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 1zzg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLRLDTRFLP GFPEALSRHG PLLEEARRRL LAKRGEPGSM LGWMDLPEDT DATA SEQUENCE ETLREVRRYR EANPWVEDFV LIGIGGSALG PKALEAAFNE SGVRFHYLDH DATA SEQUENCE VEPEPILRLL RTLDPRKTLV NAVSKSGSTA ETLAGLAVFL KWLKAHLGED DATA SEQUENCE WRRHLVVTTD PKEGPLRAFA EREGLKAFAI PKEVGGRFSA LSPVGLLPLA DATA SEQUENCE FAGADLDALL MGARKANETA LAPLEESLPL KTALLLHLHR HLPVHVFMVY DATA SEQUENCE SERLSHLPSW FVQLHDESLG KVDRQGQRVG TTAVPALGPK DQHAQVQLFR DATA SEQUENCE EGPLDKLLAL VIPEAPLEDV EIPEVEGLEA ASYLFGKTLF QLLKAEAEAT DATA SEQUENCE YEALAEAGQR VYALFLPEVS PYAVGWLMQH LMWQTAFLGE LWEVNAFDQP DATA SEQUENCE GVELGKVLTR KRLAG 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.077 176.300 -0.372 0.000 1.140 1 M CA 0.000 55.310 55.300 0.016 0.000 0.988 1 M CB 0.000 32.663 32.600 0.106 0.000 1.302 2 L N 4.529 125.076 121.223 -1.127 0.000 2.462 2 L HA 0.483 4.823 4.340 -0.000 0.000 0.272 2 L C -0.467 176.145 176.870 -0.430 0.000 1.166 2 L CA 1.030 55.315 54.840 -0.925 0.000 0.880 2 L CB 0.340 41.443 42.059 -1.593 0.000 1.142 2 L HN 0.791 nan 8.230 nan 0.000 0.473 3 R N 4.637 125.024 120.500 -0.187 0.000 2.534 3 R HA 0.546 4.886 4.340 -0.000 0.000 0.301 3 R C -1.578 174.752 176.300 0.050 0.000 0.961 3 R CA -0.979 55.105 56.100 -0.026 0.000 0.871 3 R CB 1.360 31.679 30.300 0.033 0.000 1.170 3 R HN 0.655 nan 8.270 nan 0.000 0.446 4 L N 3.871 125.128 121.223 0.056 0.000 2.276 4 L HA 0.382 4.722 4.340 -0.000 0.000 0.286 4 L C -0.966 175.982 176.870 0.131 0.000 1.061 4 L CA 0.191 55.076 54.840 0.074 0.000 0.807 4 L CB 1.340 43.426 42.059 0.045 0.000 1.177 4 L HN 0.607 nan 8.230 nan 0.000 0.429 5 D N 2.836 123.347 120.400 0.186 0.000 2.408 5 D HA 0.308 4.948 4.640 -0.000 0.000 0.243 5 D C -0.456 175.971 176.300 0.211 0.000 1.075 5 D CA -0.093 54.050 54.000 0.237 0.000 0.832 5 D CB 1.765 42.856 40.800 0.486 0.000 1.162 5 D HN 0.694 nan 8.370 nan 0.000 0.515 6 T N 0.831 115.459 114.554 0.122 0.000 3.415 6 T HA 0.129 4.479 4.350 -0.000 0.000 0.282 6 T C 1.465 176.183 174.700 0.030 0.000 1.007 6 T CA -0.613 61.540 62.100 0.089 0.000 0.958 6 T CB -0.057 68.799 68.868 -0.022 0.000 1.171 6 T HN 0.511 nan 8.240 nan 0.000 0.500 7 R N 0.310 120.751 120.500 -0.098 0.000 2.170 7 R HA -0.064 4.276 4.340 -0.000 0.000 0.242 7 R C 0.485 176.526 176.300 -0.432 0.000 1.145 7 R CA 1.405 57.294 56.100 -0.352 0.000 0.984 7 R CB -0.779 29.144 30.300 -0.629 0.000 0.869 7 R HN 0.423 nan 8.270 nan 0.000 0.455 8 F N 0.869 120.814 119.950 -0.008 0.000 2.660 8 F HA 0.368 4.895 4.527 -0.000 0.000 0.302 8 F C 0.260 176.086 175.800 0.043 0.000 1.103 8 F CA -0.293 57.689 58.000 -0.029 0.000 1.340 8 F CB 0.547 39.474 39.000 -0.123 0.000 1.048 8 F HN -0.109 nan 8.300 nan 0.000 0.551 9 L N 2.549 123.884 121.223 0.187 0.000 2.529 9 L HA 0.268 4.608 4.340 -0.000 0.000 0.246 9 L C -1.385 175.595 176.870 0.183 0.000 1.394 9 L CA -1.179 53.777 54.840 0.194 0.000 0.906 9 L CB 1.094 43.263 42.059 0.182 0.000 1.170 9 L HN -0.197 nan 8.230 nan 0.000 0.501 10 P HA -0.159 nan 4.420 nan 0.000 0.218 10 P C 1.252 178.633 177.300 0.136 0.000 1.146 10 P CA 1.236 64.409 63.100 0.122 0.000 0.813 10 P CB 0.371 32.127 31.700 0.093 0.000 0.778 11 G N -1.648 107.246 108.800 0.157 0.000 2.985 11 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.209 11 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.209 11 G C 1.055 176.057 174.900 0.169 0.000 1.165 11 G CA -0.353 44.829 45.100 0.138 0.000 0.776 11 G HN 0.116 nan 8.290 nan 0.000 0.541 12 F N 2.537 122.529 119.950 0.069 0.000 2.075 12 F HA 0.047 4.574 4.527 -0.000 0.000 0.297 12 F C -0.004 175.829 175.800 0.054 0.000 1.113 12 F CA 0.704 58.742 58.000 0.062 0.000 1.218 12 F CB -0.755 38.280 39.000 0.058 0.000 0.984 12 F HN 0.072 nan 8.300 nan 0.000 0.472 13 P HA -0.181 nan 4.420 nan 0.000 0.216 13 P C 1.211 178.413 177.300 -0.164 0.000 1.150 13 P CA 2.034 65.049 63.100 -0.143 0.000 0.843 13 P CB 0.005 31.707 31.700 0.004 0.000 0.787 14 E N -0.578 119.573 120.200 -0.082 0.000 2.072 14 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 14 E C 2.138 178.704 176.600 -0.057 0.000 0.982 14 E CA 1.340 57.709 56.400 -0.052 0.000 0.803 14 E CB -1.328 28.368 29.700 -0.007 0.000 0.755 14 E HN 0.123 nan 8.360 nan 0.000 0.453 15 A N 0.688 123.473 122.820 -0.058 0.000 2.019 15 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 15 A C 2.091 179.682 177.584 0.013 0.000 1.164 15 A CA 1.069 53.133 52.037 0.045 0.000 0.644 15 A CB -0.503 18.527 19.000 0.051 0.000 0.805 15 A HN 0.260 nan 8.150 nan 0.000 0.449 16 L N -0.164 120.871 121.223 -0.313 0.000 2.027 16 L HA -0.067 4.273 4.340 -0.000 0.000 0.206 16 L C 2.489 179.293 176.870 -0.110 0.000 1.074 16 L CA 2.553 57.203 54.840 -0.318 0.000 0.745 16 L CB -0.796 40.932 42.059 -0.551 0.000 0.898 16 L HN 0.275 nan 8.230 nan 0.000 0.433 17 S N -0.387 115.251 115.700 -0.103 0.000 2.356 17 S HA -0.213 4.257 4.470 -0.000 0.000 0.223 17 S C 2.064 176.634 174.600 -0.050 0.000 1.032 17 S CA 1.453 59.615 58.200 -0.064 0.000 1.005 17 S CB -0.422 62.743 63.200 -0.059 0.000 0.867 17 S HN 0.459 nan 8.310 nan 0.000 0.449 18 R N 0.558 121.028 120.500 -0.050 0.000 2.103 18 R HA -0.144 4.196 4.340 -0.000 0.000 0.242 18 R C 1.097 177.265 176.300 -0.219 0.000 1.142 18 R CA 1.663 57.684 56.100 -0.132 0.000 0.960 18 R CB -0.212 29.992 30.300 -0.160 0.000 0.858 18 R HN 0.473 nan 8.270 nan 0.000 0.439 19 H N -1.266 117.780 119.070 -0.040 0.000 2.519 19 H HA 0.226 4.782 4.556 -0.000 0.000 0.289 19 H C 1.441 176.745 175.328 -0.040 0.000 1.040 19 H CA 0.308 56.345 56.048 -0.019 0.000 1.165 19 H CB 0.515 30.287 29.762 0.016 0.000 1.462 19 H HN 0.410 nan 8.280 nan 0.000 0.555 20 G N 2.062 110.873 108.800 0.018 0.000 2.514 20 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 20 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 20 G C -0.581 174.308 174.900 -0.019 0.000 1.198 20 G CA 0.505 45.597 45.100 -0.014 0.000 0.780 20 G HN 0.337 nan 8.290 nan 0.000 0.565 21 P HA -0.110 nan 4.420 nan 0.000 0.215 21 P C 2.081 179.374 177.300 -0.013 0.000 1.157 21 P CA 0.838 63.926 63.100 -0.020 0.000 0.874 21 P CB -0.169 31.517 31.700 -0.023 0.000 0.790 22 L N -0.909 120.319 121.223 0.008 0.000 2.013 22 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 22 L C 2.202 179.056 176.870 -0.026 0.000 1.073 22 L CA 1.904 56.755 54.840 0.017 0.000 0.753 22 L CB -1.380 40.729 42.059 0.083 0.000 0.890 22 L HN -0.113 nan 8.230 nan 0.000 0.432 23 L N -0.783 120.416 121.223 -0.040 0.000 2.046 23 L HA -0.165 4.174 4.340 -0.000 0.000 0.208 23 L C 2.674 179.452 176.870 -0.154 0.000 1.077 23 L CA 1.154 55.921 54.840 -0.121 0.000 0.747 23 L CB -0.833 41.156 42.059 -0.116 0.000 0.896 23 L HN 0.303 nan 8.230 nan 0.000 0.432 24 E N 0.034 120.175 120.200 -0.098 0.000 2.118 24 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 24 E C 2.017 178.584 176.600 -0.055 0.000 0.992 24 E CA 1.262 57.612 56.400 -0.084 0.000 0.804 24 E CB -0.092 29.578 29.700 -0.051 0.000 0.741 24 E HN 0.395 nan 8.360 nan 0.000 0.458 25 E N 1.043 121.222 120.200 -0.035 0.000 2.106 25 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 25 E C 1.874 178.478 176.600 0.007 0.000 0.984 25 E CA 1.323 57.719 56.400 -0.007 0.000 0.806 25 E CB -0.261 29.441 29.700 0.003 0.000 0.750 25 E HN 0.169 nan 8.360 nan 0.000 0.458 26 A N 0.942 123.751 122.820 -0.019 0.000 1.877 26 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 26 A C 2.324 179.961 177.584 0.088 0.000 1.186 26 A CA 1.852 53.901 52.037 0.020 0.000 0.620 26 A CB -0.649 18.330 19.000 -0.035 0.000 0.822 26 A HN 0.285 nan 8.150 nan 0.000 0.443 27 R N -0.537 119.943 120.500 -0.034 0.000 2.081 27 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 27 R C 2.433 178.837 176.300 0.173 0.000 1.131 27 R CA 1.593 57.752 56.100 0.098 0.000 0.960 27 R CB -0.325 29.887 30.300 -0.147 0.000 0.856 27 R HN 0.526 nan 8.270 nan 0.000 0.436 28 R N 0.437 120.984 120.500 0.078 0.000 2.083 28 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 28 R C 2.246 178.601 176.300 0.092 0.000 1.137 28 R CA 1.833 57.976 56.100 0.073 0.000 0.951 28 R CB -0.112 30.210 30.300 0.038 0.000 0.851 28 R HN 0.273 nan 8.270 nan 0.000 0.434 29 R N 0.173 120.731 120.500 0.096 0.000 2.081 29 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 29 R C 2.373 178.747 176.300 0.124 0.000 1.131 29 R CA 1.399 57.557 56.100 0.097 0.000 0.960 29 R CB -0.486 29.871 30.300 0.095 0.000 0.856 29 R HN 0.200 nan 8.270 nan 0.000 0.436 30 L N 1.163 122.500 121.223 0.189 0.000 2.005 30 L HA -0.121 4.218 4.340 -0.000 0.000 0.207 30 L C 1.983 178.935 176.870 0.136 0.000 1.072 30 L CA 1.664 56.629 54.840 0.209 0.000 0.744 30 L CB -0.458 41.812 42.059 0.351 0.000 0.895 30 L HN 0.113 nan 8.230 nan 0.000 0.433 31 L N -0.264 121.062 121.223 0.171 0.000 2.127 31 L HA -0.168 4.172 4.340 -0.000 0.000 0.211 31 L C 2.531 179.428 176.870 0.046 0.000 1.089 31 L CA 1.035 55.941 54.840 0.111 0.000 0.757 31 L CB -0.973 41.170 42.059 0.140 0.000 0.899 31 L HN 0.412 nan 8.230 nan 0.000 0.434 32 A N -0.149 122.702 122.820 0.051 0.000 2.172 32 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 32 A C 2.130 179.717 177.584 0.006 0.000 1.154 32 A CA 1.082 53.135 52.037 0.026 0.000 0.701 32 A CB -0.255 18.765 19.000 0.034 0.000 0.789 32 A HN 0.367 nan 8.150 nan 0.000 0.465 33 K N -0.317 120.081 120.400 -0.004 0.000 2.393 33 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 33 K C 0.310 176.858 176.600 -0.087 0.000 1.026 33 K CA -0.173 56.093 56.287 -0.035 0.000 1.064 33 K CB 0.254 32.739 32.500 -0.026 0.000 0.833 33 K HN 0.409 nan 8.250 nan 0.000 0.521 34 R N 0.078 120.520 120.500 -0.097 0.000 2.734 34 R HA 0.052 4.392 4.340 -0.000 0.000 0.266 34 R C 1.103 177.342 176.300 -0.101 0.000 1.044 34 R CA 0.790 56.808 56.100 -0.137 0.000 1.128 34 R CB 0.180 30.404 30.300 -0.126 0.000 1.010 34 R HN 0.329 nan 8.270 nan 0.000 0.461 35 G N 0.666 109.398 108.800 -0.114 0.000 2.302 35 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.263 35 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.263 35 G C -0.140 174.719 174.900 -0.069 0.000 0.995 35 G CA 0.184 45.235 45.100 -0.082 0.000 0.622 35 G HN 0.561 nan 8.290 nan 0.000 0.538 36 E N 2.384 122.540 120.200 -0.073 0.000 2.257 36 E HA 0.340 4.690 4.350 -0.000 0.000 0.278 36 E C -2.050 174.512 176.600 -0.065 0.000 1.049 36 E CA -1.984 54.383 56.400 -0.056 0.000 0.876 36 E CB 0.895 30.567 29.700 -0.047 0.000 1.035 36 E HN 0.388 nan 8.360 nan 0.000 0.419 37 P HA -0.026 nan 4.420 nan 0.000 0.264 37 P C 0.723 177.997 177.300 -0.043 0.000 1.193 37 P CA 0.571 63.643 63.100 -0.045 0.000 0.763 37 P CB 0.592 32.274 31.700 -0.029 0.000 0.810 38 G N 3.072 111.841 108.800 -0.052 0.000 2.176 38 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 38 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 38 G C 0.971 175.835 174.900 -0.060 0.000 0.979 38 G CA 0.427 45.503 45.100 -0.040 0.000 0.641 38 G HN 0.656 nan 8.290 nan 0.000 0.530 39 S N -0.038 115.598 115.700 -0.108 0.000 2.555 39 S HA 0.216 4.686 4.470 -0.000 0.000 0.230 39 S C 1.594 175.999 174.600 -0.325 0.000 0.978 39 S CA 1.173 59.277 58.200 -0.159 0.000 0.934 39 S CB -0.286 62.809 63.200 -0.174 0.000 0.766 39 S HN 1.186 nan 8.310 nan 0.000 0.533 40 M N -0.063 119.369 119.600 -0.279 0.000 2.302 40 M HA -0.132 4.348 4.480 -0.000 0.000 0.200 40 M C -0.013 175.915 176.300 -0.621 0.000 0.366 40 M CA 0.478 55.579 55.300 -0.332 0.000 0.440 40 M CB -2.597 29.890 32.600 -0.189 0.000 1.475 40 M HN 0.480 nan 8.290 nan 0.000 0.905 41 L N -1.652 119.176 121.223 -0.657 0.000 2.818 41 L HA 0.228 4.568 4.340 -0.000 0.000 0.243 41 L C 2.007 178.263 176.870 -1.025 0.000 1.185 41 L CA 0.345 54.569 54.840 -1.027 0.000 0.988 41 L CB 0.132 41.666 42.059 -0.875 0.000 1.292 41 L HN 0.583 nan 8.230 nan 0.000 0.519 42 G N 0.844 109.315 108.800 -0.548 0.000 2.479 42 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 42 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 42 G C 1.269 175.992 174.900 -0.295 0.000 1.115 42 G CA 0.276 45.170 45.100 -0.344 0.000 0.757 42 G HN 0.688 nan 8.290 nan 0.000 0.560 43 W N 0.153 121.341 121.300 -0.186 0.000 2.421 43 W HA 0.043 4.703 4.660 -0.000 0.000 0.270 43 W C 1.882 178.324 176.519 -0.127 0.000 1.233 43 W CA 0.557 57.843 57.345 -0.098 0.000 1.226 43 W CB -0.927 28.515 29.460 -0.030 0.000 1.121 43 W HN 0.214 nan 8.180 nan 0.000 0.579 44 M N 1.064 120.169 119.600 -0.825 0.000 2.229 44 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 44 M C 1.330 177.531 176.300 -0.164 0.000 1.063 44 M CA 1.807 56.752 55.300 -0.593 0.000 1.114 44 M CB -0.542 31.549 32.600 -0.849 0.000 1.387 44 M HN -0.141 nan 8.290 nan 0.000 0.420 45 D N 0.324 120.616 120.400 -0.180 0.000 2.333 45 D HA 0.034 4.674 4.640 -0.000 0.000 0.208 45 D C 2.107 178.403 176.300 -0.008 0.000 0.984 45 D CA 0.710 54.666 54.000 -0.075 0.000 0.873 45 D CB -0.010 40.730 40.800 -0.100 0.000 0.935 45 D HN 0.367 nan 8.370 nan 0.000 0.521 46 L N 1.022 122.259 121.223 0.024 0.000 2.043 46 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 46 L C -0.433 176.474 176.870 0.061 0.000 1.075 46 L CA 1.525 56.401 54.840 0.060 0.000 0.752 46 L CB -1.697 40.428 42.059 0.109 0.000 0.891 46 L HN 0.026 nan 8.230 nan 0.000 0.432 47 P HA -0.148 nan 4.420 nan 0.000 0.222 47 P C 1.022 178.346 177.300 0.039 0.000 1.147 47 P CA 1.182 64.320 63.100 0.063 0.000 0.790 47 P CB 0.058 31.808 31.700 0.084 0.000 0.780 48 E N -1.209 119.010 120.200 0.032 0.000 2.474 48 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 48 E C 0.382 176.992 176.600 0.017 0.000 1.041 48 E CA 0.037 56.449 56.400 0.019 0.000 0.874 48 E CB -0.156 29.551 29.700 0.012 0.000 0.914 48 E HN 0.135 nan 8.360 nan 0.000 0.498 49 D N 1.262 121.675 120.400 0.022 0.000 2.558 49 D HA -0.023 4.617 4.640 -0.000 0.000 0.221 49 D C 0.930 177.245 176.300 0.026 0.000 1.143 49 D CA 0.113 54.127 54.000 0.024 0.000 1.010 49 D CB 0.393 41.211 40.800 0.030 0.000 1.068 49 D HN 0.032 nan 8.370 nan 0.000 0.511 50 T N -0.627 113.940 114.554 0.021 0.000 3.088 50 T HA -0.014 4.336 4.350 -0.000 0.000 0.259 50 T C 1.345 176.059 174.700 0.023 0.000 1.122 50 T CA 0.287 62.398 62.100 0.019 0.000 1.095 50 T CB 0.254 69.130 68.868 0.013 0.000 0.930 50 T HN 0.107 nan 8.240 nan 0.000 0.508 51 E N 1.502 121.719 120.200 0.028 0.000 2.112 51 E HA -0.024 4.326 4.350 -0.000 0.000 0.190 51 E C 2.352 178.984 176.600 0.053 0.000 0.979 51 E CA 1.183 57.604 56.400 0.035 0.000 0.814 51 E CB -0.660 29.059 29.700 0.032 0.000 0.762 51 E HN 0.524 nan 8.360 nan 0.000 0.460 52 T N 2.505 117.095 114.554 0.061 0.000 2.788 52 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 52 T C 2.030 176.778 174.700 0.080 0.000 1.044 52 T CA 0.857 63.013 62.100 0.093 0.000 1.139 52 T CB -0.296 68.629 68.868 0.094 0.000 0.867 52 T HN 0.130 nan 8.240 nan 0.000 0.454 53 L N 0.953 122.201 121.223 0.042 0.000 2.013 53 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 53 L C 2.640 179.523 176.870 0.022 0.000 1.073 53 L CA 1.702 56.551 54.840 0.015 0.000 0.753 53 L CB -0.211 41.851 42.059 0.005 0.000 0.890 53 L HN 0.143 nan 8.230 nan 0.000 0.432 54 R N -0.446 120.074 120.500 0.034 0.000 2.120 54 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 54 R C 2.239 178.581 176.300 0.070 0.000 1.123 54 R CA 1.642 57.764 56.100 0.037 0.000 0.975 54 R CB -0.386 29.933 30.300 0.032 0.000 0.866 54 R HN 0.569 nan 8.270 nan 0.000 0.446 55 E N 0.665 120.930 120.200 0.109 0.000 2.072 55 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 55 E C 1.879 178.647 176.600 0.279 0.000 0.985 55 E CA 1.056 57.568 56.400 0.187 0.000 0.801 55 E CB 0.226 30.055 29.700 0.216 0.000 0.750 55 E HN 0.104 nan 8.360 nan 0.000 0.452 56 V N 1.386 121.411 119.914 0.185 0.000 2.295 56 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 56 V C 2.643 178.778 176.094 0.068 0.000 1.049 56 V CA 2.186 64.504 62.300 0.029 0.000 1.024 56 V CB -0.627 31.078 31.823 -0.196 0.000 0.648 56 V HN 0.289 nan 8.190 nan 0.000 0.447 57 R N 0.050 120.558 120.500 0.014 0.000 2.081 57 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 57 R C 2.528 178.818 176.300 -0.016 0.000 1.131 57 R CA 2.022 58.098 56.100 -0.040 0.000 0.960 57 R CB -0.287 29.991 30.300 -0.038 0.000 0.856 57 R HN 0.453 nan 8.270 nan 0.000 0.436 58 R N -0.626 119.909 120.500 0.060 0.000 2.083 58 R HA -0.234 4.106 4.340 -0.000 0.000 0.237 58 R C 2.225 178.587 176.300 0.104 0.000 1.137 58 R CA 1.981 58.124 56.100 0.071 0.000 0.951 58 R CB -0.617 29.743 30.300 0.101 0.000 0.851 58 R HN 0.340 nan 8.270 nan 0.000 0.434 59 Y N 1.270 121.623 120.300 0.089 0.000 2.165 59 Y HA -0.234 4.316 4.550 -0.000 0.000 0.286 59 Y C 2.430 178.350 175.900 0.032 0.000 1.155 59 Y CA 1.842 60.029 58.100 0.145 0.000 1.164 59 Y CB -0.280 38.401 38.460 0.369 0.000 0.978 59 Y HN -0.019 nan 8.280 nan 0.000 0.513 60 R N 1.111 121.471 120.500 -0.233 0.000 2.081 60 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 60 R C 1.895 177.887 176.300 -0.514 0.000 1.131 60 R CA 2.203 57.848 56.100 -0.759 0.000 0.960 60 R CB -0.450 29.322 30.300 -0.880 0.000 0.856 60 R HN 0.570 nan 8.270 nan 0.000 0.436 61 E N -0.497 119.538 120.200 -0.275 0.000 2.274 61 E HA -0.064 4.286 4.350 -0.000 0.000 0.194 61 E C 1.516 178.046 176.600 -0.118 0.000 0.996 61 E CA 0.891 57.189 56.400 -0.170 0.000 0.840 61 E CB 0.031 29.673 29.700 -0.098 0.000 0.772 61 E HN 0.398 nan 8.360 nan 0.000 0.491 62 A N 0.842 123.590 122.820 -0.119 0.000 2.238 62 A HA 0.016 4.335 4.320 -0.000 0.000 0.208 62 A C 0.710 178.270 177.584 -0.040 0.000 1.177 62 A CA 0.284 52.291 52.037 -0.050 0.000 0.804 62 A CB 0.236 19.232 19.000 -0.007 0.000 0.823 62 A HN 0.066 nan 8.150 nan 0.000 0.482 63 N N 0.193 118.796 118.700 -0.162 0.000 2.723 63 N HA 0.146 4.886 4.740 -0.000 0.000 0.290 63 N C -2.465 172.835 175.510 -0.350 0.000 1.882 63 N CA -0.751 52.172 53.050 -0.211 0.000 0.851 63 N CB 1.196 39.468 38.487 -0.358 0.000 1.234 63 N HN 0.257 nan 8.380 nan 0.000 0.491 64 P HA -0.057 nan 4.420 nan 0.000 0.237 64 P C 1.441 178.726 177.300 -0.024 0.000 1.178 64 P CA 0.418 63.475 63.100 -0.071 0.000 0.766 64 P CB -0.130 31.574 31.700 0.006 0.000 0.876 65 W N 0.094 121.421 121.300 0.045 0.000 2.678 65 W HA 0.102 4.762 4.660 -0.000 0.000 0.256 65 W C -0.104 176.450 176.519 0.059 0.000 1.280 65 W CA -0.256 57.114 57.345 0.042 0.000 1.345 65 W CB -1.335 28.138 29.460 0.021 0.000 1.118 65 W HN -0.346 nan 8.180 nan 0.000 0.629 66 V N 3.237 122.777 119.914 -0.624 0.000 2.493 66 V HA -0.117 4.003 4.120 -0.000 0.000 0.292 66 V C 0.991 177.009 176.094 -0.128 0.000 1.016 66 V CA 1.073 63.057 62.300 -0.526 0.000 1.097 66 V CB 0.732 32.112 31.823 -0.738 0.000 0.947 66 V HN 0.135 nan 8.190 nan 0.000 0.479 67 E N 1.920 122.111 120.200 -0.015 0.000 2.453 67 E HA 0.158 4.508 4.350 -0.000 0.000 0.211 67 E C -0.240 176.350 176.600 -0.017 0.000 0.897 67 E CA 0.049 56.460 56.400 0.019 0.000 1.063 67 E CB 0.768 30.523 29.700 0.091 0.000 1.080 67 E HN 0.725 nan 8.360 nan 0.000 0.512 68 D N 0.120 120.512 120.400 -0.013 0.000 2.696 68 D HA 0.181 4.821 4.640 -0.000 0.000 0.251 68 D C -1.592 174.641 176.300 -0.110 0.000 1.188 68 D CA -0.377 53.630 54.000 0.011 0.000 0.876 68 D CB 1.801 42.727 40.800 0.210 0.000 1.334 68 D HN -0.057 nan 8.370 nan 0.000 0.540 69 F N 2.849 122.493 119.950 -0.511 0.000 2.361 69 F HA 0.285 4.812 4.527 -0.000 0.000 0.364 69 F C -0.631 174.949 175.800 -0.367 0.000 1.117 69 F CA -0.588 57.057 58.000 -0.591 0.000 1.071 69 F CB 1.001 39.345 39.000 -1.093 0.000 1.188 69 F HN 0.006 nan 8.300 nan 0.000 0.464 70 V N 8.219 127.888 119.914 -0.409 0.000 2.304 70 V HA 0.195 4.315 4.120 -0.000 0.000 0.269 70 V C -0.058 175.793 176.094 -0.405 0.000 1.036 70 V CA -0.629 61.466 62.300 -0.342 0.000 0.840 70 V CB 1.151 32.662 31.823 -0.520 0.000 1.036 70 V HN 0.641 nan 8.190 nan 0.000 0.466 71 L N 6.832 127.949 121.223 -0.177 0.000 2.268 71 L HA 0.510 4.850 4.340 -0.000 0.000 0.289 71 L C -0.255 176.594 176.870 -0.035 0.000 1.064 71 L CA -0.247 54.586 54.840 -0.012 0.000 0.824 71 L CB 0.544 42.743 42.059 0.232 0.000 1.202 71 L HN 0.535 nan 8.230 nan 0.000 0.433 72 I N 5.622 126.144 120.570 -0.081 0.000 2.281 72 I HA 0.446 4.616 4.170 -0.000 0.000 0.293 72 I C 0.594 176.724 176.117 0.021 0.000 1.085 72 I CA -0.137 61.123 61.300 -0.066 0.000 1.257 72 I CB 0.564 38.497 38.000 -0.111 0.000 1.430 72 I HN 0.680 nan 8.210 nan 0.000 0.489 73 G N 6.317 115.156 108.800 0.064 0.000 2.632 73 G HA2 0.658 4.617 3.960 -0.000 0.000 0.292 73 G HA3 0.658 4.617 3.960 -0.000 0.000 0.292 73 G C -1.870 173.085 174.900 0.092 0.000 1.465 73 G CA -0.417 44.735 45.100 0.086 0.000 0.824 73 G HN 0.415 nan 8.290 nan 0.000 0.509 74 I N 0.179 120.795 120.570 0.076 0.000 2.865 74 I HA 0.652 4.822 4.170 -0.000 0.000 0.302 74 I C 0.967 177.118 176.117 0.057 0.000 1.140 74 I CA 0.731 62.071 61.300 0.068 0.000 1.021 74 I CB 2.066 40.098 38.000 0.053 0.000 1.233 74 I HN 1.692 nan 8.210 nan 0.000 0.427 75 G N 3.968 112.795 108.800 0.045 0.000 2.565 75 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.295 75 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.295 75 G C 0.896 175.817 174.900 0.035 0.000 1.165 75 G CA 0.394 45.508 45.100 0.023 0.000 0.977 75 G HN 1.297 nan 8.290 nan 0.000 0.546 76 G N -0.429 108.388 108.800 0.028 0.000 2.498 76 G HA2 0.145 4.105 3.960 -0.000 0.000 0.219 76 G HA3 0.145 4.105 3.960 -0.000 0.000 0.219 76 G C 1.777 176.734 174.900 0.094 0.000 1.119 76 G CA 1.999 47.130 45.100 0.052 0.000 0.766 76 G HN 1.207 nan 8.290 nan 0.000 0.552 77 S N -0.303 115.451 115.700 0.091 0.000 2.575 77 S HA 0.463 4.933 4.470 -0.000 0.000 0.215 77 S C 1.908 176.586 174.600 0.130 0.000 0.966 77 S CA 0.491 58.758 58.200 0.112 0.000 0.911 77 S CB 0.480 63.743 63.200 0.105 0.000 0.780 77 S HN 0.581 nan 8.310 nan 0.000 0.514 78 A N 0.506 123.392 122.820 0.111 0.000 1.933 78 A HA 0.428 4.748 4.320 -0.000 0.000 0.198 78 A C 1.606 179.199 177.584 0.016 0.000 1.617 78 A CA -0.115 51.984 52.037 0.104 0.000 1.039 78 A CB -0.352 18.713 19.000 0.108 0.000 1.066 78 A HN 0.320 nan 8.150 nan 0.000 0.484 79 L N 0.313 121.570 121.223 0.056 0.000 2.012 79 L HA -0.133 4.207 4.340 -0.000 0.000 0.210 79 L C 2.774 179.711 176.870 0.111 0.000 1.073 79 L CA 1.513 56.408 54.840 0.091 0.000 0.748 79 L CB -0.749 41.411 42.059 0.169 0.000 0.891 79 L HN 0.494 nan 8.230 nan 0.000 0.431 80 G N 0.224 109.121 108.800 0.162 0.000 2.453 80 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 80 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 80 G C -0.692 174.138 174.900 -0.117 0.000 1.201 80 G CA 0.734 45.806 45.100 -0.045 0.000 0.784 80 G HN 0.303 nan 8.290 nan 0.000 0.545 81 P HA -0.063 nan 4.420 nan 0.000 0.215 81 P C 1.861 179.059 177.300 -0.169 0.000 1.157 81 P CA 1.453 64.523 63.100 -0.049 0.000 0.874 81 P CB -0.015 31.750 31.700 0.108 0.000 0.790 82 K N -0.647 119.559 120.400 -0.324 0.000 2.032 82 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 82 K C 2.127 178.481 176.600 -0.411 0.000 1.048 82 K CA 1.723 57.622 56.287 -0.648 0.000 0.927 82 K CB -0.759 31.252 32.500 -0.815 0.000 0.712 82 K HN 0.010 nan 8.250 nan 0.000 0.441 83 A N 1.213 123.898 122.820 -0.226 0.000 1.883 83 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 83 A C 2.123 179.576 177.584 -0.219 0.000 1.186 83 A CA 1.464 53.418 52.037 -0.139 0.000 0.624 83 A CB -0.662 18.254 19.000 -0.139 0.000 0.822 83 A HN 0.196 nan 8.150 nan 0.000 0.444 84 L N -1.028 120.064 121.223 -0.218 0.000 2.044 84 L HA -0.126 4.214 4.340 -0.000 0.000 0.205 84 L C 2.755 179.509 176.870 -0.194 0.000 1.075 84 L CA 1.465 56.213 54.840 -0.153 0.000 0.747 84 L CB -0.526 41.504 42.059 -0.048 0.000 0.903 84 L HN 0.477 nan 8.230 nan 0.000 0.435 85 E N 0.974 121.023 120.200 -0.252 0.000 2.110 85 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 85 E C 2.121 178.552 176.600 -0.282 0.000 0.988 85 E CA 1.427 57.620 56.400 -0.346 0.000 0.804 85 E CB 0.114 29.462 29.700 -0.586 0.000 0.745 85 E HN 0.416 nan 8.360 nan 0.000 0.458 86 A N 0.879 123.545 122.820 -0.256 0.000 1.972 86 A HA -0.013 4.307 4.320 -0.000 0.000 0.219 86 A C 2.298 179.750 177.584 -0.220 0.000 1.169 86 A CA 1.807 53.745 52.037 -0.166 0.000 0.635 86 A CB -0.399 18.569 19.000 -0.052 0.000 0.810 86 A HN 0.346 nan 8.150 nan 0.000 0.446 87 A N -1.909 120.658 122.820 -0.422 0.000 2.030 87 A HA 0.379 4.699 4.320 -0.000 0.000 0.215 87 A C 0.942 178.072 177.584 -0.758 0.000 1.164 87 A CA 0.706 52.315 52.037 -0.713 0.000 0.697 87 A CB -0.142 18.152 19.000 -1.176 0.000 0.827 87 A HN 0.444 nan 8.150 nan 0.000 0.457 88 F N -0.163 119.748 119.950 -0.066 0.000 2.814 88 F HA 0.314 4.841 4.527 -0.000 0.000 0.326 88 F C 0.250 176.015 175.800 -0.060 0.000 1.159 88 F CA -1.585 56.382 58.000 -0.056 0.000 1.234 88 F CB -0.202 38.762 39.000 -0.061 0.000 1.016 88 F HN 0.064 nan 8.300 nan 0.000 0.510 89 N N 2.161 120.888 118.700 0.045 0.000 2.405 89 N HA 0.023 4.763 4.740 -0.000 0.000 0.260 89 N C 0.667 176.223 175.510 0.077 0.000 1.152 89 N CA 0.602 53.680 53.050 0.046 0.000 0.948 89 N CB 0.685 39.189 38.487 0.028 0.000 1.111 89 N HN 0.469 nan 8.380 nan 0.000 0.485 90 E N 0.960 121.209 120.200 0.082 0.000 2.413 90 E HA -0.043 4.307 4.350 -0.000 0.000 0.203 90 E C 1.393 178.032 176.600 0.064 0.000 0.957 90 E CA 0.211 56.652 56.400 0.068 0.000 0.950 90 E CB 0.231 29.963 29.700 0.054 0.000 0.957 90 E HN 0.709 nan 8.360 nan 0.000 0.497 91 S N -0.101 115.648 115.700 0.081 0.000 2.453 91 S HA 0.034 4.504 4.470 -0.000 0.000 0.231 91 S C 1.830 176.478 174.600 0.081 0.000 1.005 91 S CA 0.840 59.087 58.200 0.077 0.000 0.949 91 S CB 0.062 63.318 63.200 0.094 0.000 0.774 91 S HN 0.349 nan 8.310 nan 0.000 0.510 92 G N 0.244 109.104 108.800 0.100 0.000 2.176 92 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.253 92 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.253 92 G C 0.130 175.079 174.900 0.083 0.000 0.979 92 G CA 0.060 45.212 45.100 0.086 0.000 0.641 92 G HN 0.709 nan 8.290 nan 0.000 0.530 93 V N 1.554 121.527 119.914 0.097 0.000 2.673 93 V HA 0.252 4.372 4.120 -0.000 0.000 0.303 93 V C 1.260 177.321 176.094 -0.055 0.000 1.046 93 V CA 0.280 62.573 62.300 -0.011 0.000 1.126 93 V CB 0.865 32.648 31.823 -0.066 0.000 0.934 93 V HN 0.414 nan 8.190 nan 0.000 0.487 94 R N 4.037 124.436 120.500 -0.169 0.000 2.254 94 R HA 0.454 4.794 4.340 -0.000 0.000 0.318 94 R C -1.118 174.824 176.300 -0.597 0.000 1.031 94 R CA -0.143 55.834 56.100 -0.206 0.000 0.905 94 R CB 0.771 31.024 30.300 -0.079 0.000 1.050 94 R HN 0.500 nan 8.270 nan 0.000 0.456 95 F N 2.563 122.253 119.950 -0.432 0.000 2.443 95 F HA 0.327 4.854 4.527 -0.000 0.000 0.335 95 F C 0.637 175.957 175.800 -0.799 0.000 1.104 95 F CA -0.541 57.143 58.000 -0.526 0.000 1.013 95 F CB 1.305 40.104 39.000 -0.334 0.000 1.136 95 F HN 0.311 nan 8.300 nan 0.000 0.470 96 H N 3.340 122.285 119.070 -0.208 0.000 2.658 96 H HA 0.246 4.802 4.556 -0.000 0.000 0.337 96 H C -1.488 173.648 175.328 -0.319 0.000 1.009 96 H CA -0.772 55.187 56.048 -0.148 0.000 1.231 96 H CB 1.246 30.958 29.762 -0.083 0.000 1.508 96 H HN 0.551 nan 8.280 nan 0.000 0.517 97 Y N 2.221 122.629 120.300 0.181 0.000 2.353 97 Y HA 0.172 4.722 4.550 -0.000 0.000 0.340 97 Y C 0.223 176.191 175.900 0.113 0.000 0.972 97 Y CA -0.815 57.361 58.100 0.127 0.000 1.157 97 Y CB 1.158 39.676 38.460 0.097 0.000 1.157 97 Y HN 0.416 nan 8.280 nan 0.000 0.495 98 L N 5.432 126.719 121.223 0.107 0.000 2.397 98 L HA 0.211 4.551 4.340 -0.000 0.000 0.263 98 L C -0.076 176.789 176.870 -0.008 0.000 1.136 98 L CA -0.187 54.624 54.840 -0.047 0.000 1.019 98 L CB -0.266 41.704 42.059 -0.148 0.000 1.352 98 L HN 0.608 nan 8.230 nan 0.000 0.420 99 D N 0.647 121.122 120.400 0.125 0.000 2.894 99 D HA 0.199 4.839 4.640 -0.000 0.000 0.273 99 D C -0.030 176.378 176.300 0.180 0.000 1.328 99 D CA -0.298 53.784 54.000 0.137 0.000 0.845 99 D CB -0.125 40.777 40.800 0.171 0.000 1.072 99 D HN 0.582 nan 8.370 nan 0.000 0.484 100 H N -3.768 115.340 119.070 0.063 0.000 2.887 100 H HA 0.476 5.032 4.556 -0.000 0.000 0.290 100 H C -0.563 174.791 175.328 0.045 0.000 1.429 100 H CA -0.760 55.317 56.048 0.049 0.000 1.137 100 H CB 0.888 30.680 29.762 0.050 0.000 1.824 100 H HN -0.122 nan 8.280 nan 0.000 0.520 101 V N -2.942 117.048 119.914 0.127 0.000 3.199 101 V HA 0.321 4.441 4.120 -0.000 0.000 0.331 101 V C 0.338 176.527 176.094 0.158 0.000 1.446 101 V CA -0.002 62.330 62.300 0.053 0.000 1.120 101 V CB 0.077 31.916 31.823 0.027 0.000 1.051 101 V HN 0.814 nan 8.190 nan 0.000 0.495 102 E N 3.486 123.902 120.200 0.359 0.000 2.366 102 E HA 0.200 4.550 4.350 -0.000 0.000 0.266 102 E C -1.033 175.673 176.600 0.176 0.000 1.015 102 E CA -1.227 55.291 56.400 0.196 0.000 0.906 102 E CB 1.488 31.254 29.700 0.109 0.000 0.979 102 E HN 0.309 nan 8.360 nan 0.000 0.443 103 P HA -0.203 nan 4.420 nan 0.000 0.215 103 P C 0.455 177.778 177.300 0.037 0.000 1.157 103 P CA 1.349 64.476 63.100 0.045 0.000 0.868 103 P CB 0.307 32.016 31.700 0.015 0.000 0.788 104 E N 0.457 120.675 120.200 0.031 0.000 2.049 104 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 104 E C -0.386 176.227 176.600 0.023 0.000 1.007 104 E CA 2.125 58.534 56.400 0.014 0.000 0.809 104 E CB -2.186 27.518 29.700 0.006 0.000 0.749 104 E HN 0.405 nan 8.360 nan 0.000 0.450 105 P HA -0.102 nan 4.420 nan 0.000 0.218 105 P C 1.002 178.358 177.300 0.093 0.000 1.149 105 P CA 1.047 64.191 63.100 0.073 0.000 0.817 105 P CB 0.082 31.822 31.700 0.068 0.000 0.785 106 I N -1.550 119.085 120.570 0.109 0.000 2.286 106 I HA -0.168 4.002 4.170 -0.000 0.000 0.245 106 I C 2.191 178.240 176.117 -0.114 0.000 1.104 106 I CA 1.054 62.371 61.300 0.029 0.000 1.397 106 I CB -0.485 37.529 38.000 0.022 0.000 1.072 106 I HN -0.112 nan 8.210 nan 0.000 0.417 107 L N 0.404 121.570 121.223 -0.094 0.000 2.131 107 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 107 L C 2.747 179.541 176.870 -0.127 0.000 1.092 107 L CA 1.202 55.963 54.840 -0.131 0.000 0.759 107 L CB -0.495 41.520 42.059 -0.074 0.000 0.903 107 L HN 0.236 nan 8.230 nan 0.000 0.435 108 R N 0.423 120.876 120.500 -0.078 0.000 2.096 108 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 108 R C 2.284 178.519 176.300 -0.108 0.000 1.127 108 R CA 1.216 57.277 56.100 -0.064 0.000 0.968 108 R CB -0.123 30.162 30.300 -0.025 0.000 0.861 108 R HN 0.310 nan 8.270 nan 0.000 0.440 109 L N 0.577 121.713 121.223 -0.144 0.000 2.027 109 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 109 L C 2.378 179.021 176.870 -0.377 0.000 1.074 109 L CA 1.172 55.881 54.840 -0.219 0.000 0.745 109 L CB -0.384 41.595 42.059 -0.133 0.000 0.898 109 L HN 0.284 nan 8.230 nan 0.000 0.433 110 L N -0.634 120.252 121.223 -0.563 0.000 2.191 110 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 110 L C 2.449 179.174 176.870 -0.241 0.000 1.103 110 L CA 1.203 55.535 54.840 -0.847 0.000 0.769 110 L CB -0.457 41.099 42.059 -0.837 0.000 0.908 110 L HN 0.250 nan 8.230 nan 0.000 0.438 111 R N -0.913 119.504 120.500 -0.137 0.000 2.280 111 R HA 0.001 4.341 4.340 -0.000 0.000 0.195 111 R C 1.869 178.169 176.300 0.000 0.000 0.935 111 R CA 1.137 57.226 56.100 -0.018 0.000 1.033 111 R CB 0.120 30.407 30.300 -0.022 0.000 0.964 111 R HN 0.429 nan 8.270 nan 0.000 0.489 112 T N -2.907 111.629 114.554 -0.030 0.000 2.959 112 T HA 0.291 4.641 4.350 -0.000 0.000 0.254 112 T C 0.629 175.342 174.700 0.020 0.000 1.003 112 T CA -0.258 61.839 62.100 -0.005 0.000 0.950 112 T CB 0.320 69.177 68.868 -0.019 0.000 1.090 112 T HN -0.095 nan 8.240 nan 0.000 0.503 113 L N 2.407 123.648 121.223 0.030 0.000 2.350 113 L HA 0.482 4.822 4.340 -0.000 0.000 0.275 113 L C -0.143 176.882 176.870 0.258 0.000 1.099 113 L CA -0.827 54.089 54.840 0.126 0.000 0.808 113 L CB 0.921 43.043 42.059 0.105 0.000 1.149 113 L HN 0.151 nan 8.230 nan 0.000 0.442 114 D N 3.838 124.354 120.400 0.192 0.000 2.347 114 D HA 0.182 4.822 4.640 -0.000 0.000 0.235 114 D C -1.810 174.551 176.300 0.101 0.000 1.149 114 D CA -2.005 52.056 54.000 0.102 0.000 0.850 114 D CB 1.909 42.758 40.800 0.082 0.000 1.061 114 D HN 0.164 nan 8.370 nan 0.000 0.487 115 P HA -0.136 nan 4.420 nan 0.000 0.216 115 P C 1.108 178.290 177.300 -0.196 0.000 1.153 115 P CA 1.125 63.975 63.100 -0.416 0.000 0.858 115 P CB 0.229 31.390 31.700 -0.899 0.000 0.789 116 R N -0.349 120.070 120.500 -0.135 0.000 2.285 116 R HA -0.033 4.307 4.340 -0.000 0.000 0.213 116 R C 1.308 177.755 176.300 0.244 0.000 1.068 116 R CA 0.946 57.031 56.100 -0.025 0.000 1.004 116 R CB -0.286 29.984 30.300 -0.049 0.000 0.873 116 R HN 0.353 nan 8.270 nan 0.000 0.467 117 K N -0.271 120.318 120.400 0.316 0.000 2.413 117 K HA 0.146 4.466 4.320 -0.000 0.000 0.204 117 K C -0.228 176.657 176.600 0.476 0.000 1.041 117 K CA 0.072 56.632 56.287 0.455 0.000 1.082 117 K CB 1.484 34.142 32.500 0.264 0.000 0.871 117 K HN -0.096 nan 8.250 nan 0.000 0.535 118 T N 1.660 116.532 114.554 0.530 0.000 2.824 118 T HA 0.395 4.745 4.350 -0.000 0.000 0.280 118 T C -1.163 173.834 174.700 0.494 0.000 0.995 118 T CA -0.565 61.786 62.100 0.418 0.000 1.009 118 T CB 1.517 70.655 68.868 0.451 0.000 0.955 118 T HN -0.051 nan 8.240 nan 0.000 0.452 119 L N 4.488 125.762 121.223 0.084 0.000 2.325 119 L HA 0.662 5.002 4.340 -0.000 0.000 0.281 119 L C -0.999 175.677 176.870 -0.323 0.000 1.004 119 L CA -0.590 54.201 54.840 -0.081 0.000 0.823 119 L CB 1.380 43.148 42.059 -0.484 0.000 1.236 119 L HN 0.429 nan 8.230 nan 0.000 0.415 120 V N 5.354 125.187 119.914 -0.134 0.000 2.407 120 V HA 0.382 4.502 4.120 -0.000 0.000 0.278 120 V C -0.011 175.920 176.094 -0.272 0.000 1.037 120 V CA -0.513 61.637 62.300 -0.249 0.000 0.900 120 V CB 1.362 33.160 31.823 -0.041 0.000 0.983 120 V HN 0.861 nan 8.190 nan 0.000 0.459 121 N N 3.470 121.926 118.700 -0.407 0.000 2.564 121 N HA 0.555 5.295 4.740 -0.000 0.000 0.248 121 N C -0.368 175.112 175.510 -0.050 0.000 0.986 121 N CA -0.503 52.427 53.050 -0.200 0.000 0.921 121 N CB 1.142 39.486 38.487 -0.239 0.000 1.136 121 N HN 0.809 nan 8.380 nan 0.000 0.509 122 A N 3.439 126.275 122.820 0.027 0.000 2.302 122 A HA 0.415 4.735 4.320 -0.000 0.000 0.295 122 A C -0.355 177.283 177.584 0.089 0.000 1.235 122 A CA -0.295 51.770 52.037 0.048 0.000 0.876 122 A CB 0.399 19.441 19.000 0.070 0.000 1.133 122 A HN 0.434 nan 8.150 nan 0.000 0.533 123 V N 2.546 122.513 119.914 0.089 0.000 2.444 123 V HA 0.755 4.875 4.120 -0.000 0.000 0.294 123 V C 0.050 176.201 176.094 0.094 0.000 1.022 123 V CA -0.217 62.150 62.300 0.113 0.000 0.850 123 V CB 1.354 33.261 31.823 0.140 0.000 0.992 123 V HN 0.981 nan 8.190 nan 0.000 0.426 124 S N 3.460 119.216 115.700 0.094 0.000 2.582 124 S HA 0.318 4.788 4.470 -0.000 0.000 0.287 124 S C 0.335 174.985 174.600 0.083 0.000 1.146 124 S CA -0.596 57.651 58.200 0.080 0.000 0.941 124 S CB 1.763 65.001 63.200 0.063 0.000 1.115 124 S HN 0.810 nan 8.310 nan 0.000 0.458 125 K N 2.421 122.870 120.400 0.081 0.000 1.978 125 K HA -0.100 4.220 4.320 -0.000 0.000 0.214 125 K C 2.057 178.699 176.600 0.069 0.000 1.049 125 K CA 2.398 58.733 56.287 0.081 0.000 0.939 125 K CB -0.547 32.003 32.500 0.083 0.000 0.721 125 K HN 0.716 nan 8.250 nan 0.000 0.441 126 S N -1.004 114.733 115.700 0.061 0.000 2.423 126 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 126 S C 1.530 176.162 174.600 0.052 0.000 1.014 126 S CA 1.163 59.394 58.200 0.052 0.000 0.965 126 S CB -0.288 62.939 63.200 0.045 0.000 0.785 126 S HN 0.682 nan 8.310 nan 0.000 0.495 127 G N 0.680 109.513 108.800 0.055 0.000 2.179 127 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 127 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 127 G C 0.742 175.665 174.900 0.039 0.000 0.977 127 G CA 0.763 45.895 45.100 0.055 0.000 0.641 127 G HN 1.563 nan 8.290 nan 0.000 0.533 128 S N -0.932 114.788 115.700 0.033 0.000 2.701 128 S HA 0.377 4.847 4.470 -0.000 0.000 0.242 128 S C 0.575 175.186 174.600 0.018 0.000 1.025 128 S CA 0.842 59.055 58.200 0.021 0.000 1.016 128 S CB 0.460 63.673 63.200 0.022 0.000 0.977 128 S HN 0.570 nan 8.310 nan 0.000 0.546 129 T N 3.338 117.906 114.554 0.023 0.000 2.778 129 T HA 0.334 4.684 4.350 -0.000 0.000 0.282 129 T C 1.670 176.377 174.700 0.012 0.000 0.983 129 T CA 0.490 62.603 62.100 0.021 0.000 1.193 129 T CB 0.665 69.550 68.868 0.028 0.000 0.938 129 T HN 0.517 nan 8.240 nan 0.000 0.523 130 A N 4.521 127.346 122.820 0.010 0.000 1.884 130 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 130 A C 2.172 179.756 177.584 -0.000 0.000 1.197 130 A CA 1.983 54.022 52.037 0.003 0.000 0.637 130 A CB -0.604 18.399 19.000 0.006 0.000 0.827 130 A HN 0.821 nan 8.150 nan 0.000 0.450 131 E N -0.778 119.425 120.200 0.005 0.000 2.085 131 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 131 E C 2.100 178.694 176.600 -0.011 0.000 0.994 131 E CA 1.822 58.221 56.400 -0.001 0.000 0.801 131 E CB -0.549 29.156 29.700 0.008 0.000 0.743 131 E HN 0.634 nan 8.360 nan 0.000 0.453 132 T N 0.717 115.270 114.554 -0.002 0.000 2.821 132 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 132 T C 1.831 176.523 174.700 -0.014 0.000 1.046 132 T CA 0.689 62.787 62.100 -0.004 0.000 1.139 132 T CB -0.150 68.726 68.868 0.014 0.000 0.871 132 T HN 0.060 nan 8.240 nan 0.000 0.454 133 L N 0.703 121.916 121.223 -0.018 0.000 2.056 133 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 133 L C 3.061 179.907 176.870 -0.039 0.000 1.078 133 L CA 1.144 55.961 54.840 -0.038 0.000 0.749 133 L CB -0.674 41.363 42.059 -0.037 0.000 0.901 133 L HN 0.246 nan 8.230 nan 0.000 0.433 134 A N 0.358 123.163 122.820 -0.025 0.000 1.877 134 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 134 A C 2.392 179.969 177.584 -0.011 0.000 1.186 134 A CA 1.812 53.836 52.037 -0.022 0.000 0.620 134 A CB -1.283 17.707 19.000 -0.017 0.000 0.822 134 A HN 0.436 nan 8.150 nan 0.000 0.443 135 G N -0.389 108.408 108.800 -0.004 0.000 2.422 135 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.218 135 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.218 135 G C 1.481 176.440 174.900 0.099 0.000 1.146 135 G CA 1.182 46.305 45.100 0.037 0.000 0.769 135 G HN 0.478 nan 8.290 nan 0.000 0.547 136 L N 1.498 122.741 121.223 0.035 0.000 2.017 136 L HA 0.149 4.489 4.340 -0.000 0.000 0.208 136 L C 3.059 179.947 176.870 0.030 0.000 1.073 136 L CA 2.190 57.052 54.840 0.038 0.000 0.745 136 L CB -0.890 41.148 42.059 -0.036 0.000 0.894 136 L HN 0.229 nan 8.230 nan 0.000 0.432 137 A N -1.011 121.789 122.820 -0.032 0.000 1.917 137 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 137 A C 2.282 179.852 177.584 -0.023 0.000 1.182 137 A CA 2.294 54.295 52.037 -0.061 0.000 0.633 137 A CB -1.220 17.739 19.000 -0.068 0.000 0.819 137 A HN 0.342 nan 8.150 nan 0.000 0.448 138 V N -1.765 118.150 119.914 0.003 0.000 2.295 138 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 138 V C 2.269 178.338 176.094 -0.043 0.000 1.049 138 V CA 2.030 64.308 62.300 -0.038 0.000 1.024 138 V CB -0.872 30.910 31.823 -0.068 0.000 0.648 138 V HN 0.562 nan 8.190 nan 0.000 0.447 139 F N -0.615 119.333 119.950 -0.003 0.000 2.325 139 F HA -0.030 4.497 4.527 -0.000 0.000 0.299 139 F C 2.051 177.956 175.800 0.174 0.000 1.090 139 F CA 1.109 59.167 58.000 0.098 0.000 1.392 139 F CB -0.213 38.820 39.000 0.055 0.000 1.053 139 F HN 0.046 nan 8.300 nan 0.000 0.521 140 L N -0.120 121.209 121.223 0.175 0.000 2.005 140 L HA -0.250 4.090 4.340 -0.000 0.000 0.207 140 L C 2.590 179.415 176.870 -0.076 0.000 1.072 140 L CA 1.511 56.350 54.840 -0.001 0.000 0.744 140 L CB -0.562 41.414 42.059 -0.137 0.000 0.895 140 L HN 0.036 nan 8.230 nan 0.000 0.433 141 K N -0.578 119.793 120.400 -0.048 0.000 2.032 141 K HA -0.288 4.032 4.320 -0.000 0.000 0.209 141 K C 2.112 178.717 176.600 0.007 0.000 1.048 141 K CA 2.068 58.319 56.287 -0.060 0.000 0.927 141 K CB -0.378 32.096 32.500 -0.043 0.000 0.712 141 K HN 0.279 nan 8.250 nan 0.000 0.441 142 W N 1.663 122.890 121.300 -0.122 0.000 2.333 142 W HA -0.204 4.456 4.660 -0.000 0.000 0.316 142 W C 1.625 178.177 176.519 0.054 0.000 1.215 142 W CA 1.602 58.916 57.345 -0.053 0.000 1.278 142 W CB -0.520 28.833 29.460 -0.178 0.000 1.154 142 W HN 0.032 nan 8.180 nan 0.000 0.486 143 L N 0.596 121.878 121.223 0.097 0.000 1.989 143 L HA -0.278 4.062 4.340 -0.000 0.000 0.211 143 L C 2.581 179.388 176.870 -0.105 0.000 1.071 143 L CA 2.033 56.835 54.840 -0.065 0.000 0.749 143 L CB -0.986 41.181 42.059 0.181 0.000 0.890 143 L HN -0.054 nan 8.230 nan 0.000 0.431 144 K N -0.099 120.206 120.400 -0.158 0.000 2.097 144 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 144 K C 2.195 178.704 176.600 -0.152 0.000 1.049 144 K CA 1.321 57.498 56.287 -0.183 0.000 0.933 144 K CB -0.284 32.010 32.500 -0.343 0.000 0.717 144 K HN 0.301 nan 8.250 nan 0.000 0.442 145 A N 1.208 123.902 122.820 -0.211 0.000 1.933 145 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 145 A C 1.720 179.053 177.584 -0.419 0.000 1.175 145 A CA 1.333 53.186 52.037 -0.307 0.000 0.628 145 A CB -0.462 18.318 19.000 -0.368 0.000 0.814 145 A HN 0.292 nan 8.150 nan 0.000 0.444 146 H N -1.341 117.551 119.070 -0.297 0.000 2.516 146 H HA 0.251 4.807 4.556 -0.000 0.000 0.284 146 H C 1.392 176.565 175.328 -0.258 0.000 0.999 146 H CA 1.001 56.855 56.048 -0.324 0.000 1.303 146 H CB 0.232 29.663 29.762 -0.553 0.000 1.452 146 H HN 0.422 nan 8.280 nan 0.000 0.530 147 L N -0.502 120.646 121.223 -0.124 0.000 2.693 147 L HA 0.271 4.611 4.340 -0.000 0.000 0.235 147 L C 1.410 178.275 176.870 -0.009 0.000 1.127 147 L CA 0.264 55.041 54.840 -0.104 0.000 0.914 147 L CB 0.453 42.405 42.059 -0.179 0.000 1.193 147 L HN 0.250 nan 8.230 nan 0.000 0.502 148 G N 1.212 110.018 108.800 0.011 0.000 2.566 148 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.280 148 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.280 148 G C 0.663 175.692 174.900 0.215 0.000 1.225 148 G CA 0.308 45.446 45.100 0.063 0.000 0.966 148 G HN 0.260 nan 8.290 nan 0.000 0.560 149 E N 1.334 121.630 120.200 0.159 0.000 2.478 149 E HA -0.000 4.350 4.350 -0.000 0.000 0.198 149 E C 1.462 178.063 176.600 0.001 0.000 1.046 149 E CA 0.880 57.378 56.400 0.163 0.000 0.870 149 E CB -0.136 29.601 29.700 0.062 0.000 0.818 149 E HN 0.517 nan 8.360 nan 0.000 0.527 150 D N 0.342 120.758 120.400 0.026 0.000 2.324 150 D HA -0.071 4.569 4.640 -0.000 0.000 0.235 150 D C 1.656 177.981 176.300 0.042 0.000 1.095 150 D CA -0.036 53.946 54.000 -0.029 0.000 0.871 150 D CB -0.299 40.485 40.800 -0.027 0.000 0.906 150 D HN 0.466 nan 8.370 nan 0.000 0.522 151 W N 1.359 122.673 121.300 0.022 0.000 2.388 151 W HA -0.075 4.585 4.660 -0.000 0.000 0.294 151 W C 1.412 178.033 176.519 0.169 0.000 1.212 151 W CA 0.013 57.396 57.345 0.062 0.000 1.271 151 W CB -0.835 28.647 29.460 0.037 0.000 1.126 151 W HN -0.085 nan 8.180 nan 0.000 0.535 152 R N 0.918 120.924 120.500 -0.823 0.000 2.117 152 R HA -0.190 4.150 4.340 -0.000 0.000 0.243 152 R C 2.471 178.675 176.300 -0.159 0.000 1.143 152 R CA 2.161 57.788 56.100 -0.788 0.000 0.968 152 R CB -0.685 29.026 30.300 -0.981 0.000 0.863 152 R HN 0.185 nan 8.270 nan 0.000 0.444 153 R N 0.363 120.829 120.500 -0.056 0.000 2.237 153 R HA -0.093 4.247 4.340 -0.000 0.000 0.219 153 R C 0.985 177.347 176.300 0.104 0.000 1.080 153 R CA 1.069 57.181 56.100 0.021 0.000 0.995 153 R CB 0.066 30.315 30.300 -0.085 0.000 0.875 153 R HN 0.440 nan 8.270 nan 0.000 0.462 154 H N -0.790 118.402 119.070 0.203 0.000 2.529 154 H HA 0.093 4.649 4.556 -0.000 0.000 0.277 154 H C -0.623 174.883 175.328 0.296 0.000 1.004 154 H CA -0.001 56.243 56.048 0.328 0.000 1.167 154 H CB 0.613 30.536 29.762 0.269 0.000 1.445 154 H HN 0.034 nan 8.280 nan 0.000 0.554 155 L N 1.153 122.587 121.223 0.352 0.000 2.404 155 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 155 L C -1.282 175.725 176.870 0.228 0.000 0.980 155 L CA -0.784 54.241 54.840 0.309 0.000 0.836 155 L CB 2.052 44.392 42.059 0.469 0.000 1.238 155 L HN -0.165 nan 8.230 nan 0.000 0.408 156 V N 6.227 126.247 119.914 0.177 0.000 2.604 156 V HA 0.769 4.889 4.120 -0.000 0.000 0.305 156 V C -1.094 175.092 176.094 0.153 0.000 1.043 156 V CA -0.376 62.016 62.300 0.153 0.000 0.888 156 V CB 2.300 34.247 31.823 0.206 0.000 0.995 156 V HN 0.562 nan 8.190 nan 0.000 0.429 157 V N 4.964 124.963 119.914 0.141 0.000 2.581 157 V HA 0.620 4.740 4.120 -0.000 0.000 0.303 157 V C 0.060 176.263 176.094 0.182 0.000 1.041 157 V CA -0.351 62.043 62.300 0.156 0.000 0.907 157 V CB 2.263 34.180 31.823 0.156 0.000 0.994 157 V HN 0.974 nan 8.190 nan 0.000 0.442 158 T N 2.956 117.621 114.554 0.185 0.000 2.892 158 T HA 0.629 4.979 4.350 -0.000 0.000 0.311 158 T C -0.335 174.456 174.700 0.151 0.000 1.033 158 T CA -0.284 61.939 62.100 0.205 0.000 0.991 158 T CB 1.250 70.247 68.868 0.215 0.000 0.981 158 T HN 0.897 nan 8.240 nan 0.000 0.457 159 T N 1.712 116.346 114.554 0.133 0.000 2.661 159 T HA 0.345 4.695 4.350 -0.000 0.000 0.305 159 T C -1.533 173.222 174.700 0.092 0.000 1.441 159 T CA -0.681 61.483 62.100 0.107 0.000 0.999 159 T CB 1.419 70.346 68.868 0.099 0.000 1.650 159 T HN 0.590 nan 8.240 nan 0.000 0.489 160 D N 1.666 122.112 120.400 0.078 0.000 2.506 160 D HA 0.146 4.786 4.640 -0.000 0.000 0.234 160 D C -1.034 175.299 176.300 0.056 0.000 1.143 160 D CA -0.984 53.055 54.000 0.064 0.000 0.871 160 D CB 1.153 41.986 40.800 0.055 0.000 1.190 160 D HN 0.194 nan 8.370 nan 0.000 0.459 161 P HA -0.136 nan 4.420 nan 0.000 0.222 161 P C 0.188 177.503 177.300 0.026 0.000 1.147 161 P CA 1.503 64.623 63.100 0.033 0.000 0.790 161 P CB 0.367 32.084 31.700 0.029 0.000 0.780 162 K N -1.702 118.715 120.400 0.029 0.000 2.556 162 K HA 0.182 4.502 4.320 -0.000 0.000 0.201 162 K C 0.833 177.452 176.600 0.032 0.000 1.423 162 K CA 0.098 56.400 56.287 0.026 0.000 1.010 162 K CB 0.665 33.177 32.500 0.019 0.000 1.409 162 K HN 0.079 nan 8.250 nan 0.000 0.538 163 E N 0.397 120.619 120.200 0.035 0.000 2.250 163 E HA 0.525 4.875 4.350 -0.000 0.000 0.269 163 E C -0.304 176.324 176.600 0.047 0.000 1.018 163 E CA -0.401 56.022 56.400 0.038 0.000 0.873 163 E CB 1.474 31.194 29.700 0.034 0.000 1.134 163 E HN 0.257 nan 8.360 nan 0.000 0.403 164 G N 2.198 111.027 108.800 0.048 0.000 2.650 164 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 164 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 164 G C -2.143 172.796 174.900 0.066 0.000 1.205 164 G CA -0.709 44.423 45.100 0.053 0.000 0.781 164 G HN 0.409 nan 8.290 nan 0.000 0.648 165 P HA -0.052 nan 4.420 nan 0.000 0.220 165 P C 2.110 179.485 177.300 0.124 0.000 1.148 165 P CA 0.943 64.092 63.100 0.081 0.000 0.803 165 P CB 0.218 31.947 31.700 0.048 0.000 0.782 166 L N -0.719 120.571 121.223 0.112 0.000 2.072 166 L HA -0.088 4.252 4.340 -0.000 0.000 0.205 166 L C 3.014 179.996 176.870 0.185 0.000 1.079 166 L CA 1.108 56.043 54.840 0.159 0.000 0.752 166 L CB -0.648 41.482 42.059 0.119 0.000 0.906 166 L HN -0.058 nan 8.230 nan 0.000 0.436 167 R N 0.991 121.566 120.500 0.124 0.000 2.083 167 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 167 R C 2.176 178.535 176.300 0.098 0.000 1.137 167 R CA 1.968 58.124 56.100 0.094 0.000 0.951 167 R CB -0.815 29.525 30.300 0.066 0.000 0.851 167 R HN 0.297 nan 8.270 nan 0.000 0.434 168 A N -0.423 122.464 122.820 0.111 0.000 1.902 168 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 168 A C 2.204 179.875 177.584 0.144 0.000 1.181 168 A CA 1.499 53.600 52.037 0.107 0.000 0.623 168 A CB -0.890 18.174 19.000 0.106 0.000 0.818 168 A HN 0.494 nan 8.150 nan 0.000 0.443 169 F N 0.920 120.904 119.950 0.056 0.000 2.146 169 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 169 F C 2.508 178.360 175.800 0.086 0.000 1.096 169 F CA 0.980 59.028 58.000 0.080 0.000 1.275 169 F CB -0.493 38.562 39.000 0.092 0.000 1.008 169 F HN 0.246 nan 8.300 nan 0.000 0.480 170 A N 0.229 123.098 122.820 0.082 0.000 1.902 170 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 170 A C 2.126 179.651 177.584 -0.097 0.000 1.181 170 A CA 1.922 53.942 52.037 -0.028 0.000 0.623 170 A CB -0.868 18.158 19.000 0.043 0.000 0.818 170 A HN 0.564 nan 8.150 nan 0.000 0.443 171 E N -0.812 119.358 120.200 -0.050 0.000 2.072 171 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 171 E C 2.286 178.837 176.600 -0.081 0.000 0.985 171 E CA 1.132 57.499 56.400 -0.055 0.000 0.801 171 E CB -0.225 29.464 29.700 -0.019 0.000 0.750 171 E HN 0.645 nan 8.360 nan 0.000 0.452 172 R N 1.012 121.457 120.500 -0.092 0.000 2.096 172 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 172 R C 1.495 177.701 176.300 -0.157 0.000 1.127 172 R CA 1.215 57.256 56.100 -0.099 0.000 0.968 172 R CB 0.217 30.478 30.300 -0.064 0.000 0.861 172 R HN -0.001 nan 8.270 nan 0.000 0.440 173 E N -0.716 119.316 120.200 -0.280 0.000 2.474 173 E HA 0.097 4.447 4.350 -0.000 0.000 0.195 173 E C 0.456 176.906 176.600 -0.250 0.000 1.039 173 E CA 0.644 56.872 56.400 -0.286 0.000 0.881 173 E CB 0.980 30.419 29.700 -0.435 0.000 0.970 173 E HN 0.582 nan 8.360 nan 0.000 0.486 174 G N 1.972 110.659 108.800 -0.188 0.000 2.246 174 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.273 174 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.273 174 G C 0.155 174.959 174.900 -0.159 0.000 1.055 174 G CA 0.295 45.305 45.100 -0.151 0.000 0.851 174 G HN 0.186 nan 8.290 nan 0.000 0.500 175 L N -0.773 120.356 121.223 -0.157 0.000 2.375 175 L HA 0.513 4.852 4.340 -0.000 0.000 0.271 175 L C 0.911 177.721 176.870 -0.099 0.000 1.107 175 L CA -1.189 53.583 54.840 -0.112 0.000 0.806 175 L CB 0.953 42.979 42.059 -0.055 0.000 1.146 175 L HN 0.102 nan 8.230 nan 0.000 0.447 176 K N 2.219 122.563 120.400 -0.094 0.000 2.412 176 K HA 0.486 4.806 4.320 -0.000 0.000 0.281 176 K C -0.794 175.653 176.600 -0.256 0.000 1.027 176 K CA 0.193 56.347 56.287 -0.222 0.000 0.989 176 K CB 0.818 33.146 32.500 -0.287 0.000 0.935 176 K HN 0.660 nan 8.250 nan 0.000 0.475 177 A N 4.163 126.755 122.820 -0.382 0.000 2.449 177 A HA 0.741 5.061 4.320 -0.000 0.000 0.302 177 A C -1.575 175.710 177.584 -0.498 0.000 1.048 177 A CA -0.732 51.140 52.037 -0.275 0.000 0.708 177 A CB 0.620 19.555 19.000 -0.109 0.000 1.274 177 A HN 0.545 nan 8.150 nan 0.000 0.410 178 F N 0.541 120.478 119.950 -0.022 0.000 2.538 178 F HA 0.733 5.260 4.527 -0.000 0.000 0.325 178 F C 0.702 176.518 175.800 0.026 0.000 1.066 178 F CA -0.208 57.791 58.000 -0.002 0.000 0.946 178 F CB 2.356 41.364 39.000 0.014 0.000 1.199 178 F HN 0.754 nan 8.300 nan 0.000 0.473 179 A N 2.582 125.535 122.820 0.221 0.000 2.324 179 A HA 0.786 5.106 4.320 -0.000 0.000 0.330 179 A C -0.838 176.829 177.584 0.138 0.000 1.165 179 A CA -0.595 51.526 52.037 0.140 0.000 0.813 179 A CB 0.514 19.567 19.000 0.087 0.000 1.197 179 A HN 0.697 nan 8.150 nan 0.000 0.484 180 I N 3.129 123.767 120.570 0.114 0.000 2.328 180 I HA 0.247 4.417 4.170 -0.000 0.000 0.287 180 I C -2.243 173.924 176.117 0.084 0.000 1.012 180 I CA -2.022 59.342 61.300 0.107 0.000 1.195 180 I CB 1.711 39.776 38.000 0.109 0.000 1.350 180 I HN 0.411 nan 8.210 nan 0.000 0.464 181 P HA -0.070 nan 4.420 nan 0.000 0.263 181 P C 0.694 178.018 177.300 0.040 0.000 1.175 181 P CA 0.099 63.227 63.100 0.047 0.000 0.761 181 P CB 0.670 32.391 31.700 0.035 0.000 0.794 182 K N 3.080 123.494 120.400 0.024 0.000 2.089 182 K HA -0.226 4.094 4.320 -0.000 0.000 0.210 182 K C 0.902 177.506 176.600 0.007 0.000 1.048 182 K CA 1.511 57.809 56.287 0.018 0.000 0.926 182 K CB -0.001 32.502 32.500 0.006 0.000 0.714 182 K HN 0.408 nan 8.250 nan 0.000 0.448 183 E N 0.605 120.793 120.200 -0.021 0.000 2.463 183 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 183 E C -0.648 175.926 176.600 -0.042 0.000 1.083 183 E CA 0.155 56.518 56.400 -0.061 0.000 0.872 183 E CB 0.537 30.165 29.700 -0.119 0.000 0.966 183 E HN 0.028 nan 8.360 nan 0.000 0.491 184 V N 0.904 120.839 119.914 0.036 0.000 2.350 184 V HA 0.386 4.506 4.120 -0.000 0.000 0.285 184 V C 0.646 176.839 176.094 0.164 0.000 1.014 184 V CA -0.857 61.517 62.300 0.124 0.000 0.831 184 V CB 1.479 33.385 31.823 0.139 0.000 1.000 184 V HN 0.114 nan 8.190 nan 0.000 0.433 185 G N 3.022 111.961 108.800 0.231 0.000 2.467 185 G HA2 0.418 4.378 3.960 -0.000 0.000 0.257 185 G HA3 0.418 4.378 3.960 -0.000 0.000 0.257 185 G C 1.147 176.195 174.900 0.246 0.000 1.227 185 G CA 0.213 45.461 45.100 0.246 0.000 0.835 185 G HN 0.925 nan 8.290 nan 0.000 0.556 186 G N 0.878 109.777 108.800 0.165 0.000 2.505 186 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.220 186 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.220 186 G C 1.722 176.679 174.900 0.096 0.000 1.145 186 G CA 1.083 46.258 45.100 0.124 0.000 0.761 186 G HN 0.644 nan 8.290 nan 0.000 0.571 187 R N -0.613 119.915 120.500 0.046 0.000 2.127 187 R HA -0.003 4.337 4.340 -0.000 0.000 0.238 187 R C 1.065 177.160 176.300 -0.342 0.000 1.134 187 R CA 1.037 57.023 56.100 -0.190 0.000 0.975 187 R CB -0.250 29.877 30.300 -0.288 0.000 0.865 187 R HN 0.433 nan 8.270 nan 0.000 0.447 188 F N -0.615 119.327 119.950 -0.014 0.000 2.708 188 F HA 0.172 4.699 4.527 -0.000 0.000 0.300 188 F C 1.312 177.188 175.800 0.126 0.000 1.118 188 F CA -0.278 57.707 58.000 -0.026 0.000 1.307 188 F CB 1.061 39.922 39.000 -0.231 0.000 0.986 188 F HN 0.024 nan 8.300 nan 0.000 0.522 189 S N -0.848 115.003 115.700 0.253 0.000 2.556 189 S HA 0.232 4.702 4.470 -0.000 0.000 0.216 189 S C 2.064 176.769 174.600 0.173 0.000 0.970 189 S CA 0.357 58.685 58.200 0.214 0.000 0.912 189 S CB 0.005 63.309 63.200 0.174 0.000 0.790 189 S HN 0.197 nan 8.310 nan 0.000 0.504 190 A N 2.495 125.427 122.820 0.187 0.000 1.927 190 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 190 A C 1.970 179.587 177.584 0.055 0.000 1.185 190 A CA 1.520 53.615 52.037 0.098 0.000 0.639 190 A CB -0.825 18.187 19.000 0.019 0.000 0.820 190 A HN 0.627 nan 8.150 nan 0.000 0.451 191 L N 0.406 121.684 121.223 0.091 0.000 2.612 191 L HA 0.071 4.411 4.340 -0.000 0.000 0.230 191 L C 1.336 178.249 176.870 0.072 0.000 1.140 191 L CA 0.206 55.088 54.840 0.070 0.000 0.896 191 L CB -0.526 41.589 42.059 0.094 0.000 1.065 191 L HN 0.540 nan 8.230 nan 0.000 0.447 192 S N -1.046 114.705 115.700 0.086 0.000 2.666 192 S HA 0.361 4.831 4.470 -0.000 0.000 0.279 192 S C -1.805 172.824 174.600 0.047 0.000 1.149 192 S CA -1.129 57.119 58.200 0.079 0.000 1.020 192 S CB 0.770 64.034 63.200 0.107 0.000 1.127 192 S HN -0.194 nan 8.310 nan 0.000 0.537 193 P HA -0.043 nan 4.420 nan 0.000 0.223 193 P C 1.472 178.779 177.300 0.011 0.000 1.144 193 P CA 0.560 63.642 63.100 -0.030 0.000 0.783 193 P CB -0.224 31.472 31.700 -0.007 0.000 0.771 194 V N -0.237 119.719 119.914 0.070 0.000 2.282 194 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 194 V C 2.429 178.566 176.094 0.071 0.000 1.057 194 V CA 2.680 65.038 62.300 0.097 0.000 1.032 194 V CB -1.616 30.273 31.823 0.110 0.000 0.645 194 V HN 0.223 nan 8.190 nan 0.000 0.447 195 G N -1.455 107.367 108.800 0.036 0.000 2.545 195 G HA2 0.013 3.973 3.960 -0.000 0.000 0.212 195 G HA3 0.013 3.973 3.960 -0.000 0.000 0.212 195 G C 1.494 176.375 174.900 -0.032 0.000 1.144 195 G CA 0.166 45.264 45.100 -0.003 0.000 0.813 195 G HN 0.432 nan 8.290 nan 0.000 0.531 196 L N -0.058 121.143 121.223 -0.037 0.000 2.046 196 L HA -0.008 4.332 4.340 -0.000 0.000 0.208 196 L C 2.651 179.466 176.870 -0.091 0.000 1.077 196 L CA 0.495 55.294 54.840 -0.068 0.000 0.747 196 L CB -0.462 41.551 42.059 -0.076 0.000 0.896 196 L HN 0.209 nan 8.230 nan 0.000 0.432 197 L N 1.114 122.277 121.223 -0.101 0.000 1.976 197 L HA -0.092 4.248 4.340 -0.000 0.000 0.209 197 L C -0.357 176.562 176.870 0.081 0.000 1.071 197 L CA 2.145 56.968 54.840 -0.027 0.000 0.746 197 L CB -1.598 40.465 42.059 0.007 0.000 0.890 197 L HN 0.067 nan 8.230 nan 0.000 0.432 198 P HA -0.180 nan 4.420 nan 0.000 0.218 198 P C 2.222 179.399 177.300 -0.205 0.000 1.149 198 P CA 1.552 64.417 63.100 -0.392 0.000 0.817 198 P CB -0.063 31.399 31.700 -0.396 0.000 0.785 199 L N -0.709 120.423 121.223 -0.152 0.000 2.131 199 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 199 L C 2.689 179.525 176.870 -0.057 0.000 1.092 199 L CA 1.338 56.109 54.840 -0.116 0.000 0.759 199 L CB -0.915 41.099 42.059 -0.074 0.000 0.903 199 L HN -0.035 nan 8.230 nan 0.000 0.435 200 A N -0.291 122.496 122.820 -0.056 0.000 1.898 200 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 200 A C 1.946 179.445 177.584 -0.143 0.000 1.181 200 A CA 1.352 53.319 52.037 -0.117 0.000 0.620 200 A CB -0.706 18.191 19.000 -0.172 0.000 0.819 200 A HN 0.316 nan 8.150 nan 0.000 0.442 201 F N -0.030 119.901 119.950 -0.030 0.000 2.407 201 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 201 F C 2.525 178.391 175.800 0.111 0.000 1.097 201 F CA 0.839 58.845 58.000 0.010 0.000 1.422 201 F CB -0.058 38.924 39.000 -0.031 0.000 1.067 201 F HN 0.249 nan 8.300 nan 0.000 0.539 202 A N -0.303 122.688 122.820 0.285 0.000 2.206 202 A HA 0.338 4.658 4.320 -0.000 0.000 0.211 202 A C 1.990 179.630 177.584 0.094 0.000 1.158 202 A CA 0.795 52.954 52.037 0.203 0.000 0.761 202 A CB -1.209 17.742 19.000 -0.082 0.000 0.801 202 A HN 0.540 nan 8.150 nan 0.000 0.473 203 G N -1.540 107.284 108.800 0.039 0.000 2.198 203 G HA2 0.061 4.021 3.960 -0.000 0.000 0.260 203 G HA3 0.061 4.021 3.960 -0.000 0.000 0.260 203 G C 0.396 175.293 174.900 -0.006 0.000 1.025 203 G CA 0.546 45.646 45.100 -0.001 0.000 0.769 203 G HN 1.514 nan 8.290 nan 0.000 0.507 204 A N -0.544 122.269 122.820 -0.012 0.000 2.287 204 A HA 0.583 4.903 4.320 -0.000 0.000 0.273 204 A C 0.523 178.056 177.584 -0.085 0.000 1.091 204 A CA 0.176 52.193 52.037 -0.033 0.000 0.817 204 A CB 0.520 19.518 19.000 -0.004 0.000 1.069 204 A HN 0.358 nan 8.150 nan 0.000 0.492 205 D N 1.582 121.901 120.400 -0.136 0.000 2.455 205 D HA 0.185 4.825 4.640 -0.000 0.000 0.234 205 D C 1.075 177.300 176.300 -0.126 0.000 1.224 205 D CA 0.075 54.002 54.000 -0.122 0.000 0.999 205 D CB -0.155 40.566 40.800 -0.131 0.000 1.072 205 D HN 0.447 nan 8.370 nan 0.000 0.514 206 L N 2.062 123.231 121.223 -0.089 0.000 2.131 206 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 206 L C 1.758 178.599 176.870 -0.048 0.000 1.092 206 L CA 0.783 55.581 54.840 -0.071 0.000 0.759 206 L CB -0.163 41.862 42.059 -0.057 0.000 0.903 206 L HN 0.283 nan 8.230 nan 0.000 0.435 207 D N 0.607 120.983 120.400 -0.040 0.000 2.097 207 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 207 D C 2.261 178.562 176.300 0.001 0.000 0.989 207 D CA 1.604 55.593 54.000 -0.017 0.000 0.827 207 D CB 0.079 40.868 40.800 -0.018 0.000 0.966 207 D HN 0.334 nan 8.370 nan 0.000 0.456 208 A N 1.098 123.911 122.820 -0.012 0.000 1.902 208 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 208 A C 2.216 179.837 177.584 0.062 0.000 1.181 208 A CA 0.907 52.969 52.037 0.041 0.000 0.623 208 A CB -0.733 18.260 19.000 -0.011 0.000 0.818 208 A HN 0.200 nan 8.150 nan 0.000 0.443 209 L N -0.035 121.166 121.223 -0.038 0.000 1.989 209 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 209 L C 2.319 179.189 176.870 0.000 0.000 1.071 209 L CA 1.881 56.693 54.840 -0.047 0.000 0.749 209 L CB -0.397 41.614 42.059 -0.081 0.000 0.890 209 L HN 0.418 nan 8.230 nan 0.000 0.431 210 L N -1.594 119.634 121.223 0.009 0.000 2.141 210 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 210 L C 2.549 179.436 176.870 0.028 0.000 1.094 210 L CA 1.285 56.138 54.840 0.022 0.000 0.763 210 L CB -0.519 41.553 42.059 0.021 0.000 0.908 210 L HN 0.391 nan 8.230 nan 0.000 0.437 211 M N -0.266 119.372 119.600 0.064 0.000 2.086 211 M HA -0.138 4.342 4.480 -0.000 0.000 0.261 211 M C 2.345 178.671 176.300 0.042 0.000 1.067 211 M CA 2.011 57.379 55.300 0.114 0.000 1.116 211 M CB -0.853 31.883 32.600 0.228 0.000 1.348 211 M HN 0.327 nan 8.290 nan 0.000 0.407 212 G N -0.119 108.643 108.800 -0.063 0.000 2.440 212 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 212 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 212 G C 1.606 176.338 174.900 -0.281 0.000 1.154 212 G CA 1.027 45.834 45.100 -0.488 0.000 0.767 212 G HN 0.552 nan 8.290 nan 0.000 0.552 213 A N 0.586 123.359 122.820 -0.079 0.000 1.933 213 A HA 0.005 4.325 4.320 -0.000 0.000 0.218 213 A C 2.433 180.010 177.584 -0.012 0.000 1.175 213 A CA 1.510 53.559 52.037 0.020 0.000 0.628 213 A CB -0.348 18.704 19.000 0.088 0.000 0.814 213 A HN 0.356 nan 8.150 nan 0.000 0.444 214 R N -0.830 119.639 120.500 -0.051 0.000 2.115 214 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 214 R C 2.201 178.403 176.300 -0.162 0.000 1.111 214 R CA 1.473 57.543 56.100 -0.050 0.000 0.976 214 R CB -0.171 30.113 30.300 -0.027 0.000 0.870 214 R HN 0.426 nan 8.270 nan 0.000 0.445 215 K N 1.175 121.368 120.400 -0.346 0.000 2.097 215 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 215 K C 1.824 178.010 176.600 -0.691 0.000 1.050 215 K CA 1.578 57.495 56.287 -0.616 0.000 0.938 215 K CB -0.288 31.564 32.500 -1.080 0.000 0.718 215 K HN 0.112 nan 8.250 nan 0.000 0.442 216 A N 0.938 123.372 122.820 -0.643 0.000 1.902 216 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 216 A C 1.909 179.428 177.584 -0.109 0.000 1.181 216 A CA 1.888 53.796 52.037 -0.214 0.000 0.623 216 A CB -0.794 18.320 19.000 0.191 0.000 0.818 216 A HN 0.421 nan 8.150 nan 0.000 0.443 217 N N 0.162 118.845 118.700 -0.029 0.000 2.104 217 N HA -0.138 4.601 4.740 -0.000 0.000 0.190 217 N C 1.641 177.029 175.510 -0.202 0.000 1.024 217 N CA 1.437 54.472 53.050 -0.025 0.000 0.853 217 N CB -0.315 38.252 38.487 0.133 0.000 1.008 217 N HN 0.493 nan 8.380 nan 0.000 0.424 218 E N -0.132 119.969 120.200 -0.164 0.000 2.051 218 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 218 E C 1.999 178.517 176.600 -0.136 0.000 0.991 218 E CA 1.634 57.950 56.400 -0.140 0.000 0.799 218 E CB -0.674 28.949 29.700 -0.129 0.000 0.748 218 E HN 0.622 nan 8.360 nan 0.000 0.449 219 T N -0.741 113.742 114.554 -0.118 0.000 2.881 219 T HA 0.007 4.357 4.350 -0.000 0.000 0.270 219 T C 2.041 176.678 174.700 -0.105 0.000 1.068 219 T CA 1.263 63.350 62.100 -0.020 0.000 1.131 219 T CB -0.139 68.831 68.868 0.169 0.000 0.871 219 T HN 0.130 nan 8.240 nan 0.000 0.479 220 A N 1.284 123.897 122.820 -0.345 0.000 2.015 220 A HA 0.329 4.649 4.320 -0.000 0.000 0.219 220 A C 2.175 179.566 177.584 -0.321 0.000 1.163 220 A CA 0.870 52.578 52.037 -0.547 0.000 0.646 220 A CB -0.533 17.329 19.000 -1.896 0.000 0.806 220 A HN 0.595 nan 8.150 nan 0.000 0.448 221 L N -1.051 120.014 121.223 -0.264 0.000 2.693 221 L HA 0.333 4.673 4.340 -0.000 0.000 0.235 221 L C 1.088 177.912 176.870 -0.076 0.000 1.127 221 L CA -0.151 54.610 54.840 -0.133 0.000 0.914 221 L CB -0.080 41.913 42.059 -0.110 0.000 1.193 221 L HN 0.326 nan 8.230 nan 0.000 0.502 222 A N 0.465 123.243 122.820 -0.069 0.000 2.272 222 A HA 0.538 4.858 4.320 -0.000 0.000 0.275 222 A C -2.247 175.322 177.584 -0.025 0.000 1.096 222 A CA -1.115 50.902 52.037 -0.033 0.000 0.822 222 A CB -0.279 18.715 19.000 -0.011 0.000 1.088 222 A HN -0.066 nan 8.150 nan 0.000 0.495 223 P HA 0.033 nan 4.420 nan 0.000 0.266 223 P C 1.069 178.363 177.300 -0.011 0.000 1.195 223 P CA -0.291 62.801 63.100 -0.014 0.000 0.768 223 P CB 0.366 32.064 31.700 -0.004 0.000 0.838 224 L N 3.604 124.812 121.223 -0.025 0.000 2.030 224 L HA -0.283 4.057 4.340 -0.000 0.000 0.222 224 L C 1.979 178.851 176.870 0.004 0.000 1.082 224 L CA 2.156 56.980 54.840 -0.026 0.000 0.785 224 L CB -1.101 40.935 42.059 -0.038 0.000 0.895 224 L HN 0.382 nan 8.230 nan 0.000 0.439 225 E N -0.566 119.639 120.200 0.008 0.000 2.331 225 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 225 E C 1.551 178.185 176.600 0.057 0.000 1.008 225 E CA 1.175 57.592 56.400 0.027 0.000 0.843 225 E CB 0.022 29.733 29.700 0.019 0.000 0.761 225 E HN 0.624 nan 8.360 nan 0.000 0.507 226 E N -1.382 118.852 120.200 0.056 0.000 2.562 226 E HA 0.186 4.535 4.350 -0.000 0.000 0.214 226 E C -0.484 176.178 176.600 0.102 0.000 0.979 226 E CA -0.007 56.444 56.400 0.084 0.000 1.002 226 E CB 0.892 30.633 29.700 0.069 0.000 1.048 226 E HN -0.093 nan 8.360 nan 0.000 0.488 227 S N 1.250 116.999 115.700 0.081 0.000 3.729 227 S HA 0.187 4.657 4.470 -0.000 0.000 0.235 227 S C 1.159 175.854 174.600 0.158 0.000 1.367 227 S CA -0.205 58.047 58.200 0.087 0.000 0.907 227 S CB -0.476 62.732 63.200 0.013 0.000 1.471 227 S HN 0.249 nan 8.310 nan 0.000 0.476 228 L N 3.939 125.308 121.223 0.243 0.000 2.021 228 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 228 L C -0.727 176.380 176.870 0.395 0.000 1.074 228 L CA 1.498 56.548 54.840 0.351 0.000 0.760 228 L CB -1.877 40.449 42.059 0.445 0.000 0.889 228 L HN 0.400 nan 8.230 nan 0.000 0.433 229 P HA -0.179 nan 4.420 nan 0.000 0.216 229 P C 1.976 179.419 177.300 0.239 0.000 1.150 229 P CA 1.394 64.491 63.100 -0.004 0.000 0.837 229 P CB 0.073 31.831 31.700 0.096 0.000 0.786 230 L N -1.010 120.325 121.223 0.187 0.000 2.156 230 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 230 L C 2.291 179.219 176.870 0.097 0.000 1.095 230 L CA 1.427 56.276 54.840 0.015 0.000 0.770 230 L CB -0.534 41.411 42.059 -0.191 0.000 0.914 230 L HN -0.039 nan 8.230 nan 0.000 0.439 231 K N -0.332 120.173 120.400 0.174 0.000 2.026 231 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 231 K C 2.116 178.843 176.600 0.212 0.000 1.048 231 K CA 1.998 58.463 56.287 0.296 0.000 0.929 231 K CB -0.345 32.359 32.500 0.341 0.000 0.713 231 K HN 0.426 nan 8.250 nan 0.000 0.439 232 T N -0.872 113.763 114.554 0.135 0.000 2.904 232 T HA 0.018 4.367 4.350 -0.000 0.000 0.267 232 T C 2.121 176.863 174.700 0.070 0.000 1.059 232 T CA 0.863 62.978 62.100 0.024 0.000 1.137 232 T CB -0.168 68.824 68.868 0.207 0.000 0.879 232 T HN 0.150 nan 8.240 nan 0.000 0.467 233 A N 1.671 124.567 122.820 0.126 0.000 1.902 233 A HA 0.099 4.419 4.320 -0.000 0.000 0.217 233 A C 2.308 179.953 177.584 0.102 0.000 1.181 233 A CA 1.588 53.686 52.037 0.100 0.000 0.623 233 A CB -0.962 18.123 19.000 0.142 0.000 0.818 233 A HN 0.472 nan 8.150 nan 0.000 0.443 234 L N -0.225 121.077 121.223 0.131 0.000 2.046 234 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 234 L C 2.310 179.318 176.870 0.229 0.000 1.077 234 L CA 1.626 56.574 54.840 0.181 0.000 0.747 234 L CB -0.529 41.649 42.059 0.198 0.000 0.896 234 L HN 0.414 nan 8.230 nan 0.000 0.432 235 L N -1.416 119.903 121.223 0.159 0.000 2.013 235 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 235 L C 2.456 179.469 176.870 0.238 0.000 1.073 235 L CA 1.228 56.120 54.840 0.087 0.000 0.753 235 L CB -0.594 41.235 42.059 -0.382 0.000 0.890 235 L HN 0.294 nan 8.230 nan 0.000 0.432 236 L N -1.162 120.152 121.223 0.152 0.000 2.093 236 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 236 L C 2.535 179.649 176.870 0.407 0.000 1.085 236 L CA 1.625 56.585 54.840 0.199 0.000 0.755 236 L CB -0.844 41.267 42.059 0.086 0.000 0.904 236 L HN 0.249 nan 8.230 nan 0.000 0.435 237 H N -0.411 118.828 119.070 0.282 0.000 2.321 237 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 237 H C 2.048 177.545 175.328 0.283 0.000 1.087 237 H CA 1.667 57.956 56.048 0.402 0.000 1.319 237 H CB -0.135 29.772 29.762 0.242 0.000 1.379 237 H HN 0.206 nan 8.280 nan 0.000 0.501 238 L N -0.635 120.652 121.223 0.106 0.000 2.353 238 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 238 L C 0.995 177.799 176.870 -0.110 0.000 1.133 238 L CA 1.196 55.977 54.840 -0.098 0.000 0.798 238 L CB -0.225 41.765 42.059 -0.116 0.000 0.922 238 L HN 0.440 nan 8.230 nan 0.000 0.445 239 H N -1.480 117.695 119.070 0.174 0.000 2.486 239 H HA 0.104 4.660 4.556 -0.000 0.000 0.284 239 H C 1.670 177.001 175.328 0.006 0.000 1.103 239 H CA -0.257 55.837 56.048 0.077 0.000 1.089 239 H CB 0.222 29.991 29.762 0.010 0.000 1.603 239 H HN 0.163 nan 8.280 nan 0.000 0.557 240 R N 1.149 121.777 120.500 0.214 0.000 2.293 240 R HA -0.143 4.197 4.340 -0.000 0.000 0.219 240 R C 0.836 177.136 176.300 -0.001 0.000 1.091 240 R CA 1.451 57.606 56.100 0.091 0.000 1.004 240 R CB -0.442 29.829 30.300 -0.048 0.000 0.865 240 R HN 0.525 nan 8.270 nan 0.000 0.469 241 H N 0.231 119.279 119.070 -0.038 0.000 2.548 241 H HA 0.162 4.718 4.556 -0.000 0.000 0.268 241 H C 0.247 175.580 175.328 0.008 0.000 0.975 241 H CA -0.089 55.935 56.048 -0.040 0.000 1.195 241 H CB -0.188 29.549 29.762 -0.042 0.000 1.397 241 H HN 0.169 nan 8.280 nan 0.000 0.572 242 L N 4.084 125.106 121.223 -0.334 0.000 2.257 242 L HA 0.191 4.531 4.340 -0.000 0.000 0.290 242 L C -1.094 175.747 176.870 -0.049 0.000 1.044 242 L CA -1.920 52.807 54.840 -0.189 0.000 0.810 242 L CB 1.620 43.564 42.059 -0.193 0.000 1.193 242 L HN -0.025 nan 8.230 nan 0.000 0.425 243 P HA -0.108 nan 4.420 nan 0.000 0.221 243 P C 0.325 177.657 177.300 0.053 0.000 1.145 243 P CA 0.941 64.050 63.100 0.016 0.000 0.795 243 P CB 0.442 32.149 31.700 0.012 0.000 0.775 244 V N 0.365 120.309 119.914 0.050 0.000 2.604 244 V HA 0.343 4.463 4.120 -0.000 0.000 0.305 244 V C -0.612 175.542 176.094 0.101 0.000 1.043 244 V CA -0.673 61.668 62.300 0.068 0.000 0.888 244 V CB 1.585 33.431 31.823 0.037 0.000 0.995 244 V HN 0.080 nan 8.190 nan 0.000 0.429 245 H N 3.281 122.345 119.070 -0.010 0.000 2.800 245 H HA 0.638 5.194 4.556 -0.000 0.000 0.322 245 H C -1.174 174.133 175.328 -0.035 0.000 0.979 245 H CA -0.534 55.495 56.048 -0.033 0.000 1.277 245 H CB 1.532 31.273 29.762 -0.035 0.000 1.484 245 H HN 0.372 nan 8.280 nan 0.000 0.512 246 V N 6.622 126.338 119.914 -0.330 0.000 2.432 246 V HA 0.178 4.298 4.120 -0.000 0.000 0.275 246 V C -0.326 175.503 176.094 -0.441 0.000 1.043 246 V CA -0.579 61.510 62.300 -0.352 0.000 0.925 246 V CB 0.521 32.072 31.823 -0.454 0.000 0.985 246 V HN 0.698 nan 8.190 nan 0.000 0.466 247 F N 6.542 126.226 119.950 -0.444 0.000 2.347 247 F HA 0.632 5.159 4.527 -0.000 0.000 0.366 247 F C -0.133 175.509 175.800 -0.263 0.000 1.107 247 F CA -0.682 57.054 58.000 -0.440 0.000 1.058 247 F CB 1.221 39.990 39.000 -0.384 0.000 1.236 247 F HN 0.466 nan 8.300 nan 0.000 0.456 248 M N 7.493 126.750 119.600 -0.571 0.000 2.125 248 M HA 0.564 5.044 4.480 -0.000 0.000 0.321 248 M C -1.861 174.138 176.300 -0.501 0.000 0.983 248 M CA -0.604 54.453 55.300 -0.405 0.000 0.934 248 M CB 1.035 33.502 32.600 -0.222 0.000 1.542 248 M HN 0.279 nan 8.290 nan 0.000 0.424 249 V N 5.602 125.262 119.914 -0.424 0.000 2.398 249 V HA 0.248 4.368 4.120 -0.000 0.000 0.286 249 V C -0.981 174.950 176.094 -0.271 0.000 1.026 249 V CA -0.455 61.642 62.300 -0.339 0.000 0.868 249 V CB 1.258 32.923 31.823 -0.264 0.000 0.982 249 V HN 0.697 nan 8.190 nan 0.000 0.443 250 Y N 3.434 123.593 120.300 -0.234 0.000 2.736 250 Y HA 0.536 5.086 4.550 -0.000 0.000 0.339 250 Y C 0.778 176.606 175.900 -0.121 0.000 1.301 250 Y CA 0.274 58.272 58.100 -0.171 0.000 1.676 250 Y CB 0.706 39.054 38.460 -0.187 0.000 1.725 250 Y HN 0.664 nan 8.280 nan 0.000 0.466 251 S N 0.443 116.090 115.700 -0.088 0.000 2.558 251 S HA 0.224 4.694 4.470 -0.000 0.000 0.277 251 S C 0.238 174.785 174.600 -0.088 0.000 1.143 251 S CA -0.645 57.527 58.200 -0.047 0.000 0.865 251 S CB 1.266 64.454 63.200 -0.020 0.000 1.102 251 S HN 0.440 nan 8.310 nan 0.000 0.454 252 E N 2.590 122.751 120.200 -0.064 0.000 2.216 252 E HA 0.240 4.590 4.350 -0.000 0.000 0.192 252 E C 1.736 178.292 176.600 -0.073 0.000 0.973 252 E CA 0.923 57.278 56.400 -0.076 0.000 0.851 252 E CB -0.002 29.666 29.700 -0.054 0.000 0.804 252 E HN 0.639 nan 8.360 nan 0.000 0.477 253 R N -0.113 120.347 120.500 -0.067 0.000 2.105 253 R HA -0.013 4.327 4.340 -0.000 0.000 0.239 253 R C 1.376 177.587 176.300 -0.148 0.000 1.135 253 R CA 1.232 57.269 56.100 -0.106 0.000 0.967 253 R CB -0.243 29.987 30.300 -0.118 0.000 0.861 253 R HN 0.227 nan 8.270 nan 0.000 0.442 254 L N 1.385 122.534 121.223 -0.124 0.000 2.728 254 L HA 0.075 4.415 4.340 -0.000 0.000 0.235 254 L C 1.742 178.565 176.870 -0.080 0.000 1.197 254 L CA -0.160 54.613 54.840 -0.111 0.000 0.992 254 L CB 0.109 42.118 42.059 -0.083 0.000 1.263 254 L HN 0.231 nan 8.230 nan 0.000 0.484 255 S N -1.532 114.103 115.700 -0.108 0.000 2.440 255 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 255 S C 1.578 176.015 174.600 -0.272 0.000 1.010 255 S CA 0.995 59.079 58.200 -0.194 0.000 0.972 255 S CB -0.377 62.672 63.200 -0.252 0.000 0.774 255 S HN 0.522 nan 8.310 nan 0.000 0.501 256 H N -0.284 118.750 119.070 -0.061 0.000 2.551 256 H HA 0.315 4.871 4.556 -0.000 0.000 0.271 256 H C 1.693 177.043 175.328 0.035 0.000 0.984 256 H CA 0.335 56.361 56.048 -0.038 0.000 1.164 256 H CB 0.205 29.905 29.762 -0.103 0.000 1.437 256 H HN 0.346 nan 8.280 nan 0.000 0.550 257 L N 2.107 123.411 121.223 0.135 0.000 2.056 257 L HA 0.019 4.359 4.340 -0.000 0.000 0.207 257 L C -0.895 176.208 176.870 0.389 0.000 1.078 257 L CA 1.319 56.300 54.840 0.235 0.000 0.749 257 L CB -0.843 41.334 42.059 0.197 0.000 0.901 257 L HN 0.027 nan 8.230 nan 0.000 0.433 258 P HA -0.136 nan 4.420 nan 0.000 0.216 258 P C 1.835 179.285 177.300 0.250 0.000 1.153 258 P CA 1.801 65.143 63.100 0.403 0.000 0.858 258 P CB 0.003 31.855 31.700 0.253 0.000 0.789 259 S N -1.833 113.969 115.700 0.171 0.000 2.368 259 S HA -0.192 4.278 4.470 -0.000 0.000 0.225 259 S C 1.610 176.265 174.600 0.092 0.000 1.030 259 S CA 1.138 59.401 58.200 0.103 0.000 0.999 259 S CB -1.162 62.098 63.200 0.100 0.000 0.844 259 S HN 0.316 nan 8.310 nan 0.000 0.459 260 W N 1.612 122.907 121.300 -0.008 0.000 2.355 260 W HA -0.169 4.491 4.660 -0.000 0.000 0.309 260 W C 1.846 178.298 176.519 -0.112 0.000 1.206 260 W CA 1.196 58.508 57.345 -0.057 0.000 1.284 260 W CB -0.666 28.777 29.460 -0.028 0.000 1.145 260 W HN 0.277 nan 8.180 nan 0.000 0.502 261 F N 0.604 120.400 119.950 -0.256 0.000 2.171 261 F HA -0.188 4.338 4.527 -0.000 0.000 0.300 261 F C 2.080 177.564 175.800 -0.527 0.000 1.090 261 F CA 2.241 59.831 58.000 -0.683 0.000 1.293 261 F CB -0.956 37.505 39.000 -0.898 0.000 1.013 261 F HN -0.211 nan 8.300 nan 0.000 0.486 262 V N 0.849 120.505 119.914 -0.430 0.000 2.332 262 V HA -0.362 3.758 4.120 -0.000 0.000 0.248 262 V C 2.517 178.349 176.094 -0.436 0.000 1.055 262 V CA 2.391 64.461 62.300 -0.385 0.000 1.038 262 V CB -0.909 30.837 31.823 -0.128 0.000 0.651 262 V HN 0.525 nan 8.190 nan 0.000 0.450 263 Q N -0.566 118.980 119.800 -0.423 0.000 2.046 263 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 263 Q C 2.304 177.962 176.000 -0.570 0.000 0.975 263 Q CA 2.030 57.591 55.803 -0.403 0.000 0.836 263 Q CB -0.210 28.324 28.738 -0.340 0.000 0.896 263 Q HN 0.545 nan 8.270 nan 0.000 0.428 264 L N 0.507 121.211 121.223 -0.865 0.000 1.990 264 L HA -0.234 4.106 4.340 -0.000 0.000 0.213 264 L C 2.351 178.761 176.870 -0.766 0.000 1.072 264 L CA 2.682 56.928 54.840 -0.992 0.000 0.755 264 L CB -0.917 40.347 42.059 -1.325 0.000 0.889 264 L HN 0.400 nan 8.230 nan 0.000 0.432 265 H N -1.062 117.428 119.070 -0.967 0.000 2.299 265 H HA -0.135 4.421 4.556 -0.000 0.000 0.302 265 H C 1.896 176.989 175.328 -0.392 0.000 1.078 265 H CA 2.163 57.786 56.048 -0.709 0.000 1.323 265 H CB -0.124 29.064 29.762 -0.958 0.000 1.381 265 H HN 0.406 nan 8.280 nan 0.000 0.498 266 D N 0.111 120.342 120.400 -0.280 0.000 2.087 266 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 266 D C 2.125 178.302 176.300 -0.205 0.000 0.993 266 D CA 1.572 55.465 54.000 -0.178 0.000 0.828 266 D CB -0.304 40.422 40.800 -0.123 0.000 0.968 266 D HN 0.526 nan 8.370 nan 0.000 0.448 267 E N -0.251 119.808 120.200 -0.234 0.000 2.204 267 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 267 E C 1.873 178.360 176.600 -0.189 0.000 0.989 267 E CA 0.663 56.952 56.400 -0.186 0.000 0.824 267 E CB 0.204 29.791 29.700 -0.188 0.000 0.756 267 E HN 0.056 nan 8.360 nan 0.000 0.477 268 S N 0.090 115.628 115.700 -0.269 0.000 2.362 268 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 268 S C 1.756 176.215 174.600 -0.234 0.000 1.032 268 S CA 0.606 58.656 58.200 -0.251 0.000 0.973 268 S CB 0.098 63.117 63.200 -0.302 0.000 0.849 268 S HN 0.231 nan 8.310 nan 0.000 0.465 269 L N 0.707 121.769 121.223 -0.267 0.000 2.554 269 L HA 0.282 4.622 4.340 -0.000 0.000 0.225 269 L C 1.325 178.181 176.870 -0.024 0.000 1.104 269 L CA -0.128 54.633 54.840 -0.131 0.000 0.866 269 L CB -0.338 41.611 42.059 -0.184 0.000 1.047 269 L HN 0.230 nan 8.230 nan 0.000 0.468 270 G N 1.873 110.625 108.800 -0.080 0.000 2.716 270 G HA2 0.279 4.239 3.960 -0.000 0.000 0.296 270 G HA3 0.279 4.239 3.960 -0.000 0.000 0.296 270 G C 0.018 174.901 174.900 -0.029 0.000 0.811 270 G CA -0.023 45.054 45.100 -0.037 0.000 1.758 270 G HN -0.021 nan 8.290 nan 0.000 0.512 271 K N 0.719 121.115 120.400 -0.006 0.000 2.469 271 K HA 0.423 4.743 4.320 -0.000 0.000 0.268 271 K C -1.052 175.550 176.600 0.003 0.000 1.027 271 K CA -0.900 55.385 56.287 -0.004 0.000 0.893 271 K CB 2.114 34.612 32.500 -0.003 0.000 1.460 271 K HN 0.033 nan 8.250 nan 0.000 0.449 272 V N 2.861 122.777 119.914 0.004 0.000 2.406 272 V HA 0.055 4.175 4.120 -0.000 0.000 0.272 272 V C 0.106 176.211 176.094 0.018 0.000 1.043 272 V CA -0.575 61.729 62.300 0.005 0.000 0.915 272 V CB 0.926 32.752 31.823 0.005 0.000 0.988 272 V HN 0.789 nan 8.190 nan 0.000 0.466 273 D N 4.458 124.871 120.400 0.021 0.000 2.414 273 D HA 0.098 4.738 4.640 -0.000 0.000 0.251 273 D C 1.081 177.402 176.300 0.034 0.000 1.252 273 D CA -0.731 53.292 54.000 0.039 0.000 0.999 273 D CB 0.684 41.513 40.800 0.048 0.000 1.093 273 D HN 0.205 nan 8.370 nan 0.000 0.515 274 R N -1.246 119.280 120.500 0.044 0.000 2.200 274 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 274 R C 1.496 177.814 176.300 0.030 0.000 1.127 274 R CA 1.334 57.457 56.100 0.038 0.000 0.989 274 R CB -0.018 30.310 30.300 0.046 0.000 0.869 274 R HN 0.435 nan 8.270 nan 0.000 0.459 275 Q N -1.264 118.552 119.800 0.027 0.000 2.280 275 Q HA 0.195 4.535 4.340 -0.000 0.000 0.201 275 Q C 0.837 176.844 176.000 0.012 0.000 0.890 275 Q CA 0.719 56.533 55.803 0.019 0.000 0.947 275 Q CB 1.139 29.888 28.738 0.018 0.000 1.081 275 Q HN 0.454 nan 8.270 nan 0.000 0.502 276 G N 1.467 110.274 108.800 0.012 0.000 2.143 276 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.248 276 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.248 276 G C -0.036 174.864 174.900 -0.000 0.000 0.991 276 G CA 0.040 45.144 45.100 0.006 0.000 0.689 276 G HN 0.214 nan 8.290 nan 0.000 0.522 277 Q N -0.138 119.660 119.800 -0.004 0.000 2.256 277 Q HA 0.458 4.797 4.340 -0.000 0.000 0.257 277 Q C 0.573 176.559 176.000 -0.023 0.000 0.936 277 Q CA -0.649 55.144 55.803 -0.016 0.000 0.903 277 Q CB 1.113 29.836 28.738 -0.025 0.000 1.263 277 Q HN 0.482 nan 8.270 nan 0.000 0.440 278 R N 0.991 121.475 120.500 -0.027 0.000 2.404 278 R HA 0.227 4.567 4.340 -0.000 0.000 0.315 278 R C 0.393 176.659 176.300 -0.055 0.000 1.032 278 R CA -0.058 56.023 56.100 -0.031 0.000 0.992 278 R CB 0.070 30.355 30.300 -0.026 0.000 0.959 278 R HN 0.441 nan 8.270 nan 0.000 0.428 279 V N -0.180 119.698 119.914 -0.060 0.000 3.155 279 V HA 1.011 5.131 4.120 -0.000 0.000 0.313 279 V C 0.165 176.205 176.094 -0.089 0.000 1.162 279 V CA -0.440 61.786 62.300 -0.122 0.000 1.048 279 V CB 1.909 33.629 31.823 -0.172 0.000 1.092 279 V HN 0.887 nan 8.190 nan 0.000 0.447 280 G N 0.501 109.196 108.800 -0.176 0.000 2.697 280 G HA2 0.441 4.400 3.960 -0.000 0.000 0.684 280 G HA3 0.441 4.400 3.960 -0.000 0.000 0.684 280 G C -0.540 174.373 174.900 0.022 0.000 1.274 280 G CA -0.169 44.927 45.100 -0.005 0.000 0.806 280 G HN 2.042 nan 8.290 nan 0.000 0.644 281 T N -1.033 113.654 114.554 0.222 0.000 2.944 281 T HA 0.771 5.121 4.350 -0.000 0.000 0.284 281 T C 0.338 175.212 174.700 0.290 0.000 1.010 281 T CA -0.186 62.065 62.100 0.252 0.000 1.025 281 T CB 1.976 71.062 68.868 0.364 0.000 1.079 281 T HN 0.845 nan 8.240 nan 0.000 0.516 282 T N 2.162 116.827 114.554 0.185 0.000 2.728 282 T HA 0.585 4.935 4.350 -0.000 0.000 0.296 282 T C 0.351 175.124 174.700 0.122 0.000 0.940 282 T CA -0.508 61.675 62.100 0.138 0.000 1.013 282 T CB 0.305 69.219 68.868 0.077 0.000 0.912 282 T HN 0.946 nan 8.240 nan 0.000 0.484 283 A N 3.731 126.613 122.820 0.103 0.000 2.366 283 A HA 0.597 4.917 4.320 -0.000 0.000 0.272 283 A C -0.080 177.515 177.584 0.019 0.000 1.135 283 A CA -0.482 51.558 52.037 0.004 0.000 0.804 283 A CB 0.328 19.261 19.000 -0.110 0.000 1.064 283 A HN 0.677 nan 8.150 nan 0.000 0.499 284 V N 5.845 125.768 119.914 0.016 0.000 2.444 284 V HA 0.418 4.538 4.120 -0.000 0.000 0.294 284 V C -2.221 173.913 176.094 0.066 0.000 1.022 284 V CA -1.441 60.885 62.300 0.043 0.000 0.850 284 V CB 1.889 33.748 31.823 0.060 0.000 0.992 284 V HN 0.885 nan 8.190 nan 0.000 0.426 285 P HA 0.581 nan 4.420 nan 0.000 0.280 285 P C -0.888 176.444 177.300 0.053 0.000 1.244 285 P CA -0.120 63.038 63.100 0.096 0.000 0.784 285 P CB 1.945 33.691 31.700 0.077 0.000 0.913 286 A N 3.471 126.303 122.820 0.019 0.000 2.594 286 A HA 0.756 5.076 4.320 -0.000 0.000 0.295 286 A C -1.522 175.985 177.584 -0.130 0.000 1.071 286 A CA -0.696 51.321 52.037 -0.032 0.000 0.685 286 A CB 1.238 20.258 19.000 0.033 0.000 1.285 286 A HN 0.464 nan 8.150 nan 0.000 0.405 287 L N 0.884 121.998 121.223 -0.182 0.000 2.401 287 L HA 0.754 5.094 4.340 -0.000 0.000 0.266 287 L C 0.443 177.046 176.870 -0.445 0.000 0.991 287 L CA -0.743 53.926 54.840 -0.286 0.000 0.818 287 L CB 2.595 44.523 42.059 -0.218 0.000 1.321 287 L HN 0.921 nan 8.230 nan 0.000 0.413 288 G N 0.906 109.214 108.800 -0.820 0.000 2.420 288 G HA2 0.603 4.563 3.960 -0.000 0.000 0.331 288 G HA3 0.603 4.563 3.960 -0.000 0.000 0.331 288 G C -2.208 172.214 174.900 -0.797 0.000 1.168 288 G CA -1.098 43.168 45.100 -1.389 0.000 0.936 288 G HN 0.431 nan 8.290 nan 0.000 0.479 289 P HA 0.012 nan 4.420 nan 0.000 0.251 289 P C 1.346 178.629 177.300 -0.028 0.000 1.223 289 P CA 0.210 63.224 63.100 -0.142 0.000 0.796 289 P CB 0.357 32.122 31.700 0.109 0.000 1.068 290 K N 0.418 120.772 120.400 -0.077 0.000 2.113 290 K HA -0.172 4.148 4.320 -0.000 0.000 0.208 290 K C 1.104 177.721 176.600 0.028 0.000 1.047 290 K CA 1.594 57.880 56.287 -0.002 0.000 0.928 290 K CB -0.921 31.527 32.500 -0.085 0.000 0.716 290 K HN -0.035 nan 8.250 nan 0.000 0.446 291 D N 1.041 121.394 120.400 -0.078 0.000 2.349 291 D HA -0.032 4.608 4.640 -0.000 0.000 0.224 291 D C 1.297 177.532 176.300 -0.109 0.000 1.029 291 D CA 0.509 54.455 54.000 -0.090 0.000 0.879 291 D CB 0.280 41.017 40.800 -0.104 0.000 0.906 291 D HN 0.467 nan 8.370 nan 0.000 0.528 292 Q N -0.491 119.253 119.800 -0.093 0.000 2.435 292 Q HA -0.026 4.314 4.340 -0.000 0.000 0.207 292 Q C 0.552 176.332 176.000 -0.366 0.000 0.956 292 Q CA 0.691 56.368 55.803 -0.210 0.000 0.917 292 Q CB 0.343 28.939 28.738 -0.236 0.000 0.997 292 Q HN 0.464 nan 8.270 nan 0.000 0.497 293 H N -1.805 117.209 119.070 -0.093 0.000 2.490 293 H HA 0.491 5.047 4.556 -0.000 0.000 0.285 293 H C 0.319 175.583 175.328 -0.106 0.000 1.127 293 H CA 0.436 56.432 56.048 -0.087 0.000 0.993 293 H CB 0.971 30.693 29.762 -0.068 0.000 1.653 293 H HN 0.227 nan 8.280 nan 0.000 0.557 294 A N -0.075 122.698 122.820 -0.077 0.000 1.429 294 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 294 A C 1.364 178.817 177.584 -0.218 0.000 1.863 294 A CA -0.070 51.900 52.037 -0.112 0.000 1.494 294 A CB 0.523 19.474 19.000 -0.082 0.000 1.413 294 A HN 0.205 nan 8.150 nan 0.000 0.338 295 Q N -0.163 119.433 119.800 -0.341 0.000 2.391 295 Q HA 0.203 4.543 4.340 -0.000 0.000 0.243 295 Q C 1.539 176.865 176.000 -1.124 0.000 0.874 295 Q CA 0.876 56.277 55.803 -0.670 0.000 0.950 295 Q CB 0.698 29.036 28.738 -0.666 0.000 1.103 295 Q HN 0.346 nan 8.270 nan 0.000 0.544 296 V N 1.794 121.286 119.914 -0.702 0.000 2.469 296 V HA -0.306 3.814 4.120 -0.000 0.000 0.251 296 V C 2.372 178.289 176.094 -0.296 0.000 1.064 296 V CA 2.223 64.257 62.300 -0.444 0.000 1.066 296 V CB -0.475 31.265 31.823 -0.138 0.000 0.667 296 V HN 0.341 nan 8.190 nan 0.000 0.461 297 Q N 0.403 120.043 119.800 -0.268 0.000 2.112 297 Q HA -0.254 4.086 4.340 -0.000 0.000 0.206 297 Q C 1.969 177.885 176.000 -0.140 0.000 0.987 297 Q CA 2.389 58.094 55.803 -0.164 0.000 0.858 297 Q CB -0.673 27.980 28.738 -0.142 0.000 0.905 297 Q HN 0.563 nan 8.270 nan 0.000 0.420 298 L N -0.553 120.537 121.223 -0.222 0.000 2.056 298 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 298 L C 1.804 178.704 176.870 0.050 0.000 1.078 298 L CA 1.623 56.394 54.840 -0.115 0.000 0.749 298 L CB -0.685 41.281 42.059 -0.155 0.000 0.901 298 L HN 0.224 nan 8.230 nan 0.000 0.433 299 F N 0.050 119.976 119.950 -0.040 0.000 2.216 299 F HA -0.073 4.454 4.527 -0.000 0.000 0.300 299 F C 2.591 178.365 175.800 -0.044 0.000 1.085 299 F CA 0.880 58.855 58.000 -0.041 0.000 1.326 299 F CB -1.056 37.914 39.000 -0.049 0.000 1.027 299 F HN 0.096 nan 8.300 nan 0.000 0.497 300 R N 0.415 120.988 120.500 0.123 0.000 2.075 300 R HA -0.021 4.319 4.340 -0.000 0.000 0.226 300 R C 1.453 177.764 176.300 0.019 0.000 1.114 300 R CA 1.191 57.317 56.100 0.043 0.000 0.972 300 R CB -0.400 29.900 30.300 -0.000 0.000 0.869 300 R HN 0.390 nan 8.270 nan 0.000 0.437 301 E N -0.478 119.728 120.200 0.010 0.000 2.539 301 E HA 0.164 4.514 4.350 -0.000 0.000 0.215 301 E C 0.774 177.380 176.600 0.011 0.000 0.965 301 E CA -0.159 56.243 56.400 0.002 0.000 1.019 301 E CB 0.974 30.666 29.700 -0.013 0.000 1.059 301 E HN 0.161 nan 8.360 nan 0.000 0.496 302 G N 2.492 111.309 108.800 0.027 0.000 2.543 302 G HA2 0.314 4.274 3.960 -0.000 0.000 0.290 302 G HA3 0.314 4.274 3.960 -0.000 0.000 0.290 302 G C -2.449 172.476 174.900 0.041 0.000 1.310 302 G CA -1.017 44.103 45.100 0.033 0.000 1.025 302 G HN -0.149 nan 8.290 nan 0.000 0.502 303 P HA 0.080 nan 4.420 nan 0.000 0.267 303 P C -0.206 177.116 177.300 0.038 0.000 1.201 303 P CA 0.097 63.218 63.100 0.035 0.000 0.775 303 P CB 0.486 32.205 31.700 0.033 0.000 0.854 304 L N 2.975 124.216 121.223 0.030 0.000 2.466 304 L HA 0.165 4.505 4.340 -0.000 0.000 0.248 304 L C 0.343 177.225 176.870 0.020 0.000 1.240 304 L CA 0.207 55.062 54.840 0.025 0.000 1.180 304 L CB -0.527 41.551 42.059 0.031 0.000 1.413 304 L HN 0.424 nan 8.230 nan 0.000 0.406 305 D N -0.783 119.623 120.400 0.011 0.000 2.650 305 D HA 0.155 4.794 4.640 -0.000 0.000 0.265 305 D C -0.030 176.259 176.300 -0.019 0.000 1.339 305 D CA -0.353 53.646 54.000 -0.002 0.000 0.816 305 D CB 0.428 41.235 40.800 0.012 0.000 1.091 305 D HN 0.186 nan 8.370 nan 0.000 0.483 306 K N 0.015 120.391 120.400 -0.039 0.000 2.435 306 K HA 0.584 4.904 4.320 -0.000 0.000 0.251 306 K C -1.555 174.992 176.600 -0.089 0.000 0.954 306 K CA -1.191 55.053 56.287 -0.072 0.000 0.820 306 K CB 2.710 35.117 32.500 -0.154 0.000 1.292 306 K HN -0.036 nan 8.250 nan 0.000 0.436 307 L N 3.079 124.269 121.223 -0.054 0.000 2.342 307 L HA 0.439 4.779 4.340 -0.000 0.000 0.276 307 L C -1.906 174.967 176.870 0.006 0.000 0.997 307 L CA -0.554 54.250 54.840 -0.060 0.000 0.838 307 L CB 0.841 42.882 42.059 -0.030 0.000 1.224 307 L HN 0.465 nan 8.230 nan 0.000 0.416 308 L N 5.376 126.507 121.223 -0.153 0.000 2.307 308 L HA 0.851 5.191 4.340 -0.000 0.000 0.284 308 L C 0.161 176.748 176.870 -0.473 0.000 1.023 308 L CA -0.221 54.438 54.840 -0.302 0.000 0.810 308 L CB 1.682 43.507 42.059 -0.389 0.000 1.231 308 L HN 0.741 nan 8.230 nan 0.000 0.423 309 A N 4.050 126.522 122.820 -0.580 0.000 2.303 309 A HA 0.825 5.144 4.320 -0.000 0.000 0.320 309 A C -1.020 176.121 177.584 -0.739 0.000 1.192 309 A CA -0.413 51.066 52.037 -0.929 0.000 0.821 309 A CB 0.616 19.226 19.000 -0.650 0.000 1.188 309 A HN 0.501 nan 8.150 nan 0.000 0.492 310 L N 2.945 123.720 121.223 -0.747 0.000 2.313 310 L HA 0.450 4.790 4.340 -0.000 0.000 0.283 310 L C -0.300 176.167 176.870 -0.671 0.000 1.013 310 L CA -0.186 54.281 54.840 -0.622 0.000 0.816 310 L CB 1.905 43.625 42.059 -0.565 0.000 1.236 310 L HN 0.431 nan 8.230 nan 0.000 0.419 311 V N 5.632 125.196 119.914 -0.584 0.000 2.348 311 V HA 0.439 4.558 4.120 -0.000 0.000 0.270 311 V C 0.107 175.989 176.094 -0.353 0.000 1.037 311 V CA -0.296 61.707 62.300 -0.495 0.000 0.872 311 V CB 0.893 32.434 31.823 -0.470 0.000 1.002 311 V HN 0.490 nan 8.190 nan 0.000 0.464 312 I N 8.031 128.333 120.570 -0.446 0.000 2.406 312 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 312 I C -2.360 173.739 176.117 -0.031 0.000 0.999 312 I CA -2.084 59.040 61.300 -0.293 0.000 1.124 312 I CB 2.708 40.395 38.000 -0.523 0.000 1.289 312 I HN 0.398 nan 8.210 nan 0.000 0.441 313 P HA 0.220 nan 4.420 nan 0.000 0.281 313 P C -0.446 177.097 177.300 0.405 0.000 1.249 313 P CA -0.214 63.030 63.100 0.240 0.000 0.810 313 P CB 1.484 33.369 31.700 0.308 0.000 1.008 314 E N 0.295 120.705 120.200 0.351 0.000 2.489 314 E HA 0.349 4.699 4.350 -0.000 0.000 0.204 314 E C 0.244 176.989 176.600 0.241 0.000 1.006 314 E CA -0.066 56.532 56.400 0.331 0.000 0.936 314 E CB 0.710 30.498 29.700 0.146 0.000 1.002 314 E HN 0.535 nan 8.360 nan 0.000 0.488 315 A N 1.915 124.699 122.820 -0.061 0.000 2.604 315 A HA 0.523 4.843 4.320 -0.000 0.000 0.295 315 A C -2.850 174.135 177.584 -0.999 0.000 1.067 315 A CA -1.277 50.333 52.037 -0.712 0.000 0.683 315 A CB 1.556 20.379 19.000 -0.295 0.000 1.281 315 A HN -0.171 nan 8.150 nan 0.000 0.407 316 P HA 0.504 nan 4.420 nan 0.000 0.283 316 P C 0.185 177.333 177.300 -0.254 0.000 1.271 316 P CA -0.564 62.181 63.100 -0.590 0.000 0.841 316 P CB 1.300 32.714 31.700 -0.477 0.000 1.122 317 L N -0.715 120.448 121.223 -0.100 0.000 2.249 317 L HA 0.187 4.527 4.340 -0.000 0.000 0.207 317 L C 1.216 178.061 176.870 -0.041 0.000 1.090 317 L CA 1.129 55.941 54.840 -0.048 0.000 0.802 317 L CB -0.011 42.053 42.059 0.009 0.000 0.947 317 L HN 0.514 nan 8.230 nan 0.000 0.453 318 E N 0.196 120.379 120.200 -0.029 0.000 2.466 318 E HA 0.107 4.457 4.350 -0.000 0.000 0.308 318 E C -1.313 175.291 176.600 0.006 0.000 0.933 318 E CA -0.370 56.023 56.400 -0.012 0.000 0.800 318 E CB 1.216 30.919 29.700 0.005 0.000 1.434 318 E HN -0.074 nan 8.360 nan 0.000 0.389 319 D N 1.644 122.044 120.400 0.001 0.000 2.377 319 D HA 0.373 5.013 4.640 -0.000 0.000 0.245 319 D C -0.802 175.524 176.300 0.044 0.000 1.196 319 D CA -0.181 53.843 54.000 0.041 0.000 0.962 319 D CB 1.650 42.475 40.800 0.042 0.000 1.127 319 D HN 0.180 nan 8.370 nan 0.000 0.471 320 V N 1.451 121.401 119.914 0.061 0.000 2.623 320 V HA 0.189 4.309 4.120 -0.000 0.000 0.304 320 V C -0.060 176.063 176.094 0.048 0.000 1.054 320 V CA -0.861 61.466 62.300 0.045 0.000 0.882 320 V CB 1.768 33.617 31.823 0.043 0.000 1.002 320 V HN 0.477 nan 8.190 nan 0.000 0.424 321 E N 4.097 124.317 120.200 0.034 0.000 2.313 321 E HA 0.405 4.755 4.350 -0.000 0.000 0.276 321 E C -0.673 175.946 176.600 0.031 0.000 1.031 321 E CA -0.569 55.852 56.400 0.035 0.000 0.857 321 E CB 1.007 30.721 29.700 0.024 0.000 1.040 321 E HN 0.623 nan 8.360 nan 0.000 0.408 322 I N 7.876 128.474 120.570 0.045 0.000 2.421 322 I HA 0.126 4.296 4.170 -0.000 0.000 0.291 322 I C -1.756 174.389 176.117 0.047 0.000 1.089 322 I CA -1.672 59.662 61.300 0.057 0.000 1.354 322 I CB 0.335 38.383 38.000 0.080 0.000 1.413 322 I HN 0.371 nan 8.210 nan 0.000 0.513 323 P HA 0.119 nan 4.420 nan 0.000 0.276 323 P C -0.843 176.214 177.300 -0.405 0.000 1.244 323 P CA -0.537 62.480 63.100 -0.139 0.000 0.801 323 P CB 0.652 32.283 31.700 -0.114 0.000 1.006 324 E N 0.281 120.081 120.200 -0.668 0.000 2.383 324 E HA 0.354 4.704 4.350 -0.000 0.000 0.264 324 E C -0.767 175.255 176.600 -0.964 0.000 1.050 324 E CA -0.898 54.580 56.400 -1.538 0.000 0.896 324 E CB 0.418 29.575 29.700 -0.904 0.000 0.982 324 E HN 0.085 nan 8.360 nan 0.000 0.424 325 V N 2.423 121.717 119.914 -1.034 0.000 2.407 325 V HA 0.115 4.235 4.120 -0.000 0.000 0.291 325 V C 0.026 176.081 176.094 -0.066 0.000 1.018 325 V CA -0.778 61.369 62.300 -0.255 0.000 0.842 325 V CB 1.220 33.054 31.823 0.019 0.000 0.996 325 V HN 0.771 nan 8.190 nan 0.000 0.426 326 E N 3.227 123.388 120.200 -0.066 0.000 2.366 326 E HA 0.354 4.704 4.350 -0.000 0.000 0.266 326 E C 1.173 177.793 176.600 0.032 0.000 1.015 326 E CA 1.068 57.465 56.400 -0.006 0.000 0.906 326 E CB 0.715 30.402 29.700 -0.022 0.000 0.979 326 E HN 1.080 nan 8.360 nan 0.000 0.443 327 G N 3.834 112.669 108.800 0.059 0.000 2.176 327 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.232 327 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.232 327 G C 0.057 175.003 174.900 0.077 0.000 0.986 327 G CA 0.209 45.342 45.100 0.056 0.000 0.643 327 G HN 0.511 nan 8.290 nan 0.000 0.522 328 L N 0.956 122.255 121.223 0.126 0.000 2.839 328 L HA 0.674 5.014 4.340 -0.000 0.000 0.259 328 L C 1.199 178.173 176.870 0.174 0.000 1.369 328 L CA -0.183 54.743 54.840 0.144 0.000 0.845 328 L CB 0.622 42.782 42.059 0.168 0.000 1.181 328 L HN 0.070 nan 8.230 nan 0.000 0.529 329 E N 0.617 120.891 120.200 0.123 0.000 2.265 329 E HA -0.105 4.245 4.350 -0.000 0.000 0.196 329 E C 2.114 178.717 176.600 0.004 0.000 0.996 329 E CA 1.105 57.558 56.400 0.088 0.000 0.832 329 E CB -0.054 29.690 29.700 0.073 0.000 0.756 329 E HN 0.649 nan 8.360 nan 0.000 0.491 330 A N 0.588 123.420 122.820 0.020 0.000 2.178 330 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 330 A C 2.052 179.652 177.584 0.027 0.000 1.157 330 A CA 1.444 53.497 52.037 0.027 0.000 0.689 330 A CB -0.288 18.736 19.000 0.039 0.000 0.787 330 A HN 0.244 nan 8.150 nan 0.000 0.465 331 A N -0.218 122.519 122.820 -0.139 0.000 2.430 331 A HA 0.334 4.654 4.320 -0.000 0.000 0.243 331 A C 1.954 178.871 177.584 -1.113 0.000 1.254 331 A CA 0.912 52.702 52.037 -0.411 0.000 0.914 331 A CB -0.542 18.302 19.000 -0.259 0.000 0.998 331 A HN 0.782 nan 8.150 nan 0.000 0.515 332 S N 0.188 115.321 115.700 -0.945 0.000 2.400 332 S HA -0.301 4.169 4.470 -0.000 0.000 0.232 332 S C 1.831 176.079 174.600 -0.586 0.000 1.025 332 S CA 1.545 59.090 58.200 -1.091 0.000 0.993 332 S CB -1.165 61.875 63.200 -0.267 0.000 0.808 332 S HN 0.950 nan 8.310 nan 0.000 0.478 333 Y N 1.025 121.104 120.300 -0.368 0.000 2.569 333 Y HA 0.255 4.805 4.550 -0.000 0.000 0.293 333 Y C 1.700 177.507 175.900 -0.156 0.000 1.144 333 Y CA 0.439 58.426 58.100 -0.189 0.000 1.321 333 Y CB -0.491 37.892 38.460 -0.128 0.000 0.982 333 Y HN 0.215 nan 8.280 nan 0.000 0.558 334 L N -1.021 119.706 121.223 -0.827 0.000 2.408 334 L HA 0.124 4.464 4.340 -0.000 0.000 0.215 334 L C 0.197 176.997 176.870 -0.117 0.000 1.081 334 L CA -0.396 54.120 54.840 -0.541 0.000 0.840 334 L CB -0.237 41.439 42.059 -0.639 0.000 1.002 334 L HN 0.008 nan 8.230 nan 0.000 0.468 335 F N 1.186 121.054 119.950 -0.137 0.000 2.607 335 F HA 0.290 4.817 4.527 -0.000 0.000 0.374 335 F C 1.585 177.363 175.800 -0.037 0.000 1.104 335 F CA 0.476 58.435 58.000 -0.068 0.000 1.296 335 F CB -0.596 38.378 39.000 -0.043 0.000 1.085 335 F HN 0.182 nan 8.300 nan 0.000 0.584 336 G N 1.399 110.301 108.800 0.169 0.000 2.299 336 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.237 336 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.237 336 G C 0.601 175.542 174.900 0.070 0.000 1.027 336 G CA -0.226 44.931 45.100 0.095 0.000 0.619 336 G HN 0.455 nan 8.290 nan 0.000 0.513 337 K N 1.606 122.046 120.400 0.066 0.000 2.102 337 K HA 0.618 4.938 4.320 -0.000 0.000 0.244 337 K C 0.851 177.485 176.600 0.056 0.000 1.021 337 K CA 0.474 56.792 56.287 0.052 0.000 0.913 337 K CB 0.646 33.164 32.500 0.031 0.000 1.062 337 K HN 0.642 nan 8.250 nan 0.000 0.485 338 T N -2.697 111.897 114.554 0.067 0.000 2.952 338 T HA 0.393 4.743 4.350 -0.000 0.000 0.286 338 T C 1.626 176.375 174.700 0.082 0.000 1.024 338 T CA -0.876 61.272 62.100 0.080 0.000 1.029 338 T CB 0.683 69.616 68.868 0.108 0.000 1.094 338 T HN 0.347 nan 8.240 nan 0.000 0.515 339 L N -0.036 121.240 121.223 0.088 0.000 2.046 339 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 339 L C 2.356 179.279 176.870 0.087 0.000 1.077 339 L CA 1.488 56.373 54.840 0.075 0.000 0.747 339 L CB -0.585 41.519 42.059 0.076 0.000 0.896 339 L HN 0.701 nan 8.230 nan 0.000 0.432 340 F N 0.667 120.634 119.950 0.029 0.000 2.186 340 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 340 F C 2.721 178.543 175.800 0.037 0.000 1.090 340 F CA 1.640 59.661 58.000 0.035 0.000 1.307 340 F CB -0.145 38.874 39.000 0.031 0.000 1.019 340 F HN 0.059 nan 8.300 nan 0.000 0.489 341 Q N -0.020 119.864 119.800 0.139 0.000 2.084 341 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 341 Q C 2.183 178.162 176.000 -0.036 0.000 0.978 341 Q CA 1.897 57.740 55.803 0.067 0.000 0.844 341 Q CB -0.343 28.453 28.738 0.098 0.000 0.898 341 Q HN 0.520 nan 8.270 nan 0.000 0.426 342 L N 0.454 121.661 121.223 -0.027 0.000 2.056 342 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 342 L C 2.089 178.917 176.870 -0.069 0.000 1.078 342 L CA 1.452 56.278 54.840 -0.023 0.000 0.749 342 L CB -0.684 41.374 42.059 -0.002 0.000 0.901 342 L HN 0.409 nan 8.230 nan 0.000 0.433 343 L N -0.485 120.650 121.223 -0.146 0.000 1.970 343 L HA -0.285 4.055 4.340 -0.000 0.000 0.212 343 L C 2.641 179.359 176.870 -0.252 0.000 1.071 343 L CA 2.055 56.785 54.840 -0.184 0.000 0.751 343 L CB -0.410 41.457 42.059 -0.320 0.000 0.889 343 L HN 0.306 nan 8.230 nan 0.000 0.432 344 K N 0.313 120.442 120.400 -0.452 0.000 2.063 344 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 344 K C 1.908 178.406 176.600 -0.170 0.000 1.048 344 K CA 1.746 57.829 56.287 -0.341 0.000 0.928 344 K CB -0.561 31.752 32.500 -0.312 0.000 0.713 344 K HN 0.484 nan 8.250 nan 0.000 0.442 345 A N 0.927 123.682 122.820 -0.107 0.000 1.877 345 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 345 A C 2.002 179.554 177.584 -0.052 0.000 1.186 345 A CA 1.904 53.914 52.037 -0.045 0.000 0.620 345 A CB -0.575 18.421 19.000 -0.006 0.000 0.822 345 A HN 0.507 nan 8.150 nan 0.000 0.443 346 E N -0.274 119.898 120.200 -0.047 0.000 2.110 346 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 346 E C 2.336 178.852 176.600 -0.140 0.000 0.988 346 E CA 0.909 57.304 56.400 -0.007 0.000 0.804 346 E CB -0.303 29.460 29.700 0.106 0.000 0.745 346 E HN 0.624 nan 8.360 nan 0.000 0.458 347 A N 1.813 124.376 122.820 -0.429 0.000 1.877 347 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 347 A C 2.042 179.366 177.584 -0.432 0.000 1.186 347 A CA 1.256 52.658 52.037 -1.059 0.000 0.620 347 A CB -0.275 18.044 19.000 -1.134 0.000 0.822 347 A HN 0.070 nan 8.150 nan 0.000 0.443 348 E N -0.072 120.029 120.200 -0.165 0.000 2.106 348 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 348 E C 2.355 178.996 176.600 0.068 0.000 0.984 348 E CA 1.175 57.609 56.400 0.057 0.000 0.806 348 E CB -0.560 29.185 29.700 0.076 0.000 0.750 348 E HN 0.573 nan 8.360 nan 0.000 0.458 349 A N 0.848 123.667 122.820 -0.002 0.000 1.902 349 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 349 A C 2.458 180.041 177.584 -0.000 0.000 1.181 349 A CA 2.066 54.104 52.037 0.001 0.000 0.623 349 A CB -0.838 18.158 19.000 -0.007 0.000 0.818 349 A HN 0.220 nan 8.150 nan 0.000 0.443 350 T N -1.504 113.050 114.554 0.000 0.000 2.821 350 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 350 T C 1.821 176.557 174.700 0.060 0.000 1.046 350 T CA 1.389 63.508 62.100 0.032 0.000 1.139 350 T CB -0.406 68.525 68.868 0.105 0.000 0.871 350 T HN 0.504 nan 8.240 nan 0.000 0.454 351 Y N 2.208 122.448 120.300 -0.099 0.000 2.114 351 Y HA -0.163 4.387 4.550 -0.000 0.000 0.282 351 Y C 2.385 178.211 175.900 -0.123 0.000 1.165 351 Y CA 1.495 59.558 58.100 -0.062 0.000 1.148 351 Y CB -0.628 37.839 38.460 0.013 0.000 0.972 351 Y HN 0.309 nan 8.280 nan 0.000 0.504 352 E N -0.399 119.735 120.200 -0.111 0.000 2.047 352 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 352 E C 2.329 178.692 176.600 -0.395 0.000 0.987 352 E CA 1.049 57.197 56.400 -0.419 0.000 0.799 352 E CB -0.299 29.337 29.700 -0.108 0.000 0.752 352 E HN 0.486 nan 8.360 nan 0.000 0.449 353 A N 1.036 123.746 122.820 -0.183 0.000 1.940 353 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 353 A C 2.179 179.676 177.584 -0.146 0.000 1.176 353 A CA 1.220 53.175 52.037 -0.137 0.000 0.631 353 A CB -0.663 18.297 19.000 -0.067 0.000 0.814 353 A HN 0.303 nan 8.150 nan 0.000 0.446 354 L N -1.069 120.074 121.223 -0.134 0.000 2.056 354 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 354 L C 3.089 179.844 176.870 -0.192 0.000 1.078 354 L CA 1.035 55.815 54.840 -0.101 0.000 0.749 354 L CB -0.527 41.506 42.059 -0.044 0.000 0.901 354 L HN 0.438 nan 8.230 nan 0.000 0.433 355 A N -0.616 121.963 122.820 -0.401 0.000 1.898 355 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 355 A C 2.303 179.681 177.584 -0.343 0.000 1.181 355 A CA 1.380 53.114 52.037 -0.505 0.000 0.620 355 A CB -0.448 17.767 19.000 -1.308 0.000 0.819 355 A HN 0.350 nan 8.150 nan 0.000 0.442 356 E N 0.533 120.530 120.200 -0.338 0.000 2.160 356 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 356 E C 1.874 178.404 176.600 -0.117 0.000 0.991 356 E CA 1.185 57.469 56.400 -0.195 0.000 0.810 356 E CB -0.247 29.354 29.700 -0.166 0.000 0.742 356 E HN 0.484 nan 8.360 nan 0.000 0.466 357 A N -0.472 122.284 122.820 -0.106 0.000 2.235 357 A HA 0.218 4.538 4.320 -0.000 0.000 0.208 357 A C 1.684 179.244 177.584 -0.041 0.000 1.172 357 A CA 1.244 53.247 52.037 -0.056 0.000 0.786 357 A CB -0.265 18.715 19.000 -0.034 0.000 0.804 357 A HN 0.396 nan 8.150 nan 0.000 0.479 358 G N -1.835 106.931 108.800 -0.056 0.000 2.175 358 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.244 358 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.244 358 G C 0.144 175.036 174.900 -0.013 0.000 0.982 358 G CA 0.165 45.250 45.100 -0.024 0.000 0.641 358 G HN 0.477 nan 8.290 nan 0.000 0.527 359 Q N 0.248 120.027 119.800 -0.035 0.000 2.394 359 Q HA 0.355 4.695 4.340 -0.000 0.000 0.248 359 Q C 0.462 176.446 176.000 -0.027 0.000 0.992 359 Q CA -0.121 55.661 55.803 -0.035 0.000 0.888 359 Q CB 0.550 29.249 28.738 -0.066 0.000 1.257 359 Q HN 0.272 nan 8.270 nan 0.000 0.462 360 R N 1.097 121.583 120.500 -0.024 0.000 2.210 360 R HA 0.369 4.709 4.340 -0.000 0.000 0.338 360 R C -0.467 175.810 176.300 -0.038 0.000 1.062 360 R CA -0.303 55.786 56.100 -0.017 0.000 0.902 360 R CB 0.240 30.476 30.300 -0.107 0.000 1.050 360 R HN 0.338 nan 8.270 nan 0.000 0.461 361 V N 5.447 125.402 119.914 0.068 0.000 2.888 361 V HA 0.671 4.791 4.120 -0.000 0.000 0.309 361 V C -1.649 174.652 176.094 0.345 0.000 1.114 361 V CA -0.801 61.564 62.300 0.108 0.000 0.940 361 V CB 2.059 33.939 31.823 0.095 0.000 1.021 361 V HN 0.759 nan 8.190 nan 0.000 0.426 362 Y N 3.688 124.062 120.300 0.124 0.000 2.669 362 Y HA 0.991 5.541 4.550 -0.000 0.000 0.335 362 Y C -0.525 175.251 175.900 -0.207 0.000 1.116 362 Y CA -0.733 57.429 58.100 0.103 0.000 1.081 362 Y CB 1.640 40.072 38.460 -0.048 0.000 1.297 362 Y HN 0.920 nan 8.280 nan 0.000 0.484 363 A N 1.447 124.149 122.820 -0.196 0.000 2.475 363 A HA 0.776 5.096 4.320 -0.000 0.000 0.301 363 A C -2.016 175.343 177.584 -0.375 0.000 1.059 363 A CA -0.935 50.706 52.037 -0.660 0.000 0.710 363 A CB 1.485 19.693 19.000 -1.320 0.000 1.288 363 A HN 0.791 nan 8.150 nan 0.000 0.408 364 L N 1.872 122.792 121.223 -0.504 0.000 2.316 364 L HA 0.476 4.816 4.340 -0.000 0.000 0.280 364 L C -1.394 175.209 176.870 -0.446 0.000 1.006 364 L CA -0.199 54.451 54.840 -0.316 0.000 0.836 364 L CB 1.054 42.968 42.059 -0.241 0.000 1.221 364 L HN 0.668 nan 8.230 nan 0.000 0.418 365 F N 3.830 123.670 119.950 -0.182 0.000 2.404 365 F HA 0.471 4.998 4.527 -0.000 0.000 0.345 365 F C 0.164 175.866 175.800 -0.164 0.000 1.110 365 F CA -0.342 57.566 58.000 -0.154 0.000 1.130 365 F CB 1.201 40.134 39.000 -0.112 0.000 1.129 365 F HN 0.198 nan 8.300 nan 0.000 0.500 366 L N 5.892 127.147 121.223 0.054 0.000 2.307 366 L HA 0.358 4.697 4.340 -0.000 0.000 0.284 366 L C -1.428 175.487 176.870 0.075 0.000 1.023 366 L CA -1.833 53.009 54.840 0.003 0.000 0.810 366 L CB 1.951 44.011 42.059 0.001 0.000 1.231 366 L HN 0.379 nan 8.230 nan 0.000 0.423 367 P HA -0.162 nan 4.420 nan 0.000 0.218 367 P C -0.095 177.244 177.300 0.065 0.000 1.148 367 P CA 1.519 64.658 63.100 0.064 0.000 0.822 367 P CB 0.242 31.986 31.700 0.074 0.000 0.784 368 E N -2.550 117.700 120.200 0.084 0.000 2.417 368 E HA 0.122 4.472 4.350 -0.000 0.000 0.280 368 E C -1.510 175.163 176.600 0.122 0.000 1.112 368 E CA -0.820 55.627 56.400 0.079 0.000 0.863 368 E CB 0.637 30.353 29.700 0.026 0.000 1.346 368 E HN -0.271 nan 8.360 nan 0.000 0.443 369 V N 2.216 122.212 119.914 0.137 0.000 2.326 369 V HA 0.351 4.471 4.120 -0.000 0.000 0.249 369 V C 0.103 176.373 176.094 0.293 0.000 1.114 369 V CA 0.573 62.984 62.300 0.184 0.000 1.028 369 V CB -0.678 31.223 31.823 0.130 0.000 1.170 369 V HN 0.652 nan 8.190 nan 0.000 0.494 370 S N 4.405 120.292 115.700 0.312 0.000 2.595 370 S HA 0.636 5.106 4.470 -0.000 0.000 0.281 370 S C -2.327 172.283 174.600 0.018 0.000 1.117 370 S CA -1.590 56.737 58.200 0.212 0.000 0.873 370 S CB 2.450 65.721 63.200 0.118 0.000 1.108 370 S HN 0.240 nan 8.310 nan 0.000 0.477 371 P HA -0.140 nan 4.420 nan 0.000 0.216 371 P C 1.034 178.274 177.300 -0.100 0.000 1.153 371 P CA 1.224 63.923 63.100 -0.667 0.000 0.858 371 P CB -0.177 31.117 31.700 -0.676 0.000 0.789 372 Y N 0.589 120.837 120.300 -0.087 0.000 2.114 372 Y HA -0.212 4.338 4.550 -0.000 0.000 0.284 372 Y C 2.392 178.399 175.900 0.179 0.000 1.143 372 Y CA 1.963 60.092 58.100 0.048 0.000 1.135 372 Y CB -1.044 37.452 38.460 0.061 0.000 0.980 372 Y HN -0.124 nan 8.280 nan 0.000 0.499 373 A N -0.879 122.074 122.820 0.221 0.000 1.930 373 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 373 A C 2.298 179.950 177.584 0.112 0.000 1.175 373 A CA 1.868 53.991 52.037 0.143 0.000 0.627 373 A CB -1.220 17.872 19.000 0.155 0.000 0.815 373 A HN 0.351 nan 8.150 nan 0.000 0.443 374 V N -0.217 119.792 119.914 0.158 0.000 2.453 374 V HA -0.112 4.008 4.120 -0.000 0.000 0.247 374 V C 2.790 178.952 176.094 0.113 0.000 1.048 374 V CA 1.727 64.123 62.300 0.159 0.000 1.049 374 V CB -1.301 30.705 31.823 0.305 0.000 0.672 374 V HN 0.594 nan 8.190 nan 0.000 0.457 375 G N -0.964 107.888 108.800 0.087 0.000 2.422 375 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 375 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 375 G C 1.392 176.381 174.900 0.149 0.000 1.146 375 G CA 0.730 45.868 45.100 0.064 0.000 0.769 375 G HN 0.547 nan 8.290 nan 0.000 0.547 376 W N 1.140 122.377 121.300 -0.106 0.000 2.354 376 W HA -0.027 4.633 4.660 -0.000 0.000 0.315 376 W C 2.204 178.770 176.519 0.078 0.000 1.206 376 W CA 1.101 58.405 57.345 -0.068 0.000 1.290 376 W CB -0.993 28.339 29.460 -0.214 0.000 1.152 376 W HN 0.201 nan 8.180 nan 0.000 0.489 377 L N 1.159 122.557 121.223 0.292 0.000 2.012 377 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 377 L C 2.562 179.633 176.870 0.335 0.000 1.073 377 L CA 2.558 57.521 54.840 0.206 0.000 0.748 377 L CB -1.073 41.041 42.059 0.091 0.000 0.891 377 L HN -0.030 nan 8.230 nan 0.000 0.431 378 M N -1.501 118.236 119.600 0.228 0.000 2.086 378 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 378 M C 2.346 178.898 176.300 0.421 0.000 1.067 378 M CA 1.922 57.347 55.300 0.209 0.000 1.116 378 M CB -0.405 32.037 32.600 -0.263 0.000 1.348 378 M HN 0.301 nan 8.290 nan 0.000 0.407 379 Q N -0.194 119.833 119.800 0.377 0.000 2.124 379 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 379 Q C 1.786 178.148 176.000 0.604 0.000 0.977 379 Q CA 2.021 58.097 55.803 0.455 0.000 0.850 379 Q CB -0.363 28.626 28.738 0.417 0.000 0.901 379 Q HN 0.634 nan 8.270 nan 0.000 0.429 380 H N -0.688 118.689 119.070 0.511 0.000 2.319 380 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 380 H C 1.627 177.216 175.328 0.435 0.000 1.092 380 H CA 2.036 58.388 56.048 0.506 0.000 1.302 380 H CB -0.155 29.872 29.762 0.442 0.000 1.373 380 H HN 0.301 nan 8.280 nan 0.000 0.497 381 L N -0.325 121.229 121.223 0.552 0.000 2.131 381 L HA -0.167 4.172 4.340 -0.000 0.000 0.210 381 L C 2.623 179.621 176.870 0.214 0.000 1.092 381 L CA 1.188 56.281 54.840 0.420 0.000 0.759 381 L CB -0.317 42.034 42.059 0.488 0.000 0.903 381 L HN 0.455 nan 8.230 nan 0.000 0.435 382 M N -1.921 117.786 119.600 0.177 0.000 2.175 382 M HA -0.202 4.278 4.480 -0.000 0.000 0.264 382 M C 2.110 178.259 176.300 -0.253 0.000 1.063 382 M CA 2.000 57.221 55.300 -0.132 0.000 1.119 382 M CB -0.382 32.072 32.600 -0.245 0.000 1.377 382 M HN 0.261 nan 8.290 nan 0.000 0.415 383 W N 0.822 122.079 121.300 -0.072 0.000 2.379 383 W HA -0.192 4.468 4.660 -0.000 0.000 0.307 383 W C 2.693 179.033 176.519 -0.299 0.000 1.200 383 W CA 1.432 58.668 57.345 -0.181 0.000 1.297 383 W CB -0.490 28.898 29.460 -0.120 0.000 1.140 383 W HN 0.317 nan 8.180 nan 0.000 0.507 384 Q N -0.166 119.702 119.800 0.114 0.000 2.062 384 Q HA -0.252 4.088 4.340 -0.000 0.000 0.209 384 Q C 1.873 177.915 176.000 0.070 0.000 0.996 384 Q CA 2.851 58.734 55.803 0.134 0.000 0.859 384 Q CB -0.525 28.291 28.738 0.130 0.000 0.920 384 Q HN 0.160 nan 8.270 nan 0.000 0.415 385 T N 0.649 115.203 114.554 0.001 0.000 2.746 385 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 385 T C 1.781 176.394 174.700 -0.144 0.000 1.039 385 T CA 1.299 63.336 62.100 -0.104 0.000 1.142 385 T CB -0.410 68.366 68.868 -0.153 0.000 0.866 385 T HN 0.504 nan 8.240 nan 0.000 0.444 386 A N 1.077 123.831 122.820 -0.111 0.000 1.902 386 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 386 A C 1.943 179.557 177.584 0.051 0.000 1.181 386 A CA 1.270 53.285 52.037 -0.036 0.000 0.623 386 A CB -0.901 18.162 19.000 0.106 0.000 0.818 386 A HN 0.416 nan 8.150 nan 0.000 0.443 387 F N -0.008 120.010 119.950 0.114 0.000 2.134 387 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 387 F C 2.109 177.841 175.800 -0.113 0.000 1.097 387 F CA 0.662 58.695 58.000 0.055 0.000 1.264 387 F CB -0.919 38.131 39.000 0.083 0.000 1.001 387 F HN 0.085 nan 8.300 nan 0.000 0.479 388 L N -0.548 120.642 121.223 -0.056 0.000 2.131 388 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 388 L C 2.686 179.313 176.870 -0.405 0.000 1.092 388 L CA 1.271 55.837 54.840 -0.457 0.000 0.759 388 L CB -1.265 40.358 42.059 -0.727 0.000 0.903 388 L HN 0.256 nan 8.230 nan 0.000 0.435 389 G N -0.682 107.986 108.800 -0.220 0.000 2.450 389 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 389 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 389 G C 1.480 176.373 174.900 -0.012 0.000 1.130 389 G CA 0.421 45.437 45.100 -0.140 0.000 0.760 389 G HN 0.272 nan 8.290 nan 0.000 0.557 390 E N 0.418 120.637 120.200 0.032 0.000 2.051 390 E HA 0.054 4.404 4.350 -0.000 0.000 0.189 390 E C 2.714 179.350 176.600 0.059 0.000 0.979 390 E CA 0.262 56.709 56.400 0.078 0.000 0.803 390 E CB -0.430 29.348 29.700 0.130 0.000 0.761 390 E HN 0.431 nan 8.360 nan 0.000 0.451 391 L N -0.787 120.428 121.223 -0.014 0.000 2.191 391 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 391 L C 1.707 178.752 176.870 0.291 0.000 1.103 391 L CA 0.718 55.538 54.840 -0.035 0.000 0.769 391 L CB -0.218 41.644 42.059 -0.329 0.000 0.908 391 L HN 0.190 nan 8.230 nan 0.000 0.438 392 W N -0.253 121.069 121.300 0.036 0.000 3.220 392 W HA 0.178 4.838 4.660 -0.000 0.000 0.328 392 W C 0.534 177.075 176.519 0.036 0.000 1.205 392 W CA -0.898 56.485 57.345 0.063 0.000 1.773 392 W CB -0.482 29.010 29.460 0.054 0.000 1.086 392 W HN 0.145 nan 8.180 nan 0.000 0.622 393 E N 0.155 120.491 120.200 0.227 0.000 2.252 393 E HA -0.162 4.188 4.350 -0.000 0.000 0.218 393 E C -0.160 176.507 176.600 0.113 0.000 1.253 393 E CA 0.606 57.089 56.400 0.138 0.000 0.705 393 E CB -2.162 27.608 29.700 0.118 0.000 1.172 393 E HN 0.126 nan 8.360 nan 0.000 0.369 394 V N -2.377 117.596 119.914 0.099 0.000 3.141 394 V HA 0.587 4.707 4.120 -0.000 0.000 0.312 394 V C 0.050 176.146 176.094 0.002 0.000 1.157 394 V CA -1.246 61.087 62.300 0.055 0.000 1.041 394 V CB 2.225 34.088 31.823 0.067 0.000 1.071 394 V HN 0.171 nan 8.190 nan 0.000 0.441 395 N N 1.363 120.055 118.700 -0.013 0.000 2.469 395 N HA 0.434 5.174 4.740 -0.000 0.000 0.239 395 N C 0.671 176.082 175.510 -0.164 0.000 1.053 395 N CA 0.315 53.346 53.050 -0.032 0.000 0.937 395 N CB 1.423 39.925 38.487 0.026 0.000 1.163 395 N HN 1.029 nan 8.380 nan 0.000 0.509 396 A N 3.281 125.839 122.820 -0.437 0.000 2.235 396 A HA 0.080 4.400 4.320 -0.000 0.000 0.208 396 A C 0.357 177.461 177.584 -0.801 0.000 1.172 396 A CA 0.478 52.099 52.037 -0.693 0.000 0.786 396 A CB -0.382 18.067 19.000 -0.919 0.000 0.804 396 A HN 0.590 nan 8.150 nan 0.000 0.479 397 F N 0.149 120.110 119.950 0.018 0.000 2.654 397 F HA 0.206 4.733 4.527 -0.000 0.000 0.303 397 F C 0.360 176.191 175.800 0.051 0.000 1.099 397 F CA -1.133 56.887 58.000 0.033 0.000 1.270 397 F CB 0.231 39.199 39.000 -0.054 0.000 1.024 397 F HN 0.261 nan 8.300 nan 0.000 0.548 398 D N -0.349 120.118 120.400 0.112 0.000 2.650 398 D HA 0.390 5.030 4.640 -0.000 0.000 0.255 398 D C -0.270 176.053 176.300 0.039 0.000 1.135 398 D CA -0.644 53.407 54.000 0.085 0.000 1.099 398 D CB 0.659 41.499 40.800 0.067 0.000 1.273 398 D HN 0.021 nan 8.370 nan 0.000 0.628 399 Q N -1.774 118.043 119.800 0.028 0.000 3.976 399 Q HA 0.255 4.595 4.340 -0.000 0.000 0.198 399 Q C -2.603 173.402 176.000 0.009 0.000 0.817 399 Q CA -1.115 54.692 55.803 0.006 0.000 0.819 399 Q CB 0.541 29.280 28.738 0.002 0.000 1.556 399 Q HN 0.159 nan 8.270 nan 0.000 0.416 400 P HA -0.097 nan 4.420 nan 0.000 0.216 400 P C 1.499 178.802 177.300 0.005 0.000 1.150 400 P CA 2.120 65.226 63.100 0.010 0.000 0.837 400 P CB -0.026 31.680 31.700 0.010 0.000 0.786 401 G N 0.044 108.843 108.800 -0.001 0.000 2.498 401 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 401 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 401 G C 1.401 176.300 174.900 -0.003 0.000 1.119 401 G CA 0.957 46.054 45.100 -0.004 0.000 0.766 401 G HN 0.392 nan 8.290 nan 0.000 0.552 402 V N -1.659 118.255 119.914 -0.001 0.000 3.541 402 V HA 0.211 4.331 4.120 -0.000 0.000 0.267 402 V C 2.142 178.239 176.094 0.005 0.000 1.213 402 V CA 1.578 63.879 62.300 0.000 0.000 1.149 402 V CB 0.377 32.200 31.823 -0.000 0.000 0.822 402 V HN 0.245 nan 8.190 nan 0.000 0.462 403 E N 1.381 121.586 120.200 0.007 0.000 2.051 403 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 403 E C 1.855 178.459 176.600 0.008 0.000 0.991 403 E CA 1.916 58.322 56.400 0.009 0.000 0.799 403 E CB -0.561 29.145 29.700 0.011 0.000 0.748 403 E HN 0.532 nan 8.360 nan 0.000 0.449 404 L N 0.325 121.551 121.223 0.006 0.000 2.013 404 L HA -0.065 4.275 4.340 -0.000 0.000 0.212 404 L C 2.265 179.139 176.870 0.005 0.000 1.073 404 L CA 2.594 57.437 54.840 0.005 0.000 0.753 404 L CB -1.203 40.859 42.059 0.004 0.000 0.890 404 L HN 0.288 nan 8.230 nan 0.000 0.432 405 G N -0.979 107.824 108.800 0.005 0.000 2.442 405 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 405 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 405 G C 1.677 176.581 174.900 0.007 0.000 1.141 405 G CA 1.035 46.138 45.100 0.005 0.000 0.763 405 G HN 0.461 nan 8.290 nan 0.000 0.554 406 K N -0.151 120.254 120.400 0.008 0.000 2.057 406 K HA 0.033 4.353 4.320 -0.000 0.000 0.206 406 K C 2.572 179.177 176.600 0.008 0.000 1.050 406 K CA 0.935 57.227 56.287 0.009 0.000 0.935 406 K CB -0.214 32.292 32.500 0.010 0.000 0.715 406 K HN 0.221 nan 8.250 nan 0.000 0.439 407 V N 1.994 121.913 119.914 0.008 0.000 2.307 407 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 407 V C 2.217 178.315 176.094 0.006 0.000 1.045 407 V CA 1.567 63.871 62.300 0.007 0.000 1.024 407 V CB -0.446 31.381 31.823 0.007 0.000 0.651 407 V HN 0.264 nan 8.190 nan 0.000 0.449 408 L N -0.292 120.934 121.223 0.006 0.000 2.083 408 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 408 L C 2.613 179.487 176.870 0.005 0.000 1.083 408 L CA 1.820 56.663 54.840 0.005 0.000 0.752 408 L CB -1.043 41.019 42.059 0.005 0.000 0.899 408 L HN 0.361 nan 8.230 nan 0.000 0.433 409 T N -0.727 113.830 114.554 0.006 0.000 2.746 409 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 409 T C 2.070 176.773 174.700 0.005 0.000 1.039 409 T CA 1.216 63.320 62.100 0.006 0.000 1.142 409 T CB -0.137 68.736 68.868 0.007 0.000 0.866 409 T HN 0.266 nan 8.240 nan 0.000 0.444 410 R N 0.863 121.366 120.500 0.005 0.000 2.081 410 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 410 R C 2.576 178.878 176.300 0.004 0.000 1.131 410 R CA 1.230 57.332 56.100 0.004 0.000 0.960 410 R CB -0.095 30.208 30.300 0.005 0.000 0.856 410 R HN 0.387 nan 8.270 nan 0.000 0.436 411 K N 0.235 120.638 120.400 0.004 0.000 2.009 411 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 411 K C 2.097 178.698 176.600 0.003 0.000 1.049 411 K CA 1.458 57.747 56.287 0.003 0.000 0.929 411 K CB -0.160 32.342 32.500 0.004 0.000 0.714 411 K HN 0.175 nan 8.250 nan 0.000 0.440 412 R N 0.746 121.248 120.500 0.003 0.000 2.189 412 R HA -0.028 4.312 4.340 -0.000 0.000 0.223 412 R C 2.326 178.627 176.300 0.002 0.000 1.092 412 R CA 0.728 56.830 56.100 0.003 0.000 0.989 412 R CB -0.241 30.061 30.300 0.003 0.000 0.876 412 R HN 0.194 nan 8.270 nan 0.000 0.457 413 L N -0.084 121.141 121.223 0.002 0.000 2.095 413 L HA -0.051 4.289 4.340 -0.000 0.000 0.204 413 L C 2.577 179.447 176.870 0.000 0.000 1.080 413 L CA 0.929 55.770 54.840 0.001 0.000 0.759 413 L CB -0.388 41.672 42.059 0.001 0.000 0.914 413 L HN 0.207 nan 8.230 nan 0.000 0.439 414 A N -0.409 122.411 122.820 0.001 0.000 1.872 414 A HA 0.127 4.447 4.320 -0.000 0.000 0.214 414 A C 1.299 178.883 177.584 0.001 0.000 1.187 414 A CA 1.443 53.480 52.037 0.001 0.000 0.614 414 A CB -0.694 18.306 19.000 0.001 0.000 0.826 414 A HN 0.392 nan 8.150 nan 0.000 0.442 415 G N 0.000 108.801 108.800 0.001 0.000 5.446 415 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 415 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 415 G CA 0.000 45.100 45.100 0.001 0.000 0.502 415 G HN 0.000 nan 8.290 nan 0.000 0.925