0.000 0.528 261 R N -0.174 120.472 120.500 0.245 0.000 2.771 261 R HA 0.377 4.721 4.340 0.006 0.000 0.274 261 R C -1.017 175.442 176.300 0.265 0.000 0.987 261 R CA -0.933 55.309 56.100 0.237 0.000 0.908 261 R CB 1.365 31.817 30.300 0.254 0.000 1.213 261 R HN 0.225 nan 8.270 nan 0.000 0.468 262 D N 1.946 122.421 120.400 0.126 0.000 2.425 262 D HA -0.039 4.604 4.640 0.006 0.000 0.247 262 D C 0.525 176.791 176.300 -0.056 0.000 1.147 262 D CA 0.418 54.445 54.000 0.044 0.000 0.879 262 D CB 1.258 42.051 40.800 -0.011 0.000 1.179 262 D HN 0.447 nan 8.370 nan 0.000 0.456 263 K N 2.847 123.114 120.400 -0.222 0.000 2.026 263 K HA -0.188 4.136 4.320 0.006 0.000 0.208 263 K C 1.944 178.253 176.600 -0.484 0.000 1.048 263 K CA 1.339 57.178 56.287 -0.747 0.000 0.929 263 K CB 0.211 32.230 32.500 -0.800 0.000 0.713 263 K HN 0.527 nan 8.250 nan 0.000 0.439 264 Q N -0.746 118.890 119.800 -0.273 0.000 2.096 264 Q HA -0.089 4.254 4.340 0.006 0.000 0.197 264 Q C 2.069 177.979 176.000 -0.151 0.000 0.964 264 Q CA 1.828 57.514 55.803 -0.194 0.000 0.838 264 Q CB 0.046 28.705 28.738 -0.132 0.000 0.906 264 Q HN 0.496 nan 8.270 nan 0.000 0.444 265 T N -3.631 110.852 114.554 -0.119 0.000 3.051 265 T HA 0.248 4.601 4.350 0.006 0.000 0.255 265 T C 1.461 176.104 174.700 -0.094 0.000 1.085 265 T CA 0.656 62.704 62.100 -0.086 0.000 1.109 265 T CB 0.472 69.308 68.868 -0.054 0.000 0.921 265 T HN 0.459 nan 8.240 nan 0.000 0.488 266 G N 1.503 110.245 108.800 -0.097 0.000 2.148 266 G HA2 -0.051 3.913 3.960 0.006 0.000 0.254 266 G HA3 -0.051 3.913 3.960 0.006 0.000 0.254 266 G C 0.266 175.139 174.900 -0.044 0.000 0.981 266 G CA 0.020 45.078 45.100 -0.070 0.000 0.670 266 G HN 1.214 nan 8.290 nan 0.000 0.528 267 A N 0.525 123.326 122.820 -0.032 0.000 2.388 267 A HA 0.712 5.036 4.320 0.006 0.000 0.257 267 A C -1.572 176.024 177.584 0.020 0.000 1.095 267 A CA -1.018 51.009 52.037 -0.017 0.000 0.791 267 A CB 0.502 19.484 19.000 -0.031 0.000 1.029 267 A HN 0.161 nan 8.150 nan 0.000 0.489 268 P HA 0.153 nan 4.420 nan 0.000 0.268 268 P C -0.385 176.946 177.300 0.051 0.000 1.205 268 P CA 0.039 63.177 63.100 0.063 0.000 0.771 268 P CB 0.296 32.031 31.700 0.058 0.000 0.858 269 L N 2.057 123.324 121.223 0.074 0.000 2.514 269 L HA 0.103 4.447 4.340 0.006 0.000 0.280 269 L C 1.882 178.773 176.870 0.035 0.000 1.223 269 L CA 1.183 56.056 54.840 0.054 0.000 0.864 269 L CB -0.830 41.269 42.059 0.067 0.000 1.118 269 L HN 0.817 nan 8.230 nan 0.000 0.494 270 G N 2.067 110.876 108.800 0.014 0.000 2.253 270 G HA2 -0.259 3.704 3.960 0.006 0.000 0.251 270 G HA3 -0.259 3.704 3.960 0.006 0.000 0.251 270 G C 0.185 175.071 174.900 -0.023 0.000 0.998 270 G CA 0.276 45.376 45.100 -0.000 0.000 0.621 270 G HN 0.462 nan 8.290 nan 0.000 0.524 271 M N -0.779 118.803 119.600 -0.030 0.000 2.849 271 M HA 0.557 5.040 4.480 0.006 0.000 0.299 271 M C 1.111 177.346 176.300 -0.108 0.000 1.223 271 M CA -0.876 54.386 55.300 -0.063 0.000 0.856 271 M CB 1.120 33.692 32.600 -0.046 0.000 1.680 271 M HN -0.061 nan 8.290 nan 0.000 0.506 272 Q N -0.221 119.454 119.800 -0.207 0.000 2.387 272 Q HA 0.197 4.541 4.340 0.006 0.000 0.208 272 Q C -0.057 175.742 176.000 -0.335 0.000 0.935 272 Q CA 1.248 56.837 55.803 -0.355 0.000 0.891 272 Q CB 0.178 28.542 28.738 -0.624 0.000 1.007 272 Q HN 0.679 nan 8.270 nan 0.000 0.548 273 H N 0.130 119.200 119.070 -0.000 0.000 2.472 273 H HA 0.168 4.727 4.556 0.006 0.000 0.338 273 H C 0.775 176.089 175.328 -0.022 0.000 1.133 273 H CA -0.360 55.691 56.048 0.005 0.000 1.216 273 H CB 1.827 31.611 29.762 0.036 0.000 1.497 273 H HN 0.106 nan 8.280 nan 0.000 0.500 274 E N 1.402 121.635 120.200 0.056 0.000 2.164 274 E HA -0.319 4.035 4.350 0.006 0.000 0.206 274 E C 0.350 176.806 176.600 -0.239 0.000 1.032 274 E CA 1.868 58.178 56.400 -0.150 0.000 0.832 274 E CB 0.024 29.551 29.700 -0.288 0.000 0.742 274 E HN 0.747 nan 8.360 nan 0.000 0.460 275 H N -0.139 118.975 119.070 0.074 0.000 2.549 275 H HA 0.189 4.748 4.556 0.006 0.000 0.279 275 H C -0.454 174.906 175.328 0.053 0.000 1.018 275 H CA -0.162 55.916 56.048 0.050 0.000 1.175 275 H CB 0.253 30.032 29.762 0.027 0.000 1.485 275 H HN 0.062 nan 8.280 nan 0.000 0.543 276 D N 0.926 121.408 120.400 0.137 0.000 2.419 276 D HA 0.010 4.653 4.640 0.006 0.000 0.236 276 D C -0.037 176.285 176.300 0.036 0.000 1.165 276 D CA 0.316 54.369 54.000 0.089 0.000 0.882 276 D CB 1.295 42.126 40.800 0.052 0.000 1.201 276 D HN -0.042 nan 8.370 nan 0.000 0.443 277 V N 3.879 123.794 119.914 0.002 0.000 2.459 277 V HA 0.360 4.484 4.120 0.006 0.000 0.295 277 V C -1.961 174.056 176.094 -0.129 0.000 1.029 277 V CA -1.356 60.911 62.300 -0.055 0.000 0.874 277 V CB 1.605 33.400 31.823 -0.046 0.000 0.985 277 V HN 0.488 nan 8.190 nan 0.000 0.438 278 P HA 0.402 nan 4.420 nan 0.000 0.281 278 P C -1.162 175.861 177.300 -0.462 0.000 1.264 278 P CA -0.514 62.382 63.100 -0.340 0.000 0.824 278 P CB 0.791 32.250 31.700 -0.401 0.000 1.092 279 D N -0.214 120.012 120.400 -0.290 0.000 2.479 279 D HA 0.159 4.802 4.640 0.006 0.000 0.247 279 D C 0.165 176.421 176.300 -0.074 0.000 1.119 279 D CA -0.367 53.520 54.000 -0.188 0.000 0.922 279 D CB -0.208 40.544 40.800 -0.079 0.000 1.014 279 D HN 0.124 nan 8.370 nan 0.000 0.510 280 Y N 1.979 122.279 120.300 0.001 0.000 2.333 280 Y HA -0.035 4.519 4.550 0.006 0.000 0.290 280 Y C 2.401 178.299 175.900 -0.003 0.000 1.144 280 Y CA 0.890 58.989 58.100 -0.002 0.000 1.228 280 Y CB -0.742 37.715 38.460 -0.005 0.000 0.985 280 Y HN 0.518 nan 8.280 nan 0.000 0.542 281 A N -1.109 121.791 122.820 0.133 0.000 2.070 281 A HA -0.148 4.175 4.320 0.006 0.000 0.220 281 A C 2.427 180.043 177.584 0.053 0.000 1.159 281 A CA 1.819 53.901 52.037 0.075 0.000 0.656 281 A CB -0.724 18.303 19.000 0.045 0.000 0.800 281 A HN 0.354 nan 8.150 nan 0.000 0.453 282 S N -0.040 115.690 115.700 0.051 0.000 2.470 282 S HA -0.043 4.431 4.470 0.006 0.000 0.225 282 S C 0.586 175.212 174.600 0.042 0.000 1.006 282 S CA 0.822 59.043 58.200 0.035 0.000 0.934 282 S CB -0.047 63.166 63.200 0.022 0.000 0.778 282 S HN 0.858 nan 8.310 nan 0.000 0.517 283 D N 0.382 120.822 120.400 0.067 0.000 2.607 283 D HA 0.176 4.819 4.640 0.006 0.000 0.318 283 D C -2.382 173.948 176.300 0.051 0.000 1.212 283 D CA -1.574 52.461 54.000 0.059 0.000 0.861 283 D CB 0.798 41.638 40.800 0.065 0.000 1.064 283 D HN 0.120 nan 8.370 nan 0.000 0.500 284 P HA -0.089 nan 4.420 nan 0.000 0.222 284 P C 0.861 178.161 177.300 -0.001 0.000 1.147 284 P CA 0.857 63.967 63.100 0.017 0.000 0.790 284 P CB 0.509 32.217 31.700 0.014 0.000 0.780 285 E N -0.783 119.418 120.200 0.002 0.000 2.442 285 E HA 0.166 4.520 4.350 0.006 0.000 0.195 285 E C 0.953 177.546 176.600 -0.012 0.000 1.030 285 E CA 0.295 56.691 56.400 -0.007 0.000 0.869 285 E CB -0.427 29.272 29.700 -0.003 0.000 0.857 285 E HN 0.186 nan 8.360 nan 0.000 0.505 286 G N 2.561 111.358 108.800 -0.005 0.000 2.314 286 G HA2 -0.336 3.627 3.960 0.006 0.000 0.292 286 G HA3 -0.336 3.627 3.960 0.006 0.000 0.292 286 G C 0.580 175.481 174.900 0.003 0.000 1.059 286 G CA 0.681 45.777 45.100 -0.007 0.000 0.982 286 G HN 0.242 nan 8.290 nan 0.000 0.505 287 K N -1.049 119.358 120.400 0.011 0.000 2.148 287 K HA 0.083 4.406 4.320 0.006 0.000 0.204 287 K C 2.320 178.931 176.600 0.018 0.000 1.050 287 K CA 1.466 57.759 56.287 0.011 0.000 0.942 287 K CB 0.104 32.610 32.500 0.011 0.000 0.724 287 K HN 0.406 nan 8.250 nan 0.000 0.446 288 V N 1.204 121.136 119.914 0.031 0.000 2.436 288 V HA 0.054 4.178 4.120 0.006 0.000 0.240 288 V C 1.066 177.191 176.094 0.053 0.000 1.040 288 V CA 0.680 63.004 62.300 0.040 0.000 1.052 288 V CB 0.164 32.014 31.823 0.044 0.000 0.707 288 V HN 0.142 nan 8.190 nan 0.000 0.469 289 I N 1.007 121.620 120.570 0.072 0.000 2.382 289 I HA 0.546 4.720 4.170 0.006 0.000 0.285 289 I C 0.252 176.377 176.117 0.013 0.000 1.007 289 I CA -0.552 60.793 61.300 0.075 0.000 1.142 289 I CB 1.387 39.488 38.000 0.169 0.000 1.289 289 I HN 0.169 nan 8.210 nan 0.000 0.453 290 A N 6.388 129.204 122.820 -0.006 0.000 2.466 290 A HA 0.268 4.591 4.320 0.006 0.000 0.238 290 A C 1.139 178.674 177.584 -0.081 0.000 1.074 290 A CA -0.046 51.969 52.037 -0.036 0.000 0.774 290 A CB 0.350 19.332 19.000 -0.029 0.000 1.015 290 A HN 0.883 nan 8.150 nan 0.000 0.498 291 L N 0.373 121.544 121.223 -0.087 0.000 2.201 291 L HA -0.093 4.251 4.340 0.006 0.000 0.212 291 L C 1.283 178.081 176.870 -0.121 0.000 1.105 291 L CA 1.472 56.238 54.840 -0.123 0.000 0.775 291 L CB -0.431 41.570 42.059 -0.096 0.000 0.913 291 L HN 0.904 nan 8.230 nan 0.000 0.440 292 D N -1.134 119.212 120.400 -0.090 0.000 2.358 292 D HA -0.008 4.636 4.640 0.006 0.000 0.224 292 D C 0.778 177.026 176.300 -0.086 0.000 1.123 292 D CA -0.108 53.841 54.000 -0.085 0.000 0.833 292 D CB -0.238 40.524 40.800 -0.064 0.000 0.946 292 D HN 0.171 nan 8.370 nan 0.000 0.505 293 S N -1.040 114.609 115.700 -0.086 0.000 2.603 293 S HA 0.105 4.578 4.470 0.006 0.000 0.268 293 S C 1.130 175.696 174.600 -0.057 0.000 1.317 293 S CA -0.435 57.725 58.200 -0.065 0.000 1.012 293 S CB 1.502 64.685 63.200 -0.028 0.000 0.926 293 S HN 0.171 nan 8.310 nan 0.000 0.539 294 H N 1.255 120.234 119.070 -0.153 0.000 2.321 294 H HA -0.017 4.543 4.556 0.006 0.000 0.300 294 H C 1.704 177.011 175.328 -0.034 0.000 1.087 294 H CA 2.222 58.196 56.048 -0.124 0.000 1.319 294 H CB -0.202 29.462 29.762 -0.163 0.000 1.379 294 H HN 0.714 nan 8.280 nan 0.000 0.501 295 I N -0.320 120.292 120.570 0.069 0.000 2.226 295 I HA -0.266 3.908 4.170 0.006 0.000 0.245 295 I C 2.567 178.684 176.117 0.000 0.000 1.100 295 I CA 1.532 62.871 61.300 0.065 0.000 1.374 295 I CB -0.170 37.925 38.000 0.158 0.000 1.057 295 I HN 0.246 nan 8.210 nan 0.000 0.413 296 R N 0.354 120.804 120.500 -0.082 0.000 2.075 296 R HA -0.008 4.336 4.340 0.006 0.000 0.220 296 R C 2.376 178.517 176.300 -0.264 0.000 1.118 296 R CA 0.715 56.646 56.100 -0.282 0.000 0.986 296 R CB -0.127 29.891 30.300 -0.469 0.000 0.884 296 R HN 0.346 nan 8.270 nan 0.000 0.439 297 L N 0.599 121.694 121.223 -0.213 0.000 2.127 297 L HA -0.160 4.183 4.340 0.006 0.000 0.211 297 L C 2.487 179.243 176.870 -0.190 0.000 1.089 297 L CA 1.374 56.099 54.840 -0.191 0.000 0.757 297 L CB -0.437 41.517 42.059 -0.175 0.000 0.899 297 L HN 0.372 nan 8.230 nan 0.000 0.434 298 A N -0.676 122.013 122.820 -0.218 0.000 1.898 298 A HA -0.086 4.238 4.320 0.006 0.000 0.216 298 A C 0.904 178.423 177.584 -0.108 0.000 1.181 298 A CA 1.016 52.930 52.037 -0.206 0.000 0.620 298 A CB -0.163 18.675 19.000 -0.271 0.000 0.819 298 A HN 0.421 nan 8.150 nan 0.000 0.442 299 N N 0.523 119.190 118.700 -0.054 0.000 2.483 299 N HA 0.433 5.177 4.740 0.006 0.000 0.267 299 N C -3.081 172.467 175.510 0.063 0.000 0.998 299 N CA -0.903 52.164 53.050 0.030 0.000 0.918 299 N CB 2.172 40.722 38.487 0.106 0.000 1.215 299 N HN 0.231 nan 8.380 nan 0.000 0.500 306 E N 1.123 121.341 120.200 0.030 0.000 3.651 306 E HA 0.283 4.637 4.350 0.006 0.000 0.355 306 E C 1.339 177.969 176.600 0.050 0.000 0.603 306 E CA 0.758 57.178 56.400 0.034 0.000 1.746 306 E CB -1.254 28.463 29.700 0.028 0.000 2.323 306 E HN 0.565 nan 8.360 nan 0.000 0.497 307 S N 0.343 116.079 115.700 0.059 0.000 2.607 307 S HA -0.014 4.459 4.470 0.006 0.000 0.224 307 S C 1.564 176.206 174.600 0.071 0.000 0.969 307 S CA 0.610 58.872 58.200 0.103 0.000 0.927 307 S CB -0.564 62.699 63.200 0.106 0.000 0.772 307 S HN 0.428 nan 8.310 nan 0.000 0.533 308 S N 0.179 115.898 115.700 0.032 0.000 2.577 308 S HA 0.339 4.812 4.470 0.006 0.000 0.219 308 S C 0.262 174.872 174.600 0.017 0.000 0.962 308 S CA -0.640 57.561 58.200 0.001 0.000 0.921 308 S CB -0.518 62.670 63.200 -0.021 0.000 0.789 308 S HN 0.336 nan 8.310 nan 0.000 0.497 309 L N 3.116 124.365 121.223 0.042 0.000 2.467 309 L HA 0.486 4.829 4.340 0.006 0.000 0.270 309 L C 0.039 176.939 176.870 0.050 0.000 1.205 309 L CA 0.634 55.502 54.840 0.048 0.000 0.828 309 L CB 0.866 42.956 42.059 0.052 0.000 1.101 309 L HN 0.609 nan 8.230 nan 0.000 0.479 310 M N 2.775 122.406 119.600 0.052 0.000 2.603 310 M HA 0.396 4.879 4.480 0.006 0.000 0.275 310 M C -1.966 174.357 176.300 0.039 0.000 1.226 310 M CA -1.020 54.310 55.300 0.050 0.000 0.870 310 M CB 1.629 34.279 32.600 0.083 0.000 1.716 310 M HN 0.300 nan 8.290 nan 0.000 0.482 311 L N 2.469 123.705 121.223 0.022 0.000 2.257 311 L HA 0.561 4.905 4.340 0.006 0.000 0.290 311 L C -0.619 176.255 176.870 0.006 0.000 1.044 311 L CA 0.189 55.036 54.840 0.011 0.000 0.810 311 L CB 0.848 42.894 42.059 -0.020 0.000 1.193 311 L HN 0.717 nan 8.230 nan 0.000 0.425 312 R N 4.248 124.735 120.500 -0.022 0.000 2.404 312 R HA 0.529 4.873 4.340 0.006 0.000 0.291 312 R C -0.155 176.088 176.300 -0.095 0.000 1.025 312 R CA -0.470 55.555 56.100 -0.126 0.000 0.991 312 R CB 1.018 31.275 30.300 -0.071 0.000 1.053 312 R HN 0.522 nan 8.270 nan 0.000 0.479 313 R N 1.521 121.931 120.500 -0.150 0.000 2.593 313 R HA 0.191 4.534 4.340 0.006 0.000 0.258 313 R C -0.714 175.542 176.300 -0.074 0.000 1.410 313 R CA -0.193 55.871 56.100 -0.060 0.000 1.537 313 R CB 0.860 31.222 30.300 0.103 0.000 1.362 313 R HN 0.853 nan 8.270 nan 0.000 0.734 314 G N 0.321 109.029 108.800 -0.152 0.000 2.476 314 G HA2 0.328 4.292 3.960 0.006 0.000 0.286 314 G HA3 0.328 4.292 3.960 0.006 0.000 0.286 314 G C -1.215 173.592 174.900 -0.155 0.000 1.177 314 G CA -0.045 45.017 45.100 -0.063 0.000 0.870 314 G HN 0.215 nan 8.290 nan 0.000 0.528 315 Y N -0.542 119.728 120.300 -0.050 0.000 2.512 315 Y HA 0.433 4.987 4.550 0.006 0.000 0.348 315 Y C 0.732 176.521 175.900 -0.185 0.000 0.990 315 Y CA -0.550 57.483 58.100 -0.112 0.000 1.033 315 Y CB 2.334 40.750 38.460 -0.072 0.000 1.259 315 Y HN 0.515 nan 8.280 nan 0.000 0.461 316 S N 2.053 117.567 115.700 -0.309 0.000 2.593 316 S HA 0.314 4.788 4.470 0.006 0.000 0.269 316 S C -1.172 173.191 174.600 -0.396 0.000 1.334 316 S CA -0.293 57.589 58.200 -0.529 0.000 1.015 316 S CB 0.182 62.769 63.200 -1.022 0.000 0.912 316 S HN 0.536 nan 8.310 nan 0.000 0.541 317 Y N -1.072 119.073 120.300 -0.258 0.000 2.562 317 Y HA 0.771 5.325 4.550 0.006 0.000 0.345 317 Y C -0.699 175.254 175.900 0.089 0.000 1.045 317 Y CA -1.040 57.053 58.100 -0.011 0.000 1.028 317 Y CB 1.358 39.804 38.460 -0.024 0.000 1.297 317 Y HN 0.475 nan 8.280 nan 0.000 0.463 318 S N 3.934 119.817 115.700 0.304 0.000 2.668 318 S HA 0.686 5.159 4.470 0.006 0.000 0.277 318 S C -1.257 173.482 174.600 0.231 0.000 1.170 318 S CA -0.566 57.734 58.200 0.168 0.000 0.994 318 S CB 0.334 63.647 63.200 0.188 0.000 1.051 318 S HN 0.872 nan 8.310 nan 0.000 0.484 319 L N 3.614 124.964 121.223 0.212 0.000 2.692 319 L HA 0.716 5.060 4.340 0.006 0.000 0.213 319 L C 1.664 178.598 176.870 0.108 0.000 1.546 319 L CA -0.339 54.605 54.840 0.173 0.000 2.855 319 L CB -0.645 41.531 42.059 0.194 0.000 2.652 319 L HN 0.690 nan 8.230 nan 0.000 0.901 320 G N -0.208 108.648 108.800 0.094 0.000 3.345 320 G HA2 0.495 4.458 3.960 0.006 0.000 0.202 320 G HA3 0.495 4.458 3.960 0.006 0.000 0.202 320 G C -0.673 174.266 174.900 0.065 0.000 1.740 320 G CA 0.479 45.620 45.100 0.067 0.000 0.806 320 G HN 0.302 nan 8.290 nan 0.000 0.718 321 V N -1.160 118.788 119.914 0.056 0.000 2.914 321 V HA 0.757 4.881 4.120 0.006 0.000 0.314 321 V C 0.243 176.367 176.094 0.050 0.000 1.084 321 V CA -0.088 62.243 62.300 0.052 0.000 0.963 321 V CB 1.048 32.895 31.823 0.041 0.000 1.025 321 V HN 0.979 nan 8.190 nan 0.000 0.432 322 T N 0.136 114.720 114.554 0.051 0.000 2.754 322 T HA 0.254 4.608 4.350 0.006 0.000 0.286 322 T C 0.873 175.591 174.700 0.031 0.000 0.997 322 T CA 0.012 62.138 62.100 0.043 0.000 0.982 322 T CB 0.391 69.287 68.868 0.047 0.000 1.027 322 T HN 0.692 nan 8.240 nan 0.000 0.529 323 N N 0.569 119.283 118.700 0.023 0.000 2.289 323 N HA -0.070 4.674 4.740 0.006 0.000 0.184 323 N C 1.886 177.405 175.510 0.015 0.000 1.016 323 N CA 1.025 54.084 53.050 0.016 0.000 0.872 323 N CB -0.634 37.859 38.487 0.010 0.000 0.973 323 N HN 0.632 nan 8.380 nan 0.000 0.433 324 S N -0.755 114.955 115.700 0.017 0.000 2.555 324 S HA 0.148 4.621 4.470 0.006 0.000 0.230 324 S C 1.428 176.039 174.600 0.018 0.000 0.978 324 S CA 0.658 58.866 58.200 0.014 0.000 0.934 324 S CB 0.011 63.218 63.200 0.012 0.000 0.766 324 S HN 0.588 nan 8.310 nan 0.000 0.533 325 G N 0.913 109.728 108.800 0.025 0.000 2.141 325 G HA2 -0.187 3.776 3.960 0.006 0.000 0.242 325 G HA3 -0.187 3.776 3.960 0.006 0.000 0.242 325 G C -0.147 174.776 174.900 0.038 0.000 0.982 325 G CA -0.291 44.826 45.100 0.028 0.000 0.662 325 G HN 0.388 nan 8.290 nan 0.000 0.527 326 Q N -0.441 119.387 119.800 0.046 0.000 2.193 326 Q HA 0.609 4.952 4.340 0.006 0.000 0.246 326 Q C 1.081 177.122 176.000 0.067 0.000 0.959 326 Q CA -0.802 55.038 55.803 0.062 0.000 0.904 326 Q CB 1.051 29.832 28.738 0.073 0.000 1.238 326 Q HN 0.408 nan 8.270 nan 0.000 0.469 327 L N 1.569 122.838 121.223 0.077 0.000 2.540 327 L HA -0.030 4.313 4.340 0.006 0.000 0.276 327 L C 0.522 177.432 176.870 0.067 0.000 1.212 327 L CA 0.054 54.937 54.840 0.072 0.000 0.893 327 L CB -0.047 42.058 42.059 0.077 0.000 1.138 327 L HN 0.439 nan 8.230 nan 0.000 0.491 328 D N 6.584 127.023 120.400 0.066 0.000 2.411 328 D HA 0.447 5.090 4.640 0.006 0.000 0.225 328 D C -0.515 175.791 176.300 0.010 0.000 1.156 328 D CA -0.153 53.895 54.000 0.080 0.000 0.874 328 D CB 0.399 41.275 40.800 0.127 0.000 1.034 328 D HN 0.412 nan 8.370 nan 0.000 0.502 329 M N 1.385 120.884 119.600 -0.169 0.000 2.644 329 M HA 0.815 5.299 4.480 0.006 0.000 0.273 329 M C -0.362 175.379 176.300 -0.931 0.000 1.253 329 M CA -0.924 54.032 55.300 -0.574 0.000 0.852 329 M CB 2.168 34.610 32.600 -0.263 0.000 1.708 329 M HN 0.238 nan 8.290 nan 0.000 0.471 330 G N 0.671 108.546 108.800 -1.542 0.000 2.498 330 G HA2 0.482 4.446 3.960 0.006 0.000 0.181 330 G HA3 0.482 4.446 3.960 0.006 0.000 0.181 330 G C -2.722 171.415 174.900 -1.271 0.000 1.169 330 G CA -0.621 43.396 45.100 -1.805 0.000 0.992 330 G HN 0.820 nan 8.290 nan 0.000 0.490 331 L N 0.530 121.328 121.223 -0.708 0.000 2.385 331 L HA 0.745 5.088 4.340 0.006 0.000 0.273 331 L C -0.815 176.166 176.870 0.185 0.000 0.990 331 L CA -0.676 54.088 54.840 -0.126 0.000 0.821 331 L CB 1.742 43.839 42.059 0.063 0.000 1.279 331 L HN 0.461 nan 8.230 nan 0.000 0.412 332 L N 5.786 127.140 121.223 0.218 0.000 2.302 332 L HA 0.301 4.644 4.340 0.006 0.000 0.285 332 L C -0.598 176.391 176.870 0.199 0.000 1.090 332 L CA -0.237 54.710 54.840 0.178 0.000 0.866 332 L CB 0.081 42.225 42.059 0.141 0.000 1.244 332 L HN 0.534 nan 8.230 nan 0.000 0.435 333 F N 4.709 124.698 119.950 0.066 0.000 2.438 333 F HA 0.491 5.021 4.527 0.005 0.000 0.356 333 F C -0.272 175.540 175.800 0.020 0.000 1.099 333 F CA -0.264 57.771 58.000 0.059 0.000 1.185 333 F CB 0.887 39.928 39.000 0.069 0.000 1.115 333 F HN 0.022 nan 8.300 nan 0.000 0.526 334 V N 5.978 125.518 119.914 -0.623 0.000 2.686 334 V HA 0.450 4.573 4.120 0.006 0.000 0.306 334 V C -0.706 174.905 176.094 -0.804 0.000 1.065 334 V CA -0.837 61.149 62.300 -0.523 0.000 0.894 334 V CB 1.349 33.021 31.823 -0.251 0.000 1.004 334 V HN 1.106 nan 8.190 nan 0.000 0.424 335 C N 2.911 121.800 119.300 -0.686 0.000 2.898 335 C HA 0.909 5.373 4.460 0.006 0.000 0.304 335 C C -1.369 173.328 174.990 -0.489 0.000 1.237 335 C CA -0.932 57.801 59.018 -0.475 0.000 1.529 335 C CB 1.172 28.787 27.740 -0.208 0.000 2.021 335 C HN 0.743 nan 8.230 nan 0.000 0.474 336 Y N 2.090 122.348 120.300 -0.070 0.000 2.446 336 Y HA 0.744 5.298 4.550 0.005 0.000 0.345 336 Y C 0.159 176.019 175.900 -0.067 0.000 0.984 336 Y CA -0.090 57.968 58.100 -0.071 0.000 1.058 336 Y CB 1.735 40.100 38.460 -0.158 0.000 1.220 336 Y HN 0.911 nan 8.280 nan 0.000 0.455 337 Q N 1.911 121.786 119.800 0.126 0.000 2.578 337 Q HA 0.184 4.527 4.340 0.006 0.000 0.284 337 Q C -0.261 175.815 176.000 0.128 0.000 0.960 337 Q CA -0.791 55.047 55.803 0.060 0.000 0.809 337 Q CB 1.158 29.887 28.738 -0.014 0.000 1.462 337 Q HN 0.988 nan 8.270 nan 0.000 0.392 338 H N 0.213 119.363 119.070 0.134 0.000 2.457 338 H HA 0.087 4.646 4.556 0.005 0.000 0.294 338 H C -0.611 174.911 175.328 0.323 0.000 1.064 338 H CA 1.269 57.452 56.048 0.226 0.000 1.330 338 H CB 0.678 30.529 29.762 0.149 0.000 1.395 338 H HN 0.607 nan 8.280 nan 0.000 0.541 339 D N 0.370 120.552 120.400 -0.363 0.000 2.602 339 D HA 0.056 4.699 4.640 0.006 0.000 0.245 339 D C 0.688 176.685 176.300 -0.506 0.000 1.325 339 D CA -0.529 53.226 54.000 -0.408 0.000 0.952 339 D CB 1.990 42.592 40.800 -0.331 0.000 1.317 339 D HN 0.141 nan 8.370 nan 0.000 0.577 340 L N 4.536 125.255 121.223 -0.840 0.000 2.079 340 L HA -0.066 4.278 4.340 0.006 0.000 0.210 340 L C 1.990 178.665 176.870 -0.325 0.000 1.081 340 L CA 1.999 56.532 54.840 -0.511 0.000 0.752 340 L CB -0.336 41.376 42.059 -0.577 0.000 0.896 340 L HN 0.600 nan 8.230 nan 0.000 0.433 341 E N -0.558 119.444 120.200 -0.330 0.000 2.051 341 E HA -0.259 4.094 4.350 0.006 0.000 0.192 341 E C 2.098 178.608 176.600 -0.150 0.000 0.991 341 E CA 1.416 57.701 56.400 -0.191 0.000 0.799 341 E CB -0.019 29.588 29.700 -0.155 0.000 0.748 341 E HN 0.516 nan 8.360 nan 0.000 0.449 342 K N -0.516 119.779 120.400 -0.175 0.000 2.217 342 K HA -0.026 4.298 4.320 0.006 0.000 0.202 342 K C 1.656 178.184 176.600 -0.119 0.000 1.051 342 K CA 0.786 56.994 56.287 -0.131 0.000 0.952 342 K CB 0.169 32.595 32.500 -0.123 0.000 0.736 342 K HN 0.143 nan 8.250 nan 0.000 0.453 343 G N 0.676 109.393 108.800 -0.139 0.000 2.722 343 G HA2 -0.138 3.826 3.960 0.006 0.000 0.201 343 G HA3 -0.138 3.826 3.960 0.006 0.000 0.201 343 G C 0.955 175.843 174.900 -0.020 0.000 1.926 343 G CA -0.146 44.918 45.100 -0.061 0.000 0.872 343 G HN 0.129 nan 8.290 nan 0.000 0.581 344 F N 1.359 121.259 119.950 -0.084 0.000 2.091 344 F HA -0.057 4.473 4.527 0.005 0.000 0.299 344 F C 2.594 178.354 175.800 -0.066 0.000 1.103 344 F CA 1.531 59.501 58.000 -0.050 0.000 1.228 344 F CB -0.269 38.727 39.000 -0.008 0.000 0.984 344 F HN 0.023 nan 8.300 nan 0.000 0.477 345 L N -0.881 120.305 121.223 -0.062 0.000 2.083 345 L HA -0.246 4.098 4.340 0.006 0.000 0.209 345 L C 2.327 179.123 176.870 -0.124 0.000 1.083 345 L CA 1.779 56.594 54.840 -0.042 0.000 0.752 345 L CB -1.341 40.724 42.059 0.011 0.000 0.899 345 L HN 0.153 nan 8.230 nan 0.000 0.433 346 T N -0.400 114.073 114.554 -0.135 0.000 2.737 346 T HA -0.126 4.228 4.350 0.006 0.000 0.265 346 T C 2.020 176.608 174.700 -0.187 0.000 1.038 346 T CA 1.385 63.411 62.100 -0.124 0.000 1.144 346 T CB -0.147 68.666 68.868 -0.092 0.000 0.866 346 T HN 0.062 nan 8.240 nan 0.000 0.434 347 V N 1.462 121.226 119.914 -0.251 0.000 2.307 347 V HA -0.146 3.978 4.120 0.006 0.000 0.245 347 V C 2.601 178.432 176.094 -0.439 0.000 1.045 347 V CA 1.633 63.758 62.300 -0.290 0.000 1.024 347 V CB -0.718 30.971 31.823 -0.223 0.000 0.651 347 V HN 0.333 nan 8.190 nan 0.000 0.449 348 Q N 0.763 120.111 119.800 -0.754 0.000 2.170 348 Q HA -0.211 4.132 4.340 0.006 0.000 0.203 348 Q C 2.148 177.815 176.000 -0.555 0.000 0.976 348 Q CA 1.953 57.204 55.803 -0.921 0.000 0.858 348 Q CB -0.422 27.257 28.738 -1.766 0.000 0.907 348 Q HN 0.629 nan 8.270 nan 0.000 0.433 349 K N -0.301 119.916 120.400 -0.306 0.000 2.026 349 K HA -0.141 4.183 4.320 0.006 0.000 0.208 349 K C 2.046 178.574 176.600 -0.121 0.000 1.048 349 K CA 1.353 57.587 56.287 -0.089 0.000 0.929 349 K CB -0.056 32.437 32.500 -0.013 0.000 0.713 349 K HN 0.135 nan 8.250 nan 0.000 0.439 350 R N 0.223 120.628 120.500 -0.157 0.000 2.139 350 R HA -0.122 4.222 4.340 0.006 0.000 0.243 350 R C 2.074 178.278 176.300 -0.160 0.000 1.145 350 R CA 1.309 57.323 56.100 -0.144 0.000 0.976 350 R CB -0.257 29.951 30.300 -0.154 0.000 0.866 350 R HN 0.270 nan 8.270 nan 0.000 0.449 351 L N 0.822 121.919 121.223 -0.210 0.000 2.558 351 L HA 0.020 4.363 4.340 0.006 0.000 0.225 351 L C 0.550 177.332 176.870 -0.146 0.000 1.128 351 L CA -0.401 54.319 54.840 -0.200 0.000 0.868 351 L CB -0.357 41.547 42.059 -0.258 0.000 1.006 351 L HN 0.106 nan 8.230 nan 0.000 0.454 352 N N 1.410 120.040 118.700 -0.117 0.000 2.359 352 N HA 0.033 4.776 4.740 0.006 0.000 0.261 352 N C 1.098 176.577 175.510 -0.052 0.000 1.267 352 N CA 1.295 54.310 53.050 -0.058 0.000 0.864 352 N CB 0.620 39.101 38.487 -0.009 0.000 1.063 352 N HN 0.296 nan 8.380 nan 0.000 0.474 353 G N 2.027 110.803 108.800 -0.041 0.000 2.143 353 G HA2 -0.293 3.670 3.960 0.006 0.000 0.249 353 G HA3 -0.293 3.670 3.960 0.006 0.000 0.249 353 G C 0.012 174.883 174.900 -0.048 0.000 0.981 353 G CA 0.493 45.571 45.100 -0.037 0.000 0.665 353 G HN 0.943 nan 8.290 nan 0.000 0.528 354 E N -0.243 119.921 120.200 -0.061 0.000 2.422 354 E HA 0.572 4.925 4.350 0.006 0.000 0.260 354 E C 1.638 178.204 176.600 -0.056 0.000 1.108 354 E CA 0.075 56.436 56.400 -0.066 0.000 0.943 354 E CB 0.777 30.437 29.700 -0.068 0.000 0.961 354 E HN 0.735 nan 8.360 nan 0.000 0.443 355 A N 2.769 125.554 122.820 -0.059 0.000 2.019 355 A HA -0.172 4.151 4.320 0.006 0.000 0.219 355 A C 1.958 179.534 177.584 -0.012 0.000 1.164 355 A CA 1.174 53.192 52.037 -0.031 0.000 0.644 355 A CB -0.566 18.415 19.000 -0.032 0.000 0.805 355 A HN 0.665 nan 8.150 nan 0.000 0.449 356 L N 0.220 121.381 121.223 -0.102 0.000 2.275 356 L HA -0.101 4.243 4.340 0.006 0.000 0.215 356 L C 1.938 178.776 176.870 -0.053 0.000 1.119 356 L CA 1.809 56.554 54.840 -0.158 0.000 0.790 356 L CB -0.522 41.276 42.059 -0.436 0.000 0.919 356 L HN 0.496 nan 8.230 nan 0.000 0.443 357 E N -0.501 119.672 120.200 -0.045 0.000 2.209 357 E HA -0.305 4.048 4.350 0.006 0.000 0.196 357 E C 1.845 178.433 176.600 -0.020 0.000 0.993 357 E CA 1.171 57.553 56.400 -0.029 0.000 0.819 357 E CB -0.076 29.608 29.700 -0.028 0.000 0.745 357 E HN 0.649 nan 8.360 nan 0.000 0.477 358 E N -0.247 119.932 120.200 -0.035 0.000 2.265 358 E HA -0.178 4.176 4.350 0.006 0.000 0.196 358 E C 0.707 177.141 176.600 -0.277 0.000 0.996 358 E CA 0.896 57.196 56.400 -0.166 0.000 0.832 358 E CB 0.168 29.700 29.700 -0.280 0.000 0.756 358 E HN 0.370 nan 8.360 nan 0.000 0.491 359 Y N -1.029 119.280 120.300 0.015 0.000 2.500 359 Y HA 0.173 4.727 4.550 0.006 0.000 0.246 359 Y C 0.188 176.068 175.900 -0.033 0.000 1.146 359 Y CA -0.425 57.679 58.100 0.007 0.000 1.230 359 Y CB 1.357 39.757 38.460 -0.099 0.000 1.214 359 Y HN -0.071 nan 8.280 nan 0.000 0.526 360 V N -1.506 118.459 119.914 0.085 0.000 2.914 360 V HA 0.683 4.806 4.120 0.006 0.000 0.314 360 V C -0.883 175.272 176.094 0.101 0.000 1.084 360 V CA -1.347 61.027 62.300 0.123 0.000 0.963 360 V CB 2.466 34.328 31.823 0.064 0.000 1.025 360 V HN 0.039 nan 8.190 nan 0.000 0.432 361 K N 3.304 123.778 120.400 0.123 0.000 2.716 361 K HA 0.568 4.891 4.320 0.006 0.000 0.249 361 K C -3.110 173.528 176.600 0.063 0.000 1.004 361 K CA -1.506 54.826 56.287 0.076 0.000 0.968 361 K CB 2.425 34.965 32.500 0.068 0.000 1.214 361 K HN 0.596 nan 8.250 nan 0.000 0.476 362 P HA 0.148 nan 4.420 nan 0.000 0.276 362 P C 0.014 177.311 177.300 -0.005 0.000 1.235 362 P CA -0.271 62.846 63.100 0.028 0.000 0.772 362 P CB 0.519 32.246 31.700 0.045 0.000 0.871 363 I N 0.182 120.719 120.570 -0.055 0.000 4.338 363 I HA 0.578 4.751 4.170 0.006 0.000 0.329 363 I C 0.517 176.517 176.117 -0.195 0.000 1.378 363 I CA -0.148 61.093 61.300 -0.098 0.000 1.170 363 I CB 0.745 38.693 38.000 -0.086 0.000 1.206 363 I HN 0.375 nan 8.210 nan 0.000 0.432 364 G N -0.035 108.619 108.800 -0.243 0.000 2.427 364 G HA2 0.564 4.527 3.960 0.006 0.000 0.306 364 G HA3 0.564 4.527 3.960 0.006 0.000 0.306 364 G C -0.399 174.257 174.900 -0.406 0.000 1.280 364 G CA 0.006 44.855 45.100 -0.419 0.000 0.837 364 G HN 0.765 nan 8.290 nan 0.000 0.482 365 G N -1.803 106.638 108.800 -0.597 0.000 2.418 365 G HA2 0.605 4.568 3.960 0.006 0.000 0.206 365 G HA3 0.605 4.568 3.960 0.006 0.000 0.206 365 G C 0.648 175.523 174.900 -0.041 0.000 1.202 365 G CA 1.076 46.034 45.100 -0.236 0.000 1.061 365 G HN 2.935 nan 8.290 nan 0.000 0.563 366 G N -2.728 106.094 108.800 0.038 0.000 2.341 366 G HA2 0.598 4.562 3.960 0.006 0.000 0.293 366 G HA3 0.598 4.562 3.960 0.006 0.000 0.293 366 G C -1.719 173.069 174.900 -0.187 0.000 1.298 366 G CA 0.079 45.067 45.100 -0.186 0.000 0.868 366 G HN 1.466 nan 8.290 nan 0.000 0.540 367 Y N -0.658 119.456 120.300 -0.310 0.000 2.387 367 Y HA 0.872 5.426 4.550 0.006 0.000 0.336 367 Y C 0.015 175.601 175.900 -0.524 0.000 1.067 367 Y CA -1.646 56.334 58.100 -0.201 0.000 1.114 367 Y CB 1.585 40.056 38.460 0.019 0.000 1.208 367 Y HN 0.500 nan 8.280 nan 0.000 0.458 368 F N 1.180 121.405 119.950 0.457 0.000 2.662 368 F HA 0.481 5.012 4.527 0.006 0.000 0.312 368 F C -1.318 174.735 175.800 0.421 0.000 1.113 368 F CA -1.316 56.929 58.000 0.409 0.000 0.951 368 F CB 1.668 40.847 39.000 0.299 0.000 1.344 368 F HN 0.251 nan 8.300 nan 0.000 0.462 369 F N 1.954 122.180 119.950 0.461 0.000 2.402 369 F HA 0.751 5.283 4.527 0.007 0.000 0.355 369 F C -0.091 175.893 175.800 0.307 0.000 1.123 369 F CA -0.979 57.176 58.000 0.259 0.000 1.021 369 F CB 0.758 39.839 39.000 0.135 0.000 1.160 369 F HN 0.546 nan 8.300 nan 0.000 0.451 370 A N 7.637 130.287 122.820 -0.283 0.000 2.396 370 A HA 0.421 4.744 4.320 0.006 0.000 0.279 370 A C -0.100 177.380 177.584 -0.173 0.000 1.165 370 A CA -0.470 51.508 52.037 -0.100 0.000 0.824 370 A CB -0.280 18.737 19.000 0.028 0.000 1.100 370 A HN 0.864 nan 8.150 nan 0.000 0.516 371 L N 4.175 125.488 121.223 0.150 0.000 2.482 371 L HA 0.160 4.504 4.340 0.006 0.000 0.273 371 L C -1.512 175.508 176.870 0.250 0.000 1.228 371 L CA -1.353 53.697 54.840 0.349 0.000 0.827 371 L CB 0.007 42.270 42.059 0.342 0.000 1.099 371 L HN 0.518 nan 8.230 nan 0.000 0.494 372 P HA 0.000 nan 4.420 nan 0.000 0.270 372 P C -0.106 177.246 177.300 0.086 0.000 1.227 372 P CA -0.269 62.923 63.100 0.154 0.000 0.788 372 P CB 0.278 32.067 31.700 0.148 0.000 0.926 373 G N -0.057 108.714 108.800 -0.048 0.000 2.664 373 G HA2 0.304 4.268 3.960 0.006 0.000 0.242 373 G HA3 0.304 4.268 3.960 0.006 0.000 0.242 373 G C -0.508 174.278 174.900 -0.190 0.000 1.225 373 G CA -0.478 44.538 45.100 -0.139 0.000 0.849 373 G HN 0.353 nan 8.290 nan 0.000 0.581 374 V N 1.488 121.198 119.914 -0.340 0.000 2.348 374 V HA 0.152 4.275 4.120 0.006 0.000 0.270 374 V C 1.323 177.351 176.094 -0.111 0.000 1.037 374 V CA -0.372 61.751 62.300 -0.295 0.000 0.872 374 V CB 0.971 32.504 31.823 -0.484 0.000 1.002 374 V HN 1.012 nan 8.190 nan 0.000 0.464 375 K N 3.066 123.409 120.400 -0.095 0.000 2.155 375 K HA 0.034 4.358 4.320 0.006 0.000 0.203 375 K C 0.164 176.706 176.600 -0.097 0.000 1.052 375 K CA 1.153 57.385 56.287 -0.092 0.000 0.948 375 K CB 0.170 32.598 32.500 -0.120 0.000 0.728 375 K HN 0.801 nan 8.250 nan 0.000 0.448 376 D N -2.534 117.779 120.400 -0.145 0.000 2.713 376 D HA 0.269 4.913 4.640 0.006 0.000 0.306 376 D C 0.235 176.233 176.300 -0.503 0.000 1.299 376 D CA -0.287 53.414 54.000 -0.499 0.000 0.823 376 D CB 0.603 41.199 40.800 -0.341 0.000 1.353 376 D HN -0.083 nan 8.370 nan 0.000 0.447 377 A N -0.167 122.218 122.820 -0.725 0.000 2.084 377 A HA -0.226 4.098 4.320 0.006 0.000 0.221 377 A C 1.345 178.906 177.584 -0.037 0.000 1.161 377 A CA 1.923 53.816 52.037 -0.240 0.000 0.653 377 A CB -1.217 17.671 19.000 -0.187 0.000 0.802 377 A HN 0.607 nan 8.150 nan 0.000 0.457 378 N N -0.873 117.789 118.700 -0.063 0.000 2.422 378 N HA 0.047 4.790 4.740 0.006 0.000 0.181 378 N C 0.240 175.790 175.510 0.066 0.000 1.080 378 N CA 0.229 53.283 53.050 0.007 0.000 0.893 378 N CB 0.190 38.666 38.487 -0.018 0.000 0.973 378 N HN 0.446 nan 8.380 nan 0.000 0.456 379 D N -0.315 120.109 120.400 0.041 0.000 2.432 379 D HA 0.207 4.850 4.640 0.006 0.000 0.258 379 D C -0.812 175.572 176.300 0.139 0.000 1.146 379 D CA -0.373 53.638 54.000 0.019 0.000 1.015 379 D CB 0.689 41.441 40.800 -0.080 0.000 1.107 379 D HN 0.095 nan 8.370 nan 0.000 0.529 380 Y N -2.086 118.198 120.300 -0.026 0.000 2.638 380 Y HA 0.505 5.058 4.550 0.006 0.000 0.335 380 Y C -1.113 174.754 175.900 -0.054 0.000 1.155 380 Y CA -1.550 56.514 58.100 -0.061 0.000 1.046 380 Y CB 0.120 38.592 38.460 0.019 0.000 1.303 380 Y HN 0.074 nan 8.280 nan 0.000 0.460 381 F N 2.544 122.591 119.950 0.162 0.000 2.612 381 F HA 0.366 4.896 4.527 0.005 0.000 0.389 381 F C 1.530 177.369 175.800 0.064 0.000 1.055 381 F CA 1.599 59.582 58.000 -0.029 0.000 1.232 381 F CB 0.208 39.024 39.000 -0.307 0.000 1.044 381 F HN 0.968 nan 8.300 nan 0.000 0.560 382 G N 1.683 110.617 108.800 0.224 0.000 2.168 382 G HA2 -0.378 3.586 3.960 0.006 0.000 0.257 382 G HA3 -0.378 3.586 3.960 0.006 0.000 0.257 382 G C 1.305 176.254 174.900 0.082 0.000 0.997 382 G CA 0.745 45.979 45.100 0.224 0.000 0.708 382 G HN 0.918 nan 8.290 nan 0.000 0.520 383 S N -0.325 115.244 115.700 -0.217 0.000 2.370 383 S HA 0.063 4.536 4.470 0.006 0.000 0.226 383 S C 2.657 177.184 174.600 -0.123 0.000 1.033 383 S CA 1.852 59.775 58.200 -0.460 0.000 1.011 383 S CB -0.576 62.018 63.200 -1.010 0.000 0.852 383 S HN 1.762 nan 8.310 nan 0.000 0.457 384 A N 1.661 124.461 122.820 -0.033 0.000 1.933 384 A HA 0.106 4.430 4.320 0.006 0.000 0.218 384 A C 2.245 179.878 177.584 0.082 0.000 1.175 384 A CA 1.522 53.603 52.037 0.072 0.000 0.628 384 A CB -0.815 18.285 19.000 0.167 0.000 0.814 384 A HN 0.542 nan 8.150 nan 0.000 0.444 385 L N -0.542 120.675 121.223 -0.010 0.000 2.093 385 L HA 0.022 4.366 4.340 0.006 0.000 0.208 385 L C 1.950 178.706 176.870 -0.191 0.000 1.085 385 L CA 1.595 56.233 54.840 -0.338 0.000 0.755 385 L CB -0.383 41.155 42.059 -0.869 0.000 0.904 385 L HN 0.353 nan 8.230 nan 0.000 0.435 386 L N -1.131 120.048 121.223 -0.074 0.000 2.599 386 L HA 0.015 4.358 4.340 0.006 0.000 0.230 386 L C 2.304 179.178 176.870 0.007 0.000 1.141 386 L CA 0.138 54.959 54.840 -0.032 0.000 0.877 386 L CB -0.308 41.784 42.059 0.054 0.000 1.009 386 L HN 0.249 nan 8.230 nan 0.000 0.447 387 R N -1.117 119.393 120.500 0.017 0.000 1.963 387 R HA 0.266 4.609 4.340 0.006 0.000 0.193 387 R C 0.079 176.393 176.300 0.023 0.000 1.437 387 R CA 0.538 56.656 56.100 0.030 0.000 1.176 387 R CB 0.090 30.413 30.300 0.039 0.000 0.864 387 R HN 0.023 nan 8.270 nan 0.000 0.495 388 V N 0.000 119.936 119.914 0.037 0.000 2.409 388 V HA 0.000 4.123 4.120 0.006 0.000 0.244 388 V CA 0.000 62.328 62.300 0.047 0.000 1.235 388 V CB 0.000 31.849 31.823 0.043 0.000 1.184 388 V HN 0.000 nan 8.190 nan 0.000 0.556