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 2hxy_1_C DATA FIRST_RESID 38 DATA SEQUENCE PTFDTMGLRE DLLRGIYAYG FEKPSAIQQR AIKQIIKGRD VIAQSQSGTG DATA SEQUENCE KTATFSISVL QCLDIQVRET QALILAPTRE LAVQIQKGLL ALGDYMNVQC DATA SEQUENCE HACIGGTNVG EDIRKLDYGQ HVVAGTPGRV FDMIRRRSLR TRAIKMLVLD DATA SEQUENCE EADEMLNKGF KEQIYDVYRY LPPATQVVLI SATLPHEILE MTNKFMTDPI DATA SEQUENCE RILVKRDELT LEGIKQFFVA VEREEWKFDT LCDLYDTLTI TQAVIFCNTK DATA SEQUENCE RKVDWLTEKM REANFTVSSM HGDMPQKERE SIMKEFRSGA SRVLISTDVW DATA SEQUENCE ARGLDVPQVS LIINYDLPNN RELYIHRIGR SGRYGRKGVA INFVKNDDIR DATA SEQUENCE ILRDIEQYYS TQIDEMPMNV ADLILE 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 38 P HA 0.000 nan 4.420 nan 0.000 0.216 38 P C 0.000 177.222 177.300 -0.130 0.000 1.155 38 P CA 0.000 63.056 63.100 -0.073 0.000 0.800 38 P CB 0.000 31.654 31.700 -0.077 0.000 0.726 39 T N -2.287 112.197 114.554 -0.117 0.000 2.742 39 T HA 0.619 4.970 4.350 0.001 0.000 0.282 39 T C 0.447 175.039 174.700 -0.180 0.000 1.025 39 T CA -0.579 61.418 62.100 -0.172 0.000 1.020 39 T CB 0.802 69.680 68.868 0.017 0.000 1.317 39 T HN -0.065 nan 8.240 nan 0.000 0.538 40 F N 0.748 120.739 119.950 0.069 0.000 2.615 40 F HA 0.148 4.676 4.527 0.001 0.000 0.297 40 F C 2.173 178.021 175.800 0.080 0.000 1.124 40 F CA 0.153 58.179 58.000 0.043 0.000 1.451 40 F CB -0.515 38.459 39.000 -0.043 0.000 1.103 40 F HN 0.548 nan 8.300 nan 0.000 0.569 41 D N -0.207 120.358 120.400 0.275 0.000 2.104 41 D HA -0.172 4.469 4.640 0.001 0.000 0.194 41 D C 2.233 178.613 176.300 0.133 0.000 0.994 41 D CA 2.210 56.334 54.000 0.208 0.000 0.830 41 D CB -0.725 40.180 40.800 0.175 0.000 0.959 41 D HN 0.308 nan 8.370 nan 0.000 0.452 42 T N -1.591 113.021 114.554 0.098 0.000 3.215 42 T HA 0.047 4.397 4.350 0.001 0.000 0.254 42 T C 1.600 176.341 174.700 0.068 0.000 1.149 42 T CA 0.126 62.266 62.100 0.067 0.000 1.042 42 T CB -0.300 68.593 68.868 0.041 0.000 0.966 42 T HN 0.065 nan 8.240 nan 0.000 0.534 43 M N 0.597 120.255 119.600 0.098 0.000 2.428 43 M HA 0.314 4.795 4.480 0.001 0.000 0.239 43 M C 1.535 177.881 176.300 0.077 0.000 1.121 43 M CA 0.258 55.614 55.300 0.093 0.000 1.019 43 M CB 0.089 32.773 32.600 0.140 0.000 1.485 43 M HN 0.453 nan 8.290 nan 0.000 0.484 44 G N 2.804 111.648 108.800 0.075 0.000 2.338 44 G HA2 -0.231 3.730 3.960 0.001 0.000 0.296 44 G HA3 -0.231 3.730 3.960 0.001 0.000 0.296 44 G C -0.244 174.685 174.900 0.049 0.000 1.040 44 G CA -0.004 45.130 45.100 0.056 0.000 1.004 44 G HN 0.433 nan 8.290 nan 0.000 0.509 45 L N -0.066 121.193 121.223 0.060 0.000 2.357 45 L HA 0.521 4.862 4.340 0.001 0.000 0.273 45 L C 1.610 178.497 176.870 0.027 0.000 1.080 45 L CA -1.333 53.528 54.840 0.034 0.000 0.803 45 L CB 0.799 42.874 42.059 0.027 0.000 1.174 45 L HN 0.481 nan 8.230 nan 0.000 0.443 46 R N 1.053 121.558 120.500 0.008 0.000 2.756 46 R HA 0.019 4.359 4.340 0.001 0.000 0.264 46 R C 0.298 176.609 176.300 0.019 0.000 1.026 46 R CA -0.343 55.762 56.100 0.008 0.000 1.121 46 R CB 0.644 30.939 30.300 -0.008 0.000 0.999 46 R HN 0.650 nan 8.270 nan 0.000 0.449 47 E N 1.320 121.534 120.200 0.024 0.000 2.012 47 E HA -0.244 4.107 4.350 0.001 0.000 0.197 47 E C 1.409 178.033 176.600 0.041 0.000 1.007 47 E CA 1.935 58.356 56.400 0.034 0.000 0.816 47 E CB -0.161 29.551 29.700 0.020 0.000 0.762 47 E HN 0.818 nan 8.360 nan 0.000 0.451 48 D N 0.924 121.345 120.400 0.034 0.000 2.322 48 D HA -0.207 4.433 4.640 0.001 0.000 0.210 48 D C 1.954 178.315 176.300 0.101 0.000 0.983 48 D CA 0.829 54.871 54.000 0.070 0.000 0.902 48 D CB -0.184 40.653 40.800 0.061 0.000 0.905 48 D HN 0.166 nan 8.370 nan 0.000 0.483 49 L N -0.287 120.959 121.223 0.038 0.000 2.189 49 L HA 0.119 4.459 4.340 0.001 0.000 0.199 49 L C 2.114 178.975 176.870 -0.014 0.000 1.074 49 L CA 0.683 55.515 54.840 -0.012 0.000 0.783 49 L CB -0.887 41.132 42.059 -0.066 0.000 0.955 49 L HN -0.029 nan 8.230 nan 0.000 0.460 50 L N 0.236 121.465 121.223 0.009 0.000 2.189 50 L HA -0.193 4.148 4.340 0.001 0.000 0.214 50 L C 2.744 179.721 176.870 0.178 0.000 1.097 50 L CA 1.778 56.643 54.840 0.042 0.000 0.764 50 L CB -0.763 41.378 42.059 0.137 0.000 0.900 50 L HN 0.390 nan 8.230 nan 0.000 0.436 51 R N -1.029 119.583 120.500 0.186 0.000 2.062 51 R HA -0.106 4.235 4.340 0.001 0.000 0.231 51 R C 2.214 178.724 176.300 0.349 0.000 1.136 51 R CA 1.328 57.575 56.100 0.245 0.000 0.948 51 R CB -0.805 29.558 30.300 0.105 0.000 0.845 51 R HN 0.475 nan 8.270 nan 0.000 0.430 52 G N 1.441 110.444 108.800 0.339 0.000 2.469 52 G HA2 -0.265 3.695 3.960 0.001 0.000 0.219 52 G HA3 -0.265 3.695 3.960 0.001 0.000 0.219 52 G C 1.520 176.465 174.900 0.075 0.000 1.150 52 G CA 1.062 46.258 45.100 0.161 0.000 0.763 52 G HN 0.289 nan 8.290 nan 0.000 0.561 53 I N -0.689 119.858 120.570 -0.039 0.000 2.127 53 I HA -0.238 3.932 4.170 0.001 0.000 0.241 53 I C 2.510 178.628 176.117 0.001 0.000 1.075 53 I CA 1.346 62.544 61.300 -0.170 0.000 1.334 53 I CB -0.338 37.338 38.000 -0.540 0.000 1.040 53 I HN 0.133 nan 8.210 nan 0.000 0.405 54 Y N 0.633 121.003 120.300 0.117 0.000 2.242 54 Y HA -0.159 4.392 4.550 0.001 0.000 0.291 54 Y C 2.589 178.580 175.900 0.152 0.000 1.137 54 Y CA 1.209 59.398 58.100 0.149 0.000 1.181 54 Y CB -0.721 37.812 38.460 0.122 0.000 0.989 54 Y HN 0.132 nan 8.280 nan 0.000 0.527 55 A N -1.098 121.918 122.820 0.327 0.000 1.969 55 A HA -0.234 4.087 4.320 0.001 0.000 0.218 55 A C 1.966 179.679 177.584 0.216 0.000 1.169 55 A CA 1.310 53.508 52.037 0.268 0.000 0.635 55 A CB -1.231 17.979 19.000 0.351 0.000 0.810 55 A HN 0.565 nan 8.150 nan 0.000 0.445 56 Y N 0.204 120.544 120.300 0.066 0.000 2.497 56 Y HA 0.150 4.701 4.550 0.002 0.000 0.292 56 Y C 1.730 177.677 175.900 0.079 0.000 1.137 56 Y CA 1.049 59.166 58.100 0.027 0.000 1.285 56 Y CB -0.199 38.242 38.460 -0.031 0.000 0.991 56 Y HN 0.487 nan 8.280 nan 0.000 0.556 57 G N -1.108 107.769 108.800 0.127 0.000 2.213 57 G HA2 -0.307 3.654 3.960 0.001 0.000 0.226 57 G HA3 -0.307 3.654 3.960 0.001 0.000 0.226 57 G C 0.190 175.159 174.900 0.114 0.000 0.992 57 G CA -0.065 45.070 45.100 0.057 0.000 0.632 57 G HN 0.294 nan 8.290 nan 0.000 0.511 58 F N 2.921 122.898 119.950 0.046 0.000 2.512 58 F HA 0.441 4.969 4.527 0.001 0.000 0.350 58 F C 1.461 177.334 175.800 0.122 0.000 1.212 58 F CA 0.470 58.531 58.000 0.101 0.000 1.099 58 F CB 0.382 39.471 39.000 0.148 0.000 1.238 58 F HN 0.270 nan 8.300 nan 0.000 0.600 59 E N 2.889 123.106 120.200 0.028 0.000 2.340 59 E HA 0.019 4.370 4.350 0.001 0.000 0.194 59 E C 0.216 176.877 176.600 0.102 0.000 0.996 59 E CA 0.300 56.799 56.400 0.164 0.000 0.869 59 E CB 0.472 30.294 29.700 0.204 0.000 0.835 59 E HN 0.369 nan 8.360 nan 0.000 0.493 60 K N 1.476 121.793 120.400 -0.138 0.000 2.581 60 K HA 0.230 4.551 4.320 0.001 0.000 0.249 60 K C -2.849 173.509 176.600 -0.402 0.000 0.966 60 K CA -1.891 54.239 56.287 -0.261 0.000 0.811 60 K CB 2.104 34.506 32.500 -0.164 0.000 1.223 60 K HN -0.171 nan 8.250 nan 0.000 0.438 61 P HA 0.071 nan 4.420 nan 0.000 0.277 61 P C -0.274 176.941 177.300 -0.141 0.000 1.240 61 P CA -0.368 62.588 63.100 -0.240 0.000 0.798 61 P CB 1.654 33.029 31.700 -0.541 0.000 0.979 62 S N 0.913 116.610 115.700 -0.005 0.000 2.598 62 S HA 0.243 4.714 4.470 0.001 0.000 0.256 62 S C 1.639 176.226 174.600 -0.022 0.000 1.350 62 S CA 0.253 58.447 58.200 -0.009 0.000 0.984 62 S CB -0.047 63.179 63.200 0.044 0.000 0.930 62 S HN 0.519 nan 8.310 nan 0.000 0.577 63 A N 1.754 124.566 122.820 -0.014 0.000 1.872 63 A HA 0.020 4.340 4.320 0.001 0.000 0.214 63 A C 2.104 179.692 177.584 0.006 0.000 1.187 63 A CA 1.622 53.652 52.037 -0.011 0.000 0.614 63 A CB -1.043 17.954 19.000 -0.006 0.000 0.826 63 A HN 1.037 nan 8.150 nan 0.000 0.442 64 I N -1.087 119.494 120.570 0.018 0.000 2.286 64 I HA -0.219 3.952 4.170 0.001 0.000 0.245 64 I C 2.076 178.216 176.117 0.038 0.000 1.104 64 I CA 2.093 63.410 61.300 0.027 0.000 1.397 64 I CB -0.922 37.095 38.000 0.029 0.000 1.072 64 I HN 0.372 nan 8.210 nan 0.000 0.417 65 Q N 0.505 120.337 119.800 0.053 0.000 2.152 65 Q HA -0.312 4.029 4.340 0.001 0.000 0.206 65 Q C 2.360 178.404 176.000 0.074 0.000 0.985 65 Q CA 2.172 58.023 55.803 0.081 0.000 0.863 65 Q CB -0.447 28.370 28.738 0.132 0.000 0.904 65 Q HN 0.761 nan 8.270 nan 0.000 0.422 66 Q N 0.991 120.816 119.800 0.040 0.000 2.096 66 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 66 Q C 2.149 178.174 176.000 0.042 0.000 0.982 66 Q CA 1.435 57.255 55.803 0.029 0.000 0.850 66 Q CB -0.002 28.725 28.738 -0.018 0.000 0.901 66 Q HN 0.234 nan 8.270 nan 0.000 0.422 67 R N -0.291 120.230 120.500 0.034 0.000 2.080 67 R HA -0.200 4.141 4.340 0.001 0.000 0.236 67 R C 2.196 178.520 176.300 0.040 0.000 1.137 67 R CA 1.510 57.631 56.100 0.035 0.000 0.943 67 R CB -0.494 29.825 30.300 0.030 0.000 0.846 67 R HN 0.353 nan 8.270 nan 0.000 0.431 68 A N 1.226 124.073 122.820 0.044 0.000 1.869 68 A HA -0.231 4.090 4.320 0.001 0.000 0.218 68 A C 2.198 179.813 177.584 0.052 0.000 1.203 68 A CA 1.976 54.041 52.037 0.046 0.000 0.638 68 A CB -0.786 18.248 19.000 0.057 0.000 0.831 68 A HN 0.407 nan 8.150 nan 0.000 0.450 69 I N -0.981 119.629 120.570 0.067 0.000 2.076 69 I HA -0.301 3.870 4.170 0.001 0.000 0.237 69 I C 2.558 178.709 176.117 0.057 0.000 1.059 69 I CA 2.042 63.384 61.300 0.070 0.000 1.317 69 I CB -0.415 37.651 38.000 0.110 0.000 1.037 69 I HN 0.298 nan 8.210 nan 0.000 0.398 70 K N 0.769 121.204 120.400 0.059 0.000 2.052 70 K HA -0.272 4.048 4.320 0.001 0.000 0.215 70 K C 2.173 178.796 176.600 0.038 0.000 1.053 70 K CA 1.830 58.145 56.287 0.048 0.000 0.934 70 K CB -0.282 32.244 32.500 0.043 0.000 0.717 70 K HN 0.239 nan 8.250 nan 0.000 0.450 71 Q N -0.200 119.621 119.800 0.036 0.000 2.119 71 Q HA -0.038 4.303 4.340 0.001 0.000 0.201 71 Q C 2.301 178.315 176.000 0.023 0.000 0.972 71 Q CA 1.454 57.275 55.803 0.030 0.000 0.847 71 Q CB -0.100 28.655 28.738 0.028 0.000 0.903 71 Q HN 0.471 nan 8.270 nan 0.000 0.433 72 I N 0.192 120.776 120.570 0.022 0.000 2.394 72 I HA -0.233 3.937 4.170 0.001 0.000 0.251 72 I C 2.142 178.267 176.117 0.012 0.000 1.136 72 I CA 0.739 62.047 61.300 0.013 0.000 1.425 72 I CB -0.239 37.773 38.000 0.019 0.000 1.079 72 I HN 0.117 nan 8.210 nan 0.000 0.425 73 I N 0.693 121.274 120.570 0.018 0.000 2.226 73 I HA -0.262 3.909 4.170 0.001 0.000 0.245 73 I C 2.392 178.517 176.117 0.014 0.000 1.100 73 I CA 1.129 62.437 61.300 0.014 0.000 1.374 73 I CB -0.382 37.630 38.000 0.020 0.000 1.057 73 I HN 0.132 nan 8.210 nan 0.000 0.413 74 K N 0.646 121.058 120.400 0.019 0.000 2.281 74 K HA -0.121 4.200 4.320 0.001 0.000 0.203 74 K C 1.571 178.181 176.600 0.017 0.000 1.046 74 K CA 1.293 57.592 56.287 0.020 0.000 0.938 74 K CB -0.422 32.093 32.500 0.026 0.000 0.737 74 K HN 0.593 nan 8.250 nan 0.000 0.458 75 G N 0.594 109.402 108.800 0.012 0.000 2.231 75 G HA2 -0.199 3.762 3.960 0.001 0.000 0.206 75 G HA3 -0.199 3.762 3.960 0.001 0.000 0.206 75 G C 0.016 174.920 174.900 0.007 0.000 0.996 75 G CA -0.397 44.707 45.100 0.007 0.000 0.645 75 G HN 0.090 nan 8.290 nan 0.000 0.498 76 R N 1.374 121.882 120.500 0.013 0.000 2.698 76 R HA 0.237 4.578 4.340 0.001 0.000 0.266 76 R C -0.322 175.975 176.300 -0.005 0.000 1.026 76 R CA 0.025 56.132 56.100 0.013 0.000 1.102 76 R CB 0.028 30.341 30.300 0.023 0.000 0.978 76 R HN 0.281 nan 8.270 nan 0.000 0.436 77 D N 0.926 121.319 120.400 -0.011 0.000 2.350 77 D HA 0.194 4.834 4.640 0.001 0.000 0.249 77 D C -0.300 175.977 176.300 -0.037 0.000 1.119 77 D CA -0.001 53.978 54.000 -0.035 0.000 0.886 77 D CB 1.039 41.818 40.800 -0.036 0.000 1.195 77 D HN 0.006 nan 8.370 nan 0.000 0.437 78 V N 3.242 123.122 119.914 -0.056 0.000 2.769 78 V HA 0.441 4.562 4.120 0.001 0.000 0.312 78 V C 0.157 176.204 176.094 -0.078 0.000 1.061 78 V CA -0.791 61.477 62.300 -0.053 0.000 0.931 78 V CB 2.116 33.917 31.823 -0.037 0.000 1.010 78 V HN 0.384 nan 8.190 nan 0.000 0.433 79 I N 3.598 124.119 120.570 -0.081 0.000 2.502 79 I HA 0.567 4.738 4.170 0.001 0.000 0.276 79 I C 0.176 176.234 176.117 -0.098 0.000 1.057 79 I CA -0.360 60.873 61.300 -0.110 0.000 1.163 79 I CB 1.341 39.250 38.000 -0.153 0.000 1.288 79 I HN 0.675 nan 8.210 nan 0.000 0.479 80 A N 5.604 128.380 122.820 -0.073 0.000 2.276 80 A HA 0.469 4.790 4.320 0.001 0.000 0.316 80 A C -0.254 177.304 177.584 -0.043 0.000 1.229 80 A CA -0.436 51.576 52.037 -0.043 0.000 0.851 80 A CB 0.961 19.957 19.000 -0.006 0.000 1.165 80 A HN 0.703 nan 8.150 nan 0.000 0.513 81 Q N 2.144 121.922 119.800 -0.037 0.000 2.295 81 Q HA 0.366 4.706 4.340 0.001 0.000 0.259 81 Q C 0.362 176.365 176.000 0.005 0.000 0.976 81 Q CA -0.139 55.648 55.803 -0.026 0.000 0.923 81 Q CB 0.659 29.382 28.738 -0.025 0.000 1.185 81 Q HN 0.852 nan 8.270 nan 0.000 0.410 82 S N 3.769 119.475 115.700 0.011 0.000 2.572 82 S HA 0.092 4.563 4.470 0.001 0.000 0.279 82 S C -0.687 173.932 174.600 0.031 0.000 1.341 82 S CA -0.282 57.937 58.200 0.031 0.000 1.043 82 S CB 0.951 64.172 63.200 0.034 0.000 0.887 82 S HN 0.754 nan 8.310 nan 0.000 0.516 83 Q N 2.631 122.456 119.800 0.040 0.000 2.289 83 Q HA 0.353 4.693 4.340 0.001 0.000 0.270 83 Q C -1.084 174.940 176.000 0.041 0.000 1.038 83 Q CA -0.505 55.320 55.803 0.037 0.000 0.812 83 Q CB 1.759 30.518 28.738 0.035 0.000 1.300 83 Q HN 0.718 nan 8.270 nan 0.000 0.427 84 S N 1.933 117.654 115.700 0.035 0.000 2.811 84 S HA 0.368 4.839 4.470 0.001 0.000 0.325 84 S C -0.001 174.622 174.600 0.038 0.000 1.224 84 S CA 0.922 59.143 58.200 0.035 0.000 1.125 84 S CB -0.244 62.973 63.200 0.028 0.000 0.867 84 S HN 0.737 nan 8.310 nan 0.000 0.512 85 G N 2.905 111.734 108.800 0.047 0.000 2.529 85 G HA2 0.403 4.364 3.960 0.001 0.000 0.238 85 G HA3 0.403 4.364 3.960 0.001 0.000 0.238 85 G C -1.111 173.831 174.900 0.071 0.000 1.207 85 G CA -0.601 44.530 45.100 0.051 0.000 0.928 85 G HN 0.438 nan 8.290 nan 0.000 0.495 86 T N 0.973 115.584 114.554 0.094 0.000 2.806 86 T HA 0.490 4.841 4.350 0.001 0.000 0.290 86 T C 1.002 175.865 174.700 0.273 0.000 0.966 86 T CA 1.102 63.292 62.100 0.150 0.000 1.060 86 T CB 0.782 69.711 68.868 0.102 0.000 0.927 86 T HN 2.031 nan 8.240 nan 0.000 0.485 87 G N 3.014 111.967 108.800 0.256 0.000 2.266 87 G HA2 -0.282 3.678 3.960 0.001 0.000 0.269 87 G HA3 -0.282 3.678 3.960 0.001 0.000 0.269 87 G C 0.847 175.782 174.900 0.057 0.000 0.863 87 G CA 0.387 45.596 45.100 0.182 0.000 1.268 87 G HN 0.655 nan 8.290 nan 0.000 0.426 88 K N -0.278 120.155 120.400 0.055 0.000 2.525 88 K HA 0.102 4.423 4.320 0.001 0.000 0.192 88 K C 2.344 178.930 176.600 -0.022 0.000 1.029 88 K CA 1.533 57.850 56.287 0.051 0.000 1.029 88 K CB -0.055 32.496 32.500 0.084 0.000 0.814 88 K HN 0.409 nan 8.250 nan 0.000 0.503 89 T N -0.539 113.923 114.554 -0.152 0.000 2.755 89 T HA 0.055 4.406 4.350 0.001 0.000 0.251 89 T C 1.679 175.859 174.700 -0.866 0.000 1.044 89 T CA 1.110 62.944 62.100 -0.444 0.000 1.154 89 T CB -0.377 68.337 68.868 -0.256 0.000 0.866 89 T HN 0.278 nan 8.240 nan 0.000 0.416 90 A N 1.420 123.889 122.820 -0.585 0.000 1.884 90 A HA -0.241 4.079 4.320 0.001 0.000 0.219 90 A C 2.466 179.660 177.584 -0.651 0.000 1.197 90 A CA 2.680 54.298 52.037 -0.698 0.000 0.637 90 A CB -1.636 16.883 19.000 -0.802 0.000 0.827 90 A HN 0.505 nan 8.150 nan 0.000 0.450 91 T N 0.106 114.379 114.554 -0.468 0.000 2.620 91 T HA -0.277 4.074 4.350 0.001 0.000 0.267 91 T C 1.527 176.140 174.700 -0.145 0.000 1.044 91 T CA 2.350 64.322 62.100 -0.214 0.000 1.161 91 T CB -0.619 68.237 68.868 -0.020 0.000 0.862 91 T HN 0.825 nan 8.240 nan 0.000 0.438 92 F N 1.089 120.974 119.950 -0.109 0.000 2.335 92 F HA 0.299 4.827 4.527 0.001 0.000 0.296 92 F C 2.363 178.088 175.800 -0.126 0.000 1.091 92 F CA 0.321 58.263 58.000 -0.097 0.000 1.399 92 F CB -1.026 37.925 39.000 -0.082 0.000 1.067 92 F HN -0.030 nan 8.300 nan 0.000 0.520 93 S N 1.893 117.177 115.700 -0.694 0.000 2.359 93 S HA -0.141 4.330 4.470 0.001 0.000 0.224 93 S C 2.134 176.574 174.600 -0.268 0.000 1.035 93 S CA 1.806 59.748 58.200 -0.430 0.000 1.018 93 S CB -0.683 62.137 63.200 -0.633 0.000 0.876 93 S HN 0.460 nan 8.310 nan 0.000 0.448 94 I N 1.425 121.794 120.570 -0.335 0.000 2.208 94 I HA -0.217 3.954 4.170 0.001 0.000 0.245 94 I C 2.437 178.466 176.117 -0.147 0.000 1.097 94 I CA 0.952 62.084 61.300 -0.280 0.000 1.363 94 I CB -0.519 37.286 38.000 -0.325 0.000 1.051 94 I HN 0.237 nan 8.210 nan 0.000 0.413 95 S N 0.489 116.143 115.700 -0.076 0.000 2.344 95 S HA -0.155 4.316 4.470 0.001 0.000 0.217 95 S C 2.115 176.707 174.600 -0.014 0.000 1.033 95 S CA 1.373 59.566 58.200 -0.012 0.000 1.017 95 S CB -0.488 62.738 63.200 0.045 0.000 0.941 95 S HN 0.199 nan 8.310 nan 0.000 0.430 96 V N 2.624 122.549 119.914 0.019 0.000 2.222 96 V HA -0.270 3.851 4.120 0.001 0.000 0.252 96 V C 2.298 178.368 176.094 -0.040 0.000 1.060 96 V CA 1.993 64.298 62.300 0.009 0.000 1.027 96 V CB -0.931 30.925 31.823 0.055 0.000 0.644 96 V HN 0.401 nan 8.190 nan 0.000 0.448 97 L N -0.601 120.576 121.223 -0.076 0.000 1.978 97 L HA -0.337 4.004 4.340 0.001 0.000 0.218 97 L C 2.717 179.532 176.870 -0.093 0.000 1.075 97 L CA 2.371 57.148 54.840 -0.105 0.000 0.767 97 L CB -0.771 41.201 42.059 -0.145 0.000 0.890 97 L HN 0.428 nan 8.230 nan 0.000 0.434 98 Q N 0.204 119.955 119.800 -0.082 0.000 2.062 98 Q HA -0.223 4.118 4.340 0.001 0.000 0.209 98 Q C 1.253 177.224 176.000 -0.049 0.000 0.996 98 Q CA 1.904 57.671 55.803 -0.060 0.000 0.859 98 Q CB -0.534 28.178 28.738 -0.043 0.000 0.920 98 Q HN 0.580 nan 8.270 nan 0.000 0.415 99 C N 1.986 121.262 119.300 -0.040 0.000 3.025 99 C HA 0.443 4.904 4.460 0.001 0.000 0.547 99 C C -0.173 174.791 174.990 -0.042 0.000 1.058 99 C CA -0.701 58.298 59.018 -0.032 0.000 1.164 99 C CB -2.195 25.533 27.740 -0.020 0.000 1.405 99 C HN 0.364 nan 8.230 nan 0.000 0.610 100 L N 0.679 121.865 121.223 -0.061 0.000 2.359 100 L HA 0.531 4.872 4.340 0.001 0.000 0.256 100 L C -0.668 176.152 176.870 -0.083 0.000 1.026 100 L CA -0.306 54.483 54.840 -0.085 0.000 0.828 100 L CB 2.021 43.989 42.059 -0.151 0.000 1.406 100 L HN 0.067 nan 8.230 nan 0.000 0.413 101 D N 1.546 121.899 120.400 -0.078 0.000 2.434 101 D HA 0.233 4.874 4.640 0.001 0.000 0.275 101 D C 1.128 177.390 176.300 -0.063 0.000 1.172 101 D CA -0.412 53.559 54.000 -0.049 0.000 0.916 101 D CB 0.805 41.601 40.800 -0.007 0.000 1.041 101 D HN 0.267 nan 8.370 nan 0.000 0.501 102 I N 1.558 122.044 120.570 -0.139 0.000 2.074 102 I HA -0.349 3.822 4.170 0.001 0.000 0.238 102 I C 2.112 178.280 176.117 0.085 0.000 1.037 102 I CA 1.385 62.589 61.300 -0.159 0.000 1.301 102 I CB -1.303 36.630 38.000 -0.112 0.000 1.016 102 I HN 0.463 nan 8.210 nan 0.000 0.400 103 Q N 0.543 120.369 119.800 0.043 0.000 2.458 103 Q HA -0.116 4.225 4.340 0.001 0.000 0.215 103 Q C 0.700 176.740 176.000 0.066 0.000 0.989 103 Q CA 0.715 56.549 55.803 0.053 0.000 0.895 103 Q CB -0.867 27.887 28.738 0.025 0.000 0.934 103 Q HN 0.437 nan 8.270 nan 0.000 0.475 104 V N 2.526 122.497 119.914 0.095 0.000 2.239 104 V HA 0.182 4.303 4.120 0.001 0.000 0.267 104 V C 0.241 176.391 176.094 0.094 0.000 1.056 104 V CA -0.409 61.934 62.300 0.072 0.000 0.830 104 V CB 0.538 32.391 31.823 0.050 0.000 1.090 104 V HN 0.096 nan 8.190 nan 0.000 0.459 105 R N 3.684 124.180 120.500 -0.007 0.000 2.488 105 R HA 0.330 4.671 4.340 0.001 0.000 0.306 105 R C 0.040 176.217 176.300 -0.205 0.000 1.271 105 R CA 0.223 56.174 56.100 -0.249 0.000 1.022 105 R CB 0.200 30.311 30.300 -0.315 0.000 1.054 105 R HN 0.765 nan 8.270 nan 0.000 0.500 106 E N 0.959 121.068 120.200 -0.152 0.000 2.400 106 E HA 0.061 4.412 4.350 0.001 0.000 0.285 106 E C -1.209 175.373 176.600 -0.030 0.000 1.005 106 E CA -0.514 55.833 56.400 -0.088 0.000 0.816 106 E CB 1.476 31.153 29.700 -0.039 0.000 1.220 106 E HN 0.192 nan 8.360 nan 0.000 0.426 107 T N 3.682 118.218 114.554 -0.031 0.000 2.704 107 T HA -0.048 4.303 4.350 0.001 0.000 0.271 107 T C 0.654 175.367 174.700 0.021 0.000 1.000 107 T CA 0.914 63.016 62.100 0.004 0.000 1.216 107 T CB 0.257 69.126 68.868 0.001 0.000 0.961 107 T HN 0.405 nan 8.240 nan 0.000 0.515 108 Q N 1.374 121.198 119.800 0.041 0.000 2.378 108 Q HA 0.373 4.714 4.340 0.001 0.000 0.229 108 Q C 0.604 176.611 176.000 0.010 0.000 0.882 108 Q CA -0.015 55.804 55.803 0.027 0.000 0.936 108 Q CB 0.820 29.580 28.738 0.036 0.000 1.092 108 Q HN 0.697 nan 8.270 nan 0.000 0.535 109 A N 1.241 124.068 122.820 0.012 0.000 2.398 109 A HA 0.616 4.937 4.320 0.001 0.000 0.301 109 A C -1.788 175.794 177.584 -0.004 0.000 1.041 109 A CA -0.545 51.490 52.037 -0.003 0.000 0.711 109 A CB 1.426 20.424 19.000 -0.003 0.000 1.240 109 A HN 0.132 nan 8.150 nan 0.000 0.420 110 L N 3.151 124.361 121.223 -0.021 0.000 2.356 110 L HA 0.761 5.102 4.340 0.001 0.000 0.277 110 L C -1.229 175.606 176.870 -0.059 0.000 0.996 110 L CA -0.348 54.477 54.840 -0.024 0.000 0.822 110 L CB 1.113 43.164 42.059 -0.013 0.000 1.256 110 L HN 0.596 nan 8.230 nan 0.000 0.413 111 I N 6.043 126.578 120.570 -0.059 0.000 2.406 111 I HA 0.404 4.575 4.170 0.001 0.000 0.290 111 I C -0.777 175.279 176.117 -0.102 0.000 0.999 111 I CA -0.594 60.643 61.300 -0.105 0.000 1.124 111 I CB 1.579 39.537 38.000 -0.070 0.000 1.289 111 I HN 0.439 nan 8.210 nan 0.000 0.441 112 L N 5.829 126.967 121.223 -0.141 0.000 2.317 112 L HA 0.872 5.213 4.340 0.001 0.000 0.281 112 L C -0.054 176.712 176.870 -0.174 0.000 1.024 112 L CA -0.575 54.182 54.840 -0.138 0.000 0.810 112 L CB 1.731 43.711 42.059 -0.132 0.000 1.240 112 L HN 0.667 nan 8.230 nan 0.000 0.427 113 A N 3.725 126.436 122.820 -0.182 0.000 2.469 113 A HA 0.767 5.088 4.320 0.001 0.000 0.299 113 A C -2.242 175.172 177.584 -0.284 0.000 1.098 113 A CA -1.274 50.653 52.037 -0.185 0.000 0.737 113 A CB 1.679 20.614 19.000 -0.108 0.000 1.312 113 A HN 0.550 nan 8.150 nan 0.000 0.414 114 P HA 0.007 nan 4.420 nan 0.000 0.233 114 P C 0.382 177.562 177.300 -0.199 0.000 1.167 114 P CA 1.440 64.343 63.100 -0.330 0.000 0.770 114 P CB 0.042 31.641 31.700 -0.168 0.000 0.837 115 T N -4.588 109.896 114.554 -0.116 0.000 2.923 115 T HA 0.433 4.784 4.350 0.001 0.000 0.311 115 T C 0.931 175.612 174.700 -0.030 0.000 1.183 115 T CA -0.934 61.143 62.100 -0.038 0.000 1.020 115 T CB 2.223 71.087 68.868 -0.006 0.000 1.165 115 T HN -0.208 nan 8.240 nan 0.000 0.482 116 R N 0.821 121.319 120.500 -0.002 0.000 2.097 116 R HA -0.150 4.191 4.340 0.001 0.000 0.236 116 R C 1.997 178.289 176.300 -0.014 0.000 1.135 116 R CA 2.145 58.241 56.100 -0.006 0.000 0.934 116 R CB -0.545 29.762 30.300 0.012 0.000 0.846 116 R HN 0.702 nan 8.270 nan 0.000 0.431 117 E N 0.791 120.990 120.200 -0.003 0.000 2.068 117 E HA -0.244 4.107 4.350 0.001 0.000 0.207 117 E C 1.821 178.417 176.600 -0.008 0.000 1.032 117 E CA 1.377 57.775 56.400 -0.002 0.000 0.839 117 E CB -0.504 29.200 29.700 0.006 0.000 0.758 117 E HN 0.128 nan 8.360 nan 0.000 0.457 118 L N 0.337 121.554 121.223 -0.009 0.000 2.079 118 L HA -0.106 4.235 4.340 0.001 0.000 0.210 118 L C 2.039 178.901 176.870 -0.014 0.000 1.081 118 L CA 2.144 56.979 54.840 -0.008 0.000 0.752 118 L CB -1.032 41.020 42.059 -0.011 0.000 0.896 118 L HN 0.145 nan 8.230 nan 0.000 0.433 119 A N -1.052 121.748 122.820 -0.032 0.000 1.892 119 A HA -0.201 4.120 4.320 0.001 0.000 0.218 119 A C 2.269 179.827 177.584 -0.044 0.000 1.188 119 A CA 2.347 54.358 52.037 -0.044 0.000 0.631 119 A CB -1.188 17.775 19.000 -0.062 0.000 0.822 119 A HN 0.322 nan 8.150 nan 0.000 0.447 120 V N 0.016 119.904 119.914 -0.044 0.000 2.261 120 V HA -0.359 3.762 4.120 0.001 0.000 0.246 120 V C 2.630 178.706 176.094 -0.028 0.000 1.047 120 V CA 2.279 64.552 62.300 -0.044 0.000 1.015 120 V CB -1.180 30.624 31.823 -0.031 0.000 0.642 120 V HN 0.662 nan 8.190 nan 0.000 0.446 121 Q N -0.296 119.495 119.800 -0.015 0.000 2.082 121 Q HA -0.275 4.066 4.340 0.001 0.000 0.211 121 Q C 2.271 178.258 176.000 -0.021 0.000 1.002 121 Q CA 2.435 58.233 55.803 -0.008 0.000 0.868 121 Q CB -0.500 28.241 28.738 0.003 0.000 0.931 121 Q HN 0.586 nan 8.270 nan 0.000 0.414 122 I N 0.600 121.163 120.570 -0.012 0.000 2.185 122 I HA -0.368 3.802 4.170 0.001 0.000 0.246 122 I C 2.760 178.850 176.117 -0.045 0.000 1.088 122 I CA 1.653 62.948 61.300 -0.009 0.000 1.347 122 I CB -0.484 37.554 38.000 0.063 0.000 1.041 122 I HN 0.406 nan 8.210 nan 0.000 0.415 123 Q N 1.691 121.467 119.800 -0.040 0.000 1.965 123 Q HA -0.228 4.113 4.340 0.001 0.000 0.200 123 Q C 2.220 178.186 176.000 -0.056 0.000 0.981 123 Q CA 1.503 57.278 55.803 -0.047 0.000 0.834 123 Q CB -0.047 28.661 28.738 -0.050 0.000 0.900 123 Q HN 0.355 nan 8.270 nan 0.000 0.426 124 K N -0.275 120.101 120.400 -0.041 0.000 2.144 124 K HA -0.197 4.124 4.320 0.001 0.000 0.209 124 K C 1.987 178.549 176.600 -0.063 0.000 1.047 124 K CA 1.278 57.544 56.287 -0.034 0.000 0.927 124 K CB -0.380 32.114 32.500 -0.009 0.000 0.716 124 K HN 0.476 nan 8.250 nan 0.000 0.454 125 G N 1.092 109.835 108.800 -0.095 0.000 2.394 125 G HA2 -0.192 3.769 3.960 0.001 0.000 0.214 125 G HA3 -0.192 3.769 3.960 0.001 0.000 0.214 125 G C 1.481 176.196 174.900 -0.308 0.000 1.176 125 G CA 0.227 45.207 45.100 -0.199 0.000 0.786 125 G HN 0.094 nan 8.290 nan 0.000 0.533 126 L N -0.066 121.018 121.223 -0.231 0.000 2.013 126 L HA -0.095 4.246 4.340 0.001 0.000 0.212 126 L C 2.972 179.721 176.870 -0.200 0.000 1.073 126 L CA 0.885 55.591 54.840 -0.223 0.000 0.753 126 L CB -0.309 41.672 42.059 -0.130 0.000 0.890 126 L HN 0.214 nan 8.230 nan 0.000 0.432 127 L N -0.855 120.282 121.223 -0.142 0.000 2.046 127 L HA -0.216 4.125 4.340 0.001 0.000 0.208 127 L C 2.785 179.560 176.870 -0.158 0.000 1.077 127 L CA 1.285 56.055 54.840 -0.116 0.000 0.747 127 L CB -0.692 41.327 42.059 -0.066 0.000 0.896 127 L HN 0.248 nan 8.230 nan 0.000 0.432 128 A N -0.298 122.420 122.820 -0.170 0.000 1.972 128 A HA -0.137 4.184 4.320 0.001 0.000 0.219 128 A C 2.230 179.657 177.584 -0.263 0.000 1.169 128 A CA 1.410 53.349 52.037 -0.163 0.000 0.635 128 A CB -0.581 18.386 19.000 -0.056 0.000 0.810 128 A HN 0.376 nan 8.150 nan 0.000 0.446 129 L N -1.353 119.638 121.223 -0.386 0.000 2.179 129 L HA 0.034 4.375 4.340 0.001 0.000 0.208 129 L C 2.259 178.968 176.870 -0.268 0.000 1.096 129 L CA 0.930 55.528 54.840 -0.404 0.000 0.779 129 L CB -0.128 41.616 42.059 -0.525 0.000 0.922 129 L HN 0.466 nan 8.230 nan 0.000 0.443 130 G N -2.023 106.638 108.800 -0.231 0.000 3.502 130 G HA2 -0.094 3.867 3.960 0.001 0.000 0.267 130 G HA3 -0.094 3.867 3.960 0.001 0.000 0.267 130 G C 0.816 175.612 174.900 -0.173 0.000 1.090 130 G CA -0.159 44.840 45.100 -0.167 0.000 0.795 130 G HN 0.117 nan 8.290 nan 0.000 0.535 131 D N 0.860 121.088 120.400 -0.287 0.000 2.220 131 D HA -0.208 4.432 4.640 0.001 0.000 0.198 131 D C 1.017 177.146 176.300 -0.284 0.000 1.001 131 D CA 1.043 54.833 54.000 -0.351 0.000 0.875 131 D CB 0.044 40.504 40.800 -0.567 0.000 0.921 131 D HN 0.406 nan 8.370 nan 0.000 0.454 132 Y N -0.951 119.337 120.300 -0.020 0.000 2.470 132 Y HA 0.303 4.854 4.550 0.001 0.000 0.284 132 Y C 1.512 177.398 175.900 -0.023 0.000 1.188 132 Y CA 0.092 58.185 58.100 -0.013 0.000 1.269 132 Y CB -0.264 38.193 38.460 -0.005 0.000 1.094 132 Y HN 0.018 nan 8.280 nan 0.000 0.518 133 M N -0.953 118.681 119.600 0.057 0.000 2.306 133 M HA 0.144 4.625 4.480 0.001 0.000 0.292 133 M C 0.289 176.588 176.300 -0.002 0.000 1.018 133 M CA -0.089 55.218 55.300 0.011 0.000 1.007 133 M CB 0.212 32.785 32.600 -0.046 0.000 1.510 133 M HN 0.127 nan 8.290 nan 0.000 0.537 134 N N 1.800 120.510 118.700 0.016 0.000 2.686 134 N HA -0.154 4.587 4.740 0.001 0.000 0.261 134 N C -0.986 174.542 175.510 0.029 0.000 1.001 134 N CA 0.254 53.320 53.050 0.028 0.000 0.764 134 N CB -0.514 38.000 38.487 0.045 0.000 0.898 134 N HN 0.301 nan 8.380 nan 0.000 0.544 135 V N 0.940 120.858 119.914 0.007 0.000 2.612 135 V HA 0.530 4.651 4.120 0.001 0.000 0.301 135 V C -0.381 175.774 176.094 0.101 0.000 1.046 135 V CA -0.536 61.788 62.300 0.041 0.000 0.946 135 V CB 1.722 33.511 31.823 -0.058 0.000 1.003 135 V HN 0.327 nan 8.190 nan 0.000 0.459 136 Q N 5.047 124.987 119.800 0.233 0.000 2.325 136 Q HA 0.483 4.824 4.340 0.001 0.000 0.262 136 Q C -0.744 175.291 176.000 0.058 0.000 0.968 136 Q CA -0.115 55.711 55.803 0.038 0.000 0.877 136 Q CB 1.314 29.928 28.738 -0.205 0.000 1.253 136 Q HN 0.832 nan 8.270 nan 0.000 0.448 137 C N 3.198 122.526 119.300 0.047 0.000 2.608 137 C HA 0.686 5.147 4.460 0.001 0.000 0.325 137 C C -1.293 173.762 174.990 0.109 0.000 1.147 137 C CA -0.330 58.724 59.018 0.060 0.000 1.359 137 C CB 1.107 28.862 27.740 0.025 0.000 1.912 137 C HN 1.010 nan 8.230 nan 0.000 0.466 138 H N 2.868 121.934 119.070 -0.007 0.000 2.821 138 H HA 0.776 5.333 4.556 0.001 0.000 0.373 138 H C -0.567 174.762 175.328 0.001 0.000 1.165 138 H CA 0.445 56.492 56.048 -0.002 0.000 1.154 138 H CB 2.025 31.787 29.762 0.000 0.000 1.765 138 H HN 1.014 nan 8.280 nan 0.000 0.549 139 A N 2.759 125.096 122.820 -0.805 0.000 2.318 139 A HA 0.550 4.871 4.320 0.001 0.000 0.324 139 A C -0.699 176.423 177.584 -0.770 0.000 1.170 139 A CA -0.550 51.160 52.037 -0.546 0.000 0.810 139 A CB 0.281 19.100 19.000 -0.301 0.000 1.198 139 A HN 0.760 nan 8.150 nan 0.000 0.484 140 C N 1.690 120.809 119.300 -0.301 0.000 2.365 140 C HA 0.891 5.351 4.460 0.001 0.000 0.351 140 C C 0.295 175.257 174.990 -0.045 0.000 1.240 140 C CA 0.024 58.980 59.018 -0.102 0.000 2.062 140 C CB -0.834 26.919 27.740 0.022 0.000 2.387 140 C HN 0.863 nan 8.230 nan 0.000 0.537 141 I N 0.463 121.039 120.570 0.010 0.000 1.590 141 I HA 0.422 4.593 4.170 0.001 0.000 0.314 141 I C 0.399 176.537 176.117 0.034 0.000 3.144 141 I CA 0.771 62.085 61.300 0.024 0.000 1.036 141 I CB 0.290 38.297 38.000 0.013 0.000 2.509 141 I HN 0.909 nan 8.210 nan 0.000 0.693 142 G N 1.356 110.176 108.800 0.034 0.000 2.483 142 G HA2 0.409 4.370 3.960 0.001 0.000 0.196 142 G HA3 0.409 4.370 3.960 0.001 0.000 0.196 142 G C 1.043 175.961 174.900 0.030 0.000 2.335 142 G CA 1.005 46.124 45.100 0.033 0.000 1.576 142 G HN 2.285 nan 8.290 nan 0.000 0.499 143 G N -1.428 107.390 108.800 0.030 0.000 2.475 143 G HA2 -0.158 3.803 3.960 0.001 0.000 0.209 143 G HA3 -0.158 3.803 3.960 0.001 0.000 0.209 143 G C 1.353 176.265 174.900 0.019 0.000 1.127 143 G CA 1.398 46.512 45.100 0.023 0.000 0.681 143 G HN 1.683 nan 8.290 nan 0.000 0.517 144 T N 1.108 115.674 114.554 0.020 0.000 3.072 144 T HA 0.086 4.437 4.350 0.001 0.000 0.266 144 T C 1.634 176.345 174.700 0.019 0.000 1.127 144 T CA 1.336 63.446 62.100 0.016 0.000 1.107 144 T CB -0.113 68.764 68.868 0.016 0.000 0.910 144 T HN 0.469 nan 8.240 nan 0.000 0.513 145 N N 1.080 119.796 118.700 0.027 0.000 2.197 145 N HA -0.017 4.724 4.740 0.001 0.000 0.201 145 N C 1.973 177.505 175.510 0.037 0.000 1.148 145 N CA 0.419 53.490 53.050 0.035 0.000 0.883 145 N CB 0.495 39.014 38.487 0.053 0.000 1.012 145 N HN 0.309 nan 8.380 nan 0.000 0.507 146 V N -0.713 119.219 119.914 0.030 0.000 2.418 146 V HA -0.186 3.935 4.120 0.001 0.000 0.258 146 V C 2.222 178.323 176.094 0.012 0.000 1.088 146 V CA 2.276 64.591 62.300 0.025 0.000 1.091 146 V CB -1.597 30.233 31.823 0.012 0.000 0.669 146 V HN 0.190 nan 8.190 nan 0.000 0.461 147 G N -0.191 108.612 108.800 0.005 0.000 2.394 147 G HA2 -0.230 3.731 3.960 0.001 0.000 0.214 147 G HA3 -0.230 3.731 3.960 0.001 0.000 0.214 147 G C 1.444 176.336 174.900 -0.014 0.000 1.176 147 G CA 0.829 45.925 45.100 -0.006 0.000 0.786 147 G HN 0.581 nan 8.290 nan 0.000 0.533 148 E N 0.852 121.048 120.200 -0.007 0.000 2.150 148 E HA -0.077 4.274 4.350 0.001 0.000 0.193 148 E C 1.943 178.513 176.600 -0.050 0.000 0.985 148 E CA 1.053 57.439 56.400 -0.023 0.000 0.814 148 E CB -0.284 29.417 29.700 0.002 0.000 0.752 148 E HN 0.259 nan 8.360 nan 0.000 0.466 149 D N -0.099 120.306 120.400 0.008 0.000 2.087 149 D HA -0.153 4.488 4.640 0.001 0.000 0.192 149 D C 1.946 178.226 176.300 -0.033 0.000 0.993 149 D CA 1.543 55.571 54.000 0.048 0.000 0.828 149 D CB -0.231 40.632 40.800 0.106 0.000 0.968 149 D HN 0.288 nan 8.370 nan 0.000 0.448 150 I N 0.394 120.954 120.570 -0.018 0.000 2.394 150 I HA -0.199 3.971 4.170 0.001 0.000 0.251 150 I C 2.570 178.660 176.117 -0.045 0.000 1.136 150 I CA 0.590 61.873 61.300 -0.028 0.000 1.425 150 I CB -0.301 37.686 38.000 -0.022 0.000 1.079 150 I HN -0.002 nan 8.210 nan 0.000 0.425 151 R N 1.983 122.452 120.500 -0.053 0.000 2.094 151 R HA -0.226 4.115 4.340 0.001 0.000 0.239 151 R C 2.212 178.479 176.300 -0.056 0.000 1.137 151 R CA 1.884 57.952 56.100 -0.053 0.000 0.943 151 R CB -0.106 30.159 30.300 -0.058 0.000 0.850 151 R HN 0.298 nan 8.270 nan 0.000 0.433 152 K N 0.344 120.673 120.400 -0.119 0.000 2.062 152 K HA -0.055 4.266 4.320 0.001 0.000 0.205 152 K C 2.222 178.774 176.600 -0.080 0.000 1.051 152 K CA 1.240 57.455 56.287 -0.120 0.000 0.941 152 K CB -0.167 32.115 32.500 -0.363 0.000 0.719 152 K HN 0.214 nan 8.250 nan 0.000 0.440 153 L N 1.473 122.637 121.223 -0.098 0.000 2.137 153 L HA -0.277 4.064 4.340 0.001 0.000 0.213 153 L C 1.717 178.570 176.870 -0.029 0.000 1.085 153 L CA 1.172 55.986 54.840 -0.043 0.000 0.760 153 L CB -0.451 41.598 42.059 -0.017 0.000 0.893 153 L HN 0.268 nan 8.230 nan 0.000 0.434 154 D N -1.354 119.040 120.400 -0.010 0.000 2.213 154 D HA -0.180 4.461 4.640 0.001 0.000 0.205 154 D C 1.889 178.225 176.300 0.060 0.000 0.961 154 D CA 0.722 54.728 54.000 0.009 0.000 0.853 154 D CB -0.080 40.724 40.800 0.006 0.000 0.967 154 D HN 0.299 nan 8.370 nan 0.000 0.496 155 Y N 1.842 122.091 120.300 -0.085 0.000 2.465 155 Y HA 0.064 4.615 4.550 0.001 0.000 0.289 155 Y C 0.819 176.657 175.900 -0.103 0.000 1.150 155 Y CA 0.998 59.047 58.100 -0.085 0.000 1.293 155 Y CB -0.286 38.121 38.460 -0.088 0.000 0.977 155 Y HN 0.031 nan 8.280 nan 0.000 0.556 156 G N 2.170 110.896 108.800 -0.124 0.000 2.860 156 G HA2 -0.140 3.821 3.960 0.001 0.000 0.547 156 G HA3 -0.140 3.821 3.960 0.001 0.000 0.547 156 G C -1.111 173.571 174.900 -0.363 0.000 1.103 156 G CA -0.477 44.474 45.100 -0.249 0.000 1.126 156 G HN 0.205 nan 8.290 nan 0.000 0.490 157 Q N 1.178 120.852 119.800 -0.210 0.000 2.349 157 Q HA 0.340 4.681 4.340 0.001 0.000 0.254 157 Q C 1.399 177.337 176.000 -0.104 0.000 0.980 157 Q CA -0.447 55.263 55.803 -0.156 0.000 0.924 157 Q CB 0.644 29.367 28.738 -0.025 0.000 1.209 157 Q HN 0.818 nan 8.270 nan 0.000 0.445 158 H N 0.305 119.329 119.070 -0.078 0.000 2.426 158 H HA -0.049 4.508 4.556 0.001 0.000 0.298 158 H C 0.228 175.534 175.328 -0.037 0.000 1.107 158 H CA 0.819 56.831 56.048 -0.060 0.000 1.298 158 H CB 0.630 30.352 29.762 -0.067 0.000 1.377 158 H HN 0.182 nan 8.280 nan 0.000 0.519 159 V N 0.573 120.546 119.914 0.098 0.000 2.808 159 V HA 0.295 4.416 4.120 0.001 0.000 0.308 159 V C -0.821 175.299 176.094 0.043 0.000 1.099 159 V CA -0.849 61.483 62.300 0.053 0.000 0.920 159 V CB 2.692 34.538 31.823 0.037 0.000 1.014 159 V HN -0.159 nan 8.190 nan 0.000 0.425 160 V N 2.615 122.546 119.914 0.029 0.000 2.735 160 V HA 0.971 5.092 4.120 0.001 0.000 0.310 160 V C 0.025 176.116 176.094 -0.005 0.000 1.061 160 V CA -0.324 61.991 62.300 0.025 0.000 0.913 160 V CB 2.006 33.853 31.823 0.040 0.000 1.005 160 V HN 1.130 nan 8.190 nan 0.000 0.428 161 A N 2.371 125.171 122.820 -0.033 0.000 2.498 161 A HA 1.066 5.387 4.320 0.001 0.000 0.298 161 A C -0.172 177.372 177.584 -0.067 0.000 1.075 161 A CA -0.056 51.953 52.037 -0.047 0.000 0.714 161 A CB 2.170 21.146 19.000 -0.040 0.000 1.299 161 A HN 1.710 nan 8.150 nan 0.000 0.407 162 G N -0.437 108.327 108.800 -0.059 0.000 2.338 162 G HA2 0.605 4.566 3.960 0.001 0.000 0.295 162 G HA3 0.605 4.566 3.960 0.001 0.000 0.295 162 G C -0.370 174.496 174.900 -0.057 0.000 1.461 162 G CA 0.189 45.258 45.100 -0.052 0.000 0.817 162 G HN 1.586 nan 8.290 nan 0.000 0.556 163 T N -0.667 113.862 114.554 -0.042 0.000 2.856 163 T HA 0.421 4.772 4.350 0.001 0.000 0.306 163 T C -1.424 173.276 174.700 0.001 0.000 1.062 163 T CA -0.608 61.432 62.100 -0.100 0.000 1.083 163 T CB 1.624 70.499 68.868 0.011 0.000 0.984 163 T HN 0.142 nan 8.240 nan 0.000 0.542 164 P HA -0.034 nan 4.420 nan 0.000 0.216 164 P C 1.786 179.280 177.300 0.323 0.000 1.150 164 P CA 1.391 64.587 63.100 0.159 0.000 0.837 164 P CB -0.418 31.419 31.700 0.228 0.000 0.786 165 G N 0.167 109.251 108.800 0.472 0.000 2.604 165 G HA2 -0.302 3.659 3.960 0.001 0.000 0.216 165 G HA3 -0.302 3.659 3.960 0.001 0.000 0.216 165 G C 1.748 176.805 174.900 0.262 0.000 1.265 165 G CA 1.251 46.564 45.100 0.356 0.000 0.804 165 G HN 0.157 nan 8.290 nan 0.000 0.579 166 R N -0.006 120.611 120.500 0.195 0.000 2.096 166 R HA -0.100 4.241 4.340 0.001 0.000 0.240 166 R C 2.631 178.997 176.300 0.111 0.000 1.139 166 R CA 1.925 58.096 56.100 0.119 0.000 0.952 166 R CB -0.902 29.449 30.300 0.086 0.000 0.854 166 R HN 0.234 nan 8.270 nan 0.000 0.436 167 V N 0.589 120.579 119.914 0.126 0.000 2.392 167 V HA -0.226 3.895 4.120 0.001 0.000 0.249 167 V C 2.093 178.289 176.094 0.170 0.000 1.059 167 V CA 1.932 64.300 62.300 0.114 0.000 1.051 167 V CB -0.825 31.054 31.823 0.093 0.000 0.658 167 V HN 0.333 nan 8.190 nan 0.000 0.455 168 F N 1.657 121.631 119.950 0.041 0.000 2.134 168 F HA -0.133 4.395 4.527 0.001 0.000 0.299 168 F C 2.138 177.921 175.800 -0.028 0.000 1.097 168 F CA 1.826 59.840 58.000 0.023 0.000 1.264 168 F CB -0.690 38.357 39.000 0.078 0.000 1.001 168 F HN 0.249 nan 8.300 nan 0.000 0.479 169 D N 0.152 120.500 120.400 -0.088 0.000 2.108 169 D HA -0.219 4.422 4.640 0.001 0.000 0.190 169 D C 2.216 178.398 176.300 -0.196 0.000 0.995 169 D CA 1.822 55.686 54.000 -0.226 0.000 0.834 169 D CB -0.207 40.544 40.800 -0.081 0.000 0.967 169 D HN 0.106 nan 8.370 nan 0.000 0.446 170 M N 0.017 119.568 119.600 -0.082 0.000 2.331 170 M HA -0.139 4.342 4.480 0.001 0.000 0.260 170 M C 2.245 178.481 176.300 -0.106 0.000 1.072 170 M CA 0.900 56.160 55.300 -0.066 0.000 1.065 170 M CB -0.859 31.737 32.600 -0.006 0.000 1.392 170 M HN 0.257 nan 8.290 nan 0.000 0.427 171 I N -1.011 119.474 120.570 -0.143 0.000 2.400 171 I HA -0.209 3.962 4.170 0.001 0.000 0.248 171 I C 2.596 178.487 176.117 -0.376 0.000 1.109 171 I CA 0.680 61.859 61.300 -0.202 0.000 1.425 171 I CB -0.422 37.496 38.000 -0.137 0.000 1.094 171 I HN 0.260 nan 8.210 nan 0.000 0.425 172 R N 1.960 122.155 120.500 -0.509 0.000 2.073 172 R HA -0.091 4.250 4.340 0.001 0.000 0.234 172 R C 2.023 178.147 176.300 -0.293 0.000 1.134 172 R CA 1.411 57.196 56.100 -0.525 0.000 0.952 172 R CB -0.265 29.619 30.300 -0.695 0.000 0.850 172 R HN 0.169 nan 8.270 nan 0.000 0.433 173 R N 0.387 120.748 120.500 -0.231 0.000 2.366 173 R HA 0.040 4.381 4.340 0.001 0.000 0.201 173 R C 0.025 176.258 176.300 -0.111 0.000 1.057 173 R CA 0.444 56.458 56.100 -0.142 0.000 1.086 173 R CB -0.076 30.158 30.300 -0.110 0.000 0.914 173 R HN 0.201 nan 8.270 nan 0.000 0.476 174 R N -1.691 118.732 120.500 -0.130 0.000 3.946 174 R HA -0.198 4.142 4.340 0.001 0.000 0.329 174 R C 0.854 177.117 176.300 -0.063 0.000 1.209 174 R CA 1.111 57.158 56.100 -0.088 0.000 0.909 174 R CB -2.455 27.809 30.300 -0.060 0.000 1.355 174 R HN 0.140 nan 8.270 nan 0.000 0.539 175 S N -0.857 114.803 115.700 -0.067 0.000 2.406 175 S HA 0.100 4.571 4.470 0.001 0.000 0.224 175 S C 0.635 175.215 174.600 -0.033 0.000 1.030 175 S CA 0.414 58.588 58.200 -0.044 0.000 0.958 175 S CB 0.150 63.327 63.200 -0.040 0.000 0.811 175 S HN 0.253 nan 8.310 nan 0.000 0.489 176 L N 3.551 124.751 121.223 -0.037 0.000 2.264 176 L HA 0.413 4.754 4.340 0.001 0.000 0.289 176 L C -0.523 176.335 176.870 -0.019 0.000 1.044 176 L CA -0.413 54.416 54.840 -0.019 0.000 0.807 176 L CB 0.503 42.557 42.059 -0.008 0.000 1.192 176 L HN -0.136 nan 8.230 nan 0.000 0.425 177 R N 3.594 124.087 120.500 -0.012 0.000 2.308 177 R HA 0.168 4.509 4.340 0.001 0.000 0.325 177 R C 1.282 177.585 176.300 0.005 0.000 1.161 177 R CA 0.519 56.615 56.100 -0.006 0.000 1.022 177 R CB 0.111 30.405 30.300 -0.010 0.000 1.091 177 R HN 0.874 nan 8.270 nan 0.000 0.497 178 T N -0.303 114.262 114.554 0.018 0.000 2.812 178 T HA -0.173 4.178 4.350 0.001 0.000 0.264 178 T C 1.813 176.523 174.700 0.016 0.000 1.042 178 T CA 0.684 62.800 62.100 0.026 0.000 1.140 178 T CB 0.038 68.940 68.868 0.058 0.000 0.870 178 T HN 0.579 nan 8.240 nan 0.000 0.445 179 R N 1.772 122.282 120.500 0.017 0.000 2.327 179 R HA -0.303 4.038 4.340 0.001 0.000 0.239 179 R C 2.052 178.354 176.300 0.003 0.000 1.085 179 R CA 2.504 58.609 56.100 0.009 0.000 0.890 179 R CB -1.157 29.147 30.300 0.008 0.000 0.983 179 R HN 0.566 nan 8.270 nan 0.000 0.419 180 A N 0.052 122.874 122.820 0.003 0.000 2.415 180 A HA 0.288 4.609 4.320 0.001 0.000 0.248 180 A C 0.603 178.188 177.584 0.003 0.000 1.299 180 A CA -0.373 51.666 52.037 0.003 0.000 0.899 180 A CB 0.021 19.024 19.000 0.006 0.000 0.997 180 A HN 0.299 nan 8.150 nan 0.000 0.506 181 I N 0.909 121.479 120.570 0.000 0.000 2.556 181 I HA 0.031 4.202 4.170 0.001 0.000 0.284 181 I C 1.198 177.309 176.117 -0.011 0.000 1.114 181 I CA 0.202 61.501 61.300 -0.003 0.000 1.418 181 I CB 1.139 39.136 38.000 -0.004 0.000 1.394 181 I HN 0.456 nan 8.210 nan 0.000 0.552 182 K N 6.460 126.853 120.400 -0.011 0.000 2.501 182 K HA 0.401 4.722 4.320 0.001 0.000 0.204 182 K C -0.233 176.355 176.600 -0.020 0.000 1.067 182 K CA -0.374 55.905 56.287 -0.014 0.000 1.060 182 K CB 0.908 33.402 32.500 -0.009 0.000 0.873 182 K HN 0.584 nan 8.250 nan 0.000 0.540 183 M N 1.851 121.436 119.600 -0.026 0.000 2.296 183 M HA 0.294 4.775 4.480 0.001 0.000 0.268 183 M C -2.423 173.843 176.300 -0.057 0.000 1.048 183 M CA -0.957 54.319 55.300 -0.040 0.000 0.966 183 M CB 2.078 34.657 32.600 -0.034 0.000 1.912 183 M HN 0.196 nan 8.290 nan 0.000 0.484 184 L N 6.288 127.461 121.223 -0.083 0.000 2.313 184 L HA 0.836 5.177 4.340 0.001 0.000 0.283 184 L C -1.857 174.908 176.870 -0.175 0.000 1.013 184 L CA -0.368 54.404 54.840 -0.113 0.000 0.816 184 L CB 1.935 43.929 42.059 -0.109 0.000 1.236 184 L HN 0.550 nan 8.230 nan 0.000 0.419 185 V N 6.726 126.518 119.914 -0.202 0.000 2.409 185 V HA 0.403 4.524 4.120 0.001 0.000 0.291 185 V C -0.094 175.811 176.094 -0.315 0.000 1.020 185 V CA -0.446 61.672 62.300 -0.303 0.000 0.848 185 V CB 1.609 33.183 31.823 -0.415 0.000 0.990 185 V HN 0.628 nan 8.190 nan 0.000 0.430 186 L N 4.523 125.561 121.223 -0.309 0.000 2.360 186 L HA 0.433 4.773 4.340 0.001 0.000 0.265 186 L C 0.287 176.996 176.870 -0.269 0.000 1.066 186 L CA -0.237 54.449 54.840 -0.257 0.000 0.929 186 L CB 0.614 42.547 42.059 -0.210 0.000 1.306 186 L HN 0.611 nan 8.230 nan 0.000 0.434 187 D N 3.349 123.564 120.400 -0.307 0.000 2.372 187 D HA -0.033 4.607 4.640 0.001 0.000 0.243 187 D C 0.426 176.640 176.300 -0.143 0.000 1.121 187 D CA 0.187 54.033 54.000 -0.256 0.000 0.898 187 D CB 0.898 41.558 40.800 -0.232 0.000 1.202 187 D HN 0.534 nan 8.370 nan 0.000 0.428 188 E N 0.946 121.095 120.200 -0.086 0.000 2.238 188 E HA -0.310 4.041 4.350 0.001 0.000 0.219 188 E C 0.928 177.485 176.600 -0.072 0.000 1.275 188 E CA 0.285 56.652 56.400 -0.055 0.000 0.714 188 E CB -1.059 28.618 29.700 -0.039 0.000 1.154 188 E HN 0.537 nan 8.360 nan 0.000 0.363 189 A N 1.617 124.387 122.820 -0.083 0.000 1.892 189 A HA -0.300 4.021 4.320 0.001 0.000 0.218 189 A C 1.949 179.514 177.584 -0.033 0.000 1.188 189 A CA 2.039 54.032 52.037 -0.073 0.000 0.631 189 A CB -0.315 18.639 19.000 -0.076 0.000 0.822 189 A HN 0.623 nan 8.150 nan 0.000 0.447 190 D N -0.249 120.139 120.400 -0.019 0.000 2.149 190 D HA -0.257 4.384 4.640 0.001 0.000 0.194 190 D C 1.582 177.894 176.300 0.019 0.000 1.001 190 D CA 1.874 55.879 54.000 0.008 0.000 0.849 190 D CB -0.570 40.238 40.800 0.013 0.000 0.939 190 D HN 0.467 nan 8.370 nan 0.000 0.449 191 E N 0.152 120.355 120.200 0.004 0.000 2.047 191 E HA -0.063 4.288 4.350 0.001 0.000 0.191 191 E C 2.464 179.079 176.600 0.025 0.000 0.987 191 E CA 0.769 57.178 56.400 0.014 0.000 0.799 191 E CB -0.273 29.425 29.700 -0.003 0.000 0.752 191 E HN 0.257 nan 8.360 nan 0.000 0.449 192 M N -0.044 119.539 119.600 -0.028 0.000 2.146 192 M HA -0.251 4.229 4.480 0.001 0.000 0.256 192 M C 2.168 178.561 176.300 0.155 0.000 1.075 192 M CA 1.431 56.702 55.300 -0.048 0.000 1.082 192 M CB -0.783 31.745 32.600 -0.121 0.000 1.355 192 M HN 0.196 nan 8.290 nan 0.000 0.402 193 L N -0.554 120.735 121.223 0.109 0.000 2.072 193 L HA -0.164 4.177 4.340 0.001 0.000 0.205 193 L C 1.951 178.897 176.870 0.127 0.000 1.079 193 L CA 1.020 55.938 54.840 0.130 0.000 0.752 193 L CB -0.907 41.204 42.059 0.086 0.000 0.906 193 L HN 0.283 nan 8.230 nan 0.000 0.436 194 N N 0.459 119.220 118.700 0.102 0.000 2.272 194 N HA -0.162 4.579 4.740 0.001 0.000 0.185 194 N C 1.270 176.846 175.510 0.110 0.000 1.014 194 N CA 1.127 54.229 53.050 0.087 0.000 0.870 194 N CB -0.093 38.435 38.487 0.068 0.000 0.975 194 N HN 0.271 nan 8.380 nan 0.000 0.433 195 K N -0.140 120.370 120.400 0.184 0.000 2.410 195 K HA 0.181 4.502 4.320 0.001 0.000 0.200 195 K C 0.217 176.927 176.600 0.183 0.000 1.023 195 K CA 0.050 56.483 56.287 0.243 0.000 1.149 195 K CB 0.286 33.049 32.500 0.438 0.000 0.859 195 K HN 0.159 nan 8.250 nan 0.000 0.514 196 G N 1.665 110.555 108.800 0.150 0.000 2.370 196 G HA2 -0.246 3.715 3.960 0.001 0.000 0.293 196 G HA3 -0.246 3.715 3.960 0.001 0.000 0.293 196 G C -0.008 174.872 174.900 -0.033 0.000 0.992 196 G CA -0.081 45.049 45.100 0.050 0.000 1.247 196 G HN 0.343 nan 8.290 nan 0.000 0.505 197 F N -0.138 119.834 119.950 0.037 0.000 2.661 197 F HA 0.279 4.807 4.527 0.001 0.000 0.306 197 F C 2.160 177.991 175.800 0.052 0.000 1.094 197 F CA 0.233 58.257 58.000 0.039 0.000 1.254 197 F CB 0.349 39.365 39.000 0.026 0.000 1.040 197 F HN 0.374 nan 8.300 nan 0.000 0.562 198 K N 0.844 121.370 120.400 0.211 0.000 2.023 198 K HA -0.306 4.015 4.320 0.001 0.000 0.227 198 K C 1.884 178.662 176.600 0.297 0.000 1.054 198 K CA 2.437 58.857 56.287 0.221 0.000 0.977 198 K CB -0.070 32.545 32.500 0.190 0.000 0.733 198 K HN 0.088 nan 8.250 nan 0.000 0.451 199 E N 0.558 120.881 120.200 0.206 0.000 2.033 199 E HA -0.238 4.113 4.350 0.001 0.000 0.199 199 E C 2.200 178.868 176.600 0.114 0.000 1.011 199 E CA 1.708 58.209 56.400 0.167 0.000 0.815 199 E CB -0.479 29.254 29.700 0.055 0.000 0.755 199 E HN 0.415 nan 8.360 nan 0.000 0.451 200 Q N 0.359 120.200 119.800 0.069 0.000 2.096 200 Q HA -0.176 4.165 4.340 0.001 0.000 0.208 200 Q C 2.292 178.279 176.000 -0.022 0.000 0.993 200 Q CA 1.410 57.205 55.803 -0.014 0.000 0.862 200 Q CB -0.315 28.523 28.738 0.167 0.000 0.915 200 Q HN 0.303 nan 8.270 nan 0.000 0.416 201 I N -0.537 120.083 120.570 0.084 0.000 2.076 201 I HA -0.320 3.851 4.170 0.001 0.000 0.237 201 I C 1.986 178.142 176.117 0.065 0.000 1.059 201 I CA 1.798 63.123 61.300 0.040 0.000 1.317 201 I CB -1.399 36.588 38.000 -0.022 0.000 1.037 201 I HN 0.258 nan 8.210 nan 0.000 0.398 202 Y N 1.602 121.956 120.300 0.090 0.000 2.102 202 Y HA -0.322 4.228 4.550 0.001 0.000 0.280 202 Y C 2.598 178.535 175.900 0.062 0.000 1.178 202 Y CA 1.993 60.151 58.100 0.095 0.000 1.146 202 Y CB -0.581 37.868 38.460 -0.019 0.000 0.968 202 Y HN 0.277 nan 8.280 nan 0.000 0.504 203 D N -0.534 119.892 120.400 0.042 0.000 2.104 203 D HA -0.176 4.465 4.640 0.001 0.000 0.194 203 D C 2.288 178.562 176.300 -0.043 0.000 0.994 203 D CA 1.755 55.646 54.000 -0.181 0.000 0.830 203 D CB -0.610 39.712 40.800 -0.795 0.000 0.959 203 D HN 0.193 nan 8.370 nan 0.000 0.452 204 V N 0.402 120.290 119.914 -0.042 0.000 2.490 204 V HA -0.258 3.863 4.120 0.001 0.000 0.250 204 V C 2.189 178.398 176.094 0.191 0.000 1.061 204 V CA 1.261 63.653 62.300 0.153 0.000 1.064 204 V CB -0.784 31.107 31.823 0.113 0.000 0.670 204 V HN 0.168 nan 8.190 nan 0.000 0.461 205 Y N 1.284 121.639 120.300 0.090 0.000 2.293 205 Y HA -0.107 4.444 4.550 0.001 0.000 0.291 205 Y C 2.533 178.487 175.900 0.090 0.000 1.137 205 Y CA 1.424 59.581 58.100 0.094 0.000 1.202 205 Y CB -0.252 38.364 38.460 0.259 0.000 0.990 205 Y HN 0.065 nan 8.280 nan 0.000 0.537 206 R N -1.211 119.338 120.500 0.081 0.000 2.357 206 R HA -0.123 4.218 4.340 0.001 0.000 0.202 206 R C 0.103 176.185 176.300 -0.362 0.000 1.047 206 R CA 1.140 57.178 56.100 -0.104 0.000 1.034 206 R CB -0.175 30.070 30.300 -0.091 0.000 0.875 206 R HN 0.437 nan 8.270 nan 0.000 0.473 207 Y N -1.910 118.375 120.300 -0.024 0.000 2.610 207 Y HA 0.245 4.796 4.550 0.001 0.000 0.254 207 Y C -0.217 175.647 175.900 -0.060 0.000 1.110 207 Y CA -0.493 57.606 58.100 -0.002 0.000 1.238 207 Y CB 0.764 39.276 38.460 0.086 0.000 1.322 207 Y HN -0.144 nan 8.280 nan 0.000 0.547 208 L N 1.258 122.447 121.223 -0.057 0.000 2.416 208 L HA 0.460 4.800 4.340 0.001 0.000 0.262 208 L C -2.158 174.613 176.870 -0.165 0.000 1.093 208 L CA -2.096 52.682 54.840 -0.104 0.000 0.801 208 L CB 0.379 42.346 42.059 -0.153 0.000 1.191 208 L HN -0.202 nan 8.230 nan 0.000 0.459 209 P HA -0.008 nan 4.420 nan 0.000 0.264 209 P C -1.888 175.334 177.300 -0.130 0.000 1.183 209 P CA -0.832 62.214 63.100 -0.089 0.000 0.763 209 P CB 0.057 31.727 31.700 -0.050 0.000 0.807 210 P HA -0.227 nan 4.420 nan 0.000 0.216 210 P C 0.238 177.523 177.300 -0.025 0.000 1.167 210 P CA 1.733 64.788 63.100 -0.076 0.000 0.914 210 P CB -0.218 31.460 31.700 -0.036 0.000 0.793 211 A N 0.541 123.354 122.820 -0.011 0.000 3.056 211 A HA 0.357 4.678 4.320 0.001 0.000 0.274 211 A C 0.135 177.726 177.584 0.011 0.000 1.661 211 A CA -0.021 52.025 52.037 0.015 0.000 1.363 211 A CB -1.037 17.967 19.000 0.006 0.000 1.139 211 A HN 0.112 nan 8.150 nan 0.000 0.598 212 T N 1.471 116.043 114.554 0.030 0.000 2.829 212 T HA 0.306 4.656 4.350 0.001 0.000 0.282 212 T C 0.107 174.825 174.700 0.030 0.000 0.990 212 T CA -0.270 61.841 62.100 0.018 0.000 1.028 212 T CB 1.197 70.059 68.868 -0.010 0.000 0.951 212 T HN 0.722 nan 8.240 nan 0.000 0.460 213 Q N 2.671 122.467 119.800 -0.006 0.000 2.297 213 Q HA 0.377 4.718 4.340 0.001 0.000 0.267 213 Q C -1.303 174.658 176.000 -0.064 0.000 1.006 213 Q CA -0.221 55.566 55.803 -0.027 0.000 0.896 213 Q CB 0.407 29.129 28.738 -0.026 0.000 1.186 213 Q HN 0.434 nan 8.270 nan 0.000 0.392 214 V N 5.094 124.946 119.914 -0.104 0.000 2.443 214 V HA 0.296 4.417 4.120 0.001 0.000 0.293 214 V C -0.568 175.418 176.094 -0.179 0.000 1.021 214 V CA -0.863 61.322 62.300 -0.191 0.000 0.848 214 V CB 1.674 33.290 31.823 -0.344 0.000 0.998 214 V HN 0.596 nan 8.190 nan 0.000 0.424 215 V N 6.477 126.283 119.914 -0.180 0.000 2.333 215 V HA 0.412 4.533 4.120 0.001 0.000 0.274 215 V C -0.111 175.859 176.094 -0.208 0.000 1.028 215 V CA -0.323 61.878 62.300 -0.165 0.000 0.851 215 V CB 1.529 33.259 31.823 -0.155 0.000 1.000 215 V HN 0.745 nan 8.190 nan 0.000 0.456 216 L N 6.599 127.716 121.223 -0.176 0.000 2.282 216 L HA 0.607 4.948 4.340 0.001 0.000 0.288 216 L C -0.846 175.933 176.870 -0.152 0.000 1.033 216 L CA -0.395 54.339 54.840 -0.178 0.000 0.807 216 L CB 0.958 42.933 42.059 -0.141 0.000 1.209 216 L HN 0.392 nan 8.230 nan 0.000 0.423 217 I N 4.193 124.661 120.570 -0.170 0.000 2.377 217 I HA 0.519 4.689 4.170 0.001 0.000 0.293 217 I C -0.065 176.001 176.117 -0.085 0.000 0.987 217 I CA -0.208 61.023 61.300 -0.116 0.000 1.185 217 I CB 1.395 39.319 38.000 -0.126 0.000 1.341 217 I HN 0.663 nan 8.210 nan 0.000 0.455 218 S N 3.522 119.191 115.700 -0.052 0.000 2.570 218 S HA 0.546 5.017 4.470 0.001 0.000 0.286 218 S C 0.478 175.067 174.600 -0.018 0.000 1.143 218 S CA 0.070 58.248 58.200 -0.037 0.000 0.921 218 S CB 1.367 64.539 63.200 -0.047 0.000 1.108 218 S HN 0.741 nan 8.310 nan 0.000 0.456 219 A N 3.143 125.962 122.820 -0.002 0.000 1.908 219 A HA 0.195 4.516 4.320 0.001 0.000 0.218 219 A C 1.321 178.911 177.584 0.011 0.000 1.181 219 A CA 2.091 54.133 52.037 0.009 0.000 0.627 219 A CB -1.046 17.964 19.000 0.017 0.000 0.818 219 A HN 1.473 nan 8.150 nan 0.000 0.445 220 T N -3.655 110.905 114.554 0.011 0.000 2.930 220 T HA 0.679 5.030 4.350 0.001 0.000 0.290 220 T C -0.692 174.016 174.700 0.014 0.000 1.052 220 T CA -0.749 61.364 62.100 0.021 0.000 1.017 220 T CB 1.560 70.448 68.868 0.034 0.000 1.137 220 T HN 0.140 nan 8.240 nan 0.000 0.511 221 L N 1.744 122.985 121.223 0.031 0.000 2.490 221 L HA 0.397 4.738 4.340 0.001 0.000 0.256 221 L C -2.592 174.309 176.870 0.052 0.000 1.089 221 L CA -1.785 53.071 54.840 0.028 0.000 0.916 221 L CB 1.466 43.522 42.059 -0.005 0.000 1.188 221 L HN 0.489 nan 8.230 nan 0.000 0.476 222 P HA 0.123 nan 4.420 nan 0.000 0.272 222 P C 0.125 177.502 177.300 0.129 0.000 1.240 222 P CA -0.343 62.836 63.100 0.131 0.000 0.791 222 P CB 0.470 32.266 31.700 0.160 0.000 0.978 223 H N -0.513 118.589 119.070 0.053 0.000 2.568 223 H HA -0.040 4.517 4.556 0.001 0.000 0.275 223 H C 1.194 176.544 175.328 0.037 0.000 1.028 223 H CA 0.786 56.861 56.048 0.046 0.000 1.173 223 H CB -0.490 29.287 29.762 0.026 0.000 1.335 223 H HN 0.572 nan 8.280 nan 0.000 0.614 224 E N 0.094 120.395 120.200 0.168 0.000 2.508 224 E HA 0.033 4.384 4.350 0.001 0.000 0.217 224 E C 1.237 177.882 176.600 0.074 0.000 0.896 224 E CA 0.043 56.505 56.400 0.103 0.000 1.118 224 E CB 0.370 30.124 29.700 0.090 0.000 1.133 224 E HN 0.246 nan 8.360 nan 0.000 0.526 225 I N 1.269 121.878 120.570 0.066 0.000 2.617 225 I HA -0.084 4.086 4.170 0.001 0.000 0.256 225 I C 2.114 178.242 176.117 0.018 0.000 1.167 225 I CA 0.655 61.973 61.300 0.030 0.000 1.469 225 I CB -0.262 37.747 38.000 0.014 0.000 1.098 225 I HN 0.273 nan 8.210 nan 0.000 0.436 226 L N 0.209 121.456 121.223 0.040 0.000 2.072 226 L HA -0.140 4.201 4.340 0.001 0.000 0.205 226 L C 2.484 179.368 176.870 0.022 0.000 1.079 226 L CA 0.896 55.759 54.840 0.039 0.000 0.752 226 L CB -0.471 41.642 42.059 0.089 0.000 0.906 226 L HN 0.072 nan 8.230 nan 0.000 0.436 227 E N 0.010 120.229 120.200 0.032 0.000 2.267 227 E HA -0.266 4.084 4.350 0.001 0.000 0.197 227 E C 2.006 178.588 176.600 -0.030 0.000 0.998 227 E CA 1.352 57.760 56.400 0.013 0.000 0.830 227 E CB -0.065 29.655 29.700 0.034 0.000 0.751 227 E HN 0.396 nan 8.360 nan 0.000 0.491 228 M N -0.764 118.805 119.600 -0.052 0.000 2.429 228 M HA -0.096 4.384 4.480 0.001 0.000 0.265 228 M C 1.974 178.178 176.300 -0.160 0.000 1.120 228 M CA 1.546 56.709 55.300 -0.228 0.000 1.173 228 M CB -0.168 32.324 32.600 -0.181 0.000 1.343 228 M HN 0.150 nan 8.290 nan 0.000 0.464 229 T N 0.606 115.173 114.554 0.021 0.000 2.595 229 T HA -0.201 4.150 4.350 0.001 0.000 0.264 229 T C 1.290 176.031 174.700 0.069 0.000 1.058 229 T CA 2.067 64.220 62.100 0.088 0.000 1.166 229 T CB -1.534 67.339 68.868 0.009 0.000 0.863 229 T HN 0.606 nan 8.240 nan 0.000 0.415 230 N N 1.370 120.074 118.700 0.007 0.000 2.520 230 N HA -0.035 4.706 4.740 0.001 0.000 0.185 230 N C 1.523 177.017 175.510 -0.028 0.000 1.068 230 N CA 0.875 53.925 53.050 0.001 0.000 0.911 230 N CB -0.362 38.125 38.487 -0.001 0.000 0.961 230 N HN 0.484 nan 8.380 nan 0.000 0.446 231 K N 0.024 120.353 120.400 -0.117 0.000 2.366 231 K HA 0.073 4.394 4.320 0.001 0.000 0.198 231 K C -0.247 176.232 176.600 -0.203 0.000 1.044 231 K CA 0.665 56.822 56.287 -0.216 0.000 0.973 231 K CB 0.003 32.298 32.500 -0.342 0.000 0.767 231 K HN 0.532 nan 8.250 nan 0.000 0.475 232 F N -1.761 118.048 119.950 -0.234 0.000 2.514 232 F HA 0.414 4.942 4.527 0.001 0.000 0.374 232 F C -1.002 174.631 175.800 -0.278 0.000 1.532 232 F CA -1.175 56.591 58.000 -0.391 0.000 1.082 232 F CB 0.253 38.547 39.000 -1.177 0.000 1.610 232 F HN -0.253 nan 8.300 nan 0.000 0.531 233 M N 3.155 122.818 119.600 0.105 0.000 2.265 233 M HA 0.244 4.725 4.480 0.001 0.000 0.251 233 M C -0.958 175.359 176.300 0.028 0.000 1.005 233 M CA -0.205 55.112 55.300 0.029 0.000 0.998 233 M CB 2.281 34.893 32.600 0.020 0.000 2.070 233 M HN 0.359 nan 8.290 nan 0.000 0.476 234 T N -0.289 114.278 114.554 0.021 0.000 2.806 234 T HA 0.351 4.702 4.350 0.001 0.000 0.290 234 T C 0.105 174.812 174.700 0.011 0.000 0.966 234 T CA -0.392 61.715 62.100 0.013 0.000 1.060 234 T CB 1.169 70.041 68.868 0.007 0.000 0.927 234 T HN 0.760 nan 8.240 nan 0.000 0.485 235 D N 3.407 123.814 120.400 0.012 0.000 3.060 235 D HA -0.115 4.526 4.640 0.001 0.000 0.209 235 D C -2.170 174.141 176.300 0.017 0.000 1.232 235 D CA 0.113 54.125 54.000 0.021 0.000 0.841 235 D CB -0.106 40.721 40.800 0.045 0.000 0.863 235 D HN 0.532 nan 8.370 nan 0.000 0.389 236 P HA 0.284 nan 4.420 nan 0.000 0.279 236 P C -0.068 177.228 177.300 -0.007 0.000 1.252 236 P CA -0.874 62.220 63.100 -0.009 0.000 0.811 236 P CB 0.911 32.595 31.700 -0.026 0.000 1.035 237 I N 2.474 123.039 120.570 -0.010 0.000 2.342 237 I HA 0.270 4.441 4.170 0.001 0.000 0.291 237 I C 1.098 177.198 176.117 -0.029 0.000 1.010 237 I CA -0.461 60.837 61.300 -0.003 0.000 1.308 237 I CB 0.480 38.484 38.000 0.006 0.000 1.400 237 I HN 0.307 nan 8.210 nan 0.000 0.488 238 R N 6.646 127.128 120.500 -0.032 0.000 2.346 238 R HA 0.615 4.956 4.340 0.001 0.000 0.311 238 R C -0.659 175.617 176.300 -0.040 0.000 0.983 238 R CA -0.544 55.515 56.100 -0.068 0.000 0.880 238 R CB 1.736 31.979 30.300 -0.096 0.000 1.100 238 R HN 0.483 nan 8.270 nan 0.000 0.453 239 I N 6.176 126.716 120.570 -0.049 0.000 2.464 239 I HA 0.231 4.402 4.170 0.001 0.000 0.277 239 I C -0.339 175.762 176.117 -0.027 0.000 1.040 239 I CA -0.322 60.966 61.300 -0.020 0.000 1.153 239 I CB 0.653 38.648 38.000 -0.007 0.000 1.274 239 I HN 0.350 nan 8.210 nan 0.000 0.469 240 L N 4.582 125.801 121.223 -0.008 0.000 2.492 240 L HA 0.553 4.894 4.340 0.001 0.000 0.263 240 L C 1.036 177.922 176.870 0.026 0.000 1.062 240 L CA -0.757 54.087 54.840 0.005 0.000 0.817 240 L CB 0.978 43.067 42.059 0.049 0.000 1.441 240 L HN 0.176 nan 8.230 nan 0.000 0.493 241 V N -1.372 118.564 119.914 0.037 0.000 2.672 241 V HA 0.098 4.218 4.120 0.001 0.000 0.242 241 V C 0.715 176.833 176.094 0.041 0.000 1.059 241 V CA 0.842 63.163 62.300 0.036 0.000 1.081 241 V CB -0.097 31.746 31.823 0.033 0.000 0.752 241 V HN 0.548 nan 8.190 nan 0.000 0.472 242 K N 1.027 121.460 120.400 0.054 0.000 2.110 242 K HA 0.396 4.717 4.320 0.001 0.000 0.263 242 K C -0.041 176.590 176.600 0.052 0.000 0.975 242 K CA -0.711 55.605 56.287 0.047 0.000 0.895 242 K CB 1.576 34.103 32.500 0.044 0.000 1.060 242 K HN 0.071 nan 8.250 nan 0.000 0.448 243 R N 2.226 122.748 120.500 0.036 0.000 2.480 243 R HA -0.083 4.258 4.340 0.001 0.000 0.303 243 R C -0.663 175.655 176.300 0.029 0.000 0.985 243 R CA 0.370 56.490 56.100 0.034 0.000 1.051 243 R CB 0.074 30.389 30.300 0.024 0.000 0.935 243 R HN 0.551 nan 8.270 nan 0.000 0.410 244 D N 3.610 124.035 120.400 0.042 0.000 2.217 244 D HA 0.143 4.783 4.640 0.001 0.000 0.243 244 D C -1.037 175.269 176.300 0.009 0.000 1.054 244 D CA -0.458 53.555 54.000 0.022 0.000 0.838 244 D CB 1.038 41.890 40.800 0.088 0.000 1.162 244 D HN 0.568 nan 8.370 nan 0.000 0.472 245 E N 2.551 122.741 120.200 -0.016 0.000 2.288 245 E HA 0.419 4.770 4.350 0.001 0.000 0.268 245 E C -0.736 175.852 176.600 -0.020 0.000 0.885 245 E CA -1.178 55.218 56.400 -0.007 0.000 0.767 245 E CB 1.321 31.023 29.700 0.004 0.000 1.220 245 E HN 0.195 nan 8.360 nan 0.000 0.427 246 L N 2.198 123.411 121.223 -0.017 0.000 2.543 246 L HA 0.179 4.520 4.340 0.001 0.000 0.285 246 L C 0.303 177.159 176.870 -0.023 0.000 1.236 246 L CA 1.228 56.047 54.840 -0.034 0.000 0.871 246 L CB 0.273 42.311 42.059 -0.035 0.000 1.121 246 L HN 0.904 nan 8.230 nan 0.000 0.501 247 T N 0.533 115.060 114.554 -0.046 0.000 3.291 247 T HA 0.422 4.772 4.350 0.001 0.000 0.344 247 T C -0.002 174.657 174.700 -0.068 0.000 1.293 247 T CA -0.885 61.194 62.100 -0.036 0.000 1.108 247 T CB 0.629 69.482 68.868 -0.025 0.000 1.231 247 T HN 0.236 nan 8.240 nan 0.000 0.474 248 L N -0.108 121.063 121.223 -0.086 0.000 2.672 248 L HA 0.457 4.798 4.340 0.001 0.000 0.236 248 L C 0.905 177.732 176.870 -0.071 0.000 1.186 248 L CA -0.301 54.474 54.840 -0.108 0.000 0.977 248 L CB -1.370 40.594 42.059 -0.159 0.000 1.203 248 L HN 0.746 nan 8.230 nan 0.000 0.448 249 E N 1.611 121.781 120.200 -0.050 0.000 2.414 249 E HA 0.282 4.633 4.350 0.001 0.000 0.263 249 E C 1.233 177.805 176.600 -0.047 0.000 1.000 249 E CA 1.053 57.430 56.400 -0.038 0.000 0.914 249 E CB 0.587 30.269 29.700 -0.030 0.000 0.948 249 E HN 0.518 nan 8.360 nan 0.000 0.444 250 G N 3.995 112.770 108.800 -0.043 0.000 2.213 250 G HA2 -0.250 3.710 3.960 0.001 0.000 0.236 250 G HA3 -0.250 3.710 3.960 0.001 0.000 0.236 250 G C 0.373 175.236 174.900 -0.062 0.000 0.991 250 G CA 0.100 45.173 45.100 -0.044 0.000 0.629 250 G HN 0.524 nan 8.290 nan 0.000 0.517 251 I N 1.810 122.331 120.570 -0.081 0.000 2.331 251 I HA 0.298 4.469 4.170 0.001 0.000 0.292 251 I C 0.033 176.057 176.117 -0.155 0.000 0.998 251 I CA -0.844 60.388 61.300 -0.115 0.000 1.267 251 I CB 1.330 39.252 38.000 -0.130 0.000 1.386 251 I HN -0.137 nan 8.210 nan 0.000 0.476 252 K N 7.138 127.408 120.400 -0.218 0.000 2.316 252 K HA 0.291 4.612 4.320 0.001 0.000 0.289 252 K C -0.524 175.715 176.600 -0.602 0.000 1.070 252 K CA -0.199 55.841 56.287 -0.412 0.000 0.928 252 K CB 0.835 33.084 32.500 -0.419 0.000 1.039 252 K HN 0.567 nan 8.250 nan 0.000 0.480 253 Q N 2.926 122.387 119.800 -0.566 0.000 2.316 253 Q HA 0.561 4.902 4.340 0.001 0.000 0.264 253 Q C -0.660 175.125 176.000 -0.359 0.000 0.987 253 Q CA -0.441 55.149 55.803 -0.354 0.000 0.852 253 Q CB 1.429 30.154 28.738 -0.022 0.000 1.287 253 Q HN 0.405 nan 8.270 nan 0.000 0.448 254 F N 1.273 121.308 119.950 0.141 0.000 2.675 254 F HA 0.696 5.224 4.527 0.002 0.000 0.324 254 F C -0.695 175.239 175.800 0.223 0.000 1.106 254 F CA -1.362 56.708 58.000 0.117 0.000 0.970 254 F CB 1.614 40.613 39.000 -0.002 0.000 1.385 254 F HN 0.519 nan 8.300 nan 0.000 0.489 255 F N -0.752 119.392 119.950 0.323 0.000 2.591 255 F HA 0.820 5.347 4.527 0.001 0.000 0.309 255 F C -1.982 173.944 175.800 0.211 0.000 1.098 255 F CA -1.340 56.801 58.000 0.235 0.000 0.937 255 F CB 1.025 40.130 39.000 0.175 0.000 1.250 255 F HN 0.129 nan 8.300 nan 0.000 0.447 256 V N 3.067 123.158 119.914 0.294 0.000 2.357 256 V HA 0.631 4.752 4.120 0.001 0.000 0.284 256 V C 0.427 176.683 176.094 0.269 0.000 1.018 256 V CA -0.735 61.669 62.300 0.174 0.000 0.841 256 V CB 1.071 33.054 31.823 0.267 0.000 0.991 256 V HN 1.103 nan 8.190 nan 0.000 0.437 257 A N 5.852 128.805 122.820 0.222 0.000 2.981 257 A HA 0.439 4.760 4.320 0.001 0.000 0.280 257 A C 0.570 178.248 177.584 0.156 0.000 1.797 257 A CA -0.013 52.184 52.037 0.266 0.000 1.456 257 A CB -0.611 18.552 19.000 0.272 0.000 1.057 257 A HN 1.122 nan 8.150 nan 0.000 0.602 258 V N 0.143 120.133 119.914 0.126 0.000 3.751 258 V HA 0.332 4.453 4.120 0.001 0.000 0.279 258 V C 0.799 176.984 176.094 0.152 0.000 1.010 258 V CA 0.521 62.877 62.300 0.094 0.000 1.015 258 V CB 0.492 32.303 31.823 -0.020 0.000 1.240 258 V HN 0.757 nan 8.190 nan 0.000 0.438 259 E N -0.094 120.236 120.200 0.217 0.000 2.444 259 E HA 0.233 4.584 4.350 0.001 0.000 0.203 259 E C 0.553 177.151 176.600 -0.003 0.000 0.847 259 E CA -0.141 56.339 56.400 0.133 0.000 1.142 259 E CB 0.514 30.346 29.700 0.219 0.000 1.125 259 E HN 0.795 nan 8.360 nan 0.000 0.521 260 R N 0.796 121.251 120.500 -0.076 0.000 2.867 260 R HA 0.309 4.650 4.340 0.001 0.000 0.268 260 R C 0.374 176.627 176.300 -0.080 0.000 1.014 260 R CA -0.487 55.518 56.100 -0.158 0.000 0.946 260 R CB 1.139 31.231 30.300 -0.345 0.000 1.208 260 R HN -0.234 nan 8.270 nan 0.000 0.477 261 E N 1.340 121.499 120.200 -0.067 0.000 2.097 261 E HA -0.209 4.142 4.350 0.001 0.000 0.196 261 E C 1.162 177.820 176.600 0.097 0.000 1.000 261 E CA 1.887 58.287 56.400 0.000 0.000 0.804 261 E CB 0.060 29.747 29.700 -0.022 0.000 0.740 261 E HN 0.597 nan 8.360 nan 0.000 0.454 262 E N -0.698 119.534 120.200 0.054 0.000 2.338 262 E HA -0.140 4.210 4.350 0.001 0.000 0.197 262 E C 1.408 178.265 176.600 0.428 0.000 1.007 262 E CA 0.474 57.001 56.400 0.213 0.000 0.849 262 E CB -0.167 29.609 29.700 0.127 0.000 0.774 262 E HN 0.333 nan 8.360 nan 0.000 0.506 263 W N 0.735 122.073 121.300 0.063 0.000 2.863 263 W HA 0.191 4.851 4.660 0.001 0.000 0.258 263 W C 1.488 177.982 176.519 -0.042 0.000 1.298 263 W CA -0.165 57.190 57.345 0.016 0.000 1.451 263 W CB -0.162 29.286 29.460 -0.021 0.000 1.107 263 W HN 0.051 nan 8.180 nan 0.000 0.641 264 K N -0.157 120.332 120.400 0.148 0.000 1.991 264 K HA -0.227 4.094 4.320 0.001 0.000 0.212 264 K C 1.958 178.610 176.600 0.086 0.000 1.049 264 K CA 1.807 58.002 56.287 -0.155 0.000 0.932 264 K CB -0.947 31.339 32.500 -0.357 0.000 0.717 264 K HN -0.081 nan 8.250 nan 0.000 0.441 265 F N 3.234 123.338 119.950 0.257 0.000 2.032 265 F HA -0.363 4.165 4.527 0.001 0.000 0.297 265 F C 1.815 177.663 175.800 0.081 0.000 1.125 265 F CA 1.883 60.026 58.000 0.237 0.000 1.202 265 F CB -0.788 38.350 39.000 0.231 0.000 0.958 265 F HN 0.139 nan 8.300 nan 0.000 0.491 266 D N -0.379 119.896 120.400 -0.209 0.000 2.133 266 D HA -0.209 4.431 4.640 0.001 0.000 0.192 266 D C 2.184 178.339 176.300 -0.242 0.000 1.001 266 D CA 2.486 56.266 54.000 -0.366 0.000 0.844 266 D CB -0.732 39.931 40.800 -0.228 0.000 0.944 266 D HN 0.358 nan 8.370 nan 0.000 0.447 267 T N 1.377 115.829 114.554 -0.170 0.000 2.803 267 T HA -0.164 4.187 4.350 0.001 0.000 0.269 267 T C 1.818 176.508 174.700 -0.017 0.000 1.052 267 T CA 0.490 62.498 62.100 -0.154 0.000 1.136 267 T CB -0.214 68.469 68.868 -0.309 0.000 0.864 267 T HN 0.034 nan 8.240 nan 0.000 0.467 268 L N 0.889 122.146 121.223 0.056 0.000 2.007 268 L HA 0.030 4.370 4.340 0.001 0.000 0.205 268 L C 2.534 179.466 176.870 0.104 0.000 1.073 268 L CA 1.427 56.451 54.840 0.307 0.000 0.744 268 L CB -1.319 41.024 42.059 0.474 0.000 0.898 268 L HN 0.289 nan 8.230 nan 0.000 0.435 269 C N 0.294 119.502 119.300 -0.153 0.000 2.367 269 C HA -0.231 4.230 4.460 0.001 0.000 0.276 269 C C 2.430 177.405 174.990 -0.024 0.000 1.195 269 C CA 1.021 59.883 59.018 -0.260 0.000 1.756 269 C CB -1.251 26.209 27.740 -0.467 0.000 2.046 269 C HN 0.603 nan 8.230 nan 0.000 0.453 270 D N 0.422 120.791 120.400 -0.051 0.000 2.157 270 D HA -0.193 4.448 4.640 0.001 0.000 0.191 270 D C 1.821 178.159 176.300 0.063 0.000 1.004 270 D CA 1.865 55.863 54.000 -0.002 0.000 0.854 270 D CB -0.524 40.252 40.800 -0.040 0.000 0.936 270 D HN 0.592 nan 8.370 nan 0.000 0.446 271 L N -0.731 120.552 121.223 0.101 0.000 2.418 271 L HA -0.018 4.323 4.340 0.001 0.000 0.218 271 L C 2.189 179.148 176.870 0.148 0.000 1.125 271 L CA 0.693 55.605 54.840 0.120 0.000 0.835 271 L CB -0.450 41.698 42.059 0.148 0.000 0.953 271 L HN -0.077 nan 8.230 nan 0.000 0.454 272 Y N 1.409 121.727 120.300 0.030 0.000 2.283 272 Y HA -0.356 4.195 4.550 0.001 0.000 0.285 272 Y C 1.627 177.564 175.900 0.062 0.000 1.176 272 Y CA 2.231 60.348 58.100 0.029 0.000 1.229 272 Y CB -0.370 38.066 38.460 -0.040 0.000 0.975 272 Y HN 0.536 nan 8.280 nan 0.000 0.537 273 D N -1.459 119.024 120.400 0.138 0.000 2.103 273 D HA -0.163 4.478 4.640 0.001 0.000 0.199 273 D C 2.025 178.312 176.300 -0.023 0.000 0.978 273 D CA 1.820 55.850 54.000 0.049 0.000 0.829 273 D CB -0.640 40.208 40.800 0.080 0.000 0.981 273 D HN 0.434 nan 8.370 nan 0.000 0.464 274 T N -1.281 113.275 114.554 0.003 0.000 3.160 274 T HA 0.075 4.426 4.350 0.001 0.000 0.257 274 T C 1.535 176.217 174.700 -0.029 0.000 1.147 274 T CA -0.107 61.988 62.100 -0.008 0.000 1.064 274 T CB -0.303 68.570 68.868 0.009 0.000 0.949 274 T HN 0.198 nan 8.240 nan 0.000 0.526 275 L N 1.727 122.908 121.223 -0.071 0.000 2.051 275 L HA 0.023 4.364 4.340 0.001 0.000 0.202 275 L C 2.657 179.443 176.870 -0.139 0.000 1.097 275 L CA 1.650 56.432 54.840 -0.097 0.000 0.762 275 L CB -0.934 41.047 42.059 -0.129 0.000 0.913 275 L HN 0.341 nan 8.230 nan 0.000 0.447 276 T N -0.662 113.729 114.554 -0.270 0.000 2.969 276 T HA -0.219 4.131 4.350 0.001 0.000 0.271 276 T C 1.857 176.491 174.700 -0.110 0.000 1.127 276 T CA 1.491 63.467 62.100 -0.207 0.000 1.102 276 T CB -1.008 67.704 68.868 -0.260 0.000 0.855 276 T HN 0.404 nan 8.240 nan 0.000 0.536 277 I N 1.267 121.784 120.570 -0.089 0.000 2.229 277 I HA -0.194 3.976 4.170 0.001 0.000 0.250 277 I C 1.731 177.820 176.117 -0.046 0.000 1.096 277 I CA 1.449 62.719 61.300 -0.051 0.000 1.358 277 I CB -0.459 37.522 38.000 -0.032 0.000 1.047 277 I HN 0.441 nan 8.210 nan 0.000 0.422 278 T N -1.887 112.638 114.554 -0.049 0.000 2.804 278 T HA 0.343 4.693 4.350 0.001 0.000 0.290 278 T C -0.374 174.300 174.700 -0.043 0.000 1.099 278 T CA -0.757 61.317 62.100 -0.043 0.000 1.011 278 T CB 1.591 70.445 68.868 -0.023 0.000 1.291 278 T HN 0.074 nan 8.240 nan 0.000 0.523 279 Q N 0.028 119.802 119.800 -0.044 0.000 2.370 279 Q HA 0.679 5.020 4.340 0.001 0.000 0.186 279 Q C -0.508 175.562 176.000 0.118 0.000 1.093 279 Q CA -0.756 55.054 55.803 0.011 0.000 1.142 279 Q CB 0.671 29.305 28.738 -0.172 0.000 1.175 279 Q HN 0.900 nan 8.270 nan 0.000 0.625 280 A N -0.325 122.655 122.820 0.267 0.000 2.590 280 A HA 0.501 4.822 4.320 0.001 0.000 0.296 280 A C -1.671 175.965 177.584 0.086 0.000 1.050 280 A CA -0.578 51.546 52.037 0.144 0.000 0.697 280 A CB 1.271 20.309 19.000 0.063 0.000 1.277 280 A HN 0.311 nan 8.150 nan 0.000 0.411 281 V N 2.436 122.309 119.914 -0.067 0.000 2.448 281 V HA 0.520 4.641 4.120 0.001 0.000 0.295 281 V C -0.539 175.390 176.094 -0.276 0.000 1.025 281 V CA -0.224 61.892 62.300 -0.307 0.000 0.859 281 V CB 1.409 32.956 31.823 -0.461 0.000 0.988 281 V HN 0.679 nan 8.190 nan 0.000 0.431 282 I N 5.333 125.737 120.570 -0.276 0.000 2.362 282 I HA 0.440 4.611 4.170 0.001 0.000 0.289 282 I C -0.295 175.720 176.117 -0.169 0.000 0.994 282 I CA -0.088 61.133 61.300 -0.132 0.000 1.158 282 I CB 1.363 39.351 38.000 -0.020 0.000 1.315 282 I HN 0.419 nan 8.210 nan 0.000 0.451 283 F N 4.158 124.157 119.950 0.081 0.000 2.291 283 F HA 0.602 5.130 4.527 0.001 0.000 0.305 283 F C 0.606 176.504 175.800 0.164 0.000 1.171 283 F CA 0.116 58.187 58.000 0.118 0.000 1.090 283 F CB 1.048 40.115 39.000 0.110 0.000 1.436 283 F HN 0.377 nan 8.300 nan 0.000 0.509 284 C N 0.029 119.589 119.300 0.434 0.000 3.253 284 C HA 0.151 4.612 4.460 0.001 0.000 0.342 284 C C 0.352 175.500 174.990 0.264 0.000 1.306 284 C CA -1.147 58.066 59.018 0.325 0.000 1.207 284 C CB 1.415 29.301 27.740 0.243 0.000 1.479 284 C HN 0.833 nan 8.230 nan 0.000 0.469 285 N N -0.150 118.675 118.700 0.209 0.000 2.388 285 N HA 0.117 4.857 4.740 0.001 0.000 0.176 285 N C 0.124 175.700 175.510 0.111 0.000 1.062 285 N CA 0.720 53.856 53.050 0.144 0.000 0.895 285 N CB 0.412 38.968 38.487 0.115 0.000 1.018 285 N HN 0.889 nan 8.380 nan 0.000 0.456 286 T N -3.411 111.212 114.554 0.114 0.000 2.906 286 T HA 0.337 4.688 4.350 0.001 0.000 0.295 286 T C 0.676 175.418 174.700 0.069 0.000 1.061 286 T CA -0.925 61.219 62.100 0.073 0.000 1.000 286 T CB 2.792 71.691 68.868 0.051 0.000 1.103 286 T HN -0.130 nan 8.240 nan 0.000 0.486 287 K N 1.245 121.652 120.400 0.010 0.000 1.977 287 K HA -0.223 4.097 4.320 0.001 0.000 0.218 287 K C 2.397 179.014 176.600 0.028 0.000 1.051 287 K CA 1.954 58.217 56.287 -0.039 0.000 0.953 287 K CB -0.319 32.048 32.500 -0.221 0.000 0.727 287 K HN 0.745 nan 8.250 nan 0.000 0.445 288 R N 0.669 121.178 120.500 0.015 0.000 2.185 288 R HA -0.209 4.132 4.340 0.001 0.000 0.247 288 R C 2.048 178.420 176.300 0.121 0.000 1.159 288 R CA 2.133 58.264 56.100 0.053 0.000 0.988 288 R CB -0.349 29.962 30.300 0.018 0.000 0.871 288 R HN 0.185 nan 8.270 nan 0.000 0.458 289 K N 0.585 121.060 120.400 0.124 0.000 2.305 289 K HA 0.032 4.353 4.320 0.001 0.000 0.199 289 K C 1.697 178.414 176.600 0.196 0.000 1.047 289 K CA 0.540 56.944 56.287 0.194 0.000 0.976 289 K CB 0.398 33.009 32.500 0.185 0.000 0.765 289 K HN 0.095 nan 8.250 nan 0.000 0.474 290 V N 1.151 121.151 119.914 0.143 0.000 2.300 290 V HA -0.184 3.937 4.120 0.001 0.000 0.241 290 V C 1.506 177.648 176.094 0.079 0.000 1.034 290 V CA 1.691 64.047 62.300 0.093 0.000 1.021 290 V CB -0.406 31.485 31.823 0.113 0.000 0.662 290 V HN 0.286 nan 8.190 nan 0.000 0.458 291 D N -0.718 119.754 120.400 0.120 0.000 2.154 291 D HA -0.272 4.369 4.640 0.001 0.000 0.190 291 D C 1.632 177.986 176.300 0.090 0.000 1.003 291 D CA 1.948 56.010 54.000 0.103 0.000 0.849 291 D CB -0.376 40.497 40.800 0.123 0.000 0.942 291 D HN 0.593 nan 8.370 nan 0.000 0.446 292 W N 1.189 122.470 121.300 -0.033 0.000 2.329 292 W HA -0.204 4.457 4.660 0.001 0.000 0.324 292 W C 2.261 178.708 176.519 -0.120 0.000 1.222 292 W CA 1.266 58.573 57.345 -0.064 0.000 1.270 292 W CB -0.932 28.497 29.460 -0.051 0.000 1.167 292 W HN 0.033 nan 8.180 nan 0.000 0.467 293 L N 0.849 121.975 121.223 -0.161 0.000 2.043 293 L HA -0.250 4.091 4.340 0.001 0.000 0.212 293 L C 2.315 178.933 176.870 -0.421 0.000 1.075 293 L CA 2.920 57.476 54.840 -0.474 0.000 0.752 293 L CB -1.437 40.420 42.059 -0.337 0.000 0.891 293 L HN 0.043 nan 8.230 nan 0.000 0.432 294 T N -0.761 113.657 114.554 -0.227 0.000 2.569 294 T HA -0.273 4.078 4.350 0.001 0.000 0.263 294 T C 1.691 176.277 174.700 -0.189 0.000 1.074 294 T CA 1.645 63.652 62.100 -0.154 0.000 1.176 294 T CB -0.351 68.474 68.868 -0.073 0.000 0.863 294 T HN 0.513 nan 8.240 nan 0.000 0.410 295 E N 0.689 120.776 120.200 -0.188 0.000 2.065 295 E HA -0.297 4.054 4.350 0.001 0.000 0.201 295 E C 2.162 178.589 176.600 -0.288 0.000 1.016 295 E CA 1.666 57.957 56.400 -0.182 0.000 0.818 295 E CB -0.105 29.514 29.700 -0.135 0.000 0.749 295 E HN 0.149 nan 8.360 nan 0.000 0.453 296 K N -0.166 119.891 120.400 -0.573 0.000 2.280 296 K HA -0.048 4.273 4.320 0.001 0.000 0.202 296 K C 1.867 178.161 176.600 -0.510 0.000 1.047 296 K CA 1.186 57.013 56.287 -0.766 0.000 0.942 296 K CB 0.002 31.543 32.500 -1.599 0.000 0.739 296 K HN 0.231 nan 8.250 nan 0.000 0.457 297 M N -1.328 118.083 119.600 -0.314 0.000 2.486 297 M HA 0.047 4.528 4.480 0.001 0.000 0.264 297 M C 1.710 178.133 176.300 0.205 0.000 1.125 297 M CA 0.721 56.019 55.300 -0.003 0.000 1.144 297 M CB 0.262 32.809 32.600 -0.088 0.000 1.353 297 M HN -0.001 nan 8.290 nan 0.000 0.466 298 R N 0.558 121.078 120.500 0.033 0.000 2.127 298 R HA -0.094 4.246 4.340 0.001 0.000 0.217 298 R C 1.763 178.068 176.300 0.008 0.000 1.074 298 R CA 1.157 57.281 56.100 0.040 0.000 0.991 298 R CB -0.012 30.287 30.300 -0.002 0.000 0.895 298 R HN 0.476 nan 8.270 nan 0.000 0.450 299 E N -0.114 120.076 120.200 -0.016 0.000 2.516 299 E HA -0.037 4.314 4.350 0.001 0.000 0.199 299 E C 0.770 177.371 176.600 0.002 0.000 1.069 299 E CA 0.829 57.218 56.400 -0.018 0.000 0.876 299 E CB 0.320 29.999 29.700 -0.034 0.000 0.843 299 E HN 0.197 nan 8.360 nan 0.000 0.530 300 A N 1.772 124.618 122.820 0.045 0.000 2.564 300 A HA 0.126 4.446 4.320 0.001 0.000 0.279 300 A C 0.152 177.503 177.584 -0.387 0.000 1.232 300 A CA -0.107 51.946 52.037 0.026 0.000 0.950 300 A CB -0.426 18.831 19.000 0.427 0.000 1.138 300 A HN 0.394 nan 8.150 nan 0.000 0.526 301 N N -0.592 117.947 118.700 -0.267 0.000 2.501 301 N HA -0.174 4.567 4.740 0.001 0.000 0.291 301 N C -1.682 173.412 175.510 -0.692 0.000 1.304 301 N CA 0.463 53.294 53.050 -0.365 0.000 0.686 301 N CB -0.595 37.681 38.487 -0.352 0.000 0.924 301 N HN 0.222 nan 8.380 nan 0.000 0.533 302 F N 0.874 120.821 119.950 -0.005 0.000 2.605 302 F HA 0.171 4.699 4.527 0.001 0.000 0.320 302 F C 0.573 176.435 175.800 0.105 0.000 1.159 302 F CA -0.638 57.386 58.000 0.041 0.000 0.999 302 F CB 1.667 40.593 39.000 -0.123 0.000 1.258 302 F HN 0.067 nan 8.300 nan 0.000 0.464 303 T N 4.419 119.179 114.554 0.345 0.000 2.840 303 T HA 0.520 4.871 4.350 0.001 0.000 0.276 303 T C -0.637 174.195 174.700 0.219 0.000 0.912 303 T CA -0.117 62.115 62.100 0.220 0.000 1.116 303 T CB -0.911 68.060 68.868 0.173 0.000 0.895 303 T HN 0.610 nan 8.240 nan 0.000 0.570 304 V N 2.131 122.142 119.914 0.162 0.000 2.962 304 V HA 0.875 4.996 4.120 0.001 0.000 0.313 304 V C -0.174 175.970 176.094 0.083 0.000 1.099 304 V CA -0.970 61.408 62.300 0.130 0.000 0.971 304 V CB 1.957 33.842 31.823 0.102 0.000 1.028 304 V HN 0.628 nan 8.190 nan 0.000 0.430 305 S N 1.197 116.939 115.700 0.070 0.000 2.648 305 S HA 0.962 5.433 4.470 0.001 0.000 0.305 305 S C -0.358 174.226 174.600 -0.027 0.000 1.094 305 S CA -0.002 58.218 58.200 0.034 0.000 0.983 305 S CB 1.671 64.915 63.200 0.074 0.000 1.101 305 S HN 1.798 nan 8.310 nan 0.000 0.514 306 S N 1.263 116.930 115.700 -0.055 0.000 2.542 306 S HA 0.745 5.215 4.470 0.001 0.000 0.276 306 S C -0.937 173.581 174.600 -0.136 0.000 1.148 306 S CA -0.996 57.154 58.200 -0.085 0.000 0.886 306 S CB 0.955 64.121 63.200 -0.057 0.000 1.109 306 S HN 0.834 nan 8.310 nan 0.000 0.458 307 M N 0.666 120.170 119.600 -0.159 0.000 2.644 307 M HA 0.900 5.381 4.480 0.001 0.000 0.273 307 M C -1.274 174.917 176.300 -0.180 0.000 1.253 307 M CA -0.751 54.392 55.300 -0.262 0.000 0.852 307 M CB 1.915 34.370 32.600 -0.242 0.000 1.708 307 M HN 1.036 nan 8.290 nan 0.000 0.471 308 H N -1.308 117.720 119.070 -0.069 0.000 2.918 308 H HA 0.666 5.223 4.556 0.001 0.000 0.303 308 H C 0.451 175.745 175.328 -0.058 0.000 1.380 308 H CA -0.600 55.419 56.048 -0.048 0.000 1.134 308 H CB 0.549 30.303 29.762 -0.012 0.000 1.842 308 H HN 0.769 nan 8.280 nan 0.000 0.533 309 G N -0.747 108.185 108.800 0.220 0.000 2.470 309 G HA2 -0.191 3.770 3.960 0.001 0.000 0.220 309 G HA3 -0.191 3.770 3.960 0.001 0.000 0.220 309 G C 0.330 175.305 174.900 0.125 0.000 1.121 309 G CA 0.894 46.060 45.100 0.111 0.000 0.766 309 G HN 0.700 nan 8.290 nan 0.000 0.553 310 D N 0.229 120.767 120.400 0.230 0.000 2.363 310 D HA 0.074 4.715 4.640 0.001 0.000 0.226 310 D C 1.321 177.708 176.300 0.145 0.000 1.020 310 D CA 0.267 54.349 54.000 0.138 0.000 0.892 310 D CB 0.180 41.021 40.800 0.069 0.000 0.900 310 D HN 0.346 nan 8.370 nan 0.000 0.531 311 M N 1.356 121.033 119.600 0.128 0.000 2.227 311 M HA 0.244 4.724 4.480 0.001 0.000 0.316 311 M C -2.140 174.156 176.300 -0.007 0.000 1.144 311 M CA -1.479 53.831 55.300 0.016 0.000 1.121 311 M CB 0.612 33.157 32.600 -0.093 0.000 1.440 311 M HN -0.286 nan 8.290 nan 0.000 0.473 312 P HA 0.103 nan 4.420 nan 0.000 0.286 312 P C -0.440 176.842 177.300 -0.031 0.000 1.269 312 P CA -0.150 62.939 63.100 -0.018 0.000 0.787 312 P CB 1.303 32.995 31.700 -0.012 0.000 0.920 313 Q N 3.431 123.216 119.800 -0.025 0.000 2.268 313 Q HA -0.248 4.093 4.340 0.001 0.000 0.213 313 Q C 1.920 177.903 176.000 -0.027 0.000 0.995 313 Q CA 2.109 57.895 55.803 -0.029 0.000 0.901 313 Q CB -0.361 28.368 28.738 -0.015 0.000 0.921 313 Q HN 0.510 nan 8.270 nan 0.000 0.421 314 K N -0.369 120.020 120.400 -0.019 0.000 2.021 314 K HA -0.147 4.174 4.320 0.001 0.000 0.205 314 K C 2.022 178.609 176.600 -0.021 0.000 1.047 314 K CA 1.274 57.553 56.287 -0.014 0.000 0.943 314 K CB -0.218 32.278 32.500 -0.007 0.000 0.725 314 K HN 0.362 nan 8.250 nan 0.000 0.439 315 E N 0.542 120.725 120.200 -0.028 0.000 2.160 315 E HA -0.215 4.136 4.350 0.001 0.000 0.195 315 E C 1.772 178.340 176.600 -0.053 0.000 0.991 315 E CA 0.723 57.101 56.400 -0.036 0.000 0.810 315 E CB 0.164 29.838 29.700 -0.044 0.000 0.742 315 E HN 0.175 nan 8.360 nan 0.000 0.466 316 R N 1.043 121.502 120.500 -0.068 0.000 2.205 316 R HA -0.231 4.110 4.340 0.001 0.000 0.221 316 R C 2.401 178.660 176.300 -0.069 0.000 1.101 316 R CA 2.143 58.184 56.100 -0.100 0.000 0.869 316 R CB -1.383 28.848 30.300 -0.114 0.000 0.815 316 R HN 0.542 nan 8.270 nan 0.000 0.434 317 E N 0.658 120.832 120.200 -0.043 0.000 2.333 317 E HA -0.157 4.194 4.350 0.001 0.000 0.200 317 E C 1.783 178.389 176.600 0.011 0.000 1.010 317 E CA 1.475 57.872 56.400 -0.004 0.000 0.841 317 E CB -0.218 29.487 29.700 0.009 0.000 0.757 317 E HN 0.186 nan 8.360 nan 0.000 0.508 318 S N 0.129 115.827 115.700 -0.003 0.000 2.428 318 S HA -0.052 4.419 4.470 0.001 0.000 0.230 318 S C 1.847 176.456 174.600 0.014 0.000 1.014 318 S CA 0.670 58.874 58.200 0.006 0.000 0.957 318 S CB -0.056 63.142 63.200 -0.004 0.000 0.784 318 S HN 0.296 nan 8.310 nan 0.000 0.499 319 I N 1.413 121.984 120.570 0.002 0.000 2.406 319 I HA -0.034 4.137 4.170 0.001 0.000 0.249 319 I C 2.371 178.530 176.117 0.071 0.000 1.122 319 I CA 0.800 62.110 61.300 0.016 0.000 1.431 319 I CB -1.392 36.590 38.000 -0.030 0.000 1.087 319 I HN 0.348 nan 8.210 nan 0.000 0.424 320 M N 1.360 121.001 119.600 0.069 0.000 2.180 320 M HA -0.240 4.241 4.480 0.001 0.000 0.260 320 M C 2.256 178.648 176.300 0.154 0.000 1.071 320 M CA 1.808 57.193 55.300 0.142 0.000 1.096 320 M CB -1.292 31.383 32.600 0.124 0.000 1.276 320 M HN 0.181 nan 8.290 nan 0.000 0.426 321 K N 0.003 120.460 120.400 0.096 0.000 2.090 321 K HA -0.268 4.053 4.320 0.001 0.000 0.218 321 K C 1.858 178.503 176.600 0.074 0.000 1.055 321 K CA 2.260 58.590 56.287 0.072 0.000 0.941 321 K CB -0.408 32.119 32.500 0.045 0.000 0.722 321 K HN 0.465 nan 8.250 nan 0.000 0.458 322 E N -0.071 120.178 120.200 0.082 0.000 2.007 322 E HA -0.238 4.113 4.350 0.001 0.000 0.203 322 E C 1.913 178.577 176.600 0.106 0.000 1.020 322 E CA 1.751 58.200 56.400 0.082 0.000 0.845 322 E CB -0.345 29.407 29.700 0.088 0.000 0.779 322 E HN 0.249 nan 8.360 nan 0.000 0.466 323 F N 1.735 121.697 119.950 0.020 0.000 2.065 323 F HA -0.261 4.267 4.527 0.001 0.000 0.298 323 F C 2.559 178.374 175.800 0.024 0.000 1.112 323 F CA 1.901 59.915 58.000 0.023 0.000 1.212 323 F CB -0.146 38.873 39.000 0.032 0.000 0.975 323 F HN -0.138 nan 8.300 nan 0.000 0.476 324 R N -0.166 120.426 120.500 0.154 0.000 2.133 324 R HA -0.224 4.117 4.340 0.001 0.000 0.247 324 R C 2.580 178.831 176.300 -0.081 0.000 1.151 324 R CA 1.590 57.718 56.100 0.048 0.000 0.971 324 R CB -0.669 29.701 30.300 0.117 0.000 0.866 324 R HN 0.464 nan 8.270 nan 0.000 0.447 325 S N -2.039 113.625 115.700 -0.059 0.000 2.355 325 S HA -0.043 4.428 4.470 0.001 0.000 0.210 325 S C 1.381 175.904 174.600 -0.127 0.000 1.035 325 S CA 1.809 59.970 58.200 -0.064 0.000 1.011 325 S CB 0.019 63.201 63.200 -0.029 0.000 1.000 325 S HN 0.598 nan 8.310 nan 0.000 0.423 326 G N -1.101 107.608 108.800 -0.151 0.000 4.226 326 G HA2 0.259 4.220 3.960 0.001 0.000 0.220 326 G HA3 0.259 4.220 3.960 0.001 0.000 0.220 326 G C 1.091 175.924 174.900 -0.112 0.000 0.817 326 G CA 0.407 45.400 45.100 -0.179 0.000 0.879 326 G HN 0.829 nan 8.290 nan 0.000 0.669 327 A N 0.655 123.438 122.820 -0.060 0.000 1.929 327 A HA 0.121 4.442 4.320 0.001 0.000 0.221 327 A C 1.747 179.338 177.584 0.012 0.000 1.211 327 A CA 2.538 54.569 52.037 -0.010 0.000 0.657 327 A CB -0.637 18.372 19.000 0.016 0.000 0.827 327 A HN 1.773 nan 8.150 nan 0.000 0.462 328 S N -2.097 113.621 115.700 0.029 0.000 2.552 328 S HA 0.604 5.075 4.470 0.001 0.000 0.314 328 S C 0.337 174.986 174.600 0.082 0.000 1.099 328 S CA -0.874 57.386 58.200 0.100 0.000 1.070 328 S CB 1.692 65.007 63.200 0.192 0.000 0.998 328 S HN 0.314 nan 8.310 nan 0.000 0.474 329 R N 1.396 121.934 120.500 0.063 0.000 2.328 329 R HA 0.150 4.491 4.340 0.001 0.000 0.207 329 R C -0.167 176.235 176.300 0.169 0.000 1.056 329 R CA 0.381 56.500 56.100 0.032 0.000 1.016 329 R CB -0.425 29.875 30.300 -0.000 0.000 0.872 329 R HN 0.572 nan 8.270 nan 0.000 0.471 330 V N 1.236 121.323 119.914 0.289 0.000 2.851 330 V HA 0.287 4.408 4.120 0.001 0.000 0.307 330 V C -1.319 174.896 176.094 0.202 0.000 1.129 330 V CA -1.103 61.367 62.300 0.284 0.000 0.932 330 V CB 2.498 34.435 31.823 0.190 0.000 1.024 330 V HN -0.076 nan 8.190 nan 0.000 0.426 331 L N 6.038 127.233 121.223 -0.047 0.000 2.410 331 L HA 0.732 5.073 4.340 0.001 0.000 0.270 331 L C -1.044 175.673 176.870 -0.255 0.000 0.983 331 L CA -0.087 54.578 54.840 -0.292 0.000 0.822 331 L CB 1.672 43.190 42.059 -0.903 0.000 1.285 331 L HN 0.578 nan 8.230 nan 0.000 0.409 332 I N 4.044 124.511 120.570 -0.171 0.000 2.378 332 I HA 0.663 4.833 4.170 0.001 0.000 0.291 332 I C -0.104 175.942 176.117 -0.118 0.000 0.992 332 I CA -0.263 60.953 61.300 -0.139 0.000 1.154 332 I CB 1.748 39.695 38.000 -0.088 0.000 1.315 332 I HN 0.724 nan 8.210 nan 0.000 0.448 333 S N 3.740 119.379 115.700 -0.103 0.000 2.596 333 S HA 0.606 5.077 4.470 0.001 0.000 0.270 333 S C -0.517 174.206 174.600 0.205 0.000 1.155 333 S CA -0.580 57.625 58.200 0.009 0.000 0.827 333 S CB 1.868 65.061 63.200 -0.012 0.000 1.130 333 S HN 0.694 nan 8.310 nan 0.000 0.467 334 T N 0.348 115.036 114.554 0.223 0.000 2.922 334 T HA 0.406 4.756 4.350 0.001 0.000 0.285 334 T C -0.219 174.710 174.700 0.382 0.000 1.005 334 T CA -0.606 61.661 62.100 0.280 0.000 1.061 334 T CB 0.815 69.791 68.868 0.180 0.000 1.007 334 T HN 0.558 nan 8.240 nan 0.000 0.502 335 D N 1.619 122.229 120.400 0.350 0.000 2.359 335 D HA 0.001 4.641 4.640 0.001 0.000 0.273 335 D C 0.656 177.128 176.300 0.286 0.000 1.362 335 D CA 0.125 54.335 54.000 0.349 0.000 1.010 335 D CB 0.710 41.565 40.800 0.092 0.000 1.090 335 D HN 0.461 nan 8.370 nan 0.000 0.521 336 V N 5.900 126.014 119.914 0.333 0.000 2.743 336 V HA 0.105 4.226 4.120 0.001 0.000 0.237 336 V C 0.567 176.747 176.094 0.144 0.000 1.113 336 V CA -0.227 62.126 62.300 0.089 0.000 1.141 336 V CB -0.113 31.590 31.823 -0.201 0.000 0.873 336 V HN 0.522 nan 8.190 nan 0.000 0.486 337 W N 0.655 122.049 121.300 0.157 0.000 2.560 337 W HA 0.014 4.674 4.660 0.001 0.000 0.335 337 W C 1.390 178.001 176.519 0.153 0.000 1.147 337 W CA 0.744 58.163 57.345 0.123 0.000 1.277 337 W CB -0.212 29.300 29.460 0.086 0.000 1.152 337 W HN 0.470 nan 8.180 nan 0.000 0.561 338 A N 5.477 128.468 122.820 0.286 0.000 1.823 338 A HA -0.061 4.260 4.320 0.001 0.000 0.214 338 A C 1.325 179.043 177.584 0.223 0.000 1.225 338 A CA 0.753 52.921 52.037 0.218 0.000 0.604 338 A CB -0.437 18.643 19.000 0.134 0.000 0.878 338 A HN 0.604 nan 8.150 nan 0.000 0.450 339 R N -1.250 119.344 120.500 0.157 0.000 2.863 339 R HA 0.223 4.564 4.340 0.001 0.000 0.273 339 R C 1.506 177.792 176.300 -0.023 0.000 1.057 339 R CA 0.255 56.406 56.100 0.085 0.000 1.191 339 R CB 0.008 30.346 30.300 0.064 0.000 1.104 339 R HN 0.452 nan 8.270 nan 0.000 0.519 340 G N 0.754 109.475 108.800 -0.131 0.000 2.439 340 G HA2 -0.130 3.831 3.960 0.001 0.000 0.212 340 G HA3 -0.130 3.831 3.960 0.001 0.000 0.212 340 G C 1.184 175.887 174.900 -0.328 0.000 1.199 340 G CA 0.111 44.955 45.100 -0.426 0.000 0.807 340 G HN 0.311 nan 8.290 nan 0.000 0.537 341 L N 1.372 122.491 121.223 -0.172 0.000 2.187 341 L HA 0.023 4.364 4.340 0.001 0.000 0.213 341 L C 0.498 177.280 176.870 -0.148 0.000 1.100 341 L CA 0.717 55.474 54.840 -0.137 0.000 0.765 341 L CB -0.489 41.535 42.059 -0.058 0.000 0.904 341 L HN 0.072 nan 8.230 nan 0.000 0.437 342 D N 1.247 121.584 120.400 -0.105 0.000 2.348 342 D HA 0.335 4.976 4.640 0.001 0.000 0.259 342 D C -0.189 175.881 176.300 -0.383 0.000 1.296 342 D CA 0.463 54.437 54.000 -0.043 0.000 0.931 342 D CB 0.606 41.509 40.800 0.171 0.000 1.067 342 D HN 0.000 nan 8.370 nan 0.000 0.503 343 V N 0.776 120.399 119.914 -0.485 0.000 3.282 343 V HA 0.238 4.359 4.120 0.001 0.000 0.295 343 V C -2.424 173.429 176.094 -0.401 0.000 1.451 343 V CA -1.636 60.078 62.300 -0.977 0.000 1.062 343 V CB 1.571 32.902 31.823 -0.821 0.000 1.128 343 V HN 0.008 nan 8.190 nan 0.000 0.456 344 P HA -0.072 nan 4.420 nan 0.000 0.229 344 P C 0.789 178.097 177.300 0.013 0.000 1.150 344 P CA 1.176 64.276 63.100 0.000 0.000 0.765 344 P CB -0.134 31.614 31.700 0.079 0.000 0.783 345 Q N -0.733 119.017 119.800 -0.083 0.000 2.406 345 Q HA -0.219 4.122 4.340 0.001 0.000 0.339 345 Q C -0.608 175.390 176.000 -0.002 0.000 1.337 345 Q CA -0.108 55.665 55.803 -0.050 0.000 0.985 345 Q CB -1.125 27.589 28.738 -0.039 0.000 1.216 345 Q HN 0.133 nan 8.270 nan 0.000 0.415 346 V N 0.687 120.615 119.914 0.022 0.000 2.966 346 V HA 0.347 4.467 4.120 0.001 0.000 0.317 346 V C 1.178 177.279 176.094 0.011 0.000 1.070 346 V CA 0.539 62.864 62.300 0.043 0.000 1.008 346 V CB 1.924 33.826 31.823 0.132 0.000 1.070 346 V HN 0.541 nan 8.190 nan 0.000 0.457 347 S N 3.561 119.265 115.700 0.006 0.000 2.660 347 S HA 0.153 4.624 4.470 0.001 0.000 0.228 347 S C -0.133 174.466 174.600 -0.002 0.000 0.966 347 S CA 0.254 58.451 58.200 -0.005 0.000 0.940 347 S CB -0.454 62.742 63.200 -0.007 0.000 0.773 347 S HN 0.705 nan 8.310 nan 0.000 0.535 348 L N 1.278 122.506 121.223 0.009 0.000 2.676 348 L HA 0.517 4.858 4.340 0.001 0.000 0.262 348 L C -1.650 175.225 176.870 0.008 0.000 0.965 348 L CA -0.481 54.365 54.840 0.010 0.000 0.920 348 L CB 1.387 43.457 42.059 0.019 0.000 1.260 348 L HN 0.028 nan 8.230 nan 0.000 0.422 349 I N 5.106 125.674 120.570 -0.004 0.000 2.525 349 I HA 0.512 4.682 4.170 0.001 0.000 0.301 349 I C -0.240 175.883 176.117 0.010 0.000 0.992 349 I CA -0.577 60.729 61.300 0.011 0.000 1.162 349 I CB 1.941 39.969 38.000 0.048 0.000 1.332 349 I HN 0.531 nan 8.210 nan 0.000 0.458 350 I N 4.651 125.235 120.570 0.024 0.000 2.500 350 I HA 0.227 4.398 4.170 0.001 0.000 0.286 350 I C -0.279 175.868 176.117 0.049 0.000 1.063 350 I CA -0.498 60.773 61.300 -0.047 0.000 1.062 350 I CB 1.741 39.660 38.000 -0.135 0.000 1.223 350 I HN 0.382 nan 8.210 nan 0.000 0.435 351 N N 5.763 124.485 118.700 0.036 0.000 2.663 351 N HA 0.028 4.769 4.740 0.001 0.000 0.250 351 N C 0.698 176.285 175.510 0.129 0.000 1.129 351 N CA 0.020 53.167 53.050 0.161 0.000 0.995 351 N CB 0.444 39.036 38.487 0.175 0.000 1.324 351 N HN 0.568 nan 8.380 nan 0.000 0.512 352 Y N 1.470 121.835 120.300 0.109 0.000 2.256 352 Y HA -0.194 4.357 4.550 0.001 0.000 0.288 352 Y C -0.204 175.940 175.900 0.406 0.000 1.155 352 Y CA 1.356 59.656 58.100 0.334 0.000 1.203 352 Y CB 0.406 39.083 38.460 0.362 0.000 0.980 352 Y HN 0.333 nan 8.280 nan 0.000 0.530 353 D N -0.755 119.869 120.400 0.372 0.000 2.671 353 D HA 0.342 4.982 4.640 0.001 0.000 0.232 353 D C -1.030 175.394 176.300 0.206 0.000 1.114 353 D CA -0.459 53.694 54.000 0.255 0.000 0.858 353 D CB 1.773 42.728 40.800 0.258 0.000 1.544 353 D HN -0.049 nan 8.370 nan 0.000 0.471 354 L N 2.289 123.605 121.223 0.155 0.000 2.375 354 L HA 0.385 4.726 4.340 0.001 0.000 0.271 354 L C -1.686 175.241 176.870 0.095 0.000 1.107 354 L CA -1.449 53.471 54.840 0.133 0.000 0.806 354 L CB 1.034 43.145 42.059 0.086 0.000 1.146 354 L HN 0.159 nan 8.230 nan 0.000 0.447 355 P HA 0.018 nan 4.420 nan 0.000 0.288 355 P C -0.819 176.487 177.300 0.010 0.000 1.291 355 P CA -0.323 62.801 63.100 0.040 0.000 0.766 355 P CB 0.744 32.457 31.700 0.022 0.000 1.242 356 N N 0.320 119.011 118.700 -0.015 0.000 2.672 356 N HA 0.164 4.905 4.740 0.001 0.000 0.295 356 N C -0.970 174.502 175.510 -0.062 0.000 1.924 356 N CA 0.064 53.092 53.050 -0.036 0.000 0.851 356 N CB -0.597 37.875 38.487 -0.024 0.000 1.281 356 N HN 0.352 nan 8.380 nan 0.000 0.494 357 N N 0.488 119.136 118.700 -0.087 0.000 3.507 357 N HA 0.050 4.791 4.740 0.001 0.000 0.212 357 N C 0.139 175.540 175.510 -0.182 0.000 1.340 357 N CA -0.227 52.744 53.050 -0.133 0.000 0.844 357 N CB 0.608 39.033 38.487 -0.102 0.000 1.647 357 N HN 0.023 nan 8.380 nan 0.000 0.694 358 R N 0.387 120.688 120.500 -0.332 0.000 2.397 358 R HA -0.048 4.293 4.340 0.001 0.000 0.213 358 R C 1.033 176.967 176.300 -0.610 0.000 1.102 358 R CA 0.634 56.438 56.100 -0.493 0.000 1.040 358 R CB 0.102 29.884 30.300 -0.863 0.000 0.844 358 R HN 0.343 nan 8.270 nan 0.000 0.478 359 E N 0.554 120.536 120.200 -0.362 0.000 2.479 359 E HA 0.015 4.365 4.350 0.001 0.000 0.193 359 E C 0.910 177.577 176.600 0.112 0.000 1.049 359 E CA 0.207 56.541 56.400 -0.110 0.000 0.870 359 E CB 0.277 29.940 29.700 -0.062 0.000 0.944 359 E HN 0.441 nan 8.360 nan 0.000 0.492 360 L N -2.604 118.673 121.223 0.090 0.000 2.685 360 L HA 0.328 4.669 4.340 0.001 0.000 0.235 360 L C 1.961 178.908 176.870 0.129 0.000 1.070 360 L CA 0.209 55.077 54.840 0.047 0.000 0.888 360 L CB -1.076 40.883 42.059 -0.165 0.000 1.203 360 L HN -0.075 nan 8.230 nan 0.000 0.499 361 Y N 0.873 121.201 120.300 0.046 0.000 2.172 361 Y HA -0.316 4.235 4.550 0.001 0.000 0.280 361 Y C 2.399 178.233 175.900 -0.110 0.000 1.209 361 Y CA 2.439 60.532 58.100 -0.012 0.000 1.171 361 Y CB -0.073 38.436 38.460 0.082 0.000 0.965 361 Y HN 0.345 nan 8.280 nan 0.000 0.520 362 I N -0.322 120.212 120.570 -0.061 0.000 2.339 362 I HA -0.243 3.928 4.170 0.001 0.000 0.245 362 I C 2.462 178.516 176.117 -0.104 0.000 1.096 362 I CA 1.859 62.983 61.300 -0.292 0.000 1.408 362 I CB -1.001 36.852 38.000 -0.244 0.000 1.092 362 I HN 0.442 nan 8.210 nan 0.000 0.423 363 H N 1.665 120.694 119.070 -0.068 0.000 2.489 363 H HA -0.214 4.343 4.556 0.001 0.000 0.295 363 H C 2.017 177.239 175.328 -0.176 0.000 1.082 363 H CA 1.764 57.770 56.048 -0.072 0.000 1.295 363 H CB -0.160 29.599 29.762 -0.005 0.000 1.380 363 H HN 0.298 nan 8.280 nan 0.000 0.548 364 R N 0.321 120.806 120.500 -0.025 0.000 2.189 364 R HA 0.129 4.470 4.340 0.001 0.000 0.203 364 R C 2.041 178.154 176.300 -0.311 0.000 1.012 364 R CA 1.074 57.007 56.100 -0.278 0.000 1.015 364 R CB 0.254 30.267 30.300 -0.478 0.000 0.938 364 R HN 0.538 nan 8.270 nan 0.000 0.472 365 I N -4.398 115.964 120.570 -0.347 0.000 4.541 365 I HA 0.492 4.662 4.170 0.001 0.000 0.337 365 I C 0.616 176.574 176.117 -0.265 0.000 1.338 365 I CA -0.617 60.502 61.300 -0.302 0.000 1.244 365 I CB 0.591 38.345 38.000 -0.410 0.000 1.417 365 I HN -0.051 nan 8.210 nan 0.000 0.501 366 G N 2.813 111.459 108.800 -0.257 0.000 2.636 366 G HA2 0.438 4.399 3.960 0.001 0.000 0.246 366 G HA3 0.438 4.399 3.960 0.001 0.000 0.246 366 G C -0.112 174.698 174.900 -0.149 0.000 1.216 366 G CA -0.406 44.577 45.100 -0.196 0.000 0.854 366 G HN 0.604 nan 8.290 nan 0.000 0.572 367 R N -1.190 119.242 120.500 -0.114 0.000 2.912 367 R HA 0.623 4.964 4.340 0.001 0.000 0.262 367 R C 1.013 177.274 176.300 -0.064 0.000 1.057 367 R CA -0.267 55.782 56.100 -0.086 0.000 0.981 367 R CB 1.052 31.307 30.300 -0.075 0.000 1.201 367 R HN 0.405 nan 8.270 nan 0.000 0.484 368 S N -0.546 115.129 115.700 -0.041 0.000 2.442 368 S HA -0.041 4.430 4.470 0.001 0.000 0.236 368 S C 1.543 176.099 174.600 -0.073 0.000 1.007 368 S CA 1.737 59.922 58.200 -0.025 0.000 0.965 368 S CB -0.864 62.364 63.200 0.047 0.000 0.773 368 S HN 0.989 nan 8.310 nan 0.000 0.504 369 G N 1.013 109.768 108.800 -0.074 0.000 2.855 369 G HA2 -0.444 3.517 3.960 0.001 0.000 0.231 369 G HA3 -0.444 3.517 3.960 0.001 0.000 0.231 369 G C 1.201 176.015 174.900 -0.143 0.000 1.242 369 G CA 0.874 45.918 45.100 -0.094 0.000 0.789 369 G HN 0.578 nan 8.290 nan 0.000 0.517 370 R N -0.995 119.352 120.500 -0.254 0.000 2.146 370 R HA 0.314 4.655 4.340 0.001 0.000 0.206 370 R C 1.686 177.752 176.300 -0.391 0.000 1.049 370 R CA 1.113 56.952 56.100 -0.435 0.000 1.029 370 R CB 0.109 29.953 30.300 -0.759 0.000 0.949 370 R HN 0.510 nan 8.270 nan 0.000 0.471 371 Y N -1.114 119.159 120.300 -0.046 0.000 2.557 371 Y HA 0.446 4.996 4.550 0.001 0.000 0.247 371 Y C 0.570 176.448 175.900 -0.037 0.000 1.164 371 Y CA -0.430 57.645 58.100 -0.042 0.000 1.218 371 Y CB 0.952 39.389 38.460 -0.040 0.000 1.210 371 Y HN 0.007 nan 8.280 nan 0.000 0.529 372 G N 0.811 109.653 108.800 0.070 0.000 2.389 372 G HA2 0.511 4.472 3.960 0.001 0.000 0.328 372 G HA3 0.511 4.472 3.960 0.001 0.000 0.328 372 G C -0.290 174.614 174.900 0.006 0.000 1.133 372 G CA -0.867 44.250 45.100 0.029 0.000 0.891 372 G HN 0.057 nan 8.290 nan 0.000 0.485 373 R N 0.672 121.171 120.500 -0.001 0.000 2.594 373 R HA 0.177 4.518 4.340 0.001 0.000 0.272 373 R C 0.108 176.395 176.300 -0.022 0.000 1.074 373 R CA -0.139 55.956 56.100 -0.009 0.000 1.105 373 R CB 0.946 31.241 30.300 -0.009 0.000 1.008 373 R HN 0.434 nan 8.270 nan 0.000 0.472 374 K N 0.356 120.742 120.400 -0.023 0.000 2.202 374 K HA 0.314 4.635 4.320 0.001 0.000 0.264 374 K C 0.359 176.938 176.600 -0.036 0.000 1.010 374 K CA -0.123 56.144 56.287 -0.032 0.000 0.940 374 K CB 1.214 33.698 32.500 -0.026 0.000 0.983 374 K HN 0.752 nan 8.250 nan 0.000 0.475 375 G N 0.005 108.775 108.800 -0.051 0.000 2.815 375 G HA2 0.595 4.555 3.960 0.001 0.000 0.305 375 G HA3 0.595 4.555 3.960 0.001 0.000 0.305 375 G C -1.590 173.268 174.900 -0.071 0.000 1.277 375 G CA -0.531 44.539 45.100 -0.051 0.000 0.795 375 G HN 0.379 nan 8.290 nan 0.000 0.528 376 V N -0.369 119.505 119.914 -0.067 0.000 2.888 376 V HA 0.816 4.937 4.120 0.001 0.000 0.309 376 V C -0.263 175.785 176.094 -0.077 0.000 1.114 376 V CA -0.332 61.912 62.300 -0.093 0.000 0.940 376 V CB 1.535 33.343 31.823 -0.026 0.000 1.021 376 V HN 1.532 nan 8.190 nan 0.000 0.426 377 A N 4.503 127.255 122.820 -0.113 0.000 2.435 377 A HA 0.969 5.290 4.320 0.001 0.000 0.304 377 A C -1.284 176.301 177.584 0.001 0.000 1.064 377 A CA -0.526 51.475 52.037 -0.060 0.000 0.727 377 A CB 1.462 20.400 19.000 -0.103 0.000 1.284 377 A HN 0.737 nan 8.150 nan 0.000 0.415 378 I N 2.130 122.720 120.570 0.032 0.000 2.466 378 I HA 0.285 4.456 4.170 0.001 0.000 0.289 378 I C -0.790 175.342 176.117 0.025 0.000 1.026 378 I CA -0.662 60.689 61.300 0.084 0.000 1.078 378 I CB 2.142 40.181 38.000 0.065 0.000 1.249 378 I HN 0.582 nan 8.210 nan 0.000 0.429 379 N N 6.216 125.025 118.700 0.182 0.000 2.437 379 N HA 0.296 5.037 4.740 0.001 0.000 0.259 379 N C -0.983 174.735 175.510 0.347 0.000 0.983 379 N CA -0.467 52.720 53.050 0.229 0.000 0.937 379 N CB 1.409 40.087 38.487 0.318 0.000 1.122 379 N HN 0.324 nan 8.380 nan 0.000 0.499 380 F N 2.300 122.351 119.950 0.168 0.000 2.619 380 F HA 0.088 4.616 4.527 0.001 0.000 0.350 380 F C 0.748 176.598 175.800 0.083 0.000 1.259 380 F CA -1.183 56.873 58.000 0.094 0.000 1.204 380 F CB -0.495 38.476 39.000 -0.048 0.000 1.556 380 F HN 0.097 nan 8.300 nan 0.000 0.650 381 V N 1.622 121.728 119.914 0.320 0.000 2.407 381 V HA 0.546 4.667 4.120 0.001 0.000 0.278 381 V C -0.118 176.057 176.094 0.135 0.000 1.037 381 V CA -1.019 61.388 62.300 0.178 0.000 0.900 381 V CB 1.011 32.895 31.823 0.103 0.000 0.983 381 V HN 0.559 nan 8.190 nan 0.000 0.459 382 K N 3.042 123.486 120.400 0.074 0.000 2.168 382 K HA 0.550 4.871 4.320 0.001 0.000 0.239 382 K C 0.455 177.072 176.600 0.028 0.000 0.999 382 K CA -0.870 55.445 56.287 0.048 0.000 0.900 382 K CB 0.783 33.291 32.500 0.013 0.000 1.111 382 K HN 0.419 nan 8.250 nan 0.000 0.452 383 N N 1.324 120.036 118.700 0.020 0.000 2.091 383 N HA -0.208 4.533 4.740 0.001 0.000 0.193 383 N C 0.857 176.361 175.510 -0.011 0.000 1.021 383 N CA 1.697 54.751 53.050 0.005 0.000 0.862 383 N CB -0.453 38.035 38.487 0.001 0.000 1.018 383 N HN 0.583 nan 8.380 nan 0.000 0.429 384 D N 1.028 121.418 120.400 -0.016 0.000 2.178 384 D HA -0.097 4.544 4.640 0.001 0.000 0.201 384 D C 0.618 176.906 176.300 -0.019 0.000 0.980 384 D CA 1.002 54.989 54.000 -0.020 0.000 0.842 384 D CB -0.193 40.594 40.800 -0.023 0.000 0.948 384 D HN 0.287 nan 8.370 nan 0.000 0.472 385 D N -0.092 120.302 120.400 -0.011 0.000 2.340 385 D HA 0.015 4.655 4.640 0.001 0.000 0.217 385 D C 1.758 178.035 176.300 -0.038 0.000 1.081 385 D CA -0.195 53.796 54.000 -0.015 0.000 0.842 385 D CB 0.334 41.141 40.800 0.011 0.000 0.934 385 D HN 0.173 nan 8.370 nan 0.000 0.511 386 I N 0.660 121.204 120.570 -0.044 0.000 2.830 386 I HA -0.076 4.094 4.170 0.001 0.000 0.263 386 I C 2.010 178.066 176.117 -0.100 0.000 1.230 386 I CA 0.923 62.171 61.300 -0.087 0.000 1.480 386 I CB -0.004 37.958 38.000 -0.063 0.000 1.095 386 I HN -0.192 nan 8.210 nan 0.000 0.455 387 R N 0.556 121.014 120.500 -0.070 0.000 2.062 387 R HA -0.010 4.330 4.340 0.001 0.000 0.226 387 R C 2.235 178.488 176.300 -0.078 0.000 1.125 387 R CA 1.510 57.570 56.100 -0.067 0.000 0.966 387 R CB -0.267 30.003 30.300 -0.049 0.000 0.861 387 R HN 0.393 nan 8.270 nan 0.000 0.433 388 I N 1.324 121.849 120.570 -0.076 0.000 2.194 388 I HA -0.312 3.859 4.170 0.001 0.000 0.246 388 I C 2.355 178.401 176.117 -0.118 0.000 1.093 388 I CA 0.849 62.096 61.300 -0.087 0.000 1.355 388 I CB -0.477 37.478 38.000 -0.075 0.000 1.046 388 I HN 0.230 nan 8.210 nan 0.000 0.413 389 L N 0.939 122.080 121.223 -0.137 0.000 2.064 389 L HA -0.273 4.068 4.340 0.001 0.000 0.216 389 L C 2.693 179.469 176.870 -0.158 0.000 1.077 389 L CA 1.907 56.637 54.840 -0.184 0.000 0.766 389 L CB -0.563 41.345 42.059 -0.251 0.000 0.890 389 L HN 0.124 nan 8.230 nan 0.000 0.435 390 R N 0.305 120.730 120.500 -0.124 0.000 2.096 390 R HA -0.164 4.177 4.340 0.001 0.000 0.229 390 R C 2.043 178.307 176.300 -0.060 0.000 1.134 390 R CA 1.863 57.913 56.100 -0.083 0.000 0.917 390 R CB -1.596 28.666 30.300 -0.064 0.000 0.832 390 R HN 0.507 nan 8.270 nan 0.000 0.430 391 D N 0.474 120.838 120.400 -0.061 0.000 2.191 391 D HA -0.211 4.430 4.640 0.001 0.000 0.195 391 D C 2.023 178.304 176.300 -0.031 0.000 1.003 391 D CA 1.261 55.234 54.000 -0.045 0.000 0.867 391 D CB -0.196 40.561 40.800 -0.072 0.000 0.926 391 D HN 0.296 nan 8.370 nan 0.000 0.450 392 I N 0.649 121.170 120.570 -0.082 0.000 2.233 392 I HA -0.200 3.971 4.170 0.001 0.000 0.243 392 I C 2.582 178.745 176.117 0.077 0.000 1.093 392 I CA 0.850 62.112 61.300 -0.063 0.000 1.380 392 I CB -0.169 37.632 38.000 -0.332 0.000 1.067 392 I HN -0.059 nan 8.210 nan 0.000 0.413 393 E N 0.527 120.727 120.200 -0.001 0.000 2.012 393 E HA -0.266 4.085 4.350 0.001 0.000 0.197 393 E C 2.277 178.926 176.600 0.082 0.000 1.007 393 E CA 1.378 57.809 56.400 0.051 0.000 0.816 393 E CB 0.071 29.776 29.700 0.007 0.000 0.762 393 E HN 0.328 nan 8.360 nan 0.000 0.451 394 Q N -0.335 119.490 119.800 0.042 0.000 2.118 394 Q HA -0.262 4.079 4.340 0.001 0.000 0.211 394 Q C 2.056 178.078 176.000 0.036 0.000 0.998 394 Q CA 1.717 57.539 55.803 0.031 0.000 0.872 394 Q CB -0.833 27.915 28.738 0.017 0.000 0.925 394 Q HN 0.440 nan 8.270 nan 0.000 0.414 395 Y N 0.484 120.720 120.300 -0.106 0.000 2.014 395 Y HA -0.300 4.251 4.550 0.001 0.000 0.270 395 Y C 1.987 177.750 175.900 -0.227 0.000 1.145 395 Y CA 1.980 59.935 58.100 -0.241 0.000 1.106 395 Y CB -0.778 37.413 38.460 -0.448 0.000 0.968 395 Y HN 0.123 nan 8.280 nan 0.000 0.484 396 Y N -0.120 120.247 120.300 0.112 0.000 2.578 396 Y HA 0.128 4.679 4.550 0.001 0.000 0.297 396 Y C 1.427 177.322 175.900 -0.007 0.000 1.176 396 Y CA 0.679 58.793 58.100 0.023 0.000 1.315 396 Y CB -0.371 38.182 38.460 0.156 0.000 1.031 396 Y HN 0.009 nan 8.280 nan 0.000 0.524 397 S N 0.383 116.147 115.700 0.105 0.000 3.706 397 S HA -0.196 4.275 4.470 0.001 0.000 0.363 397 S C 0.224 174.873 174.600 0.082 0.000 0.999 397 S CA 1.077 59.313 58.200 0.061 0.000 1.143 397 S CB -1.198 62.010 63.200 0.013 0.000 0.902 397 S HN 0.621 nan 8.310 nan 0.000 0.476 398 T N -0.196 114.425 114.554 0.112 0.000 2.831 398 T HA 0.666 5.016 4.350 0.001 0.000 0.287 398 T C -0.988 173.764 174.700 0.087 0.000 1.070 398 T CA -0.479 61.677 62.100 0.093 0.000 1.010 398 T CB 1.849 70.780 68.868 0.105 0.000 1.264 398 T HN 0.410 nan 8.240 nan 0.000 0.532 399 Q N 1.009 120.856 119.800 0.079 0.000 2.301 399 Q HA 0.750 5.091 4.340 0.001 0.000 0.267 399 Q C -1.431 174.640 176.000 0.119 0.000 1.035 399 Q CA -0.774 55.084 55.803 0.093 0.000 0.856 399 Q CB 1.309 30.101 28.738 0.090 0.000 1.337 399 Q HN 0.658 nan 8.270 nan 0.000 0.450 400 I N 2.628 123.300 120.570 0.170 0.000 2.569 400 I HA 0.384 4.555 4.170 0.001 0.000 0.290 400 I C -0.998 175.384 176.117 0.443 0.000 1.088 400 I CA -0.853 60.612 61.300 0.275 0.000 1.047 400 I CB 2.031 40.193 38.000 0.269 0.000 1.237 400 I HN 0.608 nan 8.210 nan 0.000 0.421 401 D N 4.567 125.253 120.400 0.477 0.000 2.449 401 D HA 0.361 5.002 4.640 0.001 0.000 0.250 401 D C -0.502 175.780 176.300 -0.031 0.000 1.050 401 D CA -0.581 53.646 54.000 0.378 0.000 1.024 401 D CB 1.945 42.911 40.800 0.277 0.000 1.218 401 D HN 0.472 nan 8.370 nan 0.000 0.566 402 E N 0.035 119.990 120.200 -0.408 0.000 2.345 402 E HA 0.192 4.543 4.350 0.001 0.000 0.259 402 E C -0.186 176.086 176.600 -0.546 0.000 1.117 402 E CA -0.419 55.428 56.400 -0.922 0.000 0.913 402 E CB 0.983 30.355 29.700 -0.546 0.000 1.057 402 E HN 0.191 nan 8.360 nan 0.000 0.432 403 M N 3.354 122.649 119.600 -0.507 0.000 2.266 403 M HA 0.174 4.655 4.480 0.001 0.000 0.340 403 M C -2.137 173.942 176.300 -0.369 0.000 1.486 403 M CA -1.490 53.516 55.300 -0.490 0.000 1.209 403 M CB 0.370 32.785 32.600 -0.308 0.000 1.714 403 M HN 0.129 nan 8.290 nan 0.000 0.459 404 P HA 0.143 nan 4.420 nan 0.000 0.275 404 P C 0.745 177.924 177.300 -0.201 0.000 1.227 404 P CA -0.417 62.535 63.100 -0.247 0.000 0.781 404 P CB 0.647 32.213 31.700 -0.223 0.000 0.906 405 M N -0.392 119.130 119.600 -0.129 0.000 2.419 405 M HA -0.121 4.360 4.480 0.001 0.000 0.260 405 M C 0.045 176.298 176.300 -0.079 0.000 1.073 405 M CA 1.250 56.495 55.300 -0.092 0.000 1.056 405 M CB -1.624 30.936 32.600 -0.065 0.000 1.394 405 M HN 0.251 nan 8.290 nan 0.000 0.444 406 N N 3.089 121.736 118.700 -0.089 0.000 2.454 406 N HA 0.089 4.830 4.740 0.001 0.000 0.285 406 N C 1.353 176.831 175.510 -0.053 0.000 1.233 406 N CA 0.129 53.142 53.050 -0.061 0.000 1.036 406 N CB 0.525 38.979 38.487 -0.055 0.000 1.423 406 N HN 0.353 nan 8.380 nan 0.000 0.495 407 V N -0.867 119.027 119.914 -0.032 0.000 3.510 407 V HA 0.070 4.191 4.120 0.001 0.000 0.270 407 V C 1.757 177.855 176.094 0.007 0.000 1.201 407 V CA 0.964 63.258 62.300 -0.010 0.000 1.166 407 V CB -0.653 31.168 31.823 -0.002 0.000 0.825 407 V HN 0.431 nan 8.190 nan 0.000 0.484 408 A N -0.056 122.765 122.820 0.001 0.000 2.235 408 A HA 0.016 4.337 4.320 0.001 0.000 0.208 408 A C 1.682 179.279 177.584 0.021 0.000 1.172 408 A CA 1.002 53.043 52.037 0.008 0.000 0.786 408 A CB -0.451 18.549 19.000 0.001 0.000 0.804 408 A HN 0.557 nan 8.150 nan 0.000 0.479 409 D N -0.557 119.866 120.400 0.038 0.000 2.348 409 D HA -0.017 4.624 4.640 0.001 0.000 0.211 409 D C 1.627 177.972 176.300 0.074 0.000 0.998 409 D CA 0.271 54.311 54.000 0.068 0.000 0.873 409 D CB 0.140 41.012 40.800 0.120 0.000 0.925 409 D HN 0.539 nan 8.370 nan 0.000 0.524 410 L N 0.631 121.892 121.223 0.062 0.000 2.465 410 L HA 0.020 4.361 4.340 0.001 0.000 0.224 410 L C 1.931 178.817 176.870 0.027 0.000 1.145 410 L CA 0.358 55.229 54.840 0.051 0.000 0.834 410 L CB -0.166 41.919 42.059 0.043 0.000 0.944 410 L HN -0.110 nan 8.230 nan 0.000 0.451 411 I N 0.942 121.526 120.570 0.023 0.000 2.462 411 I HA -0.268 3.903 4.170 0.001 0.000 0.259 411 I C 0.645 176.766 176.117 0.007 0.000 1.156 411 I CA 0.425 61.732 61.300 0.011 0.000 1.417 411 I CB -0.506 37.501 38.000 0.010 0.000 1.088 411 I HN 0.346 nan 8.210 nan 0.000 0.442 412 L N 0.786 122.015 121.223 0.011 0.000 2.418 412 L HA 0.258 4.599 4.340 0.001 0.000 0.274 412 L C 0.637 177.505 176.870 -0.002 0.000 1.135 412 L CA -0.843 53.999 54.840 0.004 0.000 0.870 412 L CB -0.557 41.504 42.059 0.004 0.000 1.154 412 L HN 0.183 nan 8.230 nan 0.000 0.462 413 E N 0.000 120.196 120.200 -0.007 0.000 2.725 413 E HA 0.000 4.351 4.350 0.001 0.000 0.291 413 E CA 0.000 56.394 56.400 -0.010 0.000 0.976 413 E CB 0.000 29.693 29.700 -0.012 0.000 0.812 413 E HN 0.000 nan 8.360 nan 0.000 0.440