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 3clq_1_D DATA FIRST_RESID 56 DATA SEQUENCE APTLYEKIQQ ANEEAVTRII QSKPILVGFD KAINVXPDXT ETTILHAGPP DATA SEQUENCE ITYENXCGPX KGAVQGALVF EGLAKDLADA DRVARSGAIT FSPCHEHDAV DATA SEQUENCE GSXAGVTSPN XYVHIIKNET YGNTAFTNLS EQLAKVLRFG ANDQSVVDRL DATA SEQUENCE IWXRDVLGPL LHDAXTFCPE GIDLRLXLSQ ALHXGDECHN RNVAGSTLLV DATA SEQUENCE QALTPYXVQT DFSREQLKEV FEFLGSSDYF SGPTWXGAAK CALDAGHNVE DATA SEQUENCE NSTIVTTXCR NGVEFGIRVS GIGGNHWFTG PAQRVIGPXF AGYTQEDAGL DATA SEQUENCE DXGDSAITET YGVGGFAXAA APAIVPLVGG TVAEALNYSK EXLEITTKEN DATA SEQUENCE PNVTIPVLDF XGIPTGIDVL KVLETGXLPV INTAIAHKEP GIGXIGAGLT DATA SEQUENCE NPPANVFNEA LKALVATIN 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 56 A HA 0.000 nan 4.320 nan 0.000 0.244 56 A C 0.000 177.592 177.584 0.013 0.000 1.274 56 A CA 0.000 52.042 52.037 0.009 0.000 0.836 56 A CB 0.000 19.005 19.000 0.008 0.000 0.831 57 P HA 0.617 nan 4.420 nan 0.000 0.290 57 P C 0.324 177.639 177.300 0.026 0.000 1.276 57 P CA -0.013 63.098 63.100 0.019 0.000 0.808 57 P CB 1.210 32.917 31.700 0.011 0.000 0.966 58 T N -0.781 113.798 114.554 0.042 0.000 2.860 58 T HA 0.081 4.431 4.350 0.000 0.000 0.299 58 T C 1.298 176.034 174.700 0.060 0.000 1.045 58 T CA -0.728 61.405 62.100 0.055 0.000 1.071 58 T CB 0.669 69.586 68.868 0.081 0.000 0.985 58 T HN 0.457 nan 8.240 nan 0.000 0.537 59 L N 1.154 122.414 121.223 0.061 0.000 2.013 59 L HA -0.110 4.230 4.340 0.000 0.000 0.212 59 L C 2.429 179.344 176.870 0.075 0.000 1.073 59 L CA 1.707 56.580 54.840 0.054 0.000 0.753 59 L CB -0.716 41.375 42.059 0.053 0.000 0.890 59 L HN 0.860 nan 8.230 nan 0.000 0.432 60 Y N 0.791 121.089 120.300 -0.003 0.000 2.165 60 Y HA -0.319 4.231 4.550 0.000 0.000 0.286 60 Y C 2.420 178.318 175.900 -0.002 0.000 1.155 60 Y CA 2.278 60.377 58.100 -0.002 0.000 1.164 60 Y CB -0.164 38.294 38.460 -0.002 0.000 0.978 60 Y HN 0.345 nan 8.280 nan 0.000 0.513 61 E N -0.080 120.167 120.200 0.079 0.000 2.110 61 E HA -0.190 4.160 4.350 0.000 0.000 0.193 61 E C 2.132 178.693 176.600 -0.064 0.000 0.988 61 E CA 1.280 57.680 56.400 -0.001 0.000 0.804 61 E CB -0.038 29.697 29.700 0.059 0.000 0.745 61 E HN 0.427 nan 8.360 nan 0.000 0.458 62 K N 0.217 120.592 120.400 -0.042 0.000 2.032 62 K HA -0.149 4.171 4.320 0.000 0.000 0.209 62 K C 2.047 178.596 176.600 -0.085 0.000 1.048 62 K CA 1.365 57.623 56.287 -0.049 0.000 0.927 62 K CB -0.119 32.365 32.500 -0.027 0.000 0.712 62 K HN 0.145 nan 8.250 nan 0.000 0.441 63 I N 1.090 121.587 120.570 -0.123 0.000 2.226 63 I HA -0.295 3.875 4.170 0.000 0.000 0.245 63 I C 2.363 178.364 176.117 -0.194 0.000 1.100 63 I CA 0.961 62.171 61.300 -0.151 0.000 1.374 63 I CB -0.369 37.531 38.000 -0.167 0.000 1.057 63 I HN 0.177 nan 8.210 nan 0.000 0.413 64 Q N 0.755 120.377 119.800 -0.297 0.000 2.096 64 Q HA -0.269 4.072 4.340 0.000 0.000 0.204 64 Q C 2.164 178.089 176.000 -0.126 0.000 0.982 64 Q CA 1.738 57.393 55.803 -0.246 0.000 0.850 64 Q CB -0.550 28.013 28.738 -0.291 0.000 0.901 64 Q HN 0.595 nan 8.270 nan 0.000 0.422 65 Q N -0.298 119.443 119.800 -0.098 0.000 2.167 65 Q HA -0.036 4.304 4.340 0.000 0.000 0.202 65 Q C 1.940 177.907 176.000 -0.054 0.000 0.970 65 Q CA 1.296 57.064 55.803 -0.058 0.000 0.855 65 Q CB -0.084 28.629 28.738 -0.042 0.000 0.911 65 Q HN 0.420 nan 8.270 nan 0.000 0.438 66 A N 0.859 123.641 122.820 -0.064 0.000 1.897 66 A HA -0.167 4.153 4.320 0.000 0.000 0.215 66 A C 1.681 179.234 177.584 -0.052 0.000 1.181 66 A CA 1.383 53.386 52.037 -0.056 0.000 0.620 66 A CB -0.336 18.629 19.000 -0.058 0.000 0.821 66 A HN 0.289 nan 8.150 nan 0.000 0.443 67 N N -0.162 118.502 118.700 -0.060 0.000 2.244 67 N HA -0.126 4.614 4.740 0.000 0.000 0.183 67 N C 1.641 177.130 175.510 -0.035 0.000 1.016 67 N CA 1.485 54.507 53.050 -0.046 0.000 0.866 67 N CB -0.306 38.149 38.487 -0.054 0.000 0.980 67 N HN 0.720 nan 8.380 nan 0.000 0.430 68 E N 1.340 121.518 120.200 -0.037 0.000 2.077 68 E HA -0.196 4.154 4.350 0.000 0.000 0.193 68 E C 1.756 178.345 176.600 -0.019 0.000 0.989 68 E CA 1.223 57.610 56.400 -0.023 0.000 0.800 68 E CB -0.135 29.552 29.700 -0.021 0.000 0.746 68 E HN 0.237 nan 8.360 nan 0.000 0.452 69 E N 0.344 120.527 120.200 -0.028 0.000 2.028 69 E HA -0.101 4.249 4.350 0.000 0.000 0.191 69 E C 1.903 178.473 176.600 -0.049 0.000 0.988 69 E CA 1.818 58.198 56.400 -0.033 0.000 0.799 69 E CB -0.745 28.931 29.700 -0.040 0.000 0.755 69 E HN 0.312 nan 8.360 nan 0.000 0.447 70 A N 0.376 123.167 122.820 -0.048 0.000 1.877 70 A HA -0.140 4.180 4.320 0.000 0.000 0.216 70 A C 2.576 180.139 177.584 -0.034 0.000 1.186 70 A CA 1.765 53.772 52.037 -0.050 0.000 0.620 70 A CB -1.037 17.946 19.000 -0.030 0.000 0.822 70 A HN 0.263 nan 8.150 nan 0.000 0.443 71 V N -0.583 119.320 119.914 -0.018 0.000 2.548 71 V HA -0.144 3.976 4.120 0.000 0.000 0.249 71 V C 2.547 178.644 176.094 0.005 0.000 1.055 71 V CA 2.671 64.967 62.300 -0.007 0.000 1.065 71 V CB -0.663 31.157 31.823 -0.006 0.000 0.681 71 V HN 0.618 nan 8.190 nan 0.000 0.462 72 T N -0.189 114.369 114.554 0.008 0.000 2.821 72 T HA -0.141 4.209 4.350 0.000 0.000 0.267 72 T C 1.988 176.735 174.700 0.079 0.000 1.046 72 T CA 1.447 63.571 62.100 0.041 0.000 1.139 72 T CB -0.187 68.705 68.868 0.040 0.000 0.871 72 T HN 0.458 nan 8.240 nan 0.000 0.454 73 R N 0.274 120.770 120.500 -0.007 0.000 2.073 73 R HA 0.021 4.361 4.340 0.000 0.000 0.234 73 R C 2.409 178.752 176.300 0.071 0.000 1.134 73 R CA 1.218 57.246 56.100 -0.120 0.000 0.952 73 R CB -0.510 29.545 30.300 -0.409 0.000 0.850 73 R HN 0.399 nan 8.270 nan 0.000 0.433 74 I N 0.692 121.292 120.570 0.049 0.000 2.163 74 I HA -0.301 3.869 4.170 0.000 0.000 0.243 74 I C 2.055 178.270 176.117 0.164 0.000 1.085 74 I CA 1.062 62.432 61.300 0.117 0.000 1.347 74 I CB -0.237 37.800 38.000 0.063 0.000 1.044 74 I HN 0.098 nan 8.210 nan 0.000 0.408 75 I N 0.376 121.006 120.570 0.100 0.000 2.252 75 I HA -0.253 3.917 4.170 0.000 0.000 0.245 75 I C 2.349 178.549 176.117 0.138 0.000 1.102 75 I CA 1.666 63.014 61.300 0.080 0.000 1.385 75 I CB -1.252 36.778 38.000 0.048 0.000 1.064 75 I HN 0.384 nan 8.210 nan 0.000 0.414 76 Q N -0.094 119.819 119.800 0.188 0.000 2.425 76 Q HA 0.093 4.433 4.340 0.000 0.000 0.204 76 Q C 0.598 176.686 176.000 0.146 0.000 0.933 76 Q CA -0.072 55.830 55.803 0.164 0.000 0.939 76 Q CB 0.126 28.964 28.738 0.168 0.000 1.044 76 Q HN 0.295 nan 8.270 nan 0.000 0.513 77 S N 2.069 117.933 115.700 0.273 0.000 2.546 77 S HA 0.033 4.503 4.470 0.000 0.000 0.290 77 S C -0.025 174.637 174.600 0.103 0.000 1.262 77 S CA 0.524 58.848 58.200 0.207 0.000 1.083 77 S CB 0.257 63.611 63.200 0.256 0.000 0.859 77 S HN 0.127 nan 8.310 nan 0.000 0.495 78 K N 4.358 124.775 120.400 0.029 0.000 2.478 78 K HA 0.282 4.602 4.320 0.000 0.000 0.236 78 K C -2.888 173.710 176.600 -0.003 0.000 1.021 78 K CA -1.950 54.346 56.287 0.014 0.000 1.010 78 K CB 1.212 33.705 32.500 -0.010 0.000 1.331 78 K HN 0.289 nan 8.250 nan 0.000 0.470 79 P HA 0.129 nan 4.420 nan 0.000 0.271 79 P C -0.480 176.803 177.300 -0.029 0.000 1.220 79 P CA -0.084 62.996 63.100 -0.033 0.000 0.768 79 P CB 0.591 32.260 31.700 -0.052 0.000 0.848 80 I N 3.964 124.501 120.570 -0.055 0.000 2.447 80 I HA 0.189 4.359 4.170 0.000 0.000 0.287 80 I C -0.135 175.930 176.117 -0.088 0.000 1.023 80 I CA -1.063 60.206 61.300 -0.051 0.000 1.083 80 I CB 1.555 39.523 38.000 -0.053 0.000 1.245 80 I HN 0.224 nan 8.210 nan 0.000 0.434 81 L N 8.488 129.662 121.223 -0.082 0.000 2.456 81 L HA 0.132 4.472 4.340 0.000 0.000 0.277 81 L C 0.881 177.647 176.870 -0.172 0.000 1.124 81 L CA 0.571 55.323 54.840 -0.146 0.000 0.880 81 L CB 0.750 42.737 42.059 -0.121 0.000 1.192 81 L HN 0.537 nan 8.230 nan 0.000 0.463 82 V N 2.297 122.087 119.914 -0.206 0.000 3.523 82 V HA 0.762 4.882 4.120 0.000 0.000 0.255 82 V C 0.788 176.756 176.094 -0.209 0.000 1.226 82 V CA 0.615 62.809 62.300 -0.177 0.000 1.092 82 V CB -0.364 31.381 31.823 -0.129 0.000 0.817 82 V HN 0.867 nan 8.190 nan 0.000 0.458 83 G N -0.638 107.975 108.800 -0.311 0.000 2.430 83 G HA2 0.591 4.551 3.960 0.000 0.000 0.300 83 G HA3 0.591 4.551 3.960 0.000 0.000 0.300 83 G C -2.023 172.583 174.900 -0.489 0.000 1.330 83 G CA -0.683 44.245 45.100 -0.286 0.000 0.813 83 G HN 0.089 nan 8.290 nan 0.000 0.487 84 F N -0.215 119.794 119.950 0.098 0.000 2.588 84 F HA 0.799 5.326 4.527 0.000 0.000 0.314 84 F C -0.324 175.663 175.800 0.311 0.000 1.069 84 F CA -0.506 57.596 58.000 0.170 0.000 0.931 84 F CB 3.063 42.151 39.000 0.148 0.000 1.260 84 F HN 0.515 nan 8.300 nan 0.000 0.465 85 D N 0.484 121.119 120.400 0.393 0.000 2.742 85 D HA 0.158 4.798 4.640 0.000 0.000 0.262 85 D C -1.410 174.612 176.300 -0.464 0.000 1.240 85 D CA -0.803 53.202 54.000 0.008 0.000 0.752 85 D CB 1.929 42.760 40.800 0.052 0.000 1.290 85 D HN 0.400 nan 8.370 nan 0.000 0.420 86 K N 0.946 120.824 120.400 -0.869 0.000 2.524 86 K HA 0.279 4.599 4.320 0.000 0.000 0.279 86 K C 1.065 177.464 176.600 -0.336 0.000 0.993 86 K CA 0.501 56.379 56.287 -0.683 0.000 1.030 86 K CB 0.745 32.939 32.500 -0.510 0.000 0.891 86 K HN 0.444 nan 8.250 nan 0.000 0.488 87 A N 4.225 126.897 122.820 -0.247 0.000 1.892 87 A HA -0.214 4.106 4.320 0.000 0.000 0.218 87 A C 1.912 179.346 177.584 -0.250 0.000 1.188 87 A CA 1.665 53.560 52.037 -0.237 0.000 0.631 87 A CB -0.523 18.366 19.000 -0.185 0.000 0.822 87 A HN 0.899 nan 8.150 nan 0.000 0.447 88 I N -0.471 119.979 120.570 -0.200 0.000 3.083 88 I HA -0.181 3.989 4.170 0.000 0.000 0.273 88 I C 1.162 177.183 176.117 -0.158 0.000 1.297 88 I CA 1.024 62.221 61.300 -0.172 0.000 1.452 88 I CB -0.174 37.744 38.000 -0.138 0.000 1.078 88 I HN 0.243 nan 8.210 nan 0.000 0.484 89 N N -0.327 118.270 118.700 -0.172 0.000 2.424 89 N HA 0.099 4.839 4.740 0.000 0.000 0.178 89 N C 0.189 175.637 175.510 -0.102 0.000 1.060 89 N CA 0.435 53.407 53.050 -0.129 0.000 0.901 89 N CB 0.753 39.160 38.487 -0.132 0.000 0.979 89 N HN 0.252 nan 8.380 nan 0.000 0.451 96 E N 1.084 121.233 120.200 -0.086 0.000 2.209 96 E HA -0.042 4.308 4.350 0.000 0.000 0.196 96 E C 1.645 178.186 176.600 -0.098 0.000 0.993 96 E CA 2.120 58.467 56.400 -0.090 0.000 0.819 96 E CB -0.347 29.305 29.700 -0.080 0.000 0.745 96 E HN 0.874 nan 8.360 nan 0.000 0.477 97 T N -1.907 112.585 114.554 -0.104 0.000 3.293 97 T HA 0.258 4.608 4.350 0.000 0.000 0.276 97 T C 0.154 174.760 174.700 -0.157 0.000 1.003 97 T CA -0.542 61.484 62.100 -0.123 0.000 0.916 97 T CB 0.131 68.929 68.868 -0.117 0.000 1.134 97 T HN -0.260 nan 8.240 nan 0.000 0.530 98 T N 3.210 117.677 114.554 -0.145 0.000 2.824 98 T HA 0.697 5.047 4.350 0.000 0.000 0.280 98 T C -0.510 174.100 174.700 -0.151 0.000 0.995 98 T CA -0.647 61.355 62.100 -0.163 0.000 1.009 98 T CB 1.322 70.096 68.868 -0.157 0.000 0.955 98 T HN 0.594 nan 8.240 nan 0.000 0.452 99 I N 1.641 122.124 120.570 -0.145 0.000 2.569 99 I HA 0.611 4.781 4.170 0.000 0.000 0.290 99 I C -1.538 174.633 176.117 0.090 0.000 1.088 99 I CA -0.920 60.364 61.300 -0.028 0.000 1.047 99 I CB 1.197 39.210 38.000 0.022 0.000 1.237 99 I HN 0.530 nan 8.210 nan 0.000 0.421 100 L N 6.860 128.105 121.223 0.036 0.000 2.325 100 L HA 0.639 4.979 4.340 0.000 0.000 0.279 100 L C -0.349 176.561 176.870 0.068 0.000 1.054 100 L CA -0.669 54.168 54.840 -0.004 0.000 0.804 100 L CB 1.088 43.088 42.059 -0.099 0.000 1.200 100 L HN 0.841 nan 8.230 nan 0.000 0.436 101 H N 0.807 119.926 119.070 0.082 0.000 2.797 101 H HA 0.838 5.394 4.556 0.000 0.000 0.362 101 H C -0.522 174.803 175.328 -0.005 0.000 1.183 101 H CA -0.988 55.080 56.048 0.032 0.000 1.197 101 H CB 1.119 30.887 29.762 0.010 0.000 1.835 101 H HN 0.645 nan 8.280 nan 0.000 0.567 102 A N 0.591 123.466 122.820 0.093 0.000 2.304 102 A HA 0.633 4.953 4.320 0.000 0.000 0.271 102 A C 1.036 178.670 177.584 0.084 0.000 1.091 102 A CA 0.267 52.317 52.037 0.022 0.000 0.812 102 A CB -0.793 18.197 19.000 -0.017 0.000 1.056 102 A HN 1.714 nan 8.150 nan 0.000 0.489 103 G N 0.349 109.141 108.800 -0.013 0.000 2.725 103 G HA2 -0.031 3.929 3.960 0.000 0.000 0.220 103 G HA3 -0.031 3.929 3.960 0.000 0.000 0.220 103 G C -2.994 171.691 174.900 -0.359 0.000 1.357 103 G CA -0.294 44.719 45.100 -0.145 0.000 0.866 103 G HN 0.870 nan 8.290 nan 0.000 0.548 104 P HA 0.423 nan 4.420 nan 0.000 0.276 104 P C -2.603 174.396 177.300 -0.503 0.000 1.261 104 P CA -1.397 61.041 63.100 -1.103 0.000 0.800 104 P CB -0.057 31.087 31.700 -0.928 0.000 1.066 105 P HA 0.102 nan 4.420 nan 0.000 0.265 105 P C -0.401 176.811 177.300 -0.146 0.000 1.187 105 P CA 0.956 63.984 63.100 -0.120 0.000 0.766 105 P CB -0.042 31.602 31.700 -0.094 0.000 0.820 106 I N -2.283 118.188 120.570 -0.166 0.000 2.897 106 I HA 0.476 4.646 4.170 0.000 0.000 0.299 106 I C -0.685 175.288 176.117 -0.241 0.000 1.527 106 I CA -1.064 60.107 61.300 -0.215 0.000 0.979 106 I CB 2.218 40.051 38.000 -0.278 0.000 1.360 106 I HN 0.222 nan 8.210 nan 0.000 0.495 107 T N -0.019 114.433 114.554 -0.171 0.000 2.909 107 T HA 0.285 4.635 4.350 0.000 0.000 0.289 107 T C 0.807 175.353 174.700 -0.258 0.000 1.005 107 T CA -0.188 61.830 62.100 -0.137 0.000 1.084 107 T CB 1.313 70.172 68.868 -0.014 0.000 0.975 107 T HN 0.782 nan 8.240 nan 0.000 0.509 108 Y N 2.769 122.778 120.300 -0.486 0.000 2.029 108 Y HA -0.332 4.218 4.550 0.000 0.000 0.269 108 Y C 2.500 178.251 175.900 -0.249 0.000 1.201 108 Y CA 2.691 60.483 58.100 -0.513 0.000 1.115 108 Y CB -0.313 37.942 38.460 -0.341 0.000 0.945 108 Y HN 0.840 nan 8.280 nan 0.000 0.497 109 E N 0.400 120.529 120.200 -0.118 0.000 2.265 109 E HA -0.150 4.200 4.350 0.000 0.000 0.196 109 E C 0.328 176.798 176.600 -0.216 0.000 0.996 109 E CA 0.871 57.167 56.400 -0.174 0.000 0.832 109 E CB -0.708 28.999 29.700 0.012 0.000 0.756 109 E HN 0.563 nan 8.360 nan 0.000 0.491 113 G N 1.366 110.118 108.800 -0.081 0.000 2.586 113 G HA2 0.083 4.043 3.960 0.000 0.000 0.218 113 G HA3 0.083 4.043 3.960 0.000 0.000 0.218 113 G C -1.447 173.436 174.900 -0.029 0.000 1.216 113 G CA 1.799 46.869 45.100 -0.050 0.000 0.786 113 G HN 0.809 nan 8.290 nan 0.000 0.583 117 G N 1.858 110.690 108.800 0.053 0.000 2.524 117 G HA2 -0.222 3.738 3.960 0.000 0.000 0.215 117 G HA3 -0.222 3.738 3.960 0.000 0.000 0.215 117 G C 1.520 176.479 174.900 0.099 0.000 1.239 117 G CA 1.677 46.824 45.100 0.079 0.000 0.798 117 G HN 0.315 nan 8.290 nan 0.000 0.557 118 A N 0.432 123.303 122.820 0.084 0.000 1.909 118 A HA -0.200 4.120 4.320 0.000 0.000 0.221 118 A C 2.802 180.463 177.584 0.128 0.000 1.223 118 A CA 3.857 55.948 52.037 0.091 0.000 0.658 118 A CB -1.339 17.702 19.000 0.069 0.000 0.831 118 A HN 1.207 nan 8.150 nan 0.000 0.462 119 V N -2.326 117.687 119.914 0.165 0.000 2.469 119 V HA -0.344 3.776 4.120 0.000 0.000 0.251 119 V C 2.130 178.347 176.094 0.204 0.000 1.064 119 V CA 2.649 65.091 62.300 0.236 0.000 1.066 119 V CB -1.151 30.889 31.823 0.361 0.000 0.667 119 V HN 0.659 nan 8.190 nan 0.000 0.461 120 Q N 0.946 120.856 119.800 0.184 0.000 2.079 120 Q HA 0.033 4.373 4.340 0.000 0.000 0.200 120 Q C 2.448 178.523 176.000 0.125 0.000 0.974 120 Q CA 1.727 57.614 55.803 0.141 0.000 0.840 120 Q CB -0.693 28.125 28.738 0.134 0.000 0.898 120 Q HN 0.762 nan 8.270 nan 0.000 0.430 121 G N 0.828 109.703 108.800 0.125 0.000 2.446 121 G HA2 -0.304 3.657 3.960 0.000 0.000 0.217 121 G HA3 -0.304 3.657 3.960 0.000 0.000 0.217 121 G C 1.495 176.501 174.900 0.176 0.000 1.168 121 G CA 1.003 46.180 45.100 0.128 0.000 0.771 121 G HN 0.432 nan 8.290 nan 0.000 0.551 122 A N 0.615 123.541 122.820 0.176 0.000 1.883 122 A HA 0.018 4.338 4.320 0.000 0.000 0.217 122 A C 2.475 180.199 177.584 0.233 0.000 1.186 122 A CA 1.503 53.688 52.037 0.247 0.000 0.624 122 A CB -0.494 18.621 19.000 0.191 0.000 0.822 122 A HN 0.366 nan 8.150 nan 0.000 0.444 123 L N -0.298 121.009 121.223 0.140 0.000 2.046 123 L HA -0.174 4.166 4.340 0.000 0.000 0.208 123 L C 2.427 179.331 176.870 0.056 0.000 1.077 123 L CA 1.339 56.220 54.840 0.069 0.000 0.747 123 L CB -0.535 41.548 42.059 0.039 0.000 0.896 123 L HN 0.314 nan 8.230 nan 0.000 0.432 124 V N -1.290 118.680 119.914 0.094 0.000 2.719 124 V HA -0.233 3.887 4.120 0.000 0.000 0.252 124 V C 2.115 178.270 176.094 0.102 0.000 1.065 124 V CA 1.197 63.543 62.300 0.077 0.000 1.086 124 V CB -0.730 31.145 31.823 0.087 0.000 0.700 124 V HN 0.358 nan 8.190 nan 0.000 0.467 125 F N 1.608 121.575 119.950 0.028 0.000 2.259 125 F HA -0.014 4.513 4.527 0.000 0.000 0.298 125 F C 2.228 178.039 175.800 0.017 0.000 1.088 125 F CA 1.400 59.418 58.000 0.031 0.000 1.358 125 F CB -0.091 38.935 39.000 0.043 0.000 1.040 125 F HN 0.063 nan 8.300 nan 0.000 0.505 126 E N 0.658 120.703 120.200 -0.259 0.000 2.274 126 E HA 0.057 4.407 4.350 0.000 0.000 0.194 126 E C 1.994 178.426 176.600 -0.280 0.000 0.996 126 E CA 0.946 57.127 56.400 -0.365 0.000 0.840 126 E CB -0.643 28.976 29.700 -0.135 0.000 0.772 126 E HN 0.557 nan 8.360 nan 0.000 0.491 127 G N 0.503 109.195 108.800 -0.180 0.000 2.141 127 G HA2 -0.231 3.729 3.960 0.000 0.000 0.231 127 G HA3 -0.231 3.729 3.960 0.000 0.000 0.231 127 G C 0.436 175.286 174.900 -0.083 0.000 0.984 127 G CA 0.294 45.321 45.100 -0.122 0.000 0.660 127 G HN 0.200 nan 8.290 nan 0.000 0.525 128 L N 0.756 121.935 121.223 -0.073 0.000 2.791 128 L HA 0.785 5.125 4.340 0.000 0.000 0.239 128 L C 0.980 177.827 176.870 -0.038 0.000 1.203 128 L CA 0.777 55.582 54.840 -0.059 0.000 1.002 128 L CB 0.183 42.201 42.059 -0.068 0.000 1.295 128 L HN 1.004 nan 8.230 nan 0.000 0.504 129 A N -1.516 121.288 122.820 -0.027 0.000 2.583 129 A HA 0.408 4.728 4.320 0.000 0.000 0.298 129 A C 0.563 178.145 177.584 -0.004 0.000 1.055 129 A CA -0.614 51.416 52.037 -0.012 0.000 0.714 129 A CB 0.983 19.984 19.000 0.002 0.000 1.277 129 A HN 0.063 nan 8.150 nan 0.000 0.406 130 K N -0.033 120.366 120.400 -0.002 0.000 2.057 130 K HA -0.058 4.262 4.320 0.000 0.000 0.206 130 K C 0.337 176.947 176.600 0.016 0.000 1.050 130 K CA 2.395 58.684 56.287 0.004 0.000 0.935 130 K CB -0.049 32.452 32.500 0.002 0.000 0.715 130 K HN 0.906 nan 8.250 nan 0.000 0.439 131 D N -2.791 117.621 120.400 0.020 0.000 3.703 131 D HA 0.100 4.740 4.640 0.000 0.000 0.315 131 D C 0.738 177.060 176.300 0.037 0.000 1.464 131 D CA -0.743 53.275 54.000 0.031 0.000 0.982 131 D CB 0.024 40.840 40.800 0.028 0.000 1.391 131 D HN -0.214 nan 8.370 nan 0.000 0.625 132 L N -0.476 120.772 121.223 0.041 0.000 2.145 132 L HA 0.228 4.568 4.340 0.000 0.000 0.201 132 L C 2.447 179.345 176.870 0.046 0.000 1.075 132 L CA 1.101 55.971 54.840 0.051 0.000 0.773 132 L CB -0.595 41.497 42.059 0.056 0.000 0.936 132 L HN 0.566 nan 8.230 nan 0.000 0.451 133 A N 0.841 123.684 122.820 0.038 0.000 2.084 133 A HA -0.231 4.089 4.320 0.000 0.000 0.221 133 A C 1.724 179.324 177.584 0.028 0.000 1.161 133 A CA 2.052 54.111 52.037 0.036 0.000 0.653 133 A CB -0.501 18.516 19.000 0.029 0.000 0.802 133 A HN 0.639 nan 8.150 nan 0.000 0.457 134 D N -0.681 119.731 120.400 0.020 0.000 2.323 134 D HA 0.203 4.843 4.640 0.000 0.000 0.218 134 D C 1.945 178.242 176.300 -0.005 0.000 0.973 134 D CA 0.895 54.899 54.000 0.006 0.000 0.890 134 D CB -0.936 39.864 40.800 0.001 0.000 1.011 134 D HN 0.293 nan 8.370 nan 0.000 0.499 135 A N 1.765 124.588 122.820 0.005 0.000 1.869 135 A HA -0.335 3.985 4.320 0.000 0.000 0.218 135 A C 2.013 179.575 177.584 -0.037 0.000 1.203 135 A CA 2.683 54.718 52.037 -0.004 0.000 0.638 135 A CB -1.264 17.756 19.000 0.033 0.000 0.831 135 A HN 0.272 nan 8.150 nan 0.000 0.450 136 D N -0.924 119.485 120.400 0.015 0.000 2.154 136 D HA -0.256 4.384 4.640 0.000 0.000 0.190 136 D C 2.135 178.407 176.300 -0.046 0.000 1.003 136 D CA 2.092 56.114 54.000 0.036 0.000 0.849 136 D CB -0.258 40.610 40.800 0.114 0.000 0.942 136 D HN 0.476 nan 8.370 nan 0.000 0.446 137 R N -0.185 120.305 120.500 -0.017 0.000 2.070 137 R HA -0.120 4.220 4.340 0.000 0.000 0.233 137 R C 2.405 178.665 176.300 -0.067 0.000 1.137 137 R CA 1.795 57.879 56.100 -0.026 0.000 0.945 137 R CB -0.499 29.797 30.300 -0.007 0.000 0.845 137 R HN 0.315 nan 8.270 nan 0.000 0.430 138 V N -1.383 118.488 119.914 -0.072 0.000 3.330 138 V HA 0.041 4.161 4.120 0.000 0.000 0.273 138 V C 1.630 177.645 176.094 -0.132 0.000 1.179 138 V CA 1.584 63.834 62.300 -0.084 0.000 1.174 138 V CB -0.267 31.516 31.823 -0.066 0.000 0.794 138 V HN 0.378 nan 8.190 nan 0.000 0.527 139 A N 0.882 123.570 122.820 -0.220 0.000 1.973 139 A HA 0.214 4.534 4.320 0.000 0.000 0.210 139 A C 2.306 179.758 177.584 -0.219 0.000 1.200 139 A CA 0.670 52.516 52.037 -0.318 0.000 0.707 139 A CB -0.233 18.282 19.000 -0.808 0.000 0.862 139 A HN 0.496 nan 8.150 nan 0.000 0.461 140 R N 1.014 121.397 120.500 -0.195 0.000 2.189 140 R HA -0.066 4.274 4.340 0.000 0.000 0.218 140 R C 2.124 178.426 176.300 0.004 0.000 1.074 140 R CA 1.277 57.370 56.100 -0.012 0.000 0.991 140 R CB -0.356 29.966 30.300 0.037 0.000 0.883 140 R HN 0.627 nan 8.270 nan 0.000 0.457 141 S N -0.280 115.400 115.700 -0.033 0.000 2.493 141 S HA -0.046 4.424 4.470 0.000 0.000 0.243 141 S C 1.695 176.285 174.600 -0.017 0.000 0.991 141 S CA 0.792 58.977 58.200 -0.025 0.000 0.957 141 S CB -0.177 62.998 63.200 -0.042 0.000 0.756 141 S HN 0.568 nan 8.310 nan 0.000 0.521 142 G N 0.713 109.507 108.800 -0.009 0.000 2.253 142 G HA2 -0.292 3.668 3.960 0.000 0.000 0.251 142 G HA3 -0.292 3.668 3.960 0.000 0.000 0.251 142 G C 1.081 175.956 174.900 -0.042 0.000 0.998 142 G CA 0.426 45.523 45.100 -0.006 0.000 0.621 142 G HN 1.182 nan 8.290 nan 0.000 0.524 143 A N 0.286 123.067 122.820 -0.065 0.000 1.877 143 A HA 0.355 4.676 4.320 0.000 0.000 0.216 143 A C 1.320 178.820 177.584 -0.140 0.000 1.186 143 A CA 1.503 53.488 52.037 -0.087 0.000 0.620 143 A CB -0.163 18.787 19.000 -0.084 0.000 0.822 143 A HN 0.634 nan 8.150 nan 0.000 0.443 144 I N 1.450 121.891 120.570 -0.215 0.000 2.529 144 I HA 0.151 4.321 4.170 0.000 0.000 0.284 144 I C -0.182 175.663 176.117 -0.454 0.000 1.082 144 I CA 0.454 61.528 61.300 -0.377 0.000 1.406 144 I CB 0.595 38.252 38.000 -0.571 0.000 1.405 144 I HN 0.024 nan 8.210 nan 0.000 0.548 145 T N 7.374 121.702 114.554 -0.378 0.000 2.733 145 T HA 0.465 4.815 4.350 0.000 0.000 0.294 145 T C -0.156 174.363 174.700 -0.302 0.000 0.956 145 T CA -0.234 61.718 62.100 -0.247 0.000 0.987 145 T CB 0.092 68.901 68.868 -0.099 0.000 0.920 145 T HN 0.087 nan 8.240 nan 0.000 0.470 146 F N 1.866 121.866 119.950 0.084 0.000 2.377 146 F HA 0.676 5.203 4.527 0.000 0.000 0.328 146 F C 0.973 176.884 175.800 0.184 0.000 1.094 146 F CA -0.585 57.508 58.000 0.156 0.000 1.093 146 F CB 1.511 40.620 39.000 0.181 0.000 1.214 146 F HN 0.530 nan 8.300 nan 0.000 0.518 147 S N 2.031 117.972 115.700 0.401 0.000 2.604 147 S HA 0.452 4.922 4.470 0.000 0.000 0.296 147 S C -3.337 171.199 174.600 -0.107 0.000 1.097 147 S CA -1.262 57.078 58.200 0.234 0.000 0.883 147 S CB 1.547 64.938 63.200 0.317 0.000 1.081 147 S HN 0.169 nan 8.310 nan 0.000 0.448 148 P HA 0.288 nan 4.420 nan 0.000 0.268 148 P C 0.713 177.984 177.300 -0.048 0.000 1.205 148 P CA -0.465 62.398 63.100 -0.396 0.000 0.771 148 P CB 0.308 31.960 31.700 -0.078 0.000 0.858 149 C N 1.224 120.457 119.300 -0.112 0.000 2.398 149 C HA -0.196 4.264 4.460 0.000 0.000 0.276 149 C C 2.317 177.355 174.990 0.080 0.000 1.222 149 C CA 1.259 60.267 59.018 -0.016 0.000 1.746 149 C CB -2.006 25.669 27.740 -0.109 0.000 2.039 149 C HN 0.767 nan 8.230 nan 0.000 0.470 150 H N 0.178 119.317 119.070 0.115 0.000 2.466 150 H HA -0.149 4.407 4.556 0.000 0.000 0.297 150 H C 1.982 177.381 175.328 0.119 0.000 1.113 150 H CA 1.685 57.828 56.048 0.157 0.000 1.273 150 H CB -0.029 29.926 29.762 0.321 0.000 1.371 150 H HN 0.657 nan 8.280 nan 0.000 0.528 151 E N -0.486 119.853 120.200 0.231 0.000 2.489 151 E HA -0.034 4.316 4.350 0.000 0.000 0.193 151 E C 0.197 176.657 176.600 -0.232 0.000 1.057 151 E CA 0.253 56.663 56.400 0.015 0.000 0.866 151 E CB 0.440 30.134 29.700 -0.010 0.000 0.916 151 E HN 0.710 nan 8.360 nan 0.000 0.500 152 H N 0.806 119.921 119.070 0.074 0.000 2.492 152 H HA 0.091 4.647 4.556 0.000 0.000 0.264 152 H C -0.647 174.758 175.328 0.128 0.000 1.150 152 H CA -0.229 55.855 56.048 0.060 0.000 0.962 152 H CB 0.400 30.161 29.762 -0.002 0.000 1.766 152 H HN 0.055 nan 8.280 nan 0.000 0.589 153 D N 0.568 121.087 120.400 0.197 0.000 2.746 153 D HA -0.135 4.505 4.640 0.000 0.000 0.236 153 D C 0.133 176.566 176.300 0.221 0.000 1.129 153 D CA 0.942 55.059 54.000 0.194 0.000 0.691 153 D CB -1.337 39.604 40.800 0.236 0.000 1.077 153 D HN 0.597 nan 8.370 nan 0.000 0.432 154 A N -0.848 122.045 122.820 0.121 0.000 2.515 154 A HA 0.847 5.167 4.320 0.000 0.000 0.296 154 A C -0.169 177.309 177.584 -0.177 0.000 1.094 154 A CA -0.303 51.772 52.037 0.063 0.000 0.718 154 A CB 2.203 21.267 19.000 0.107 0.000 1.307 154 A HN 0.507 nan 8.150 nan 0.000 0.408 155 V N -1.779 118.027 119.914 -0.179 0.000 2.914 155 V HA 0.978 5.098 4.120 0.000 0.000 0.314 155 V C 0.093 176.096 176.094 -0.150 0.000 1.084 155 V CA -0.230 61.905 62.300 -0.275 0.000 0.963 155 V CB 1.610 33.267 31.823 -0.277 0.000 1.025 155 V HN 1.675 nan 8.190 nan 0.000 0.432 156 G N 0.609 109.326 108.800 -0.137 0.000 2.683 156 G HA2 0.543 4.503 3.960 0.000 0.000 0.299 156 G HA3 0.543 4.503 3.960 0.000 0.000 0.299 156 G C -0.510 174.347 174.900 -0.072 0.000 1.432 156 G CA -0.177 44.875 45.100 -0.081 0.000 0.978 156 G HN 0.942 nan 8.290 nan 0.000 0.513 160 G N -0.123 108.648 108.800 -0.048 0.000 2.187 160 G HA2 -0.133 3.827 3.960 0.000 0.000 0.261 160 G HA3 -0.133 3.827 3.960 0.000 0.000 0.261 160 G C 0.323 175.231 174.900 0.014 0.000 1.000 160 G CA 0.440 45.526 45.100 -0.024 0.000 0.718 160 G HN 1.361 nan 8.290 nan 0.000 0.519 161 V N 0.995 120.929 119.914 0.034 0.000 2.572 161 V HA 0.497 4.617 4.120 0.000 0.000 0.291 161 V C 0.730 176.851 176.094 0.045 0.000 1.039 161 V CA 0.933 63.274 62.300 0.069 0.000 1.055 161 V CB 1.340 33.220 31.823 0.096 0.000 0.969 161 V HN 0.386 nan 8.190 nan 0.000 0.482 162 T N 3.854 118.433 114.554 0.043 0.000 2.937 162 T HA 0.493 4.843 4.350 0.000 0.000 0.297 162 T C -0.221 174.494 174.700 0.026 0.000 0.991 162 T CA -0.621 61.492 62.100 0.022 0.000 0.990 162 T CB 1.533 70.395 68.868 -0.011 0.000 0.991 162 T HN 0.809 nan 8.240 nan 0.000 0.440 163 S N 2.674 118.411 115.700 0.061 0.000 2.718 163 S HA 0.593 5.063 4.470 0.000 0.000 0.300 163 S C -2.025 172.594 174.600 0.031 0.000 1.117 163 S CA -1.684 56.559 58.200 0.071 0.000 1.002 163 S CB 1.261 64.574 63.200 0.189 0.000 1.092 163 S HN 0.262 nan 8.310 nan 0.000 0.542 164 P HA -0.084 nan 4.420 nan 0.000 0.217 164 P C 0.080 177.355 177.300 -0.042 0.000 1.151 164 P CA 1.386 64.449 63.100 -0.063 0.000 0.849 164 P CB -0.034 31.617 31.700 -0.082 0.000 0.787 168 V N -1.713 118.358 119.914 0.262 0.000 3.130 168 V HA 0.689 4.809 4.120 0.000 0.000 0.310 168 V C -1.030 175.284 176.094 0.367 0.000 1.158 168 V CA -1.093 61.380 62.300 0.288 0.000 1.029 168 V CB 2.001 33.949 31.823 0.208 0.000 1.057 168 V HN 0.809 nan 8.190 nan 0.000 0.436 169 H N 1.810 121.025 119.070 0.241 0.000 2.764 169 H HA 0.590 5.146 4.556 0.000 0.000 0.341 169 H C -0.162 175.165 175.328 -0.002 0.000 1.072 169 H CA 0.374 56.434 56.048 0.021 0.000 1.444 169 H CB 0.747 30.469 29.762 -0.066 0.000 1.458 169 H HN 0.634 nan 8.280 nan 0.000 0.572 170 I N 5.367 125.885 120.570 -0.087 0.000 2.354 170 I HA 0.263 4.433 4.170 0.000 0.000 0.286 170 I C -0.441 175.533 176.117 -0.238 0.000 1.007 170 I CA -0.232 60.997 61.300 -0.119 0.000 1.167 170 I CB 0.766 38.746 38.000 -0.032 0.000 1.320 170 I HN 0.387 nan 8.210 nan 0.000 0.458 171 I N 6.369 126.745 120.570 -0.324 0.000 2.410 171 I HA 0.353 4.523 4.170 0.000 0.000 0.286 171 I C -0.273 175.692 176.117 -0.253 0.000 1.009 171 I CA -0.594 60.555 61.300 -0.251 0.000 1.111 171 I CB 1.884 39.752 38.000 -0.219 0.000 1.262 171 I HN 0.501 nan 8.210 nan 0.000 0.443 172 K N 5.402 125.699 120.400 -0.172 0.000 2.307 172 K HA 0.277 4.597 4.320 0.000 0.000 0.263 172 K C -0.201 176.349 176.600 -0.084 0.000 0.973 172 K CA -0.701 55.509 56.287 -0.129 0.000 0.846 172 K CB 1.043 33.483 32.500 -0.101 0.000 1.100 172 K HN 0.471 nan 8.250 nan 0.000 0.438 173 N N 3.342 122.008 118.700 -0.057 0.000 2.434 173 N HA -0.102 4.638 4.740 0.000 0.000 0.268 173 N C 0.498 175.986 175.510 -0.036 0.000 1.256 173 N CA 0.585 53.623 53.050 -0.020 0.000 0.914 173 N CB 1.035 39.549 38.487 0.045 0.000 1.088 173 N HN 0.782 nan 8.380 nan 0.000 0.478 174 E N 2.143 122.310 120.200 -0.055 0.000 2.358 174 E HA -0.075 4.275 4.350 0.000 0.000 0.195 174 E C 0.374 176.903 176.600 -0.119 0.000 1.010 174 E CA 0.916 57.273 56.400 -0.071 0.000 0.856 174 E CB 0.426 30.090 29.700 -0.060 0.000 0.795 174 E HN 0.590 nan 8.360 nan 0.000 0.504 175 T N -0.832 113.608 114.554 -0.190 0.000 2.953 175 T HA -0.001 4.349 4.350 0.000 0.000 0.247 175 T C 0.711 175.086 174.700 -0.542 0.000 1.029 175 T CA 0.689 62.530 62.100 -0.431 0.000 1.144 175 T CB -0.134 68.351 68.868 -0.638 0.000 0.870 175 T HN 0.233 nan 8.240 nan 0.000 0.446 176 Y N 0.299 120.598 120.300 -0.001 0.000 2.445 176 Y HA 0.494 5.044 4.550 0.000 0.000 0.247 176 Y C 1.900 177.796 175.900 -0.007 0.000 1.129 176 Y CA -0.335 57.765 58.100 -0.001 0.000 1.251 176 Y CB 0.367 38.830 38.460 0.006 0.000 1.176 176 Y HN 0.343 nan 8.280 nan 0.000 0.522 177 G N 0.727 109.577 108.800 0.083 0.000 2.175 177 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 177 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 177 G C 0.070 174.985 174.900 0.026 0.000 0.982 177 G CA 0.122 45.244 45.100 0.036 0.000 0.641 177 G HN 0.414 nan 8.290 nan 0.000 0.527 178 N N 0.446 119.169 118.700 0.039 0.000 2.445 178 N HA 0.548 5.288 4.740 0.000 0.000 0.264 178 N C -0.473 175.003 175.510 -0.057 0.000 1.227 178 N CA 0.417 53.471 53.050 0.006 0.000 0.963 178 N CB 0.929 39.430 38.487 0.023 0.000 1.188 178 N HN 0.078 nan 8.380 nan 0.000 0.491 179 T N -0.357 114.137 114.554 -0.100 0.000 2.885 179 T HA 0.724 5.074 4.350 0.000 0.000 0.285 179 T C -0.436 174.031 174.700 -0.388 0.000 1.019 179 T CA -0.584 61.353 62.100 -0.272 0.000 1.010 179 T CB 1.517 70.197 68.868 -0.314 0.000 1.022 179 T HN 0.812 nan 8.240 nan 0.000 0.466 180 A N 1.950 124.428 122.820 -0.570 0.000 2.435 180 A HA 0.981 5.301 4.320 0.000 0.000 0.296 180 A C -1.616 175.453 177.584 -0.859 0.000 1.147 180 A CA -0.774 50.962 52.037 -0.503 0.000 0.775 180 A CB 1.086 19.943 19.000 -0.239 0.000 1.340 180 A HN 0.692 nan 8.150 nan 0.000 0.427 181 F N -0.706 119.218 119.950 -0.043 0.000 2.599 181 F HA 0.746 5.273 4.527 0.000 0.000 0.311 181 F C 0.205 175.976 175.800 -0.049 0.000 1.076 181 F CA -0.273 57.713 58.000 -0.024 0.000 0.937 181 F CB 2.931 41.927 39.000 -0.008 0.000 1.282 181 F HN 0.613 nan 8.300 nan 0.000 0.460 182 T N -0.562 114.103 114.554 0.184 0.000 2.853 182 T HA 0.365 4.715 4.350 0.000 0.000 0.311 182 T C -0.966 173.856 174.700 0.203 0.000 1.307 182 T CA -1.344 60.806 62.100 0.084 0.000 1.019 182 T CB 1.608 70.408 68.868 -0.112 0.000 1.264 182 T HN 0.555 nan 8.240 nan 0.000 0.497 183 N N 0.582 119.356 118.700 0.124 0.000 2.294 183 N HA 0.408 5.148 4.740 0.000 0.000 0.248 183 N C -0.654 174.967 175.510 0.185 0.000 1.300 183 N CA -0.726 52.416 53.050 0.153 0.000 0.925 183 N CB -0.027 38.511 38.487 0.084 0.000 1.188 183 N HN 0.334 nan 8.380 nan 0.000 0.512 184 L N -0.728 120.585 121.223 0.150 0.000 2.399 184 L HA 0.353 4.693 4.340 0.000 0.000 0.265 184 L C 0.668 177.585 176.870 0.078 0.000 1.089 184 L CA -0.543 54.350 54.840 0.090 0.000 0.802 184 L CB 0.960 43.078 42.059 0.100 0.000 1.180 184 L HN 0.711 nan 8.230 nan 0.000 0.454 185 S N 0.882 116.576 115.700 -0.009 0.000 2.465 185 S HA 0.139 4.609 4.470 0.000 0.000 0.280 185 S C 0.048 174.864 174.600 0.359 0.000 1.232 185 S CA -0.485 57.806 58.200 0.152 0.000 1.066 185 S CB -0.257 62.985 63.200 0.071 0.000 0.929 185 S HN 0.513 nan 8.310 nan 0.000 0.494 186 E N 2.989 123.387 120.200 0.329 0.000 2.425 186 E HA 0.066 4.416 4.350 0.000 0.000 0.258 186 E C 0.675 177.439 176.600 0.274 0.000 1.151 186 E CA -0.259 56.379 56.400 0.397 0.000 0.958 186 E CB 0.347 30.200 29.700 0.255 0.000 0.968 186 E HN 0.623 nan 8.360 nan 0.000 0.451 187 Q N 0.080 119.962 119.800 0.135 0.000 2.280 187 Q HA 0.150 4.491 4.340 0.000 0.000 0.244 187 Q C 0.268 176.275 176.000 0.011 0.000 0.847 187 Q CA 0.021 55.784 55.803 -0.067 0.000 0.945 187 Q CB 0.625 29.013 28.738 -0.584 0.000 1.115 187 Q HN 0.424 nan 8.270 nan 0.000 0.513 188 L N -0.275 120.980 121.223 0.054 0.000 2.543 188 L HA 0.264 4.604 4.340 0.000 0.000 0.231 188 L C 1.588 178.483 176.870 0.040 0.000 1.194 188 L CA 0.454 55.316 54.840 0.036 0.000 0.823 188 L CB -0.233 41.852 42.059 0.043 0.000 1.374 188 L HN 0.025 nan 8.230 nan 0.000 0.507 189 A N 0.386 123.207 122.820 0.002 0.000 1.911 189 A HA -0.042 4.278 4.320 0.000 0.000 0.212 189 A C 1.111 178.663 177.584 -0.054 0.000 1.189 189 A CA 0.518 52.527 52.037 -0.045 0.000 0.639 189 A CB -0.082 18.882 19.000 -0.059 0.000 0.839 189 A HN 0.639 nan 8.150 nan 0.000 0.449 190 K N 0.821 121.215 120.400 -0.010 0.000 2.231 190 K HA 0.500 4.820 4.320 0.000 0.000 0.275 190 K C -1.653 174.984 176.600 0.061 0.000 1.105 190 K CA -0.002 56.290 56.287 0.008 0.000 0.931 190 K CB 0.372 32.874 32.500 0.004 0.000 1.296 190 K HN 0.081 nan 8.250 nan 0.000 0.446 191 V N 4.690 124.671 119.914 0.112 0.000 3.147 191 V HA 0.093 4.213 4.120 0.000 0.000 0.306 191 V C 0.645 176.838 176.094 0.165 0.000 1.209 191 V CA -0.836 61.556 62.300 0.152 0.000 1.023 191 V CB 1.905 33.847 31.823 0.198 0.000 1.059 191 V HN 0.798 nan 8.190 nan 0.000 0.435 192 L N 3.605 124.897 121.223 0.115 0.000 2.042 192 L HA -0.092 4.248 4.340 0.000 0.000 0.210 192 L C 2.586 179.498 176.870 0.071 0.000 1.076 192 L CA 2.565 57.455 54.840 0.083 0.000 0.749 192 L CB -0.512 41.572 42.059 0.041 0.000 0.893 192 L HN 0.860 nan 8.230 nan 0.000 0.432 193 R N -1.783 118.745 120.500 0.047 0.000 2.293 193 R HA -0.186 4.154 4.340 0.000 0.000 0.219 193 R C 1.245 177.427 176.300 -0.196 0.000 1.091 193 R CA 1.649 57.703 56.100 -0.077 0.000 1.004 193 R CB -0.611 29.613 30.300 -0.126 0.000 0.865 193 R HN 0.356 nan 8.270 nan 0.000 0.469 194 F N -0.584 119.372 119.950 0.009 0.000 2.682 194 F HA 0.365 4.892 4.527 0.000 0.000 0.308 194 F C 1.609 177.411 175.800 0.005 0.000 1.093 194 F CA 0.608 58.607 58.000 -0.002 0.000 1.244 194 F CB 1.561 40.554 39.000 -0.011 0.000 1.052 194 F HN 0.330 nan 8.300 nan 0.000 0.573 195 G N 0.032 108.931 108.800 0.166 0.000 2.316 195 G HA2 -0.102 3.858 3.960 0.000 0.000 0.203 195 G HA3 -0.102 3.858 3.960 0.000 0.000 0.203 195 G C 0.471 175.429 174.900 0.097 0.000 0.999 195 G CA -0.353 44.814 45.100 0.112 0.000 0.649 195 G HN 0.499 nan 8.290 nan 0.000 0.489 196 A N 0.849 123.733 122.820 0.107 0.000 2.498 196 A HA 0.548 4.868 4.320 0.000 0.000 0.239 196 A C 0.862 178.491 177.584 0.075 0.000 1.068 196 A CA 1.305 53.388 52.037 0.076 0.000 0.766 196 A CB 0.081 19.122 19.000 0.068 0.000 1.003 196 A HN 1.456 nan 8.150 nan 0.000 0.497 197 N N -0.008 118.731 118.700 0.065 0.000 2.193 197 N HA 0.078 4.818 4.740 0.000 0.000 0.236 197 N C -0.637 174.911 175.510 0.063 0.000 1.347 197 N CA 0.214 53.305 53.050 0.069 0.000 0.812 197 N CB -0.423 38.111 38.487 0.079 0.000 1.297 197 N HN 0.636 nan 8.380 nan 0.000 0.499 198 D N -0.196 120.236 120.400 0.052 0.000 2.278 198 D HA -0.068 4.572 4.640 0.000 0.000 0.240 198 D C 1.393 177.723 176.300 0.050 0.000 1.347 198 D CA -0.116 53.912 54.000 0.046 0.000 0.945 198 D CB 0.596 41.417 40.800 0.035 0.000 1.175 198 D HN 0.000 nan 8.370 nan 0.000 0.519 199 Q N 0.072 119.899 119.800 0.045 0.000 2.014 199 Q HA -0.252 4.088 4.340 0.000 0.000 0.207 199 Q C 2.108 178.137 176.000 0.048 0.000 0.993 199 Q CA 3.222 59.054 55.803 0.048 0.000 0.850 199 Q CB -1.003 27.758 28.738 0.038 0.000 0.916 199 Q HN 0.620 nan 8.270 nan 0.000 0.417 200 S N -1.137 114.584 115.700 0.035 0.000 2.392 200 S HA -0.190 4.280 4.470 0.000 0.000 0.232 200 S C 1.988 176.609 174.600 0.035 0.000 1.041 200 S CA 1.606 59.822 58.200 0.028 0.000 1.026 200 S CB -0.946 62.264 63.200 0.016 0.000 0.845 200 S HN 0.237 nan 8.310 nan 0.000 0.465 201 V N 1.649 121.589 119.914 0.044 0.000 2.244 201 V HA -0.142 3.978 4.120 0.000 0.000 0.244 201 V C 2.734 178.860 176.094 0.053 0.000 1.042 201 V CA 1.769 64.098 62.300 0.050 0.000 1.006 201 V CB -0.838 31.018 31.823 0.055 0.000 0.641 201 V HN 0.513 nan 8.190 nan 0.000 0.446 202 V N 0.362 120.319 119.914 0.073 0.000 2.278 202 V HA -0.336 3.784 4.120 0.000 0.000 0.251 202 V C 2.283 178.454 176.094 0.128 0.000 1.062 202 V CA 2.332 64.700 62.300 0.114 0.000 1.038 202 V CB -0.940 30.965 31.823 0.136 0.000 0.646 202 V HN 0.559 nan 8.190 nan 0.000 0.447 203 D N -0.398 120.061 120.400 0.099 0.000 2.172 203 D HA -0.204 4.436 4.640 0.000 0.000 0.196 203 D C 2.323 178.690 176.300 0.112 0.000 0.999 203 D CA 1.450 55.509 54.000 0.099 0.000 0.856 203 D CB -0.296 40.539 40.800 0.059 0.000 0.934 203 D HN 0.379 nan 8.370 nan 0.000 0.453 204 R N -0.088 120.457 120.500 0.075 0.000 2.119 204 R HA -0.030 4.310 4.340 0.000 0.000 0.222 204 R C 1.906 178.281 176.300 0.125 0.000 1.088 204 R CA 0.335 56.482 56.100 0.078 0.000 0.984 204 R CB 0.080 30.406 30.300 0.043 0.000 0.884 204 R HN 0.113 nan 8.270 nan 0.000 0.447 205 L N 0.626 121.863 121.223 0.023 0.000 2.156 205 L HA -0.100 4.240 4.340 0.000 0.000 0.208 205 L C 2.214 179.128 176.870 0.073 0.000 1.095 205 L CA 1.354 56.117 54.840 -0.128 0.000 0.770 205 L CB -0.966 40.687 42.059 -0.676 0.000 0.914 205 L HN 0.229 nan 8.230 nan 0.000 0.439 206 I N -1.850 118.858 120.570 0.232 0.000 2.208 206 I HA -0.265 3.905 4.170 0.000 0.000 0.245 206 I C 1.613 177.852 176.117 0.205 0.000 1.097 206 I CA 0.677 62.157 61.300 0.300 0.000 1.363 206 I CB -0.165 37.984 38.000 0.248 0.000 1.051 206 I HN 0.299 nan 8.210 nan 0.000 0.413 210 D N 0.458 120.795 120.400 -0.105 0.000 2.271 210 D HA 0.001 4.641 4.640 0.000 0.000 0.206 210 D C 1.482 177.646 176.300 -0.225 0.000 0.967 210 D CA 1.409 55.340 54.000 -0.115 0.000 0.867 210 D CB 0.905 41.666 40.800 -0.065 0.000 0.960 210 D HN 0.189 nan 8.370 nan 0.000 0.509 211 V N -0.619 118.994 119.914 -0.501 0.000 3.161 211 V HA 0.094 4.214 4.120 0.000 0.000 0.221 211 V C 1.845 177.470 176.094 -0.782 0.000 1.296 211 V CA -0.028 61.925 62.300 -0.578 0.000 1.306 211 V CB -0.291 31.106 31.823 -0.710 0.000 1.171 211 V HN -0.002 nan 8.190 nan 0.000 0.513 212 L N 2.216 122.770 121.223 -1.115 0.000 1.989 212 L HA 0.149 4.489 4.340 0.000 0.000 0.211 212 L C 2.359 178.761 176.870 -0.780 0.000 1.071 212 L CA 3.057 57.346 54.840 -0.919 0.000 0.749 212 L CB -1.363 40.178 42.059 -0.863 0.000 0.890 212 L HN 0.426 nan 8.230 nan 0.000 0.431 213 G N -0.363 107.890 108.800 -0.911 0.000 2.545 213 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 213 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 213 G C -0.679 173.579 174.900 -1.070 0.000 1.218 213 G CA 1.060 45.252 45.100 -1.513 0.000 0.787 213 G HN 0.417 nan 8.290 nan 0.000 0.571 214 P HA 0.004 nan 4.420 nan 0.000 0.222 214 P C 1.968 179.199 177.300 -0.117 0.000 1.147 214 P CA 0.381 63.415 63.100 -0.109 0.000 0.790 214 P CB -0.018 31.727 31.700 0.075 0.000 0.780 215 L N -1.048 119.843 121.223 -0.553 0.000 2.007 215 L HA -0.139 4.201 4.340 0.000 0.000 0.205 215 L C 1.953 178.569 176.870 -0.423 0.000 1.073 215 L CA 1.477 55.786 54.840 -0.886 0.000 0.744 215 L CB -0.824 40.562 42.059 -1.122 0.000 0.898 215 L HN -0.094 nan 8.230 nan 0.000 0.435 216 L N 0.009 120.981 121.223 -0.418 0.000 2.081 216 L HA -0.321 4.019 4.340 0.000 0.000 0.212 216 L C 2.638 179.553 176.870 0.076 0.000 1.080 216 L CA 1.903 56.567 54.840 -0.293 0.000 0.754 216 L CB -1.678 39.849 42.059 -0.887 0.000 0.893 216 L HN 0.473 nan 8.230 nan 0.000 0.433 217 H N -0.182 118.898 119.070 0.017 0.000 2.267 217 H HA -0.176 4.380 4.556 0.000 0.000 0.297 217 H C 1.588 177.010 175.328 0.157 0.000 1.080 217 H CA 2.114 58.281 56.048 0.199 0.000 1.278 217 H CB 0.222 30.124 29.762 0.234 0.000 1.365 217 H HN 0.297 nan 8.280 nan 0.000 0.489 218 D N 1.183 121.630 120.400 0.079 0.000 2.144 218 D HA 0.030 4.671 4.640 0.000 0.000 0.200 218 D C 1.314 177.705 176.300 0.151 0.000 0.978 218 D CA 0.873 54.922 54.000 0.082 0.000 0.833 218 D CB -0.637 40.350 40.800 0.312 0.000 0.961 218 D HN 0.490 nan 8.370 nan 0.000 0.470 222 F N 1.475 121.372 119.950 -0.089 0.000 2.692 222 F HA 0.431 4.958 4.527 0.000 0.000 0.303 222 F C 0.970 176.692 175.800 -0.131 0.000 1.114 222 F CA -0.277 57.712 58.000 -0.019 0.000 1.361 222 F CB 0.597 39.676 39.000 0.132 0.000 1.063 222 F HN 0.228 nan 8.300 nan 0.000 0.550 223 C N 3.038 122.214 119.300 -0.206 0.000 3.328 223 C HA 0.368 4.828 4.460 0.000 0.000 0.230 223 C C -0.876 173.988 174.990 -0.210 0.000 1.232 223 C CA -1.641 57.131 59.018 -0.410 0.000 1.431 223 C CB -0.711 26.514 27.740 -0.858 0.000 1.818 223 C HN 0.153 nan 8.230 nan 0.000 0.484 224 P HA -0.131 nan 4.420 nan 0.000 0.217 224 P C 1.228 178.485 177.300 -0.071 0.000 1.151 224 P CA 1.650 64.701 63.100 -0.082 0.000 0.828 224 P CB 0.124 31.797 31.700 -0.044 0.000 0.788 225 E N 0.765 120.934 120.200 -0.052 0.000 2.479 225 E HA 0.127 4.477 4.350 0.000 0.000 0.193 225 E C 0.945 177.518 176.600 -0.044 0.000 1.049 225 E CA 0.689 57.069 56.400 -0.034 0.000 0.870 225 E CB -0.703 28.995 29.700 -0.003 0.000 0.944 225 E HN 0.197 nan 8.360 nan 0.000 0.492 226 G N 0.923 109.675 108.800 -0.081 0.000 2.828 226 G HA2 -0.236 3.724 3.960 0.000 0.000 0.463 226 G HA3 -0.236 3.724 3.960 0.000 0.000 0.463 226 G C -0.586 174.293 174.900 -0.034 0.000 1.394 226 G CA -0.133 44.915 45.100 -0.088 0.000 0.862 226 G HN 0.246 nan 8.290 nan 0.000 0.540 227 I N 0.615 121.174 120.570 -0.018 0.000 2.377 227 I HA 0.276 4.446 4.170 0.000 0.000 0.293 227 I C -0.328 175.816 176.117 0.045 0.000 0.987 227 I CA -0.562 60.766 61.300 0.046 0.000 1.185 227 I CB 1.782 39.829 38.000 0.077 0.000 1.341 227 I HN 0.525 nan 8.210 nan 0.000 0.455 228 D N 6.438 126.878 120.400 0.067 0.000 2.393 228 D HA 0.108 4.748 4.640 0.000 0.000 0.232 228 D C 0.606 176.968 176.300 0.103 0.000 1.192 228 D CA -0.184 53.853 54.000 0.061 0.000 0.882 228 D CB 1.120 41.950 40.800 0.049 0.000 1.038 228 D HN 0.270 nan 8.370 nan 0.000 0.499 229 L N 4.230 125.520 121.223 0.111 0.000 2.109 229 L HA 0.048 4.388 4.340 0.000 0.000 0.207 229 L C 2.388 179.370 176.870 0.187 0.000 1.086 229 L CA 1.119 56.093 54.840 0.225 0.000 0.760 229 L CB -0.630 41.538 42.059 0.182 0.000 0.910 229 L HN 0.456 nan 8.230 nan 0.000 0.437 230 R N -0.688 119.861 120.500 0.082 0.000 2.075 230 R HA -0.089 4.251 4.340 0.000 0.000 0.232 230 R C 1.229 177.540 176.300 0.017 0.000 1.126 230 R CA 0.506 56.631 56.100 0.041 0.000 0.963 230 R CB -0.236 30.100 30.300 0.059 0.000 0.858 230 R HN 0.201 nan 8.270 nan 0.000 0.435 234 S N 0.021 115.620 115.700 -0.169 0.000 2.400 234 S HA -0.190 4.280 4.470 0.000 0.000 0.232 234 S C 1.677 176.138 174.600 -0.231 0.000 1.025 234 S CA 1.593 59.702 58.200 -0.152 0.000 0.993 234 S CB -0.689 62.435 63.200 -0.126 0.000 0.808 234 S HN 0.738 nan 8.310 nan 0.000 0.478 235 Q N 1.316 121.011 119.800 -0.175 0.000 2.046 235 Q HA 0.092 4.432 4.340 0.000 0.000 0.200 235 Q C 2.673 178.646 176.000 -0.045 0.000 0.975 235 Q CA 1.443 57.177 55.803 -0.114 0.000 0.836 235 Q CB -0.585 28.128 28.738 -0.041 0.000 0.896 235 Q HN 0.745 nan 8.270 nan 0.000 0.428 236 A N 0.814 123.578 122.820 -0.094 0.000 1.940 236 A HA -0.161 4.159 4.320 0.000 0.000 0.219 236 A C 1.955 179.521 177.584 -0.030 0.000 1.176 236 A CA 1.014 53.009 52.037 -0.070 0.000 0.631 236 A CB -0.610 18.281 19.000 -0.181 0.000 0.814 236 A HN 0.309 nan 8.150 nan 0.000 0.446 237 L N -0.627 120.570 121.223 -0.043 0.000 2.362 237 L HA -0.072 4.268 4.340 0.000 0.000 0.219 237 L C 1.084 178.059 176.870 0.176 0.000 1.134 237 L CA 1.010 55.877 54.840 0.045 0.000 0.807 237 L CB -1.029 41.058 42.059 0.047 0.000 0.927 237 L HN 0.543 nan 8.230 nan 0.000 0.447 241 D N 0.206 120.631 120.400 0.041 0.000 2.217 241 D HA 0.549 5.189 4.640 0.000 0.000 0.248 241 D C 0.813 177.133 176.300 0.033 0.000 1.008 241 D CA -0.447 53.579 54.000 0.044 0.000 0.914 241 D CB 1.389 42.201 40.800 0.020 0.000 1.182 241 D HN 0.137 nan 8.370 nan 0.000 0.451 242 E N 0.035 120.270 120.200 0.057 0.000 2.758 242 E HA 0.207 4.557 4.350 0.000 0.000 0.215 242 E C 0.123 176.773 176.600 0.083 0.000 0.985 242 E CA -0.320 56.120 56.400 0.067 0.000 1.102 242 E CB -0.607 29.151 29.700 0.098 0.000 1.042 242 E HN 0.448 nan 8.360 nan 0.000 0.480 243 C N 0.308 119.638 119.300 0.051 0.000 4.265 243 C HA -0.244 4.216 4.460 0.000 0.000 0.287 243 C C 1.287 176.436 174.990 0.266 0.000 1.451 243 C CA 1.876 60.933 59.018 0.065 0.000 1.966 243 C CB -2.978 24.623 27.740 -0.232 0.000 1.302 243 C HN 0.890 nan 8.230 nan 0.000 0.794 244 H N -1.074 118.091 119.070 0.159 0.000 2.074 244 H HA 0.101 4.657 4.556 0.000 0.000 0.198 244 H C 1.881 177.334 175.328 0.208 0.000 0.938 244 H CA 0.243 56.398 56.048 0.178 0.000 1.125 244 H CB 0.103 29.946 29.762 0.135 0.000 1.195 244 H HN 0.295 nan 8.280 nan 0.000 0.430 245 N N 0.636 119.496 118.700 0.267 0.000 2.395 245 N HA -0.027 4.713 4.740 0.000 0.000 0.175 245 N C 0.338 175.977 175.510 0.215 0.000 1.029 245 N CA 0.426 53.587 53.050 0.185 0.000 0.897 245 N CB 0.620 39.122 38.487 0.025 0.000 0.991 245 N HN 0.220 nan 8.380 nan 0.000 0.441 246 R N 1.551 122.169 120.500 0.197 0.000 2.320 246 R HA 0.253 4.593 4.340 0.000 0.000 0.319 246 R C -0.496 175.925 176.300 0.202 0.000 0.969 246 R CA -0.200 56.008 56.100 0.180 0.000 0.857 246 R CB 0.312 30.689 30.300 0.127 0.000 1.160 246 R HN -0.031 nan 8.270 nan 0.000 0.491 247 N N 3.264 122.109 118.700 0.242 0.000 2.234 247 N HA -0.000 4.740 4.740 0.000 0.000 0.227 247 N C 1.117 176.770 175.510 0.239 0.000 1.151 247 N CA 0.141 53.356 53.050 0.275 0.000 0.865 247 N CB 1.042 39.711 38.487 0.303 0.000 1.066 247 N HN 0.285 nan 8.380 nan 0.000 0.515 248 V N 1.512 121.537 119.914 0.184 0.000 2.231 248 V HA -0.282 3.838 4.120 0.000 0.000 0.248 248 V C 2.583 178.769 176.094 0.154 0.000 1.054 248 V CA 2.418 64.809 62.300 0.153 0.000 1.015 248 V CB -0.804 31.088 31.823 0.114 0.000 0.638 248 V HN 0.315 nan 8.190 nan 0.000 0.444 249 A N 0.325 123.227 122.820 0.137 0.000 1.930 249 A HA -0.034 4.286 4.320 0.000 0.000 0.217 249 A C 2.406 180.096 177.584 0.177 0.000 1.175 249 A CA 1.844 53.956 52.037 0.125 0.000 0.627 249 A CB -1.259 17.795 19.000 0.089 0.000 0.815 249 A HN 0.562 nan 8.150 nan 0.000 0.443 250 G N -0.571 108.372 108.800 0.238 0.000 2.446 250 G HA2 -0.190 3.770 3.960 0.000 0.000 0.217 250 G HA3 -0.190 3.770 3.960 0.000 0.000 0.217 250 G C 1.850 177.012 174.900 0.437 0.000 1.168 250 G CA 1.374 46.742 45.100 0.447 0.000 0.771 250 G HN 0.484 nan 8.290 nan 0.000 0.551 251 S N 0.520 116.417 115.700 0.329 0.000 2.368 251 S HA -0.130 4.340 4.470 0.000 0.000 0.224 251 S C 2.703 177.428 174.600 0.208 0.000 1.029 251 S CA 1.929 60.289 58.200 0.266 0.000 0.988 251 S CB -0.586 62.753 63.200 0.232 0.000 0.838 251 S HN 0.656 nan 8.310 nan 0.000 0.462 252 T N 2.201 116.854 114.554 0.165 0.000 2.759 252 T HA -0.007 4.343 4.350 0.000 0.000 0.269 252 T C 1.741 176.516 174.700 0.126 0.000 1.042 252 T CA 0.981 63.151 62.100 0.118 0.000 1.140 252 T CB -0.591 68.329 68.868 0.088 0.000 0.864 252 T HN 0.246 nan 8.240 nan 0.000 0.455 253 L N 0.048 121.371 121.223 0.166 0.000 2.056 253 L HA 0.068 4.408 4.340 0.000 0.000 0.207 253 L C 2.765 179.746 176.870 0.185 0.000 1.078 253 L CA 0.799 55.737 54.840 0.164 0.000 0.749 253 L CB -0.610 41.563 42.059 0.189 0.000 0.901 253 L HN 0.212 nan 8.230 nan 0.000 0.433 254 L N 0.271 121.634 121.223 0.233 0.000 2.017 254 L HA -0.169 4.171 4.340 0.000 0.000 0.208 254 L C 2.693 179.683 176.870 0.200 0.000 1.073 254 L CA 2.192 57.173 54.840 0.235 0.000 0.745 254 L CB -0.268 41.941 42.059 0.250 0.000 0.894 254 L HN 0.298 nan 8.230 nan 0.000 0.432 255 V N -1.529 118.480 119.914 0.159 0.000 2.809 255 V HA -0.255 3.865 4.120 0.000 0.000 0.256 255 V C 2.268 178.416 176.094 0.090 0.000 1.080 255 V CA 1.787 64.147 62.300 0.099 0.000 1.102 255 V CB -0.534 31.302 31.823 0.023 0.000 0.705 255 V HN 0.669 nan 8.190 nan 0.000 0.475 256 Q N 0.916 120.765 119.800 0.082 0.000 2.046 256 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 256 Q C 2.253 178.293 176.000 0.067 0.000 0.975 256 Q CA 2.305 58.137 55.803 0.049 0.000 0.836 256 Q CB -0.574 28.189 28.738 0.043 0.000 0.896 256 Q HN 0.698 nan 8.270 nan 0.000 0.428 257 A N 0.745 123.638 122.820 0.121 0.000 1.940 257 A HA -0.134 4.186 4.320 0.000 0.000 0.219 257 A C 2.010 179.729 177.584 0.225 0.000 1.176 257 A CA 1.427 53.562 52.037 0.164 0.000 0.631 257 A CB -0.637 18.490 19.000 0.212 0.000 0.814 257 A HN 0.488 nan 8.150 nan 0.000 0.446 258 L N -1.363 120.002 121.223 0.237 0.000 2.418 258 L HA -0.045 4.295 4.340 0.000 0.000 0.218 258 L C 2.563 179.559 176.870 0.209 0.000 1.125 258 L CA 0.959 55.979 54.840 0.301 0.000 0.835 258 L CB -0.600 41.600 42.059 0.234 0.000 0.953 258 L HN 0.293 nan 8.230 nan 0.000 0.454 259 T N 0.922 115.552 114.554 0.128 0.000 2.643 259 T HA -0.083 4.267 4.350 0.000 0.000 0.264 259 T C -0.343 174.387 174.700 0.051 0.000 1.045 259 T CA 1.682 63.863 62.100 0.136 0.000 1.155 259 T CB -0.865 68.041 68.868 0.064 0.000 0.863 259 T HN 0.261 nan 8.240 nan 0.000 0.420 260 P HA -0.079 nan 4.420 nan 0.000 0.215 260 P C 0.449 177.644 177.300 -0.176 0.000 1.153 260 P CA 1.116 64.103 63.100 -0.188 0.000 0.853 260 P CB -0.266 31.227 31.700 -0.344 0.000 0.788 264 Q N 0.324 119.965 119.800 -0.264 0.000 2.444 264 Q HA 0.108 4.448 4.340 0.000 0.000 0.206 264 Q C 1.082 176.765 176.000 -0.529 0.000 0.948 264 Q CA 0.739 56.221 55.803 -0.535 0.000 0.946 264 Q CB 0.505 28.622 28.738 -1.035 0.000 1.027 264 Q HN 0.590 nan 8.270 nan 0.000 0.513 265 T N 0.020 114.457 114.554 -0.195 0.000 2.793 265 T HA 0.016 4.366 4.350 0.000 0.000 0.299 265 T C 0.253 175.062 174.700 0.182 0.000 1.038 265 T CA -0.341 61.813 62.100 0.091 0.000 0.948 265 T CB 0.519 69.477 68.868 0.151 0.000 1.231 265 T HN -0.046 nan 8.240 nan 0.000 0.538 266 D N 0.183 120.778 120.400 0.325 0.000 2.388 266 D HA 0.261 4.901 4.640 0.000 0.000 0.221 266 D C -0.585 175.694 176.300 -0.035 0.000 1.133 266 D CA 0.128 54.186 54.000 0.096 0.000 0.831 266 D CB -0.154 40.633 40.800 -0.023 0.000 0.962 266 D HN 0.297 nan 8.370 nan 0.000 0.502 267 F N 0.791 120.719 119.950 -0.036 0.000 2.425 267 F HA 0.246 4.773 4.527 0.000 0.000 0.331 267 F C 1.355 177.125 175.800 -0.049 0.000 1.085 267 F CA -1.194 56.772 58.000 -0.057 0.000 1.028 267 F CB 1.088 40.031 39.000 -0.096 0.000 1.177 267 F HN -0.267 nan 8.300 nan 0.000 0.487 268 S N 2.519 118.277 115.700 0.097 0.000 2.584 268 S HA 0.200 4.670 4.470 0.000 0.000 0.270 268 S C 1.290 175.927 174.600 0.061 0.000 1.346 268 S CA -0.965 57.267 58.200 0.054 0.000 1.018 268 S CB 0.989 64.206 63.200 0.028 0.000 0.899 268 S HN 0.604 nan 8.310 nan 0.000 0.542 269 R N 1.545 122.075 120.500 0.051 0.000 2.097 269 R HA -0.178 4.162 4.340 0.000 0.000 0.236 269 R C 2.159 178.492 176.300 0.056 0.000 1.135 269 R CA 1.936 58.072 56.100 0.059 0.000 0.934 269 R CB -1.677 28.658 30.300 0.058 0.000 0.846 269 R HN 0.906 nan 8.270 nan 0.000 0.431 270 E N 1.371 121.602 120.200 0.051 0.000 2.149 270 E HA -0.279 4.071 4.350 0.000 0.000 0.215 270 E C 2.026 178.661 176.600 0.057 0.000 1.055 270 E CA 2.343 58.775 56.400 0.053 0.000 0.870 270 E CB -0.190 29.537 29.700 0.045 0.000 0.764 270 E HN 0.518 nan 8.360 nan 0.000 0.463 271 Q N -1.141 118.691 119.800 0.054 0.000 2.123 271 Q HA -0.081 4.259 4.340 0.000 0.000 0.199 271 Q C 2.088 178.062 176.000 -0.043 0.000 0.966 271 Q CA 0.899 56.730 55.803 0.047 0.000 0.845 271 Q CB -0.061 28.735 28.738 0.096 0.000 0.907 271 Q HN 0.260 nan 8.270 nan 0.000 0.439 272 L N 1.338 122.512 121.223 -0.082 0.000 2.079 272 L HA -0.183 4.157 4.340 0.000 0.000 0.210 272 L C 2.155 178.838 176.870 -0.311 0.000 1.081 272 L CA 1.753 56.412 54.840 -0.302 0.000 0.752 272 L CB -0.875 41.078 42.059 -0.175 0.000 0.896 272 L HN 0.173 nan 8.230 nan 0.000 0.433 273 K N 0.114 120.508 120.400 -0.009 0.000 2.001 273 K HA -0.188 4.132 4.320 0.000 0.000 0.208 273 K C 1.920 178.579 176.600 0.099 0.000 1.048 273 K CA 1.570 57.928 56.287 0.119 0.000 0.932 273 K CB 0.074 32.644 32.500 0.116 0.000 0.715 273 K HN 0.514 nan 8.250 nan 0.000 0.437 274 E N -0.032 120.223 120.200 0.092 0.000 2.204 274 E HA -0.143 4.207 4.350 0.000 0.000 0.195 274 E C 1.811 178.532 176.600 0.201 0.000 0.990 274 E CA 1.043 57.527 56.400 0.140 0.000 0.821 274 E CB -0.088 29.723 29.700 0.184 0.000 0.750 274 E HN 0.062 nan 8.360 nan 0.000 0.477 275 V N 0.633 120.606 119.914 0.099 0.000 2.407 275 V HA -0.179 3.941 4.120 0.000 0.000 0.245 275 V C 1.902 178.019 176.094 0.038 0.000 1.041 275 V CA 1.371 63.707 62.300 0.061 0.000 1.040 275 V CB -0.529 31.135 31.823 -0.265 0.000 0.671 275 V HN 0.147 nan 8.190 nan 0.000 0.455 276 F N 0.860 120.852 119.950 0.070 0.000 2.102 276 F HA -0.112 4.415 4.527 0.000 0.000 0.298 276 F C 2.479 178.297 175.800 0.030 0.000 1.105 276 F CA 1.262 59.272 58.000 0.017 0.000 1.239 276 F CB -0.906 38.094 39.000 0.000 0.000 0.991 276 F HN 0.209 nan 8.300 nan 0.000 0.474 277 E N -0.484 119.859 120.200 0.238 0.000 2.070 277 E HA -0.290 4.060 4.350 0.000 0.000 0.197 277 E C 2.194 178.870 176.600 0.125 0.000 1.004 277 E CA 1.770 58.256 56.400 0.143 0.000 0.805 277 E CB -0.653 29.110 29.700 0.106 0.000 0.744 277 E HN 0.355 nan 8.360 nan 0.000 0.451 278 F N 1.649 121.599 119.950 0.000 0.000 2.043 278 F HA -0.236 4.291 4.527 0.000 0.000 0.297 278 F C 2.159 177.948 175.800 -0.018 0.000 1.121 278 F CA 1.518 59.505 58.000 -0.023 0.000 1.199 278 F CB -0.385 38.638 39.000 0.039 0.000 0.968 278 F HN -0.082 nan 8.300 nan 0.000 0.478 279 L N -0.326 120.885 121.223 -0.020 0.000 2.129 279 L HA -0.192 4.148 4.340 0.000 0.000 0.212 279 L C 2.442 179.214 176.870 -0.164 0.000 1.087 279 L CA 1.361 56.045 54.840 -0.260 0.000 0.757 279 L CB -1.419 40.494 42.059 -0.243 0.000 0.896 279 L HN 0.380 nan 8.230 nan 0.000 0.434 280 G N -2.093 106.673 108.800 -0.055 0.000 3.088 280 G HA2 -0.076 3.884 3.960 0.000 0.000 0.212 280 G HA3 -0.076 3.884 3.960 0.000 0.000 0.212 280 G C 1.555 176.432 174.900 -0.039 0.000 1.173 280 G CA 0.447 45.532 45.100 -0.024 0.000 0.779 280 G HN 0.235 nan 8.290 nan 0.000 0.540 281 S N -0.216 115.425 115.700 -0.099 0.000 2.414 281 S HA 0.136 4.606 4.470 0.000 0.000 0.227 281 S C 1.303 175.867 174.600 -0.060 0.000 1.022 281 S CA 1.020 59.161 58.200 -0.098 0.000 0.958 281 S CB -0.025 63.055 63.200 -0.198 0.000 0.797 281 S HN 0.655 nan 8.310 nan 0.000 0.493 282 S N 0.043 115.717 115.700 -0.044 0.000 2.615 282 S HA 0.396 4.866 4.470 0.000 0.000 0.269 282 S C -0.778 173.880 174.600 0.096 0.000 1.161 282 S CA -0.243 57.980 58.200 0.039 0.000 0.817 282 S CB 1.165 64.407 63.200 0.071 0.000 1.131 282 S HN 0.200 nan 8.310 nan 0.000 0.467 283 D N -0.396 120.092 120.400 0.147 0.000 2.340 283 D HA 0.034 4.674 4.640 0.000 0.000 0.220 283 D C 0.760 177.203 176.300 0.239 0.000 1.039 283 D CA 0.043 54.148 54.000 0.174 0.000 0.866 283 D CB -0.377 40.519 40.800 0.160 0.000 0.913 283 D HN 0.540 nan 8.370 nan 0.000 0.523 284 Y N -0.057 120.323 120.300 0.132 0.000 2.529 284 Y HA 0.134 4.684 4.550 0.000 0.000 0.290 284 Y C 1.228 177.201 175.900 0.120 0.000 1.177 284 Y CA -0.438 57.741 58.100 0.131 0.000 1.305 284 Y CB -0.365 38.165 38.460 0.118 0.000 1.047 284 Y HN -0.014 nan 8.280 nan 0.000 0.522 285 F N 0.618 120.513 119.950 -0.093 0.000 2.126 285 F HA -0.234 4.293 4.527 0.000 0.000 0.299 285 F C 2.523 178.179 175.800 -0.240 0.000 1.096 285 F CA 2.036 59.953 58.000 -0.139 0.000 1.255 285 F CB -0.480 38.487 39.000 -0.055 0.000 0.997 285 F HN 0.140 nan 8.300 nan 0.000 0.479 286 S N -0.536 115.032 115.700 -0.221 0.000 2.558 286 S HA 0.154 4.624 4.470 0.000 0.000 0.217 286 S C 2.278 176.401 174.600 -0.796 0.000 0.975 286 S CA 0.246 58.123 58.200 -0.537 0.000 0.912 286 S CB -0.971 62.015 63.200 -0.357 0.000 0.776 286 S HN 0.437 nan 8.310 nan 0.000 0.526 287 G N 3.472 111.895 108.800 -0.628 0.000 2.681 287 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 287 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 287 G C -0.645 173.943 174.900 -0.520 0.000 1.210 287 G CA 1.449 46.218 45.100 -0.552 0.000 0.783 287 G HN 0.556 nan 8.290 nan 0.000 0.609 288 P HA -0.020 nan 4.420 nan 0.000 0.217 288 P C 2.065 178.960 177.300 -0.676 0.000 1.150 288 P CA 1.982 64.786 63.100 -0.493 0.000 0.832 288 P CB -0.378 31.071 31.700 -0.418 0.000 0.787 289 T N -1.794 112.185 114.554 -0.960 0.000 2.737 289 T HA -0.198 4.152 4.350 0.000 0.000 0.269 289 T C 0.818 175.082 174.700 -0.727 0.000 1.040 289 T CA 1.013 62.485 62.100 -1.047 0.000 1.142 289 T CB -0.913 67.278 68.868 -1.128 0.000 0.861 289 T HN 0.191 nan 8.240 nan 0.000 0.456 293 A N 1.411 124.138 122.820 -0.155 0.000 1.877 293 A HA 0.361 4.681 4.320 0.000 0.000 0.216 293 A C 2.744 180.177 177.584 -0.252 0.000 1.186 293 A CA 2.810 54.761 52.037 -0.144 0.000 0.620 293 A CB -0.902 18.080 19.000 -0.029 0.000 0.822 293 A HN 1.381 nan 8.150 nan 0.000 0.443 294 A N 0.016 122.660 122.820 -0.293 0.000 1.877 294 A HA -0.183 4.137 4.320 0.000 0.000 0.216 294 A C 2.081 179.588 177.584 -0.129 0.000 1.186 294 A CA 2.481 54.304 52.037 -0.357 0.000 0.620 294 A CB -0.451 18.440 19.000 -0.183 0.000 0.822 294 A HN 0.507 nan 8.150 nan 0.000 0.443 295 K N -0.014 120.331 120.400 -0.092 0.000 2.057 295 K HA -0.158 4.162 4.320 0.000 0.000 0.207 295 K C 1.988 178.566 176.600 -0.038 0.000 1.049 295 K CA 1.838 58.104 56.287 -0.036 0.000 0.931 295 K CB -1.284 31.175 32.500 -0.069 0.000 0.714 295 K HN 0.472 nan 8.250 nan 0.000 0.440 296 C N 0.277 119.529 119.300 -0.080 0.000 2.413 296 C HA -0.004 4.456 4.460 0.000 0.000 0.276 296 C C 2.662 177.649 174.990 -0.004 0.000 1.236 296 C CA 1.467 60.445 59.018 -0.066 0.000 1.735 296 C CB -1.357 26.322 27.740 -0.101 0.000 2.031 296 C HN 0.598 nan 8.230 nan 0.000 0.474 297 A N 0.082 122.904 122.820 0.004 0.000 1.873 297 A HA 0.013 4.333 4.320 0.000 0.000 0.215 297 A C 2.149 179.804 177.584 0.119 0.000 1.186 297 A CA 1.672 53.770 52.037 0.102 0.000 0.616 297 A CB -0.714 18.390 19.000 0.174 0.000 0.823 297 A HN 0.653 nan 8.150 nan 0.000 0.442 298 L N -0.386 120.900 121.223 0.105 0.000 2.201 298 L HA -0.151 4.189 4.340 0.000 0.000 0.212 298 L C 1.801 178.698 176.870 0.044 0.000 1.105 298 L CA 0.996 55.887 54.840 0.086 0.000 0.775 298 L CB -0.459 41.645 42.059 0.077 0.000 0.913 298 L HN 0.268 nan 8.230 nan 0.000 0.440 299 D N 0.285 120.707 120.400 0.035 0.000 2.117 299 D HA -0.145 4.495 4.640 0.000 0.000 0.198 299 D C 2.309 178.636 176.300 0.045 0.000 0.982 299 D CA 1.407 55.433 54.000 0.043 0.000 0.828 299 D CB -0.103 40.716 40.800 0.032 0.000 0.967 299 D HN 0.273 nan 8.370 nan 0.000 0.464 300 A N 0.571 123.403 122.820 0.020 0.000 1.986 300 A HA -0.090 4.230 4.320 0.000 0.000 0.220 300 A C 2.274 179.779 177.584 -0.131 0.000 1.171 300 A CA 2.029 54.021 52.037 -0.075 0.000 0.640 300 A CB -0.982 17.982 19.000 -0.060 0.000 0.811 300 A HN 0.317 nan 8.150 nan 0.000 0.451 301 G N -2.360 106.417 108.800 -0.038 0.000 2.813 301 G HA2 0.065 4.025 3.960 0.000 0.000 0.209 301 G HA3 0.065 4.025 3.960 0.000 0.000 0.209 301 G C 0.605 175.529 174.900 0.040 0.000 1.150 301 G CA 0.242 45.328 45.100 -0.024 0.000 0.785 301 G HN 0.731 nan 8.290 nan 0.000 0.535 302 H N 0.371 119.401 119.070 -0.067 0.000 2.505 302 H HA 0.152 4.708 4.556 0.000 0.000 0.355 302 H C 0.385 175.675 175.328 -0.064 0.000 1.179 302 H CA -0.628 55.383 56.048 -0.061 0.000 1.343 302 H CB 0.470 30.195 29.762 -0.062 0.000 1.501 302 H HN 0.080 nan 8.280 nan 0.000 0.569 303 N N 1.566 119.960 118.700 -0.509 0.000 2.776 303 N HA -0.174 4.566 4.740 0.000 0.000 0.249 303 N C -1.167 174.232 175.510 -0.185 0.000 1.111 303 N CA 0.561 53.384 53.050 -0.378 0.000 0.711 303 N CB -1.362 36.948 38.487 -0.295 0.000 1.065 303 N HN 0.184 nan 8.380 nan 0.000 0.556 304 V N 0.999 120.831 119.914 -0.137 0.000 2.364 304 V HA 0.124 4.244 4.120 0.000 0.000 0.272 304 V C 1.028 177.074 176.094 -0.081 0.000 1.036 304 V CA -0.671 61.573 62.300 -0.094 0.000 0.880 304 V CB 1.675 33.454 31.823 -0.074 0.000 0.991 304 V HN 0.146 nan 8.190 nan 0.000 0.460 305 E N 5.294 125.451 120.200 -0.072 0.000 2.608 305 E HA -0.113 4.237 4.350 0.000 0.000 0.259 305 E C 0.569 177.138 176.600 -0.052 0.000 0.951 305 E CA 0.452 56.816 56.400 -0.060 0.000 0.945 305 E CB 0.122 29.792 29.700 -0.049 0.000 0.916 305 E HN 0.764 nan 8.360 nan 0.000 0.477 306 N N 1.193 119.865 118.700 -0.047 0.000 2.965 306 N HA -0.200 4.540 4.740 0.000 0.000 0.232 306 N C -0.505 174.978 175.510 -0.044 0.000 0.913 306 N CA 1.232 54.256 53.050 -0.043 0.000 0.981 306 N CB -1.379 37.083 38.487 -0.043 0.000 1.077 306 N HN 0.359 nan 8.380 nan 0.000 0.589 307 S N 0.464 116.138 115.700 -0.042 0.000 2.531 307 S HA 0.312 4.782 4.470 0.000 0.000 0.279 307 S C 1.362 175.951 174.600 -0.019 0.000 1.305 307 S CA 0.530 58.710 58.200 -0.034 0.000 1.058 307 S CB 0.654 63.837 63.200 -0.028 0.000 0.899 307 S HN 0.325 nan 8.310 nan 0.000 0.493 308 T N 3.100 117.644 114.554 -0.017 0.000 3.206 308 T HA 0.355 4.705 4.350 0.000 0.000 0.253 308 T C 0.430 175.147 174.700 0.028 0.000 1.042 308 T CA -0.233 61.867 62.100 -0.000 0.000 0.931 308 T CB -0.633 68.233 68.868 -0.004 0.000 1.029 308 T HN 0.522 nan 8.240 nan 0.000 0.564 309 I N 1.974 122.562 120.570 0.030 0.000 2.428 309 I HA 0.239 4.409 4.170 0.000 0.000 0.289 309 I C 0.109 176.266 176.117 0.067 0.000 1.019 309 I CA -0.967 60.363 61.300 0.051 0.000 1.351 309 I CB 1.539 39.561 38.000 0.036 0.000 1.412 309 I HN -0.019 nan 8.210 nan 0.000 0.513 310 V N 5.496 125.462 119.914 0.087 0.000 2.508 310 V HA 0.038 4.158 4.120 0.000 0.000 0.281 310 V C 1.154 177.275 176.094 0.044 0.000 1.041 310 V CA 0.216 62.563 62.300 0.078 0.000 1.016 310 V CB 0.939 32.840 31.823 0.131 0.000 0.984 310 V HN 0.964 nan 8.190 nan 0.000 0.478 311 T N -0.139 114.412 114.554 -0.006 0.000 3.054 311 T HA 0.240 4.590 4.350 0.000 0.000 0.255 311 T C 0.584 175.200 174.700 -0.139 0.000 1.035 311 T CA 0.085 62.146 62.100 -0.065 0.000 0.941 311 T CB 0.369 69.171 68.868 -0.111 0.000 1.026 311 T HN 0.601 nan 8.240 nan 0.000 0.533 315 R N 1.084 121.351 120.500 -0.389 0.000 2.663 315 R HA 0.525 4.865 4.340 0.000 0.000 0.267 315 R C -1.234 174.982 176.300 -0.140 0.000 1.038 315 R CA -0.089 55.843 56.100 -0.281 0.000 0.886 315 R CB 0.965 31.150 30.300 -0.193 0.000 1.249 315 R HN 1.099 nan 8.270 nan 0.000 0.463 316 N N -0.455 118.179 118.700 -0.109 0.000 2.282 316 N HA 0.192 4.932 4.740 0.000 0.000 0.240 316 N C 0.876 176.335 175.510 -0.085 0.000 1.182 316 N CA 0.119 53.113 53.050 -0.093 0.000 0.874 316 N CB 0.976 39.390 38.487 -0.122 0.000 1.126 316 N HN 1.041 nan 8.380 nan 0.000 0.516 317 G N -1.135 107.633 108.800 -0.053 0.000 2.225 317 G HA2 -0.323 3.637 3.960 0.000 0.000 0.254 317 G HA3 -0.323 3.637 3.960 0.000 0.000 0.254 317 G C 0.527 175.401 174.900 -0.043 0.000 0.988 317 G CA 0.628 45.703 45.100 -0.043 0.000 0.625 317 G HN 0.304 nan 8.290 nan 0.000 0.527 318 V N -0.547 119.334 119.914 -0.054 0.000 3.103 318 V HA 0.345 4.465 4.120 0.000 0.000 0.229 318 V C 0.923 177.008 176.094 -0.015 0.000 1.304 318 V CA 1.217 63.490 62.300 -0.044 0.000 1.298 318 V CB 0.665 32.441 31.823 -0.077 0.000 1.093 318 V HN 0.356 nan 8.190 nan 0.000 0.489 319 E N -0.308 119.875 120.200 -0.029 0.000 2.207 319 E HA 0.490 4.840 4.350 0.000 0.000 0.270 319 E C -1.703 174.929 176.600 0.055 0.000 0.927 319 E CA -0.649 55.761 56.400 0.016 0.000 0.799 319 E CB 2.755 32.440 29.700 -0.025 0.000 1.172 319 E HN 0.262 nan 8.360 nan 0.000 0.404 320 F N 0.660 120.597 119.950 -0.023 0.000 2.425 320 F HA 0.628 5.155 4.527 0.000 0.000 0.331 320 F C 0.171 175.976 175.800 0.008 0.000 1.085 320 F CA -0.152 57.849 58.000 0.001 0.000 1.028 320 F CB 1.401 40.422 39.000 0.035 0.000 1.177 320 F HN 0.443 nan 8.300 nan 0.000 0.487 321 G N 5.537 114.378 108.800 0.068 0.000 2.667 321 G HA2 0.597 4.557 3.960 0.000 0.000 0.298 321 G HA3 0.597 4.557 3.960 0.000 0.000 0.298 321 G C -1.793 173.334 174.900 0.379 0.000 1.377 321 G CA -0.808 44.441 45.100 0.249 0.000 0.964 321 G HN 0.917 nan 8.290 nan 0.000 0.493 322 I N -1.697 119.151 120.570 0.463 0.000 2.892 322 I HA 0.900 5.070 4.170 0.000 0.000 0.306 322 I C -0.876 175.366 176.117 0.208 0.000 1.078 322 I CA -1.549 59.928 61.300 0.296 0.000 1.032 322 I CB 2.629 40.722 38.000 0.156 0.000 1.229 322 I HN 0.379 nan 8.210 nan 0.000 0.435 323 R N 2.568 123.046 120.500 -0.037 0.000 2.599 323 R HA 0.774 5.115 4.340 0.000 0.000 0.295 323 R C -1.491 174.828 176.300 0.032 0.000 0.963 323 R CA -0.710 55.306 56.100 -0.140 0.000 0.883 323 R CB 2.549 32.516 30.300 -0.556 0.000 1.171 323 R HN 0.584 nan 8.270 nan 0.000 0.450 324 V N 1.642 121.667 119.914 0.185 0.000 2.513 324 V HA 0.187 4.307 4.120 0.000 0.000 0.299 324 V C 1.177 177.386 176.094 0.192 0.000 1.035 324 V CA -0.494 61.897 62.300 0.151 0.000 0.889 324 V CB 1.740 33.623 31.823 0.101 0.000 0.988 324 V HN 0.934 nan 8.190 nan 0.000 0.440 325 S N 4.009 119.810 115.700 0.168 0.000 2.372 325 S HA -0.159 4.311 4.470 0.000 0.000 0.227 325 S C 1.858 176.428 174.600 -0.049 0.000 1.044 325 S CA 2.360 60.624 58.200 0.107 0.000 1.050 325 S CB -0.427 62.812 63.200 0.065 0.000 0.901 325 S HN 1.131 nan 8.310 nan 0.000 0.447 326 G N -0.464 108.326 108.800 -0.017 0.000 2.920 326 G HA2 0.203 4.163 3.960 0.000 0.000 0.208 326 G HA3 0.203 4.163 3.960 0.000 0.000 0.208 326 G C 1.065 175.942 174.900 -0.037 0.000 1.159 326 G CA 0.139 45.214 45.100 -0.042 0.000 0.784 326 G HN 0.581 nan 8.290 nan 0.000 0.535 327 I N -0.404 120.161 120.570 -0.007 0.000 3.790 327 I HA 0.266 4.436 4.170 0.000 0.000 0.305 327 I C 1.754 177.845 176.117 -0.043 0.000 1.253 327 I CA 0.493 61.793 61.300 -0.001 0.000 1.355 327 I CB 0.168 38.246 38.000 0.129 0.000 1.137 327 I HN 0.234 nan 8.210 nan 0.000 0.435 328 G N 1.168 109.891 108.800 -0.128 0.000 2.740 328 G HA2 0.001 3.961 3.960 0.000 0.000 0.250 328 G HA3 0.001 3.961 3.960 0.000 0.000 0.250 328 G C 0.619 175.469 174.900 -0.082 0.000 1.358 328 G CA -0.286 44.575 45.100 -0.398 0.000 0.897 328 G HN 0.938 nan 8.290 nan 0.000 0.567 329 G N -0.774 107.965 108.800 -0.101 0.000 2.578 329 G HA2 -0.161 3.799 3.960 0.000 0.000 0.284 329 G HA3 -0.161 3.799 3.960 0.000 0.000 0.284 329 G C 0.416 175.288 174.900 -0.048 0.000 1.283 329 G CA 0.880 45.971 45.100 -0.015 0.000 0.944 329 G HN 1.818 nan 8.290 nan 0.000 0.558 330 N N 1.223 119.783 118.700 -0.234 0.000 2.546 330 N HA 0.199 4.939 4.740 0.000 0.000 0.286 330 N C -0.265 174.895 175.510 -0.583 0.000 1.259 330 N CA -0.003 52.792 53.050 -0.426 0.000 0.939 330 N CB -0.012 38.326 38.487 -0.248 0.000 1.243 330 N HN 0.525 nan 8.380 nan 0.000 0.511 331 H N -0.366 118.477 119.070 -0.378 0.000 2.864 331 H HA 0.073 4.629 4.556 0.000 0.000 0.281 331 H C -0.233 174.734 175.328 -0.602 0.000 1.093 331 H CA -0.085 55.724 56.048 -0.399 0.000 1.453 331 H CB 0.478 30.044 29.762 -0.326 0.000 1.462 331 H HN 0.169 nan 8.280 nan 0.000 0.480 332 W N 3.477 124.584 121.300 -0.322 0.000 2.417 332 W HA 0.288 4.948 4.660 0.000 0.000 0.317 332 W C -0.443 175.769 176.519 -0.512 0.000 1.121 332 W CA -0.664 56.505 57.345 -0.294 0.000 1.208 332 W CB 0.698 30.071 29.460 -0.145 0.000 1.253 332 W HN 0.407 nan 8.180 nan 0.000 0.533 333 F N 2.355 122.467 119.950 0.270 0.000 2.402 333 F HA 0.423 4.950 4.527 0.000 0.000 0.355 333 F C 0.751 176.654 175.800 0.171 0.000 1.123 333 F CA -0.972 57.121 58.000 0.155 0.000 1.021 333 F CB 0.925 39.951 39.000 0.043 0.000 1.160 333 F HN 0.107 nan 8.300 nan 0.000 0.451 334 T N -0.091 114.619 114.554 0.260 0.000 2.952 334 T HA 0.970 5.320 4.350 0.000 0.000 0.286 334 T C -0.061 174.732 174.700 0.155 0.000 1.024 334 T CA -0.782 61.428 62.100 0.184 0.000 1.029 334 T CB 2.024 70.945 68.868 0.089 0.000 1.094 334 T HN 0.871 nan 8.240 nan 0.000 0.515 335 G N 0.403 109.288 108.800 0.142 0.000 2.550 335 G HA2 0.632 4.592 3.960 0.000 0.000 0.293 335 G HA3 0.632 4.592 3.960 0.000 0.000 0.293 335 G C -3.478 171.480 174.900 0.097 0.000 1.402 335 G CA -1.349 43.809 45.100 0.097 0.000 0.784 335 G HN 0.650 nan 8.290 nan 0.000 0.482 336 P HA 0.442 nan 4.420 nan 0.000 0.276 336 P C -0.014 177.337 177.300 0.084 0.000 1.230 336 P CA 0.002 63.135 63.100 0.056 0.000 0.776 336 P CB 1.214 32.932 31.700 0.030 0.000 0.888 337 A N 3.676 126.559 122.820 0.105 0.000 2.440 337 A HA 0.224 4.544 4.320 0.000 0.000 0.251 337 A C 0.314 177.951 177.584 0.088 0.000 1.089 337 A CA -0.178 51.952 52.037 0.154 0.000 0.779 337 A CB -0.136 18.942 19.000 0.129 0.000 1.022 337 A HN 0.440 nan 8.150 nan 0.000 0.492 338 Q N 0.890 120.745 119.800 0.093 0.000 2.260 338 Q HA 0.307 4.647 4.340 0.000 0.000 0.238 338 Q C 0.247 176.272 176.000 0.041 0.000 0.948 338 Q CA -0.282 55.547 55.803 0.045 0.000 0.895 338 Q CB 1.092 29.845 28.738 0.024 0.000 1.218 338 Q HN 0.858 nan 8.270 nan 0.000 0.470 339 R N -0.892 119.619 120.500 0.018 0.000 2.637 339 R HA 0.576 4.916 4.340 0.000 0.000 0.269 339 R C -0.381 175.924 176.300 0.008 0.000 1.089 339 R CA -0.642 55.462 56.100 0.007 0.000 1.177 339 R CB 0.194 30.489 30.300 -0.008 0.000 1.091 339 R HN 0.183 nan 8.270 nan 0.000 0.540 340 V N 2.241 122.154 119.914 -0.001 0.000 2.581 340 V HA 0.404 4.524 4.120 0.000 0.000 0.303 340 V C -0.053 176.032 176.094 -0.015 0.000 1.041 340 V CA -0.966 61.332 62.300 -0.003 0.000 0.907 340 V CB 1.678 33.498 31.823 -0.004 0.000 0.994 340 V HN 0.590 nan 8.190 nan 0.000 0.442 341 I N 3.206 123.769 120.570 -0.010 0.000 2.436 341 I HA 0.910 5.080 4.170 0.000 0.000 0.289 341 I C 0.438 176.550 176.117 -0.009 0.000 1.010 341 I CA 0.004 61.299 61.300 -0.009 0.000 1.098 341 I CB 0.901 38.901 38.000 0.000 0.000 1.266 341 I HN 0.873 nan 8.210 nan 0.000 0.434 342 G N 6.133 114.925 108.800 -0.013 0.000 2.316 342 G HA2 0.453 4.413 3.960 0.000 0.000 0.296 342 G HA3 0.453 4.413 3.960 0.000 0.000 0.296 342 G C -3.251 171.641 174.900 -0.013 0.000 1.399 342 G CA -0.675 44.420 45.100 -0.008 0.000 0.833 342 G HN 0.345 nan 8.290 nan 0.000 0.565 346 A N 0.636 123.623 122.820 0.278 0.000 2.580 346 A HA 0.400 4.720 4.320 0.000 0.000 0.244 346 A C 1.305 178.818 177.584 -0.118 0.000 1.045 346 A CA 1.423 53.490 52.037 0.050 0.000 0.761 346 A CB -1.195 17.797 19.000 -0.015 0.000 0.962 346 A HN 2.156 nan 8.150 nan 0.000 0.512 347 G N 1.452 110.180 108.800 -0.120 0.000 2.228 347 G HA2 -0.319 3.641 3.960 0.000 0.000 0.270 347 G HA3 -0.319 3.641 3.960 0.000 0.000 0.270 347 G C 0.128 174.888 174.900 -0.233 0.000 0.976 347 G CA 1.083 46.050 45.100 -0.222 0.000 0.636 347 G HN 0.881 nan 8.290 nan 0.000 0.542 348 Y N 0.778 121.121 120.300 0.071 0.000 2.310 348 Y HA 0.590 5.140 4.550 0.000 0.000 0.326 348 Y C 1.015 176.932 175.900 0.027 0.000 1.151 348 Y CA 0.078 58.216 58.100 0.062 0.000 1.195 348 Y CB 1.713 40.215 38.460 0.070 0.000 1.210 348 Y HN 0.189 nan 8.280 nan 0.000 0.483 349 T N -0.213 114.449 114.554 0.180 0.000 2.938 349 T HA 0.141 4.491 4.350 0.000 0.000 0.285 349 T C 0.926 175.650 174.700 0.039 0.000 1.028 349 T CA -0.603 61.547 62.100 0.083 0.000 1.005 349 T CB 1.701 70.602 68.868 0.054 0.000 1.157 349 T HN 0.697 nan 8.240 nan 0.000 0.550 350 Q N 0.330 120.136 119.800 0.010 0.000 2.135 350 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 350 Q C 1.732 177.708 176.000 -0.039 0.000 0.981 350 Q CA 2.028 57.819 55.803 -0.020 0.000 0.856 350 Q CB -0.370 28.360 28.738 -0.014 0.000 0.902 350 Q HN 0.713 nan 8.270 nan 0.000 0.425 351 E N 0.398 120.584 120.200 -0.023 0.000 2.401 351 E HA -0.139 4.211 4.350 0.000 0.000 0.199 351 E C 0.618 177.173 176.600 -0.075 0.000 1.023 351 E CA 1.008 57.387 56.400 -0.034 0.000 0.859 351 E CB -0.159 29.535 29.700 -0.010 0.000 0.780 351 E HN 0.538 nan 8.360 nan 0.000 0.523 352 D N 0.120 120.459 120.400 -0.102 0.000 2.349 352 D HA 0.082 4.722 4.640 0.000 0.000 0.224 352 D C 0.052 176.072 176.300 -0.468 0.000 1.029 352 D CA 0.193 54.022 54.000 -0.285 0.000 0.879 352 D CB 0.193 40.909 40.800 -0.140 0.000 0.906 352 D HN 0.047 nan 8.370 nan 0.000 0.528 353 A N 0.409 123.082 122.820 -0.246 0.000 2.290 353 A HA 0.647 4.967 4.320 0.000 0.000 0.310 353 A C 0.943 178.440 177.584 -0.145 0.000 1.202 353 A CA -0.461 51.456 52.037 -0.201 0.000 0.837 353 A CB 0.748 19.673 19.000 -0.124 0.000 1.139 353 A HN 0.153 nan 8.150 nan 0.000 0.509 354 G N 0.806 109.535 108.800 -0.119 0.000 2.651 354 G HA2 0.467 4.427 3.960 0.000 0.000 0.260 354 G HA3 0.467 4.427 3.960 0.000 0.000 0.260 354 G C 0.196 175.071 174.900 -0.040 0.000 1.216 354 G CA -0.688 44.373 45.100 -0.066 0.000 0.913 354 G HN 0.750 nan 8.290 nan 0.000 0.535 355 L N -0.387 120.821 121.223 -0.024 0.000 2.475 355 L HA 0.167 4.507 4.340 0.000 0.000 0.250 355 L C 1.081 177.959 176.870 0.013 0.000 1.224 355 L CA -0.735 54.103 54.840 -0.003 0.000 0.821 355 L CB 0.296 42.357 42.059 0.003 0.000 1.141 355 L HN 0.478 nan 8.230 nan 0.000 0.494 359 D N 0.277 120.642 120.400 -0.058 0.000 2.339 359 D HA 0.050 4.690 4.640 0.000 0.000 0.217 359 D C 2.483 178.751 176.300 -0.054 0.000 1.050 359 D CA 0.938 54.917 54.000 -0.034 0.000 0.856 359 D CB 0.611 41.363 40.800 -0.080 0.000 0.922 359 D HN 0.403 nan 8.370 nan 0.000 0.518 360 S N -0.005 115.642 115.700 -0.088 0.000 2.500 360 S HA -0.055 4.415 4.470 0.000 0.000 0.239 360 S C 1.878 176.316 174.600 -0.270 0.000 0.989 360 S CA 0.698 58.780 58.200 -0.196 0.000 0.951 360 S CB -0.037 63.049 63.200 -0.190 0.000 0.759 360 S HN 0.152 nan 8.310 nan 0.000 0.523 361 A N 0.876 123.651 122.820 -0.076 0.000 2.238 361 A HA 0.329 4.649 4.320 0.000 0.000 0.208 361 A C 1.752 179.336 177.584 -0.001 0.000 1.177 361 A CA 0.292 52.339 52.037 0.016 0.000 0.804 361 A CB -0.703 18.357 19.000 0.099 0.000 0.823 361 A HN 0.536 nan 8.150 nan 0.000 0.482 362 I N -0.284 120.282 120.570 -0.005 0.000 2.623 362 I HA -0.192 3.978 4.170 0.000 0.000 0.261 362 I C 2.220 178.339 176.117 0.003 0.000 1.204 362 I CA 1.743 63.059 61.300 0.027 0.000 1.444 362 I CB -0.234 37.795 38.000 0.048 0.000 1.094 362 I HN 0.284 nan 8.210 nan 0.000 0.451 363 T N 0.522 115.050 114.554 -0.042 0.000 2.668 363 T HA -0.128 4.222 4.350 0.000 0.000 0.262 363 T C 1.734 176.441 174.700 0.012 0.000 1.045 363 T CA 1.695 63.792 62.100 -0.004 0.000 1.152 363 T CB -0.120 68.698 68.868 -0.084 0.000 0.864 363 T HN 0.465 nan 8.240 nan 0.000 0.419 364 E N 0.931 121.098 120.200 -0.054 0.000 2.110 364 E HA -0.108 4.242 4.350 0.000 0.000 0.193 364 E C 2.268 178.510 176.600 -0.595 0.000 0.988 364 E CA 1.231 57.410 56.400 -0.368 0.000 0.804 364 E CB -0.820 28.709 29.700 -0.285 0.000 0.745 364 E HN 0.413 nan 8.360 nan 0.000 0.458 365 T N 0.796 115.198 114.554 -0.252 0.000 2.822 365 T HA -0.213 4.137 4.350 0.000 0.000 0.270 365 T C 1.438 176.097 174.700 -0.069 0.000 1.064 365 T CA 1.469 63.482 62.100 -0.144 0.000 1.131 365 T CB -0.354 68.508 68.868 -0.010 0.000 0.858 365 T HN 0.310 nan 8.240 nan 0.000 0.483 366 Y N 0.570 120.784 120.300 -0.143 0.000 2.482 366 Y HA 0.394 4.944 4.550 0.000 0.000 0.270 366 Y C 1.534 177.405 175.900 -0.047 0.000 1.152 366 Y CA 0.357 58.418 58.100 -0.065 0.000 1.292 366 Y CB 0.238 38.681 38.460 -0.029 0.000 1.070 366 Y HN 0.242 nan 8.280 nan 0.000 0.528 367 G N -0.280 108.438 108.800 -0.138 0.000 2.175 367 G HA2 -0.188 3.772 3.960 0.000 0.000 0.182 367 G HA3 -0.188 3.772 3.960 0.000 0.000 0.182 367 G C -0.146 174.821 174.900 0.112 0.000 1.003 367 G CA 0.129 45.205 45.100 -0.040 0.000 0.666 367 G HN 0.313 nan 8.290 nan 0.000 0.506 368 V N -0.527 119.458 119.914 0.119 0.000 4.247 368 V HA 0.930 5.050 4.120 0.000 0.000 0.284 368 V C 2.153 178.361 176.094 0.191 0.000 1.349 368 V CA 0.929 63.334 62.300 0.174 0.000 0.885 368 V CB 0.727 32.669 31.823 0.198 0.000 1.296 368 V HN 1.917 nan 8.190 nan 0.000 0.458 369 G N 0.569 109.489 108.800 0.200 0.000 2.634 369 G HA2 -0.301 3.659 3.960 0.000 0.000 0.309 369 G HA3 -0.301 3.659 3.960 0.000 0.000 0.309 369 G C 1.206 176.238 174.900 0.220 0.000 1.265 369 G CA 0.747 46.001 45.100 0.258 0.000 0.998 369 G HN 1.753 nan 8.290 nan 0.000 0.551 370 G N -0.724 108.214 108.800 0.229 0.000 2.475 370 G HA2 -0.053 3.907 3.960 0.000 0.000 0.220 370 G HA3 -0.053 3.907 3.960 0.000 0.000 0.220 370 G C 1.744 176.820 174.900 0.293 0.000 1.125 370 G CA 1.544 46.763 45.100 0.198 0.000 0.755 370 G HN 0.562 nan 8.290 nan 0.000 0.565 371 F N 1.358 121.342 119.950 0.056 0.000 2.293 371 F HA 0.238 4.765 4.527 0.000 0.000 0.300 371 F C 2.089 177.922 175.800 0.056 0.000 1.086 371 F CA 0.055 58.087 58.000 0.053 0.000 1.375 371 F CB 0.170 39.204 39.000 0.057 0.000 1.045 371 F HN 0.261 nan 8.300 nan 0.000 0.516 375 A N 0.012 122.839 122.820 0.012 0.000 2.067 375 A HA 0.592 4.912 4.320 0.000 0.000 0.217 375 A C 1.327 178.916 177.584 0.008 0.000 1.156 375 A CA 1.588 53.623 52.037 -0.003 0.000 0.683 375 A CB -0.266 18.744 19.000 0.017 0.000 0.808 375 A HN 1.639 nan 8.150 nan 0.000 0.455 376 A N 0.157 122.993 122.820 0.027 0.000 3.165 376 A HA 0.567 4.887 4.320 0.000 0.000 0.331 376 A C -1.520 176.086 177.584 0.036 0.000 1.034 376 A CA -0.977 51.081 52.037 0.037 0.000 0.906 376 A CB 0.285 19.317 19.000 0.054 0.000 1.054 376 A HN 0.201 nan 8.150 nan 0.000 0.484 377 P HA -0.136 nan 4.420 nan 0.000 0.228 377 P C 1.426 178.745 177.300 0.031 0.000 1.151 377 P CA 1.454 64.569 63.100 0.024 0.000 0.770 377 P CB 0.215 31.922 31.700 0.011 0.000 0.786 378 A N 1.142 123.983 122.820 0.035 0.000 2.019 378 A HA -0.143 4.177 4.320 0.000 0.000 0.219 378 A C 2.133 179.746 177.584 0.050 0.000 1.164 378 A CA 1.387 53.449 52.037 0.041 0.000 0.644 378 A CB -1.483 17.543 19.000 0.044 0.000 0.805 378 A HN 0.399 nan 8.150 nan 0.000 0.449 379 I N -3.259 117.344 120.570 0.055 0.000 3.291 379 I HA -0.004 4.166 4.170 0.000 0.000 0.279 379 I C 1.592 177.743 176.117 0.057 0.000 1.294 379 I CA 0.510 61.847 61.300 0.062 0.000 1.428 379 I CB -0.273 37.764 38.000 0.062 0.000 1.070 379 I HN -0.022 nan 8.210 nan 0.000 0.478 380 V N 3.070 123.015 119.914 0.050 0.000 2.380 380 V HA -0.127 3.993 4.120 0.000 0.000 0.251 380 V C 0.030 176.154 176.094 0.050 0.000 1.063 380 V CA 2.444 64.773 62.300 0.049 0.000 1.055 380 V CB -1.744 30.104 31.823 0.041 0.000 0.657 380 V HN 0.498 nan 8.190 nan 0.000 0.455 381 P HA -0.018 nan 4.420 nan 0.000 0.245 381 P C 1.673 179.018 177.300 0.074 0.000 1.206 381 P CA 0.844 63.977 63.100 0.055 0.000 0.781 381 P CB 0.348 32.078 31.700 0.050 0.000 0.994 382 L N -0.727 120.544 121.223 0.081 0.000 2.145 382 L HA 0.052 4.392 4.340 0.000 0.000 0.201 382 L C 2.362 179.276 176.870 0.073 0.000 1.075 382 L CA 1.024 55.927 54.840 0.106 0.000 0.773 382 L CB -0.464 41.664 42.059 0.114 0.000 0.936 382 L HN -0.280 nan 8.230 nan 0.000 0.451 383 V N -0.383 119.563 119.914 0.052 0.000 2.878 383 V HA 0.315 4.435 4.120 0.000 0.000 0.250 383 V C 1.009 177.122 176.094 0.032 0.000 1.075 383 V CA 0.785 63.103 62.300 0.029 0.000 1.096 383 V CB -0.510 31.327 31.823 0.023 0.000 0.724 383 V HN 0.693 nan 8.190 nan 0.000 0.467 384 G N -1.198 107.628 108.800 0.044 0.000 2.655 384 G HA2 0.424 4.384 3.960 0.000 0.000 0.680 384 G HA3 0.424 4.384 3.960 0.000 0.000 0.680 384 G C 0.258 175.189 174.900 0.053 0.000 1.302 384 G CA -0.650 44.477 45.100 0.044 0.000 0.872 384 G HN 1.634 nan 8.290 nan 0.000 0.540 385 G N -1.893 106.937 108.800 0.050 0.000 2.741 385 G HA2 0.399 4.359 3.960 0.000 0.000 0.222 385 G HA3 0.399 4.359 3.960 0.000 0.000 0.222 385 G C 0.326 175.250 174.900 0.039 0.000 1.364 385 G CA 0.896 46.029 45.100 0.054 0.000 0.866 385 G HN 2.501 nan 8.290 nan 0.000 0.555 386 T N -2.004 112.566 114.554 0.027 0.000 2.952 386 T HA 0.537 4.887 4.350 0.000 0.000 0.286 386 T C 1.623 176.330 174.700 0.011 0.000 1.024 386 T CA 0.743 62.851 62.100 0.012 0.000 1.029 386 T CB 1.550 70.415 68.868 -0.004 0.000 1.094 386 T HN 1.811 nan 8.240 nan 0.000 0.515 387 V N 2.952 122.870 119.914 0.006 0.000 2.392 387 V HA -0.024 4.096 4.120 0.000 0.000 0.249 387 V C 2.495 178.581 176.094 -0.012 0.000 1.059 387 V CA 2.794 65.096 62.300 0.003 0.000 1.051 387 V CB -1.057 30.766 31.823 0.000 0.000 0.658 387 V HN 0.972 nan 8.190 nan 0.000 0.455 388 A N -0.679 122.125 122.820 -0.027 0.000 1.930 388 A HA -0.203 4.117 4.320 0.000 0.000 0.217 388 A C 2.015 179.550 177.584 -0.081 0.000 1.175 388 A CA 1.727 53.735 52.037 -0.048 0.000 0.627 388 A CB -0.532 18.438 19.000 -0.051 0.000 0.815 388 A HN 0.688 nan 8.150 nan 0.000 0.443 389 E N -0.129 120.018 120.200 -0.090 0.000 2.204 389 E HA -0.052 4.298 4.350 0.000 0.000 0.194 389 E C 2.198 178.727 176.600 -0.120 0.000 0.989 389 E CA 0.778 57.069 56.400 -0.182 0.000 0.824 389 E CB -0.249 29.367 29.700 -0.140 0.000 0.756 389 E HN 0.630 nan 8.360 nan 0.000 0.477 390 A N 1.041 123.868 122.820 0.012 0.000 1.898 390 A HA -0.136 4.184 4.320 0.000 0.000 0.216 390 A C 2.133 179.754 177.584 0.061 0.000 1.181 390 A CA 1.010 53.103 52.037 0.095 0.000 0.620 390 A CB -0.448 18.595 19.000 0.072 0.000 0.819 390 A HN 0.135 nan 8.150 nan 0.000 0.442 391 L N -1.069 120.153 121.223 -0.002 0.000 2.131 391 L HA -0.070 4.270 4.340 0.000 0.000 0.206 391 L C 2.357 179.206 176.870 -0.034 0.000 1.087 391 L CA 1.436 56.268 54.840 -0.013 0.000 0.767 391 L CB -0.689 41.353 42.059 -0.029 0.000 0.917 391 L HN 0.537 nan 8.230 nan 0.000 0.441 392 N N -0.559 118.087 118.700 -0.090 0.000 2.223 392 N HA -0.225 4.515 4.740 0.000 0.000 0.185 392 N C 1.944 177.382 175.510 -0.121 0.000 1.016 392 N CA 0.902 53.869 53.050 -0.138 0.000 0.863 392 N CB 0.005 38.358 38.487 -0.223 0.000 0.983 392 N HN 0.140 nan 8.380 nan 0.000 0.429 393 Y N 0.571 120.836 120.300 -0.059 0.000 2.200 393 Y HA -0.022 4.528 4.550 0.000 0.000 0.290 393 Y C 2.740 178.566 175.900 -0.124 0.000 1.137 393 Y CA 0.856 58.903 58.100 -0.088 0.000 1.163 393 Y CB -0.595 37.825 38.460 -0.066 0.000 0.988 393 Y HN 0.069 nan 8.280 nan 0.000 0.518 394 S N -0.479 115.269 115.700 0.080 0.000 2.399 394 S HA -0.177 4.293 4.470 0.000 0.000 0.231 394 S C 1.972 176.557 174.600 -0.024 0.000 1.022 394 S CA 1.221 59.428 58.200 0.011 0.000 0.983 394 S CB -0.167 63.052 63.200 0.032 0.000 0.803 394 S HN 0.384 nan 8.310 nan 0.000 0.480 395 K N 0.947 121.334 120.400 -0.022 0.000 2.167 395 K HA -0.016 4.304 4.320 0.000 0.000 0.203 395 K C 1.049 177.623 176.600 -0.044 0.000 1.052 395 K CA 0.603 56.871 56.287 -0.032 0.000 0.956 395 K CB 0.129 32.608 32.500 -0.036 0.000 0.735 395 K HN 0.610 nan 8.250 nan 0.000 0.451 399 E N 0.773 120.955 120.200 -0.030 0.000 2.208 399 E HA -0.055 4.295 4.350 0.000 0.000 0.193 399 E C 1.480 178.070 176.600 -0.016 0.000 0.988 399 E CA 1.049 57.435 56.400 -0.022 0.000 0.828 399 E CB 0.423 30.104 29.700 -0.032 0.000 0.763 399 E HN 0.281 nan 8.360 nan 0.000 0.478 400 I N 0.471 121.028 120.570 -0.021 0.000 3.783 400 I HA -0.024 4.146 4.170 0.000 0.000 0.310 400 I C 1.020 177.166 176.117 0.049 0.000 1.274 400 I CA 0.612 61.910 61.300 -0.004 0.000 1.294 400 I CB 0.094 38.080 38.000 -0.023 0.000 1.051 400 I HN -0.030 nan 8.210 nan 0.000 0.435 401 T N -4.324 110.263 114.554 0.055 0.000 2.905 401 T HA 0.386 4.736 4.350 0.000 0.000 0.283 401 T C 0.977 175.706 174.700 0.048 0.000 1.031 401 T CA -0.310 61.840 62.100 0.083 0.000 1.002 401 T CB 1.576 70.523 68.868 0.131 0.000 1.200 401 T HN -0.088 nan 8.240 nan 0.000 0.560 402 T N 0.069 114.648 114.554 0.042 0.000 3.033 402 T HA 0.263 4.613 4.350 0.000 0.000 0.248 402 T C 0.380 175.090 174.700 0.017 0.000 1.040 402 T CA 0.584 62.697 62.100 0.022 0.000 1.133 402 T CB -0.251 68.624 68.868 0.012 0.000 0.895 402 T HN 0.923 nan 8.240 nan 0.000 0.465 403 K N 0.542 120.953 120.400 0.017 0.000 2.642 403 K HA 0.364 4.684 4.320 0.000 0.000 0.290 403 K C -2.069 174.537 176.600 0.010 0.000 1.006 403 K CA -0.907 55.388 56.287 0.013 0.000 0.869 403 K CB 1.044 33.549 32.500 0.009 0.000 1.499 403 K HN -0.108 nan 8.250 nan 0.000 0.403 404 E N 1.294 121.502 120.200 0.013 0.000 2.316 404 E HA 0.063 4.413 4.350 0.000 0.000 0.275 404 E C -0.628 175.974 176.600 0.003 0.000 1.029 404 E CA -0.664 55.744 56.400 0.013 0.000 0.871 404 E CB 0.685 30.401 29.700 0.026 0.000 1.022 404 E HN 0.327 nan 8.360 nan 0.000 0.418 405 N N 4.616 123.306 118.700 -0.016 0.000 2.402 405 N HA 0.033 4.773 4.740 0.000 0.000 0.259 405 N C -1.868 173.655 175.510 0.021 0.000 1.167 405 N CA -1.655 51.383 53.050 -0.020 0.000 0.949 405 N CB 0.791 39.229 38.487 -0.082 0.000 1.212 405 N HN 0.284 nan 8.380 nan 0.000 0.493 406 P HA 0.060 nan 4.420 nan 0.000 0.249 406 P C 0.135 177.470 177.300 0.058 0.000 1.241 406 P CA 0.440 63.571 63.100 0.052 0.000 0.781 406 P CB 0.423 32.149 31.700 0.042 0.000 1.088 407 N N -0.378 118.353 118.700 0.051 0.000 2.356 407 N HA 0.065 4.805 4.740 0.000 0.000 0.178 407 N C 0.000 175.542 175.510 0.053 0.000 1.075 407 N CA 0.433 53.513 53.050 0.050 0.000 0.889 407 N CB 0.975 39.494 38.487 0.052 0.000 0.999 407 N HN 0.052 nan 8.380 nan 0.000 0.464 408 V N 1.848 121.802 119.914 0.066 0.000 2.419 408 V HA 0.306 4.426 4.120 0.000 0.000 0.287 408 V C -0.066 176.090 176.094 0.103 0.000 1.017 408 V CA -0.710 61.634 62.300 0.073 0.000 0.844 408 V CB 1.300 33.175 31.823 0.085 0.000 1.011 408 V HN 0.130 nan 8.190 nan 0.000 0.429 409 T N 2.171 116.829 114.554 0.175 0.000 2.916 409 T HA 0.822 5.172 4.350 0.000 0.000 0.292 409 T C -0.682 174.124 174.700 0.177 0.000 1.055 409 T CA -0.732 61.495 62.100 0.213 0.000 1.009 409 T CB 2.241 71.324 68.868 0.358 0.000 1.118 409 T HN 0.293 nan 8.240 nan 0.000 0.497 410 I N 2.901 123.486 120.570 0.026 0.000 2.355 410 I HA 0.319 4.489 4.170 0.000 0.000 0.288 410 I C -1.884 174.007 176.117 -0.376 0.000 0.999 410 I CA -2.751 58.485 61.300 -0.106 0.000 1.163 410 I CB 2.527 40.495 38.000 -0.054 0.000 1.316 410 I HN 0.489 nan 8.210 nan 0.000 0.454 411 P HA -0.064 nan 4.420 nan 0.000 0.221 411 P C 1.633 178.495 177.300 -0.730 0.000 1.155 411 P CA 0.507 62.845 63.100 -1.269 0.000 0.812 411 P CB 0.501 31.500 31.700 -1.169 0.000 0.801 412 V N -0.484 119.196 119.914 -0.390 0.000 2.594 412 V HA -0.124 3.996 4.120 0.000 0.000 0.253 412 V C 1.401 177.393 176.094 -0.171 0.000 1.069 412 V CA 1.475 63.640 62.300 -0.226 0.000 1.082 412 V CB -0.894 30.846 31.823 -0.139 0.000 0.680 412 V HN -0.037 nan 8.190 nan 0.000 0.469 413 L N 0.919 122.038 121.223 -0.173 0.000 2.805 413 L HA 0.334 4.674 4.340 0.000 0.000 0.237 413 L C 0.555 177.390 176.870 -0.058 0.000 1.252 413 L CA 0.362 55.148 54.840 -0.091 0.000 1.064 413 L CB -1.221 40.801 42.059 -0.062 0.000 1.361 413 L HN 0.353 nan 8.230 nan 0.000 0.474 414 D N -0.508 119.849 120.400 -0.072 0.000 2.723 414 D HA -0.282 4.358 4.640 0.000 0.000 0.236 414 D C 0.315 176.752 176.300 0.229 0.000 1.138 414 D CA 0.696 54.750 54.000 0.090 0.000 0.676 414 D CB -1.194 39.665 40.800 0.098 0.000 1.069 414 D HN 0.166 nan 8.370 nan 0.000 0.430 418 I N -0.657 119.934 120.570 0.035 0.000 2.779 418 I HA 0.505 4.675 4.170 0.000 0.000 0.285 418 I C -2.323 173.813 176.117 0.032 0.000 1.134 418 I CA -2.063 59.261 61.300 0.040 0.000 1.398 418 I CB 0.955 38.975 38.000 0.033 0.000 1.404 418 I HN 0.114 nan 8.210 nan 0.000 0.587 419 P HA 0.214 nan 4.420 nan 0.000 0.280 419 P C -0.926 176.451 177.300 0.128 0.000 1.300 419 P CA -0.004 63.163 63.100 0.111 0.000 0.785 419 P CB 0.753 32.537 31.700 0.139 0.000 0.874 420 T N 1.740 116.317 114.554 0.038 0.000 2.888 420 T HA 0.655 5.005 4.350 0.000 0.000 0.284 420 T C 0.248 174.960 174.700 0.021 0.000 1.017 420 T CA -0.094 61.990 62.100 -0.025 0.000 1.022 420 T CB 1.392 70.194 68.868 -0.110 0.000 1.013 420 T HN 0.623 nan 8.240 nan 0.000 0.465 421 G N 2.452 111.260 108.800 0.013 0.000 2.694 421 G HA2 -0.176 3.784 3.960 0.000 0.000 0.247 421 G HA3 -0.176 3.784 3.960 0.000 0.000 0.247 421 G C -0.290 174.661 174.900 0.084 0.000 0.989 421 G CA -0.798 44.325 45.100 0.038 0.000 1.252 421 G HN 0.788 nan 8.290 nan 0.000 0.483 422 I N 1.808 122.447 120.570 0.114 0.000 2.533 422 I HA 0.168 4.338 4.170 0.000 0.000 0.284 422 I C 0.428 176.629 176.117 0.140 0.000 1.109 422 I CA -0.098 61.303 61.300 0.167 0.000 1.412 422 I CB 0.925 39.060 38.000 0.225 0.000 1.396 422 I HN 0.364 nan 8.210 nan 0.000 0.543 423 D N 5.806 126.276 120.400 0.115 0.000 2.303 423 D HA 0.193 4.833 4.640 0.000 0.000 0.236 423 D C 0.806 177.174 176.300 0.113 0.000 1.068 423 D CA -0.437 53.616 54.000 0.089 0.000 0.830 423 D CB 2.045 42.874 40.800 0.049 0.000 1.109 423 D HN 0.231 nan 8.370 nan 0.000 0.496 424 V N 4.079 124.077 119.914 0.139 0.000 2.287 424 V HA -0.242 3.878 4.120 0.000 0.000 0.248 424 V C 2.325 178.481 176.094 0.104 0.000 1.053 424 V CA 1.074 63.494 62.300 0.199 0.000 1.027 424 V CB -0.412 31.485 31.823 0.124 0.000 0.646 424 V HN 0.556 nan 8.190 nan 0.000 0.447 425 L N -0.223 121.037 121.223 0.061 0.000 2.042 425 L HA -0.193 4.147 4.340 0.000 0.000 0.210 425 L C 2.363 179.251 176.870 0.031 0.000 1.076 425 L CA 1.878 56.747 54.840 0.047 0.000 0.749 425 L CB -0.996 41.096 42.059 0.056 0.000 0.893 425 L HN 0.319 nan 8.230 nan 0.000 0.432 426 K N -1.517 118.897 120.400 0.024 0.000 2.103 426 K HA -0.069 4.251 4.320 0.000 0.000 0.204 426 K C 2.019 178.593 176.600 -0.044 0.000 1.052 426 K CA 0.842 57.131 56.287 0.004 0.000 0.945 426 K CB -0.112 32.396 32.500 0.013 0.000 0.722 426 K HN 0.120 nan 8.250 nan 0.000 0.443 427 V N 1.755 121.616 119.914 -0.088 0.000 2.261 427 V HA -0.262 3.858 4.120 0.000 0.000 0.246 427 V C 2.233 178.222 176.094 -0.174 0.000 1.047 427 V CA 1.455 63.619 62.300 -0.226 0.000 1.015 427 V CB -0.373 31.118 31.823 -0.554 0.000 0.642 427 V HN 0.267 nan 8.190 nan 0.000 0.446 428 L N 0.694 121.859 121.223 -0.097 0.000 1.989 428 L HA -0.203 4.137 4.340 0.000 0.000 0.211 428 L C 2.672 179.520 176.870 -0.038 0.000 1.071 428 L CA 2.669 57.480 54.840 -0.047 0.000 0.749 428 L CB -1.535 40.527 42.059 0.006 0.000 0.890 428 L HN 0.687 nan 8.230 nan 0.000 0.431 429 E N -2.492 117.695 120.200 -0.022 0.000 2.482 429 E HA -0.125 4.225 4.350 0.000 0.000 0.196 429 E C 1.662 178.247 176.600 -0.025 0.000 1.047 429 E CA 1.078 57.469 56.400 -0.014 0.000 0.869 429 E CB -0.076 29.625 29.700 0.003 0.000 0.836 429 E HN 0.250 nan 8.360 nan 0.000 0.520 430 T N -0.424 114.105 114.554 -0.041 0.000 3.033 430 T HA 0.329 4.679 4.350 0.000 0.000 0.248 430 T C 0.639 175.307 174.700 -0.054 0.000 1.040 430 T CA 0.976 63.049 62.100 -0.045 0.000 1.133 430 T CB 0.202 69.039 68.868 -0.052 0.000 0.895 430 T HN 0.564 nan 8.240 nan 0.000 0.465 434 P HA 0.141 nan 4.420 nan 0.000 0.262 434 P C -0.689 176.693 177.300 0.137 0.000 1.182 434 P CA 0.001 63.218 63.100 0.195 0.000 0.761 434 P CB 0.533 32.453 31.700 0.366 0.000 0.795 435 V N 5.945 125.906 119.914 0.078 0.000 2.432 435 V HA 0.356 4.477 4.120 0.000 0.000 0.275 435 V C -0.123 176.037 176.094 0.111 0.000 1.043 435 V CA -0.383 61.878 62.300 -0.064 0.000 0.925 435 V CB 0.184 31.730 31.823 -0.462 0.000 0.985 435 V HN 0.343 nan 8.190 nan 0.000 0.466 436 I N 6.598 127.212 120.570 0.074 0.000 2.465 436 I HA 0.493 4.663 4.170 0.000 0.000 0.291 436 I C -0.509 175.627 176.117 0.031 0.000 1.014 436 I CA -0.685 60.693 61.300 0.130 0.000 1.093 436 I CB 2.016 40.139 38.000 0.206 0.000 1.267 436 I HN 0.485 nan 8.210 nan 0.000 0.431 437 N N 3.369 122.055 118.700 -0.023 0.000 2.399 437 N HA 0.614 5.354 4.740 0.000 0.000 0.295 437 N C -0.665 174.656 175.510 -0.315 0.000 1.048 437 N CA -0.177 52.798 53.050 -0.125 0.000 0.886 437 N CB 2.281 40.700 38.487 -0.113 0.000 1.185 437 N HN 0.633 nan 8.380 nan 0.000 0.487 438 T N -0.742 113.697 114.554 -0.192 0.000 2.749 438 T HA 0.659 5.009 4.350 0.000 0.000 0.310 438 T C -1.392 173.288 174.700 -0.034 0.000 1.496 438 T CA -0.615 61.403 62.100 -0.137 0.000 1.006 438 T CB 0.868 69.764 68.868 0.046 0.000 1.457 438 T HN 0.447 nan 8.240 nan 0.000 0.497 439 A N 2.186 125.028 122.820 0.038 0.000 2.351 439 A HA 0.722 5.042 4.320 0.000 0.000 0.257 439 A C -0.041 177.560 177.584 0.028 0.000 1.087 439 A CA -0.422 51.643 52.037 0.048 0.000 0.798 439 A CB -0.175 18.907 19.000 0.137 0.000 1.033 439 A HN 0.762 nan 8.150 nan 0.000 0.488 440 I N 1.250 121.798 120.570 -0.037 0.000 2.336 440 I HA 0.513 4.683 4.170 0.000 0.000 0.292 440 I C 0.566 176.663 176.117 -0.032 0.000 0.991 440 I CA -0.139 61.126 61.300 -0.059 0.000 1.227 440 I CB 1.650 39.566 38.000 -0.140 0.000 1.366 440 I HN 0.695 nan 8.210 nan 0.000 0.466 441 A N 4.756 127.597 122.820 0.034 0.000 2.337 441 A HA 0.523 4.843 4.320 0.000 0.000 0.331 441 A C -0.817 176.766 177.584 -0.001 0.000 1.137 441 A CA -0.512 51.584 52.037 0.099 0.000 0.807 441 A CB 0.719 19.887 19.000 0.279 0.000 1.250 441 A HN 0.781 nan 8.150 nan 0.000 0.468 442 H N 0.454 119.469 119.070 -0.092 0.000 2.707 442 H HA 0.215 4.771 4.556 0.000 0.000 0.359 442 H C 1.583 176.887 175.328 -0.039 0.000 1.113 442 H CA 0.749 56.730 56.048 -0.111 0.000 1.422 442 H CB 1.046 30.714 29.762 -0.156 0.000 1.443 442 H HN 0.668 nan 8.280 nan 0.000 0.591 443 K N 2.279 122.569 120.400 -0.184 0.000 2.439 443 K HA -0.063 4.257 4.320 0.000 0.000 0.197 443 K C 0.034 176.694 176.600 0.100 0.000 1.041 443 K CA 0.811 57.069 56.287 -0.048 0.000 0.970 443 K CB 0.364 32.794 32.500 -0.116 0.000 0.773 443 K HN 0.397 nan 8.250 nan 0.000 0.479 444 E N 2.732 123.142 120.200 0.351 0.000 2.197 444 E HA 0.210 4.560 4.350 0.000 0.000 0.281 444 E C -2.497 174.184 176.600 0.135 0.000 0.995 444 E CA -3.246 53.299 56.400 0.242 0.000 0.808 444 E CB 1.152 30.997 29.700 0.243 0.000 1.093 444 E HN 0.031 nan 8.360 nan 0.000 0.394 445 P HA 0.045 nan 4.420 nan 0.000 0.261 445 P C 0.513 177.841 177.300 0.046 0.000 1.203 445 P CA 0.934 64.072 63.100 0.062 0.000 0.767 445 P CB 0.750 32.478 31.700 0.048 0.000 0.785 446 G N 3.753 112.591 108.800 0.064 0.000 2.349 446 G HA2 -0.301 3.659 3.960 0.000 0.000 0.213 446 G HA3 -0.301 3.659 3.960 0.000 0.000 0.213 446 G C 1.111 176.002 174.900 -0.015 0.000 1.044 446 G CA 0.143 45.268 45.100 0.042 0.000 0.633 446 G HN 0.449 nan 8.290 nan 0.000 0.506 447 I N 2.032 122.560 120.570 -0.070 0.000 2.185 447 I HA 0.116 4.286 4.170 0.000 0.000 0.246 447 I C 1.958 177.963 176.117 -0.186 0.000 1.088 447 I CA 2.041 63.251 61.300 -0.150 0.000 1.347 447 I CB -0.815 36.980 38.000 -0.342 0.000 1.041 447 I HN 1.449 nan 8.210 nan 0.000 0.415 451 G N 1.364 109.523 108.800 -1.068 0.000 2.333 451 G HA2 0.749 4.709 3.960 0.000 0.000 0.288 451 G HA3 0.749 4.709 3.960 0.000 0.000 0.288 451 G C -2.033 172.610 174.900 -0.428 0.000 1.286 451 G CA 0.032 44.596 45.100 -0.893 0.000 0.865 451 G HN 1.022 nan 8.290 nan 0.000 0.506 452 A N -1.797 120.887 122.820 -0.227 0.000 2.606 452 A HA 1.150 5.470 4.320 0.000 0.000 0.293 452 A C 0.050 177.597 177.584 -0.060 0.000 1.082 452 A CA 0.428 52.407 52.037 -0.098 0.000 0.685 452 A CB 1.455 20.433 19.000 -0.036 0.000 1.284 452 A HN 2.649 nan 8.150 nan 0.000 0.408 453 G N -1.032 107.743 108.800 -0.042 0.000 2.427 453 G HA2 0.639 4.599 3.960 0.000 0.000 0.306 453 G HA3 0.639 4.599 3.960 0.000 0.000 0.306 453 G C -1.399 173.485 174.900 -0.026 0.000 1.280 453 G CA -0.004 45.080 45.100 -0.026 0.000 0.837 453 G HN 2.028 nan 8.290 nan 0.000 0.482 454 L N -0.825 120.387 121.223 -0.018 0.000 2.343 454 L HA 0.953 5.293 4.340 0.000 0.000 0.275 454 L C 0.065 176.929 176.870 -0.010 0.000 1.056 454 L CA -0.145 54.678 54.840 -0.029 0.000 0.804 454 L CB 2.115 44.147 42.059 -0.046 0.000 1.203 454 L HN 0.792 nan 8.230 nan 0.000 0.440 455 T N 1.720 116.276 114.554 0.002 0.000 2.787 455 T HA 0.680 5.030 4.350 0.000 0.000 0.297 455 T C -1.387 173.331 174.700 0.030 0.000 1.221 455 T CA -0.726 61.390 62.100 0.026 0.000 1.006 455 T CB 1.320 70.228 68.868 0.066 0.000 1.328 455 T HN 0.994 nan 8.240 nan 0.000 0.509 456 N N 0.966 119.678 118.700 0.020 0.000 2.647 456 N HA 0.612 5.352 4.740 0.000 0.000 0.266 456 N C -3.016 172.415 175.510 -0.132 0.000 1.373 456 N CA -1.496 51.553 53.050 -0.001 0.000 0.807 456 N CB 1.010 39.479 38.487 -0.030 0.000 1.513 456 N HN 0.320 nan 8.380 nan 0.000 0.505 457 P HA 0.130 nan 4.420 nan 0.000 0.268 457 P C -2.527 174.540 177.300 -0.389 0.000 1.208 457 P CA -0.560 61.990 63.100 -0.917 0.000 0.777 457 P CB -0.415 30.961 31.700 -0.540 0.000 0.875 458 P HA 0.022 nan 4.420 nan 0.000 0.272 458 P C 0.569 177.876 177.300 0.012 0.000 1.223 458 P CA -0.019 63.010 63.100 -0.119 0.000 0.784 458 P CB 0.542 32.197 31.700 -0.075 0.000 0.923 459 A N 3.622 126.472 122.820 0.050 0.000 1.858 459 A HA -0.234 4.086 4.320 0.000 0.000 0.216 459 A C 2.027 179.711 177.584 0.167 0.000 1.190 459 A CA 1.996 54.105 52.037 0.121 0.000 0.617 459 A CB -1.684 17.345 19.000 0.048 0.000 0.827 459 A HN 0.765 nan 8.150 nan 0.000 0.443 460 N N 0.696 119.447 118.700 0.086 0.000 2.096 460 N HA -0.196 4.544 4.740 0.000 0.000 0.195 460 N C 1.570 177.117 175.510 0.060 0.000 1.017 460 N CA 2.235 55.328 53.050 0.071 0.000 0.870 460 N CB -1.030 37.491 38.487 0.056 0.000 1.024 460 N HN 0.257 nan 8.380 nan 0.000 0.434 461 V N 0.444 120.373 119.914 0.026 0.000 2.380 461 V HA -0.223 3.897 4.120 0.000 0.000 0.251 461 V C 2.058 177.968 176.094 -0.306 0.000 1.063 461 V CA 1.784 64.021 62.300 -0.105 0.000 1.055 461 V CB -0.774 30.947 31.823 -0.170 0.000 0.657 461 V HN 0.171 nan 8.190 nan 0.000 0.455 462 F N 0.553 120.469 119.950 -0.057 0.000 2.128 462 F HA -0.062 4.465 4.527 0.000 0.000 0.295 462 F C 2.180 177.914 175.800 -0.110 0.000 1.100 462 F CA 1.739 59.684 58.000 -0.093 0.000 1.260 462 F CB -0.926 38.041 39.000 -0.055 0.000 1.009 462 F HN 0.182 nan 8.300 nan 0.000 0.476 463 N N 0.052 118.815 118.700 0.105 0.000 2.132 463 N HA -0.216 4.524 4.740 0.000 0.000 0.191 463 N C 1.612 177.102 175.510 -0.033 0.000 1.015 463 N CA 1.601 54.671 53.050 0.034 0.000 0.864 463 N CB -0.248 38.264 38.487 0.042 0.000 1.006 463 N HN 0.377 nan 8.380 nan 0.000 0.430 464 E N -0.372 119.781 120.200 -0.077 0.000 2.122 464 E HA 0.088 4.438 4.350 0.000 0.000 0.190 464 E C 1.904 178.300 176.600 -0.341 0.000 0.977 464 E CA 0.532 56.884 56.400 -0.080 0.000 0.820 464 E CB 0.050 29.780 29.700 0.049 0.000 0.770 464 E HN 0.416 nan 8.360 nan 0.000 0.462 465 A N 0.846 123.248 122.820 -0.697 0.000 1.969 465 A HA -0.131 4.189 4.320 0.000 0.000 0.218 465 A C 2.067 179.373 177.584 -0.464 0.000 1.169 465 A CA 0.803 52.138 52.037 -1.170 0.000 0.635 465 A CB -0.416 17.965 19.000 -1.032 0.000 0.810 465 A HN 0.299 nan 8.150 nan 0.000 0.445 466 L N -0.013 121.068 121.223 -0.237 0.000 2.017 466 L HA -0.116 4.225 4.340 0.000 0.000 0.208 466 L C 2.232 179.064 176.870 -0.064 0.000 1.073 466 L CA 2.640 57.420 54.840 -0.101 0.000 0.745 466 L CB -0.575 41.461 42.059 -0.039 0.000 0.894 466 L HN 0.400 nan 8.230 nan 0.000 0.432 467 K N -0.453 119.918 120.400 -0.049 0.000 2.001 467 K HA -0.265 4.055 4.320 0.000 0.000 0.214 467 K C 2.052 178.655 176.600 0.005 0.000 1.050 467 K CA 1.825 58.108 56.287 -0.007 0.000 0.934 467 K CB -0.486 32.024 32.500 0.016 0.000 0.718 467 K HN 0.505 nan 8.250 nan 0.000 0.443 468 A N 1.068 123.902 122.820 0.023 0.000 1.958 468 A HA -0.214 4.106 4.320 0.000 0.000 0.221 468 A C 2.142 179.739 177.584 0.022 0.000 1.178 468 A CA 1.781 53.860 52.037 0.071 0.000 0.642 468 A CB -0.675 18.468 19.000 0.238 0.000 0.816 468 A HN 0.352 nan 8.150 nan 0.000 0.453 469 L N -0.414 120.802 121.223 -0.013 0.000 2.044 469 L HA -0.135 4.205 4.340 0.000 0.000 0.205 469 L C 2.709 179.574 176.870 -0.009 0.000 1.075 469 L CA 1.369 56.199 54.840 -0.016 0.000 0.747 469 L CB -0.629 41.412 42.059 -0.031 0.000 0.903 469 L HN 0.437 nan 8.230 nan 0.000 0.435 470 V N -1.702 118.209 119.914 -0.006 0.000 2.453 470 V HA -0.238 3.882 4.120 0.000 0.000 0.252 470 V C 2.205 178.300 176.094 0.000 0.000 1.068 470 V CA 1.770 64.070 62.300 0.000 0.000 1.070 470 V CB -1.119 30.707 31.823 0.005 0.000 0.664 470 V HN 0.324 nan 8.190 nan 0.000 0.461 471 A N -0.734 122.086 122.820 0.001 0.000 2.235 471 A HA 0.199 4.519 4.320 0.000 0.000 0.208 471 A C 1.966 179.544 177.584 -0.011 0.000 1.172 471 A CA 1.357 53.393 52.037 -0.001 0.000 0.786 471 A CB -0.548 18.455 19.000 0.004 0.000 0.804 471 A HN 0.649 nan 8.150 nan 0.000 0.479 472 T N -0.726 113.820 114.554 -0.013 0.000 3.176 472 T HA 0.221 4.571 4.350 0.000 0.000 0.259 472 T C 0.440 175.128 174.700 -0.020 0.000 0.978 472 T CA -0.307 61.780 62.100 -0.023 0.000 1.050 472 T CB -0.067 68.783 68.868 -0.031 0.000 1.136 472 T HN 0.196 nan 8.240 nan 0.000 0.465 473 I N 4.870 125.430 120.570 -0.015 0.000 2.826 473 I HA 0.142 4.312 4.170 0.000 0.000 0.295 473 I C 0.463 176.574 176.117 -0.011 0.000 1.213 473 I CA 0.464 61.755 61.300 -0.014 0.000 1.436 473 I CB -1.258 36.737 38.000 -0.008 0.000 1.348 473 I HN 0.599 nan 8.210 nan 0.000 0.570 474 N N 0.000 118.693 118.700 -0.012 0.000 1.763 474 N HA 0.000 4.740 4.740 0.000 0.000 0.220 474 N CA 0.000 53.044 53.050 -0.009 0.000 0.885 474 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 474 N HN 0.000 nan 8.380 nan 0.000 0.667