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 1ynh_1_D DATA FIRST_RESID 3 DATA SEQUENCE AWEVNFDGLV GLTHHYAGLS FGNEASTRHR FQVSNPRLAA KQGLLKMKAL DATA SEQUENCE ADAGFPQAVI PPHERPFIPV LRQLGFSGSD EQVLEKVARQ APHWLSSVSS DATA SEQUENCE ASPMWVANAA TIAPSADTLD GKVHLTVANL NNKFHRSLEA PVTESLLKAI DATA SEQUENCE FNDEEKFSVH SALPQVALLG DEGAANHNRL GGHYGEPGMQ LFVYGREEGN DATA SEQUENCE DTRPSRYPAR QTREASEAVA RLNQVNPQQV IFAQQNPDVI DQGVFHNDVI DATA SEQUENCE AVSNRQVLFC HQQAFARQSQ LLANLRARVN GFMAIEVPAT QVSVSDTVST DATA SEQUENCE YLFNSQLLSR DDGSMMLVLP QECREHAGVW GYLNELLAAD NPISELKVFD DATA SEQUENCE LRESMANGGG PACLRLRVVL TEEERRAVNP AVMMNDTLFN ALNDWVDRYY DATA SEQUENCE RDRLTAADLA DPQLLREGRE ALDVLSQLLN LGSVYPFQR 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.795 177.584 0.352 0.000 1.274 3 A CA 0.000 52.095 52.037 0.097 0.000 0.836 3 A CB 0.000 19.094 19.000 0.157 0.000 0.831 4 W N 0.699 122.095 121.300 0.160 0.000 2.719 4 W HA 0.646 5.306 4.660 -0.000 0.000 0.352 4 W C 0.292 176.805 176.519 -0.010 0.000 1.085 4 W CA -0.890 56.540 57.345 0.142 0.000 1.187 4 W CB 1.382 30.908 29.460 0.109 0.000 1.417 4 W HN 0.869 nan 8.180 nan 0.000 0.557 5 E N 1.424 121.614 120.200 -0.016 0.000 2.130 5 E HA 0.420 4.770 4.350 -0.000 0.000 0.284 5 E C -1.201 175.407 176.600 0.013 0.000 1.018 5 E CA -0.183 56.064 56.400 -0.256 0.000 0.817 5 E CB 0.987 30.168 29.700 -0.865 0.000 1.078 5 E HN 0.151 nan 8.360 nan 0.000 0.396 6 V N 5.066 125.060 119.914 0.133 0.000 2.427 6 V HA 0.236 4.356 4.120 -0.000 0.000 0.286 6 V C -0.038 176.149 176.094 0.154 0.000 1.034 6 V CA -1.013 61.372 62.300 0.140 0.000 0.893 6 V CB 1.540 33.480 31.823 0.195 0.000 0.982 6 V HN 0.677 nan 8.190 nan 0.000 0.452 7 N N 3.674 122.393 118.700 0.031 0.000 2.419 7 N HA 0.435 5.175 4.740 -0.000 0.000 0.264 7 N C -1.090 174.415 175.510 -0.009 0.000 1.031 7 N CA -0.122 52.968 53.050 0.067 0.000 0.951 7 N CB 1.234 39.724 38.487 0.005 0.000 1.101 7 N HN 0.440 nan 8.380 nan 0.000 0.488 8 F N 1.114 121.088 119.950 0.040 0.000 2.388 8 F HA 0.276 4.803 4.527 -0.000 0.000 0.358 8 F C 0.555 176.372 175.800 0.028 0.000 1.122 8 F CA -0.767 57.257 58.000 0.040 0.000 1.056 8 F CB 1.053 40.100 39.000 0.079 0.000 1.155 8 F HN 0.230 nan 8.300 nan 0.000 0.461 9 D N 1.184 121.660 120.400 0.126 0.000 2.217 9 D HA 0.479 5.118 4.640 -0.000 0.000 0.248 9 D C 0.182 176.528 176.300 0.077 0.000 1.008 9 D CA -0.294 53.754 54.000 0.081 0.000 0.914 9 D CB 1.562 42.372 40.800 0.016 0.000 1.182 9 D HN 0.627 nan 8.370 nan 0.000 0.451 10 G N 0.686 109.515 108.800 0.047 0.000 2.339 10 G HA2 0.405 4.365 3.960 -0.000 0.000 0.287 10 G HA3 0.405 4.365 3.960 -0.000 0.000 0.287 10 G C -0.645 174.249 174.900 -0.009 0.000 1.163 10 G CA -0.397 44.712 45.100 0.015 0.000 0.872 10 G HN 0.355 nan 8.290 nan 0.000 0.464 11 L N 4.467 125.706 121.223 0.027 0.000 2.315 11 L HA 0.348 4.688 4.340 -0.000 0.000 0.283 11 L C 0.391 177.299 176.870 0.064 0.000 1.089 11 L CA -0.301 54.572 54.840 0.055 0.000 0.833 11 L CB 1.087 43.202 42.059 0.093 0.000 1.170 11 L HN 0.279 nan 8.230 nan 0.000 0.442 12 V N 5.842 125.770 119.914 0.023 0.000 2.617 12 V HA 0.221 4.341 4.120 -0.000 0.000 0.304 12 V C 1.355 177.564 176.094 0.192 0.000 1.040 12 V CA 0.332 62.628 62.300 -0.007 0.000 1.149 12 V CB 0.083 31.846 31.823 -0.100 0.000 0.914 12 V HN 0.982 nan 8.190 nan 0.000 0.487 13 G N 3.558 112.407 108.800 0.081 0.000 2.606 13 G HA2 0.358 4.317 3.960 -0.000 0.000 0.252 13 G HA3 0.358 4.317 3.960 -0.000 0.000 0.252 13 G C 0.537 175.400 174.900 -0.062 0.000 1.206 13 G CA -0.763 44.381 45.100 0.074 0.000 0.861 13 G HN 0.681 nan 8.290 nan 0.000 0.561 14 L N 0.582 121.562 121.223 -0.406 0.000 2.549 14 L HA 0.071 4.411 4.340 -0.000 0.000 0.229 14 L C 2.640 179.339 176.870 -0.286 0.000 1.158 14 L CA 1.756 56.174 54.840 -0.703 0.000 0.842 14 L CB -0.662 40.880 42.059 -0.861 0.000 0.952 14 L HN 0.681 nan 8.230 nan 0.000 0.452 15 T N -5.408 109.068 114.554 -0.131 0.000 3.134 15 T HA 0.097 4.447 4.350 -0.000 0.000 0.260 15 T C 0.650 175.403 174.700 0.087 0.000 1.027 15 T CA -0.489 61.583 62.100 -0.048 0.000 0.913 15 T CB -0.824 68.020 68.868 -0.040 0.000 1.046 15 T HN 0.292 nan 8.240 nan 0.000 0.553 16 H N 3.647 122.693 119.070 -0.040 0.000 3.192 16 H HA 0.197 4.752 4.556 -0.000 0.000 0.295 16 H C 0.250 175.534 175.328 -0.073 0.000 0.943 16 H CA 0.777 56.771 56.048 -0.089 0.000 1.416 16 H CB -0.155 29.537 29.762 -0.117 0.000 1.434 16 H HN 0.662 nan 8.280 nan 0.000 0.565 17 H N 3.088 121.722 119.070 -0.727 0.000 3.003 17 H HA 0.150 4.705 4.556 -0.000 0.000 0.327 17 H C -1.742 173.180 175.328 -0.675 0.000 1.353 17 H CA -0.992 54.620 56.048 -0.727 0.000 1.142 17 H CB -0.007 29.589 29.762 -0.277 0.000 1.864 17 H HN 0.610 nan 8.280 nan 0.000 0.529 18 Y N 0.846 121.035 120.300 -0.186 0.000 2.404 18 Y HA 0.556 5.106 4.550 -0.000 0.000 0.344 18 Y C 0.741 176.571 175.900 -0.117 0.000 0.970 18 Y CA -0.127 57.877 58.100 -0.160 0.000 1.180 18 Y CB 1.683 40.123 38.460 -0.034 0.000 1.138 18 Y HN 0.816 nan 8.280 nan 0.000 0.510 19 A N 2.377 125.108 122.820 -0.148 0.000 2.545 19 A HA 0.441 4.761 4.320 -0.000 0.000 0.263 19 A C 1.524 178.918 177.584 -0.318 0.000 1.202 19 A CA 0.103 52.026 52.037 -0.191 0.000 0.959 19 A CB -0.476 18.513 19.000 -0.017 0.000 1.124 19 A HN 1.138 nan 8.150 nan 0.000 0.543 20 G N 0.271 108.936 108.800 -0.225 0.000 2.356 20 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.296 20 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.296 20 G C 0.627 175.427 174.900 -0.168 0.000 1.022 20 G CA 0.758 45.742 45.100 -0.193 0.000 0.961 20 G HN 0.556 nan 8.290 nan 0.000 0.510 21 L N -0.419 120.686 121.223 -0.195 0.000 2.492 21 L HA 0.146 4.486 4.340 -0.000 0.000 0.223 21 L C 1.211 178.056 176.870 -0.042 0.000 1.132 21 L CA 0.774 55.498 54.840 -0.193 0.000 0.850 21 L CB 0.242 41.972 42.059 -0.549 0.000 0.966 21 L HN 0.255 nan 8.230 nan 0.000 0.454 22 S N 0.501 116.172 115.700 -0.049 0.000 2.475 22 S HA 0.253 4.723 4.470 -0.000 0.000 0.249 22 S C -0.364 174.171 174.600 -0.109 0.000 1.298 22 S CA -0.557 57.616 58.200 -0.046 0.000 1.125 22 S CB 0.048 63.145 63.200 -0.172 0.000 1.054 22 S HN 0.076 nan 8.310 nan 0.000 0.484 23 F N 2.934 122.792 119.950 -0.154 0.000 2.578 23 F HA 0.464 4.991 4.527 -0.000 0.000 0.381 23 F C 1.294 176.909 175.800 -0.309 0.000 1.069 23 F CA 0.979 58.875 58.000 -0.174 0.000 1.231 23 F CB -0.010 38.961 39.000 -0.049 0.000 1.086 23 F HN 0.707 nan 8.300 nan 0.000 0.564 24 G N 3.951 112.030 108.800 -1.202 0.000 2.238 24 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 24 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 24 G C -0.130 174.177 174.900 -0.989 0.000 0.996 24 G CA 0.006 44.210 45.100 -1.494 0.000 0.632 24 G HN 0.860 nan 8.290 nan 0.000 0.503 25 N N 1.385 119.597 118.700 -0.814 0.000 2.699 25 N HA 0.365 5.104 4.740 -0.000 0.000 0.232 25 N C 1.169 176.438 175.510 -0.402 0.000 1.027 25 N CA -0.020 52.567 53.050 -0.772 0.000 0.920 25 N CB 0.699 38.497 38.487 -1.149 0.000 1.148 25 N HN 0.492 nan 8.380 nan 0.000 0.509 26 E N 1.736 121.787 120.200 -0.249 0.000 2.160 26 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 26 E C 1.373 177.944 176.600 -0.047 0.000 0.991 26 E CA 1.341 57.664 56.400 -0.129 0.000 0.810 26 E CB 0.088 29.768 29.700 -0.034 0.000 0.742 26 E HN 0.712 nan 8.360 nan 0.000 0.466 27 A N 1.322 124.139 122.820 -0.005 0.000 1.877 27 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 27 A C 2.320 179.976 177.584 0.120 0.000 1.186 27 A CA 1.807 53.892 52.037 0.079 0.000 0.620 27 A CB -0.691 18.299 19.000 -0.017 0.000 0.822 27 A HN 0.247 nan 8.150 nan 0.000 0.443 28 S N -0.879 114.804 115.700 -0.028 0.000 2.353 28 S HA -0.184 4.286 4.470 -0.000 0.000 0.222 28 S C 2.080 176.664 174.600 -0.027 0.000 1.035 28 S CA 2.466 60.650 58.200 -0.027 0.000 1.025 28 S CB -0.753 62.364 63.200 -0.138 0.000 0.902 28 S HN 0.602 nan 8.310 nan 0.000 0.440 29 T N 2.237 116.749 114.554 -0.069 0.000 2.746 29 T HA -0.036 4.314 4.350 -0.000 0.000 0.267 29 T C 1.965 176.622 174.700 -0.073 0.000 1.039 29 T CA 1.310 63.373 62.100 -0.061 0.000 1.142 29 T CB -0.288 68.562 68.868 -0.030 0.000 0.866 29 T HN 0.441 nan 8.240 nan 0.000 0.444 30 R N 0.203 120.651 120.500 -0.085 0.000 2.120 30 R HA -0.063 4.277 4.340 -0.000 0.000 0.234 30 R C 1.505 177.589 176.300 -0.360 0.000 1.123 30 R CA 1.247 57.217 56.100 -0.216 0.000 0.975 30 R CB -0.280 29.844 30.300 -0.294 0.000 0.866 30 R HN 0.555 nan 8.270 nan 0.000 0.446 31 H N -0.251 118.733 119.070 -0.143 0.000 2.517 31 H HA 0.192 4.748 4.556 -0.001 0.000 0.282 31 H C -0.250 175.000 175.328 -0.130 0.000 1.023 31 H CA -0.383 55.542 56.048 -0.204 0.000 1.169 31 H CB 0.136 29.636 29.762 -0.437 0.000 1.454 31 H HN -0.055 nan 8.280 nan 0.000 0.556 32 R N 0.546 121.008 120.500 -0.063 0.000 2.500 32 R HA -0.128 4.211 4.340 -0.000 0.000 0.281 32 R C -0.303 175.970 176.300 -0.045 0.000 0.953 32 R CA 0.325 56.305 56.100 -0.199 0.000 1.108 32 R CB -0.280 29.814 30.300 -0.343 0.000 0.901 32 R HN 0.238 nan 8.270 nan 0.000 0.410 33 F N -1.223 118.802 119.950 0.125 0.000 3.093 33 F HA -0.321 4.206 4.527 -0.000 0.000 0.283 33 F C 0.591 176.464 175.800 0.120 0.000 0.848 33 F CA 0.848 58.917 58.000 0.116 0.000 1.059 33 F CB -2.124 36.914 39.000 0.064 0.000 1.191 33 F HN 0.636 nan 8.300 nan 0.000 0.514 34 Q N -0.431 119.550 119.800 0.302 0.000 2.354 34 Q HA 0.474 4.814 4.340 -0.000 0.000 0.244 34 Q C 0.258 176.444 176.000 0.309 0.000 0.969 34 Q CA -0.579 55.356 55.803 0.221 0.000 0.885 34 Q CB 1.596 30.380 28.738 0.077 0.000 1.241 34 Q HN 0.086 nan 8.270 nan 0.000 0.461 35 V N 2.569 122.609 119.914 0.211 0.000 2.655 35 V HA 0.030 4.150 4.120 -0.000 0.000 0.300 35 V C 0.370 176.621 176.094 0.262 0.000 1.044 35 V CA 0.246 62.658 62.300 0.187 0.000 1.095 35 V CB 0.784 32.678 31.823 0.117 0.000 0.952 35 V HN 0.900 nan 8.190 nan 0.000 0.485 36 S N 3.426 119.236 115.700 0.184 0.000 2.739 36 S HA 0.521 4.990 4.470 -0.000 0.000 0.306 36 S C -0.435 174.245 174.600 0.133 0.000 1.115 36 S CA -0.875 57.413 58.200 0.147 0.000 0.985 36 S CB 1.528 64.493 63.200 -0.391 0.000 1.133 36 S HN 0.750 nan 8.310 nan 0.000 0.541 37 N N 0.736 119.566 118.700 0.216 0.000 2.716 37 N HA 0.370 5.110 4.740 -0.000 0.000 0.253 37 N C -2.407 173.257 175.510 0.258 0.000 1.170 37 N CA -2.010 51.155 53.050 0.191 0.000 0.807 37 N CB 1.302 39.885 38.487 0.160 0.000 1.183 37 N HN 0.277 nan 8.380 nan 0.000 0.524 38 P HA -0.234 nan 4.420 nan 0.000 0.214 38 P C 1.242 178.725 177.300 0.305 0.000 1.169 38 P CA 1.189 64.460 63.100 0.285 0.000 0.908 38 P CB 0.214 32.005 31.700 0.151 0.000 0.791 39 R N -0.555 120.105 120.500 0.267 0.000 2.103 39 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 39 R C 2.145 178.463 176.300 0.031 0.000 1.142 39 R CA 1.482 57.664 56.100 0.136 0.000 0.960 39 R CB -1.099 29.253 30.300 0.088 0.000 0.858 39 R HN 0.076 nan 8.270 nan 0.000 0.439 40 L N 0.497 121.759 121.223 0.065 0.000 2.093 40 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 40 L C 2.221 179.106 176.870 0.025 0.000 1.085 40 L CA 2.042 56.909 54.840 0.045 0.000 0.755 40 L CB -0.639 41.464 42.059 0.073 0.000 0.904 40 L HN 0.253 nan 8.230 nan 0.000 0.435 41 A N -0.394 122.436 122.820 0.017 0.000 1.902 41 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 41 A C 2.463 180.000 177.584 -0.078 0.000 1.181 41 A CA 1.837 53.818 52.037 -0.094 0.000 0.623 41 A CB -1.161 17.611 19.000 -0.379 0.000 0.818 41 A HN 0.564 nan 8.150 nan 0.000 0.443 42 A N -0.246 122.544 122.820 -0.051 0.000 1.877 42 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 42 A C 2.108 179.651 177.584 -0.068 0.000 1.186 42 A CA 1.830 53.818 52.037 -0.080 0.000 0.620 42 A CB -0.385 18.460 19.000 -0.258 0.000 0.822 42 A HN 0.354 nan 8.150 nan 0.000 0.443 43 K N -0.067 120.293 120.400 -0.067 0.000 2.057 43 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 43 K C 2.157 178.778 176.600 0.035 0.000 1.049 43 K CA 1.733 58.008 56.287 -0.022 0.000 0.931 43 K CB -0.613 31.876 32.500 -0.020 0.000 0.714 43 K HN 0.706 nan 8.250 nan 0.000 0.440 44 Q N -0.430 119.388 119.800 0.030 0.000 2.096 44 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 44 Q C 2.213 178.231 176.000 0.032 0.000 0.982 44 Q CA 1.660 57.495 55.803 0.053 0.000 0.850 44 Q CB -0.384 28.383 28.738 0.049 0.000 0.901 44 Q HN 0.486 nan 8.270 nan 0.000 0.422 45 G N 0.661 109.462 108.800 0.002 0.000 2.402 45 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 45 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 45 G C 1.373 176.267 174.900 -0.010 0.000 1.162 45 G CA 0.471 45.558 45.100 -0.021 0.000 0.777 45 G HN 0.178 nan 8.290 nan 0.000 0.539 46 L N -0.096 121.156 121.223 0.048 0.000 2.141 46 L HA 0.062 4.402 4.340 -0.000 0.000 0.209 46 L C 2.822 179.817 176.870 0.209 0.000 1.094 46 L CA 0.293 55.220 54.840 0.146 0.000 0.763 46 L CB -0.269 41.896 42.059 0.177 0.000 0.908 46 L HN 0.177 nan 8.230 nan 0.000 0.437 47 L N -0.350 120.974 121.223 0.169 0.000 2.093 47 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 47 L C 2.787 179.635 176.870 -0.035 0.000 1.085 47 L CA 1.128 56.050 54.840 0.138 0.000 0.755 47 L CB -0.473 41.693 42.059 0.179 0.000 0.904 47 L HN 0.241 nan 8.230 nan 0.000 0.435 48 K N 0.327 120.598 120.400 -0.215 0.000 2.025 48 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 48 K C 2.118 178.470 176.600 -0.414 0.000 1.049 48 K CA 1.427 57.291 56.287 -0.705 0.000 0.933 48 K CB -0.075 31.961 32.500 -0.774 0.000 0.714 48 K HN 0.224 nan 8.250 nan 0.000 0.438 49 M N 0.706 120.179 119.600 -0.210 0.000 2.084 49 M HA -0.230 4.249 4.480 -0.000 0.000 0.259 49 M C 2.319 178.540 176.300 -0.132 0.000 1.072 49 M CA 1.908 57.130 55.300 -0.131 0.000 1.107 49 M CB -0.406 32.166 32.600 -0.048 0.000 1.299 49 M HN -0.044 nan 8.290 nan 0.000 0.413 50 K N 0.630 120.932 120.400 -0.163 0.000 2.063 50 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 50 K C 1.753 178.225 176.600 -0.213 0.000 1.048 50 K CA 1.949 58.045 56.287 -0.318 0.000 0.928 50 K CB -0.604 31.367 32.500 -0.881 0.000 0.713 50 K HN 0.331 nan 8.250 nan 0.000 0.442 51 A N 0.454 123.203 122.820 -0.119 0.000 1.902 51 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 51 A C 2.276 179.913 177.584 0.087 0.000 1.181 51 A CA 1.582 53.644 52.037 0.041 0.000 0.623 51 A CB -0.650 18.526 19.000 0.294 0.000 0.818 51 A HN 0.321 nan 8.150 nan 0.000 0.443 52 L N -0.921 120.324 121.223 0.037 0.000 2.093 52 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 52 L C 3.113 180.089 176.870 0.176 0.000 1.085 52 L CA 0.906 55.825 54.840 0.132 0.000 0.755 52 L CB -0.535 41.510 42.059 -0.023 0.000 0.904 52 L HN 0.460 nan 8.230 nan 0.000 0.435 53 A N 0.065 122.904 122.820 0.031 0.000 1.883 53 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 53 A C 1.899 179.468 177.584 -0.025 0.000 1.186 53 A CA 2.058 54.090 52.037 -0.007 0.000 0.624 53 A CB -0.566 18.396 19.000 -0.063 0.000 0.822 53 A HN 0.356 nan 8.150 nan 0.000 0.444 54 D N 0.102 120.480 120.400 -0.037 0.000 2.178 54 D HA -0.048 4.591 4.640 -0.000 0.000 0.201 54 D C 1.937 178.219 176.300 -0.031 0.000 0.980 54 D CA 1.406 55.379 54.000 -0.045 0.000 0.842 54 D CB -0.371 40.396 40.800 -0.054 0.000 0.948 54 D HN 0.453 nan 8.370 nan 0.000 0.472 55 A N -0.320 122.519 122.820 0.032 0.000 2.239 55 A HA 0.339 4.659 4.320 -0.000 0.000 0.209 55 A C 1.750 179.190 177.584 -0.240 0.000 1.171 55 A CA 1.240 53.288 52.037 0.018 0.000 0.768 55 A CB -0.228 18.935 19.000 0.271 0.000 0.790 55 A HN 0.283 nan 8.150 nan 0.000 0.478 56 G N -2.349 106.301 108.800 -0.249 0.000 2.144 56 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 56 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 56 G C -0.135 174.413 174.900 -0.586 0.000 0.988 56 G CA -0.102 44.740 45.100 -0.430 0.000 0.659 56 G HN 0.360 nan 8.290 nan 0.000 0.522 57 F N 1.476 121.343 119.950 -0.138 0.000 2.361 57 F HA 0.483 5.009 4.527 -0.001 0.000 0.364 57 F C -1.724 173.992 175.800 -0.141 0.000 1.120 57 F CA -2.442 55.471 58.000 -0.145 0.000 1.102 57 F CB 1.416 40.365 39.000 -0.086 0.000 1.183 57 F HN -0.178 nan 8.300 nan 0.000 0.476 58 P HA -0.091 nan 4.420 nan 0.000 0.259 58 P C -0.834 176.448 177.300 -0.030 0.000 1.163 58 P CA 0.430 63.522 63.100 -0.012 0.000 0.760 58 P CB 0.458 32.203 31.700 0.076 0.000 0.762 59 Q N 2.679 122.422 119.800 -0.094 0.000 2.389 59 Q HA 0.776 5.116 4.340 -0.000 0.000 0.277 59 Q C -1.732 174.098 176.000 -0.285 0.000 1.082 59 Q CA -0.795 54.910 55.803 -0.164 0.000 0.810 59 Q CB 2.068 30.750 28.738 -0.093 0.000 1.374 59 Q HN 0.449 nan 8.270 nan 0.000 0.422 60 A N 1.782 124.341 122.820 -0.435 0.000 2.552 60 A HA 0.898 5.217 4.320 -0.000 0.000 0.288 60 A C -1.636 175.796 177.584 -0.253 0.000 1.193 60 A CA -0.347 51.391 52.037 -0.498 0.000 0.713 60 A CB 1.621 19.927 19.000 -1.156 0.000 1.305 60 A HN 0.793 nan 8.150 nan 0.000 0.424 61 V N 0.191 120.039 119.914 -0.110 0.000 2.876 61 V HA 0.734 4.854 4.120 -0.000 0.000 0.312 61 V C -1.475 174.679 176.094 0.101 0.000 1.085 61 V CA -0.711 61.598 62.300 0.015 0.000 0.945 61 V CB 1.703 33.517 31.823 -0.015 0.000 1.017 61 V HN 0.707 nan 8.190 nan 0.000 0.428 62 I N 7.680 128.320 120.570 0.116 0.000 2.418 62 I HA 0.469 4.638 4.170 -0.000 0.000 0.287 62 I C -2.318 173.853 176.117 0.090 0.000 1.008 62 I CA -1.923 59.446 61.300 0.115 0.000 1.104 62 I CB 2.539 40.627 38.000 0.146 0.000 1.264 62 I HN 0.535 nan 8.210 nan 0.000 0.438 63 P HA 0.271 nan 4.420 nan 0.000 0.274 63 P C -2.713 174.729 177.300 0.236 0.000 1.256 63 P CA -1.265 61.912 63.100 0.127 0.000 0.795 63 P CB 0.164 31.938 31.700 0.124 0.000 1.038 64 P HA 0.243 nan 4.420 nan 0.000 0.289 64 P C -0.186 177.389 177.300 0.459 0.000 1.299 64 P CA -0.118 63.136 63.100 0.255 0.000 0.766 64 P CB 0.888 32.700 31.700 0.187 0.000 1.226 65 H N -1.967 117.157 119.070 0.090 0.000 2.684 65 H HA 0.262 4.818 4.556 -0.000 0.000 0.328 65 H C 0.007 175.303 175.328 -0.053 0.000 1.350 65 H CA -0.885 55.224 56.048 0.103 0.000 1.383 65 H CB 1.017 30.787 29.762 0.015 0.000 1.817 65 H HN 0.442 nan 8.280 nan 0.000 0.685 66 E N 1.648 121.919 120.200 0.118 0.000 2.265 66 E HA 0.056 4.406 4.350 -0.000 0.000 0.272 66 E C -0.745 175.939 176.600 0.140 0.000 1.067 66 E CA -0.315 56.145 56.400 0.100 0.000 0.900 66 E CB 0.280 30.206 29.700 0.376 0.000 1.017 66 E HN 0.302 nan 8.360 nan 0.000 0.431 67 R N 4.537 125.062 120.500 0.042 0.000 2.548 67 R HA 0.338 4.677 4.340 -0.000 0.000 0.280 67 R C -2.720 173.565 176.300 -0.025 0.000 1.061 67 R CA -2.176 53.954 56.100 0.050 0.000 0.915 67 R CB 1.357 31.670 30.300 0.022 0.000 1.210 67 R HN 0.473 nan 8.270 nan 0.000 0.442 68 P HA 0.076 nan 4.420 nan 0.000 0.269 68 P C -0.551 176.840 177.300 0.151 0.000 1.209 68 P CA -0.175 62.956 63.100 0.052 0.000 0.776 68 P CB 0.310 32.007 31.700 -0.005 0.000 0.876 69 F N 4.293 124.249 119.950 0.010 0.000 2.451 69 F HA 0.161 4.688 4.527 -0.000 0.000 0.356 69 F C 1.063 176.882 175.800 0.031 0.000 1.178 69 F CA -0.498 57.523 58.000 0.035 0.000 1.210 69 F CB -0.343 38.690 39.000 0.056 0.000 1.504 69 F HN 0.162 nan 8.300 nan 0.000 0.598 70 I N 6.035 126.503 120.570 -0.170 0.000 2.264 70 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 70 I C -0.447 175.504 176.117 -0.277 0.000 1.111 70 I CA 0.863 62.055 61.300 -0.179 0.000 1.382 70 I CB -2.140 35.788 38.000 -0.121 0.000 1.060 70 I HN 0.342 nan 8.210 nan 0.000 0.418 71 P HA -0.117 nan 4.420 nan 0.000 0.216 71 P C 2.228 179.372 177.300 -0.260 0.000 1.150 71 P CA 1.123 63.958 63.100 -0.442 0.000 0.843 71 P CB 0.036 31.321 31.700 -0.691 0.000 0.787 72 V N -0.882 118.886 119.914 -0.243 0.000 2.427 72 V HA -0.190 3.929 4.120 -0.000 0.000 0.248 72 V C 2.362 178.471 176.094 0.025 0.000 1.051 72 V CA 1.454 63.769 62.300 0.025 0.000 1.048 72 V CB -1.127 30.828 31.823 0.219 0.000 0.666 72 V HN 0.092 nan 8.190 nan 0.000 0.456 73 L N -0.616 120.606 121.223 -0.002 0.000 2.093 73 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 73 L C 2.805 179.754 176.870 0.132 0.000 1.085 73 L CA 1.517 56.384 54.840 0.044 0.000 0.755 73 L CB -0.599 41.443 42.059 -0.028 0.000 0.904 73 L HN 0.242 nan 8.230 nan 0.000 0.435 74 R N -0.141 120.384 120.500 0.041 0.000 2.075 74 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 74 R C 2.221 178.523 176.300 0.004 0.000 1.126 74 R CA 1.337 57.457 56.100 0.034 0.000 0.963 74 R CB -0.350 29.943 30.300 -0.012 0.000 0.858 74 R HN 0.429 nan 8.270 nan 0.000 0.435 75 Q N 1.021 120.816 119.800 -0.008 0.000 2.291 75 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 75 Q C 1.541 177.513 176.000 -0.047 0.000 0.976 75 Q CA 1.002 56.795 55.803 -0.016 0.000 0.875 75 Q CB 0.093 28.838 28.738 0.012 0.000 0.927 75 Q HN 0.355 nan 8.270 nan 0.000 0.450 76 L N -1.317 119.878 121.223 -0.048 0.000 2.592 76 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 76 L C 1.158 177.900 176.870 -0.213 0.000 1.127 76 L CA 0.528 55.289 54.840 -0.132 0.000 0.884 76 L CB 0.336 42.276 42.059 -0.199 0.000 1.065 76 L HN 0.521 nan 8.230 nan 0.000 0.457 77 G N -0.456 108.232 108.800 -0.188 0.000 2.211 77 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.201 77 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.201 77 G C 0.028 174.680 174.900 -0.413 0.000 0.997 77 G CA -0.667 44.233 45.100 -0.334 0.000 0.652 77 G HN 0.140 nan 8.290 nan 0.000 0.500 78 F N 3.224 123.142 119.950 -0.053 0.000 2.390 78 F HA 0.611 5.137 4.527 -0.000 0.000 0.361 78 F C 1.074 176.854 175.800 -0.035 0.000 1.124 78 F CA -0.081 57.900 58.000 -0.033 0.000 1.149 78 F CB 1.368 40.352 39.000 -0.028 0.000 1.160 78 F HN 0.252 nan 8.300 nan 0.000 0.501 79 S N 2.035 117.787 115.700 0.087 0.000 2.767 79 S HA 0.988 5.458 4.470 -0.000 0.000 0.300 79 S C 0.111 174.740 174.600 0.049 0.000 1.123 79 S CA -0.179 58.049 58.200 0.046 0.000 0.992 79 S CB 1.729 64.933 63.200 0.008 0.000 1.138 79 S HN 1.398 nan 8.310 nan 0.000 0.550 80 G N 0.469 109.284 108.800 0.025 0.000 2.434 80 G HA2 0.194 4.154 3.960 -0.000 0.000 0.671 80 G HA3 0.194 4.154 3.960 -0.000 0.000 0.671 80 G C -0.225 174.682 174.900 0.012 0.000 1.280 80 G CA -0.401 44.711 45.100 0.020 0.000 0.975 80 G HN 1.948 nan 8.290 nan 0.000 0.510 81 S N -0.221 115.483 115.700 0.007 0.000 2.580 81 S HA 0.322 4.792 4.470 -0.000 0.000 0.266 81 S C 1.100 175.697 174.600 -0.004 0.000 1.354 81 S CA 0.883 59.083 58.200 0.001 0.000 1.008 81 S CB 1.010 64.210 63.200 0.000 0.000 0.898 81 S HN 0.626 nan 8.310 nan 0.000 0.555 82 D N 1.094 121.486 120.400 -0.012 0.000 2.133 82 D HA -0.153 4.487 4.640 -0.000 0.000 0.192 82 D C 1.825 178.108 176.300 -0.027 0.000 1.001 82 D CA 1.941 55.926 54.000 -0.025 0.000 0.844 82 D CB -0.349 40.432 40.800 -0.032 0.000 0.944 82 D HN 0.808 nan 8.370 nan 0.000 0.447 83 E N 0.123 120.309 120.200 -0.024 0.000 2.274 83 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 83 E C 2.093 178.683 176.600 -0.017 0.000 0.996 83 E CA 0.382 56.767 56.400 -0.026 0.000 0.840 83 E CB 0.005 29.690 29.700 -0.024 0.000 0.772 83 E HN 0.453 nan 8.360 nan 0.000 0.491 84 Q N 0.206 120.002 119.800 -0.006 0.000 2.096 84 Q HA -0.068 4.272 4.340 -0.000 0.000 0.197 84 Q C 2.395 178.404 176.000 0.016 0.000 0.964 84 Q CA 0.849 56.657 55.803 0.007 0.000 0.838 84 Q CB 0.145 28.893 28.738 0.016 0.000 0.906 84 Q HN 0.118 nan 8.270 nan 0.000 0.444 85 V N 1.236 121.159 119.914 0.015 0.000 2.255 85 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 85 V C 2.223 178.293 176.094 -0.040 0.000 1.051 85 V CA 1.431 63.745 62.300 0.023 0.000 1.018 85 V CB -0.563 31.269 31.823 0.016 0.000 0.641 85 V HN 0.280 nan 8.190 nan 0.000 0.445 86 L N 0.148 121.340 121.223 -0.052 0.000 1.997 86 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 86 L C 2.489 179.316 176.870 -0.072 0.000 1.074 86 L CA 2.072 56.867 54.840 -0.074 0.000 0.763 86 L CB -0.895 41.128 42.059 -0.061 0.000 0.890 86 L HN 0.422 nan 8.230 nan 0.000 0.434 87 E N -0.884 119.291 120.200 -0.041 0.000 2.031 87 E HA -0.264 4.085 4.350 -0.000 0.000 0.193 87 E C 2.143 178.732 176.600 -0.018 0.000 0.994 87 E CA 1.573 57.957 56.400 -0.027 0.000 0.800 87 E CB -0.154 29.539 29.700 -0.010 0.000 0.752 87 E HN 0.495 nan 8.360 nan 0.000 0.447 88 K N 0.495 120.903 120.400 0.013 0.000 2.074 88 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 88 K C 2.235 178.840 176.600 0.010 0.000 1.048 88 K CA 1.447 57.779 56.287 0.074 0.000 0.926 88 K CB -0.243 32.371 32.500 0.190 0.000 0.713 88 K HN -0.004 nan 8.250 nan 0.000 0.444 89 V N 1.467 121.265 119.914 -0.193 0.000 2.295 89 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 89 V C 2.427 178.413 176.094 -0.181 0.000 1.049 89 V CA 2.046 64.089 62.300 -0.428 0.000 1.024 89 V CB -0.826 30.679 31.823 -0.530 0.000 0.648 89 V HN 0.385 nan 8.190 nan 0.000 0.447 90 A N 0.214 122.963 122.820 -0.117 0.000 1.948 90 A HA -0.265 4.054 4.320 -0.000 0.000 0.220 90 A C 2.357 179.918 177.584 -0.038 0.000 1.177 90 A CA 2.252 54.245 52.037 -0.073 0.000 0.636 90 A CB -0.430 18.532 19.000 -0.063 0.000 0.815 90 A HN 0.589 nan 8.150 nan 0.000 0.449 91 R N -1.167 119.324 120.500 -0.015 0.000 2.112 91 R HA 0.051 4.391 4.340 -0.000 0.000 0.216 91 R C 2.373 178.702 176.300 0.047 0.000 1.080 91 R CA 1.293 57.402 56.100 0.014 0.000 0.996 91 R CB -0.206 30.109 30.300 0.024 0.000 0.902 91 R HN 0.645 nan 8.270 nan 0.000 0.449 92 Q N -0.393 119.459 119.800 0.086 0.000 2.165 92 Q HA 0.216 4.556 4.340 -0.000 0.000 0.197 92 Q C 0.068 176.173 176.000 0.174 0.000 0.952 92 Q CA 0.913 56.816 55.803 0.166 0.000 0.848 92 Q CB 0.762 29.691 28.738 0.318 0.000 0.931 92 Q HN 0.223 nan 8.270 nan 0.000 0.470 93 A N 0.926 123.812 122.820 0.109 0.000 3.277 93 A HA 0.238 4.557 4.320 -0.000 0.000 0.281 93 A C -2.265 175.228 177.584 -0.151 0.000 1.179 93 A CA -0.870 51.194 52.037 0.046 0.000 0.879 93 A CB 0.484 19.630 19.000 0.244 0.000 1.374 93 A HN -0.041 nan 8.150 nan 0.000 0.590 94 P HA -0.249 nan 4.420 nan 0.000 0.219 94 P C 1.145 178.404 177.300 -0.069 0.000 1.146 94 P CA 1.944 64.998 63.100 -0.077 0.000 0.808 94 P CB -0.250 31.428 31.700 -0.036 0.000 0.779 95 H N -2.909 116.107 119.070 -0.090 0.000 2.456 95 H HA -0.085 4.471 4.556 -0.000 0.000 0.296 95 H C 1.879 177.184 175.328 -0.037 0.000 1.079 95 H CA 0.908 56.895 56.048 -0.102 0.000 1.322 95 H CB -1.532 28.087 29.762 -0.239 0.000 1.388 95 H HN 0.197 nan 8.280 nan 0.000 0.538 96 W N 0.743 121.783 121.300 -0.434 0.000 2.402 96 W HA 0.024 4.684 4.660 -0.000 0.000 0.286 96 W C 1.917 178.411 176.519 -0.043 0.000 1.221 96 W CA 0.193 57.432 57.345 -0.177 0.000 1.257 96 W CB 0.002 29.301 29.460 -0.268 0.000 1.120 96 W HN 0.188 nan 8.180 nan 0.000 0.551 97 L N -0.443 120.849 121.223 0.115 0.000 2.012 97 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 97 L C 2.551 179.474 176.870 0.089 0.000 1.073 97 L CA 1.341 56.212 54.840 0.052 0.000 0.748 97 L CB -0.906 41.134 42.059 -0.032 0.000 0.891 97 L HN -0.118 nan 8.230 nan 0.000 0.431 98 S N -0.965 114.815 115.700 0.132 0.000 2.368 98 S HA -0.165 4.304 4.470 -0.000 0.000 0.225 98 S C 2.136 176.896 174.600 0.266 0.000 1.030 98 S CA 1.463 59.800 58.200 0.228 0.000 0.999 98 S CB -0.061 63.344 63.200 0.342 0.000 0.844 98 S HN 0.360 nan 8.310 nan 0.000 0.459 99 S N 0.908 116.781 115.700 0.289 0.000 2.419 99 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 99 S C 1.639 176.378 174.600 0.232 0.000 1.019 99 S CA 1.344 59.744 58.200 0.332 0.000 0.982 99 S CB -0.161 63.427 63.200 0.647 0.000 0.789 99 S HN 0.591 nan 8.310 nan 0.000 0.490 100 V N -2.238 117.812 119.914 0.226 0.000 3.376 100 V HA 0.446 4.565 4.120 -0.000 0.000 0.313 100 V C 0.482 176.676 176.094 0.167 0.000 1.393 100 V CA -0.038 62.373 62.300 0.185 0.000 1.125 100 V CB 0.519 32.466 31.823 0.206 0.000 1.037 100 V HN 0.202 nan 8.190 nan 0.000 0.440 101 S N 0.031 115.826 115.700 0.158 0.000 2.846 101 S HA 0.307 4.777 4.470 -0.000 0.000 0.249 101 S C 0.594 175.327 174.600 0.222 0.000 1.028 101 S CA 0.157 58.431 58.200 0.122 0.000 1.043 101 S CB 0.449 63.651 63.200 0.003 0.000 0.990 101 S HN 0.575 nan 8.310 nan 0.000 0.564 102 S N 1.664 117.498 115.700 0.223 0.000 2.580 102 S HA 0.541 5.011 4.470 -0.000 0.000 0.274 102 S C 0.932 175.568 174.600 0.060 0.000 1.329 102 S CA -0.268 58.033 58.200 0.169 0.000 1.036 102 S CB 0.943 64.261 63.200 0.197 0.000 0.919 102 S HN 0.453 nan 8.310 nan 0.000 0.515 103 A N 3.370 126.186 122.820 -0.006 0.000 2.370 103 A HA 0.215 4.534 4.320 -0.000 0.000 0.238 103 A C 1.879 179.286 177.584 -0.295 0.000 1.289 103 A CA 0.487 52.453 52.037 -0.117 0.000 0.885 103 A CB -0.860 18.091 19.000 -0.081 0.000 0.961 103 A HN 1.086 nan 8.150 nan 0.000 0.499 104 S N 1.391 117.007 115.700 -0.139 0.000 2.407 104 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 104 S C -0.336 174.169 174.600 -0.159 0.000 1.036 104 S CA 1.455 59.623 58.200 -0.053 0.000 1.013 104 S CB -1.485 61.924 63.200 0.349 0.000 0.820 104 S HN 0.521 nan 8.310 nan 0.000 0.476 105 P HA -0.109 nan 4.420 nan 0.000 0.228 105 P C 1.761 178.909 177.300 -0.253 0.000 1.151 105 P CA 1.071 63.979 63.100 -0.320 0.000 0.770 105 P CB -0.515 30.672 31.700 -0.854 0.000 0.786 106 M N -3.695 115.657 119.600 -0.413 0.000 2.267 106 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 106 M C 0.528 176.622 176.300 -0.343 0.000 1.063 106 M CA 1.493 56.529 55.300 -0.439 0.000 1.090 106 M CB -0.924 31.259 32.600 -0.694 0.000 1.392 106 M HN -0.167 nan 8.290 nan 0.000 0.422 107 W N 3.739 125.060 121.300 0.036 0.000 1.864 107 W HA 0.339 4.998 4.660 -0.000 0.000 0.425 107 W C 1.234 177.775 176.519 0.037 0.000 0.791 107 W CA -0.732 56.647 57.345 0.058 0.000 1.650 107 W CB -0.572 28.948 29.460 0.101 0.000 1.791 107 W HN 0.164 nan 8.180 nan 0.000 0.266 108 V N 0.522 120.534 119.914 0.163 0.000 3.241 108 V HA -0.130 3.989 4.120 -0.000 0.000 0.269 108 V C 1.926 178.079 176.094 0.100 0.000 1.151 108 V CA 1.648 64.016 62.300 0.114 0.000 1.158 108 V CB -0.969 30.915 31.823 0.102 0.000 0.764 108 V HN 0.308 nan 8.190 nan 0.000 0.508 109 A N 1.256 124.150 122.820 0.123 0.000 2.070 109 A HA -0.124 4.195 4.320 -0.000 0.000 0.220 109 A C 1.801 179.388 177.584 0.004 0.000 1.159 109 A CA 1.982 54.055 52.037 0.059 0.000 0.656 109 A CB -0.842 18.192 19.000 0.056 0.000 0.800 109 A HN 0.718 nan 8.150 nan 0.000 0.453 110 N N -0.825 117.894 118.700 0.033 0.000 2.230 110 N HA 0.354 5.093 4.740 -0.000 0.000 0.202 110 N C 1.336 176.865 175.510 0.031 0.000 1.119 110 N CA 0.473 53.522 53.050 -0.001 0.000 0.851 110 N CB 0.306 38.808 38.487 0.025 0.000 0.990 110 N HN 0.398 nan 8.380 nan 0.000 0.497 111 A N 0.408 123.250 122.820 0.036 0.000 1.929 111 A HA 0.487 4.806 4.320 -0.000 0.000 0.216 111 A C 1.005 178.591 177.584 0.004 0.000 1.176 111 A CA 1.370 53.426 52.037 0.032 0.000 0.628 111 A CB 0.047 19.069 19.000 0.036 0.000 0.816 111 A HN 0.311 nan 8.150 nan 0.000 0.444 112 A N -3.206 119.600 122.820 -0.025 0.000 2.540 112 A HA 0.588 4.908 4.320 -0.000 0.000 0.291 112 A C -0.658 176.878 177.584 -0.080 0.000 1.083 112 A CA -0.094 51.915 52.037 -0.046 0.000 0.650 112 A CB 0.015 18.966 19.000 -0.081 0.000 1.292 112 A HN 0.149 nan 8.150 nan 0.000 0.435 113 T N 1.608 116.105 114.554 -0.094 0.000 2.797 113 T HA 0.603 4.953 4.350 -0.000 0.000 0.279 113 T C -0.382 174.191 174.700 -0.211 0.000 0.991 113 T CA -0.248 61.730 62.100 -0.204 0.000 0.979 113 T CB 0.656 69.434 68.868 -0.150 0.000 0.943 113 T HN 0.437 nan 8.240 nan 0.000 0.444 114 I N 2.299 122.694 120.570 -0.291 0.000 2.493 114 I HA 0.673 4.843 4.170 -0.000 0.000 0.298 114 I C 0.087 176.144 176.117 -0.099 0.000 0.998 114 I CA -1.316 59.880 61.300 -0.173 0.000 1.137 114 I CB 1.262 39.180 38.000 -0.137 0.000 1.310 114 I HN 0.725 nan 8.210 nan 0.000 0.445 115 A N 8.353 131.181 122.820 0.013 0.000 2.410 115 A HA 0.721 5.040 4.320 -0.000 0.000 0.289 115 A C -2.597 175.058 177.584 0.118 0.000 1.200 115 A CA -1.338 50.756 52.037 0.094 0.000 0.751 115 A CB 0.837 19.913 19.000 0.126 0.000 1.161 115 A HN 0.449 nan 8.150 nan 0.000 0.459 116 P HA 0.044 nan 4.420 nan 0.000 0.269 116 P C 1.097 178.475 177.300 0.130 0.000 1.215 116 P CA 0.228 63.401 63.100 0.122 0.000 0.780 116 P CB 1.022 32.799 31.700 0.128 0.000 0.898 117 S N 1.510 117.283 115.700 0.123 0.000 2.440 117 S HA -0.193 4.277 4.470 -0.000 0.000 0.240 117 S C 1.782 176.437 174.600 0.090 0.000 1.014 117 S CA 1.154 59.418 58.200 0.106 0.000 0.980 117 S CB -1.221 62.020 63.200 0.068 0.000 0.775 117 S HN 0.560 nan 8.310 nan 0.000 0.499 118 A N 0.907 123.783 122.820 0.093 0.000 2.206 118 A HA 0.137 4.457 4.320 -0.000 0.000 0.211 118 A C 1.295 178.925 177.584 0.077 0.000 1.158 118 A CA 0.905 52.990 52.037 0.081 0.000 0.761 118 A CB -0.154 18.901 19.000 0.093 0.000 0.801 118 A HN 0.473 nan 8.150 nan 0.000 0.473 119 D N -0.877 119.574 120.400 0.086 0.000 2.441 119 D HA 0.093 4.733 4.640 -0.000 0.000 0.210 119 D C 0.680 177.014 176.300 0.057 0.000 1.102 119 D CA 0.920 54.965 54.000 0.075 0.000 0.840 119 D CB 0.390 41.247 40.800 0.095 0.000 0.990 119 D HN 0.475 nan 8.370 nan 0.000 0.505 120 T N -1.925 112.666 114.554 0.062 0.000 2.929 120 T HA 0.419 4.768 4.350 -0.000 0.000 0.284 120 T C 1.494 176.209 174.700 0.025 0.000 1.014 120 T CA -0.696 61.420 62.100 0.028 0.000 1.051 120 T CB 1.586 70.499 68.868 0.076 0.000 1.028 120 T HN -0.154 nan 8.240 nan 0.000 0.485 121 L N 0.909 122.126 121.223 -0.009 0.000 2.201 121 L HA 0.035 4.374 4.340 -0.000 0.000 0.212 121 L C 1.905 178.795 176.870 0.034 0.000 1.105 121 L CA 1.246 56.089 54.840 0.006 0.000 0.775 121 L CB -0.414 41.636 42.059 -0.015 0.000 0.913 121 L HN 0.815 nan 8.230 nan 0.000 0.440 122 D N -1.079 119.365 120.400 0.072 0.000 2.402 122 D HA 0.084 4.724 4.640 -0.000 0.000 0.216 122 D C 1.357 177.712 176.300 0.092 0.000 1.128 122 D CA 0.424 54.480 54.000 0.093 0.000 0.833 122 D CB 0.199 41.082 40.800 0.139 0.000 0.971 122 D HN 0.158 nan 8.370 nan 0.000 0.503 123 G N 0.548 109.401 108.800 0.089 0.000 2.168 123 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.257 123 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.257 123 G C 0.178 175.117 174.900 0.064 0.000 0.997 123 G CA 0.646 45.787 45.100 0.068 0.000 0.708 123 G HN 0.492 nan 8.290 nan 0.000 0.520 124 K N -0.881 119.589 120.400 0.117 0.000 2.211 124 K HA 0.660 4.980 4.320 -0.000 0.000 0.237 124 K C 0.202 176.866 176.600 0.107 0.000 1.002 124 K CA -0.989 55.315 56.287 0.029 0.000 0.885 124 K CB 2.112 34.563 32.500 -0.081 0.000 1.136 124 K HN -0.011 nan 8.250 nan 0.000 0.448 125 V N 2.477 122.405 119.914 0.024 0.000 2.461 125 V HA 0.106 4.226 4.120 -0.000 0.000 0.275 125 V C -0.112 175.972 176.094 -0.017 0.000 1.047 125 V CA -0.245 62.123 62.300 0.114 0.000 0.955 125 V CB 0.440 32.426 31.823 0.272 0.000 0.988 125 V HN 0.584 nan 8.190 nan 0.000 0.471 126 H N 5.237 124.325 119.070 0.030 0.000 2.469 126 H HA 0.615 5.170 4.556 -0.000 0.000 0.342 126 H C -1.250 174.039 175.328 -0.063 0.000 1.115 126 H CA -0.659 55.401 56.048 0.020 0.000 1.204 126 H CB 2.174 32.026 29.762 0.150 0.000 1.492 126 H HN 0.355 nan 8.280 nan 0.000 0.499 127 L N 2.601 123.789 121.223 -0.058 0.000 2.439 127 L HA 0.250 4.590 4.340 -0.000 0.000 0.270 127 L C 0.082 176.939 176.870 -0.022 0.000 0.972 127 L CA -0.358 54.405 54.840 -0.128 0.000 0.836 127 L CB 1.978 43.827 42.059 -0.349 0.000 1.255 127 L HN 0.515 nan 8.230 nan 0.000 0.404 128 T N 2.193 116.780 114.554 0.055 0.000 2.770 128 T HA 0.521 4.871 4.350 -0.000 0.000 0.283 128 T C 0.173 174.896 174.700 0.039 0.000 0.988 128 T CA -0.491 61.676 62.100 0.111 0.000 0.957 128 T CB 1.447 70.406 68.868 0.152 0.000 0.930 128 T HN 0.200 nan 8.240 nan 0.000 0.443 129 V N 2.998 122.933 119.914 0.034 0.000 2.763 129 V HA 0.374 4.493 4.120 -0.000 0.000 0.306 129 V C 0.848 176.968 176.094 0.043 0.000 1.059 129 V CA -0.556 61.757 62.300 0.022 0.000 1.138 129 V CB 0.435 32.271 31.823 0.022 0.000 0.940 129 V HN 1.042 nan 8.190 nan 0.000 0.489 130 A N 3.643 126.488 122.820 0.042 0.000 2.301 130 A HA 0.453 4.773 4.320 -0.000 0.000 0.298 130 A C 1.061 178.683 177.584 0.063 0.000 1.185 130 A CA -0.424 51.647 52.037 0.058 0.000 0.830 130 A CB 0.191 19.224 19.000 0.055 0.000 1.112 130 A HN 0.998 nan 8.150 nan 0.000 0.508 131 N N 2.453 121.196 118.700 0.071 0.000 2.331 131 N HA -0.125 4.615 4.740 -0.000 0.000 0.180 131 N C 0.517 176.072 175.510 0.075 0.000 1.019 131 N CA 1.066 54.159 53.050 0.072 0.000 0.881 131 N CB -0.795 37.738 38.487 0.076 0.000 0.972 131 N HN 0.741 nan 8.380 nan 0.000 0.435 132 L N -0.080 121.194 121.223 0.085 0.000 3.737 132 L HA -0.270 4.070 4.340 -0.000 0.000 0.418 132 L C 1.202 178.124 176.870 0.088 0.000 1.216 132 L CA 0.460 55.353 54.840 0.088 0.000 0.915 132 L CB -2.004 40.090 42.059 0.057 0.000 1.834 132 L HN 0.464 nan 8.230 nan 0.000 0.943 133 N N 1.167 119.930 118.700 0.104 0.000 2.289 133 N HA -0.205 4.534 4.740 -0.000 0.000 0.184 133 N C 1.458 177.048 175.510 0.134 0.000 1.016 133 N CA 1.620 54.741 53.050 0.119 0.000 0.872 133 N CB 0.036 38.589 38.487 0.110 0.000 0.973 133 N HN 0.661 nan 8.380 nan 0.000 0.433 134 N N 0.573 119.350 118.700 0.127 0.000 2.104 134 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 134 N C -0.449 175.153 175.510 0.152 0.000 1.024 134 N CA 1.017 54.147 53.050 0.134 0.000 0.853 134 N CB 0.139 38.701 38.487 0.126 0.000 1.008 134 N HN 0.117 nan 8.380 nan 0.000 0.424 135 K N 0.734 121.211 120.400 0.128 0.000 2.307 135 K HA 0.070 4.390 4.320 -0.000 0.000 0.263 135 K C 0.426 177.139 176.600 0.187 0.000 0.973 135 K CA -0.618 55.767 56.287 0.163 0.000 0.846 135 K CB 0.928 33.464 32.500 0.061 0.000 1.100 135 K HN 0.039 nan 8.250 nan 0.000 0.438 136 F N 4.319 124.384 119.950 0.192 0.000 2.087 136 F HA -0.365 4.162 4.527 -0.000 0.000 0.299 136 F C 2.474 178.400 175.800 0.210 0.000 1.100 136 F CA 2.011 60.140 58.000 0.214 0.000 1.226 136 F CB 0.188 39.366 39.000 0.298 0.000 0.983 136 F HN 0.777 nan 8.300 nan 0.000 0.479 137 H N 0.216 119.246 119.070 -0.067 0.000 2.456 137 H HA -0.081 4.475 4.556 -0.000 0.000 0.296 137 H C 1.858 177.123 175.328 -0.106 0.000 1.079 137 H CA 1.576 57.516 56.048 -0.179 0.000 1.322 137 H CB -0.772 28.999 29.762 0.016 0.000 1.388 137 H HN 0.370 nan 8.280 nan 0.000 0.538 138 R N 0.862 121.026 120.500 -0.561 0.000 2.173 138 R HA 0.004 4.344 4.340 -0.000 0.000 0.208 138 R C 2.637 178.860 176.300 -0.129 0.000 1.035 138 R CA 0.887 56.796 56.100 -0.320 0.000 1.004 138 R CB -0.001 30.115 30.300 -0.308 0.000 0.917 138 R HN 0.487 nan 8.270 nan 0.000 0.462 139 S N 1.483 117.132 115.700 -0.085 0.000 2.419 139 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 139 S C 2.015 176.610 174.600 -0.007 0.000 1.016 139 S CA 0.848 59.053 58.200 0.009 0.000 0.974 139 S CB -0.461 62.803 63.200 0.107 0.000 0.786 139 S HN 0.232 nan 8.310 nan 0.000 0.492 140 L N 0.942 122.109 121.223 -0.094 0.000 2.456 140 L HA -0.007 4.333 4.340 -0.000 0.000 0.224 140 L C 2.624 179.455 176.870 -0.064 0.000 1.148 140 L CA 1.059 55.853 54.840 -0.078 0.000 0.825 140 L CB -0.650 41.314 42.059 -0.158 0.000 0.937 140 L HN 0.409 nan 8.230 nan 0.000 0.450 141 E N 0.604 120.786 120.200 -0.030 0.000 2.072 141 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 141 E C 2.428 179.085 176.600 0.095 0.000 0.982 141 E CA 0.928 57.366 56.400 0.063 0.000 0.803 141 E CB -0.161 29.558 29.700 0.030 0.000 0.755 141 E HN 0.476 nan 8.360 nan 0.000 0.453 142 A N 2.130 124.983 122.820 0.056 0.000 1.894 142 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 142 A C -0.237 177.361 177.584 0.023 0.000 1.237 142 A CA 2.182 54.247 52.037 0.047 0.000 0.660 142 A CB -1.843 17.186 19.000 0.049 0.000 0.835 142 A HN 0.167 nan 8.150 nan 0.000 0.461 143 P HA -0.113 nan 4.420 nan 0.000 0.215 143 P C 1.622 178.888 177.300 -0.056 0.000 1.157 143 P CA 1.612 64.713 63.100 0.001 0.000 0.874 143 P CB -0.142 31.580 31.700 0.037 0.000 0.790 144 V N -0.889 118.954 119.914 -0.119 0.000 2.453 144 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 144 V C 2.282 178.202 176.094 -0.290 0.000 1.048 144 V CA 2.303 64.438 62.300 -0.275 0.000 1.049 144 V CB -1.718 29.799 31.823 -0.510 0.000 0.672 144 V HN 0.188 nan 8.190 nan 0.000 0.457 145 T N -0.488 113.992 114.554 -0.123 0.000 2.746 145 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 145 T C 1.868 176.539 174.700 -0.048 0.000 1.039 145 T CA 1.852 63.946 62.100 -0.010 0.000 1.142 145 T CB -0.179 68.750 68.868 0.103 0.000 0.866 145 T HN 0.604 nan 8.240 nan 0.000 0.444 146 E N 0.583 120.755 120.200 -0.047 0.000 2.077 146 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 146 E C 2.370 178.925 176.600 -0.074 0.000 0.989 146 E CA 1.212 57.583 56.400 -0.048 0.000 0.800 146 E CB -0.044 29.639 29.700 -0.029 0.000 0.746 146 E HN 0.344 nan 8.360 nan 0.000 0.452 147 S N 0.639 116.274 115.700 -0.109 0.000 2.368 147 S HA -0.124 4.345 4.470 -0.000 0.000 0.225 147 S C 1.968 176.469 174.600 -0.165 0.000 1.030 147 S CA 0.852 58.968 58.200 -0.140 0.000 0.999 147 S CB -0.195 62.895 63.200 -0.183 0.000 0.844 147 S HN 0.264 nan 8.310 nan 0.000 0.459 148 L N 0.999 122.107 121.223 -0.191 0.000 2.017 148 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 148 L C 2.259 179.077 176.870 -0.087 0.000 1.073 148 L CA 1.105 55.843 54.840 -0.170 0.000 0.745 148 L CB -0.588 41.386 42.059 -0.142 0.000 0.894 148 L HN 0.296 nan 8.230 nan 0.000 0.432 149 L N -0.375 120.827 121.223 -0.035 0.000 2.083 149 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 149 L C 2.541 179.452 176.870 0.070 0.000 1.083 149 L CA 1.340 56.216 54.840 0.060 0.000 0.752 149 L CB -0.423 41.636 42.059 -0.000 0.000 0.899 149 L HN 0.249 nan 8.230 nan 0.000 0.433 150 K N -0.134 120.256 120.400 -0.016 0.000 2.288 150 K HA -0.023 4.297 4.320 -0.000 0.000 0.201 150 K C 2.018 178.594 176.600 -0.040 0.000 1.048 150 K CA 1.005 57.282 56.287 -0.018 0.000 0.956 150 K CB -0.035 32.441 32.500 -0.040 0.000 0.746 150 K HN 0.249 nan 8.250 nan 0.000 0.461 151 A N 0.624 123.394 122.820 -0.083 0.000 2.123 151 A HA 0.064 4.383 4.320 -0.000 0.000 0.214 151 A C 1.829 179.329 177.584 -0.140 0.000 1.152 151 A CA 0.638 52.610 52.037 -0.109 0.000 0.728 151 A CB -0.133 18.781 19.000 -0.144 0.000 0.814 151 A HN 0.113 nan 8.150 nan 0.000 0.464 152 I N -2.392 118.061 120.570 -0.195 0.000 2.729 152 I HA 0.079 4.249 4.170 -0.000 0.000 0.256 152 I C -0.059 175.692 176.117 -0.610 0.000 1.115 152 I CA 0.517 61.572 61.300 -0.407 0.000 1.446 152 I CB 0.178 37.850 38.000 -0.547 0.000 1.176 152 I HN 0.213 nan 8.210 nan 0.000 0.446 153 F N 1.493 121.253 119.950 -0.318 0.000 2.441 153 F HA 0.277 4.804 4.527 -0.001 0.000 0.337 153 F C 1.258 177.010 175.800 -0.079 0.000 1.182 153 F CA -0.225 57.444 58.000 -0.550 0.000 1.279 153 F CB -0.615 37.793 39.000 -0.987 0.000 1.614 153 F HN 0.010 nan 8.300 nan 0.000 0.574 154 N N 0.460 119.235 118.700 0.124 0.000 2.300 154 N HA -0.146 4.594 4.740 -0.000 0.000 0.179 154 N C 0.379 175.998 175.510 0.181 0.000 1.016 154 N CA 0.152 53.275 53.050 0.122 0.000 0.876 154 N CB 0.134 38.644 38.487 0.038 0.000 0.979 154 N HN 0.275 nan 8.380 nan 0.000 0.432 155 D N 1.849 122.421 120.400 0.287 0.000 2.357 155 D HA -0.040 4.600 4.640 -0.000 0.000 0.265 155 D C 0.377 176.718 176.300 0.068 0.000 1.334 155 D CA 0.377 54.457 54.000 0.134 0.000 0.984 155 D CB 0.463 41.293 40.800 0.051 0.000 1.077 155 D HN 0.261 nan 8.370 nan 0.000 0.514 156 E N 2.197 122.415 120.200 0.029 0.000 2.472 156 E HA -0.120 4.229 4.350 -0.000 0.000 0.200 156 E C 0.940 177.497 176.600 -0.072 0.000 1.046 156 E CA 0.496 56.889 56.400 -0.010 0.000 0.871 156 E CB 0.344 30.039 29.700 -0.009 0.000 0.806 156 E HN 0.628 nan 8.360 nan 0.000 0.533 157 E N 0.318 120.457 120.200 -0.101 0.000 2.442 157 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 157 E C 1.291 177.771 176.600 -0.199 0.000 1.030 157 E CA 0.495 56.824 56.400 -0.118 0.000 0.869 157 E CB 0.301 29.944 29.700 -0.095 0.000 0.857 157 E HN 0.139 nan 8.360 nan 0.000 0.505 158 K N -0.596 119.595 120.400 -0.348 0.000 2.474 158 K HA 0.189 4.509 4.320 -0.000 0.000 0.204 158 K C -0.081 176.091 176.600 -0.714 0.000 1.220 158 K CA 0.073 55.998 56.287 -0.604 0.000 0.966 158 K CB 0.964 32.917 32.500 -0.912 0.000 1.049 158 K HN -0.095 nan 8.250 nan 0.000 0.554 159 F N 0.703 120.609 119.950 -0.074 0.000 2.540 159 F HA 0.365 4.892 4.527 -0.000 0.000 0.317 159 F C -0.240 175.418 175.800 -0.237 0.000 1.104 159 F CA -1.151 56.766 58.000 -0.139 0.000 0.913 159 F CB 2.275 41.258 39.000 -0.028 0.000 1.170 159 F HN -0.327 nan 8.300 nan 0.000 0.450 160 S N 2.322 117.888 115.700 -0.223 0.000 2.669 160 S HA 0.510 4.979 4.470 -0.000 0.000 0.315 160 S C -0.673 173.584 174.600 -0.572 0.000 1.106 160 S CA -0.657 57.278 58.200 -0.442 0.000 1.107 160 S CB 1.340 64.108 63.200 -0.719 0.000 0.990 160 S HN 0.315 nan 8.310 nan 0.000 0.471 161 V N 5.553 125.206 119.914 -0.435 0.000 2.407 161 V HA 0.401 4.521 4.120 -0.000 0.000 0.278 161 V C -0.196 175.643 176.094 -0.425 0.000 1.037 161 V CA -0.582 61.495 62.300 -0.372 0.000 0.900 161 V CB 0.733 32.448 31.823 -0.180 0.000 0.983 161 V HN 0.765 nan 8.190 nan 0.000 0.459 162 H N 1.824 120.893 119.070 -0.002 0.000 2.492 162 H HA 0.473 5.028 4.556 -0.000 0.000 0.345 162 H C 0.048 175.382 175.328 0.010 0.000 1.136 162 H CA -0.622 55.438 56.048 0.019 0.000 1.202 162 H CB 1.933 31.724 29.762 0.048 0.000 1.524 162 H HN 0.577 nan 8.280 nan 0.000 0.506 163 S N 0.776 116.556 115.700 0.132 0.000 2.584 163 S HA 0.280 4.750 4.470 -0.000 0.000 0.270 163 S C 0.656 175.304 174.600 0.080 0.000 1.346 163 S CA -0.549 57.697 58.200 0.078 0.000 1.018 163 S CB 0.656 63.894 63.200 0.062 0.000 0.899 163 S HN 0.759 nan 8.310 nan 0.000 0.542 164 A N 1.940 124.796 122.820 0.060 0.000 2.466 164 A HA 0.361 4.681 4.320 -0.000 0.000 0.238 164 A C 0.370 177.988 177.584 0.056 0.000 1.074 164 A CA -0.379 51.694 52.037 0.060 0.000 0.774 164 A CB -0.235 18.799 19.000 0.056 0.000 1.015 164 A HN 0.766 nan 8.150 nan 0.000 0.498 165 L N 1.503 122.759 121.223 0.055 0.000 2.479 165 L HA 0.139 4.478 4.340 -0.000 0.000 0.270 165 L C -1.841 175.057 176.870 0.046 0.000 1.236 165 L CA -1.354 53.512 54.840 0.044 0.000 0.823 165 L CB -0.221 41.863 42.059 0.042 0.000 1.098 165 L HN 0.461 nan 8.230 nan 0.000 0.500 166 P HA -0.058 nan 4.420 nan 0.000 0.265 166 P C -0.943 176.388 177.300 0.052 0.000 1.187 166 P CA 0.060 63.185 63.100 0.041 0.000 0.766 166 P CB 0.281 31.999 31.700 0.030 0.000 0.820 167 Q N 2.200 122.037 119.800 0.061 0.000 2.815 167 Q HA 0.209 4.548 4.340 -0.000 0.000 0.235 167 Q C -0.128 175.915 176.000 0.073 0.000 1.354 167 Q CA 0.158 56.006 55.803 0.075 0.000 0.953 167 Q CB -0.292 28.501 28.738 0.091 0.000 1.613 167 Q HN 0.275 nan 8.270 nan 0.000 0.572 168 V N -3.098 116.856 119.914 0.066 0.000 3.049 168 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 168 V C 0.789 176.921 176.094 0.064 0.000 1.148 168 V CA -0.572 61.765 62.300 0.060 0.000 0.990 168 V CB 1.494 33.344 31.823 0.044 0.000 1.039 168 V HN 0.315 nan 8.190 nan 0.000 0.430 169 A N 1.820 124.679 122.820 0.065 0.000 1.978 169 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 169 A C 1.748 179.367 177.584 0.057 0.000 1.170 169 A CA 2.239 54.318 52.037 0.070 0.000 0.636 169 A CB -0.647 18.395 19.000 0.070 0.000 0.810 169 A HN 1.387 nan 8.150 nan 0.000 0.448 170 L N -1.006 120.242 121.223 0.041 0.000 2.191 170 L HA 0.030 4.369 4.340 -0.000 0.000 0.212 170 L C 1.118 178.000 176.870 0.020 0.000 1.103 170 L CA 1.612 56.467 54.840 0.024 0.000 0.769 170 L CB -0.182 41.884 42.059 0.012 0.000 0.908 170 L HN 0.358 nan 8.230 nan 0.000 0.438 171 L N -0.001 121.242 121.223 0.033 0.000 3.209 171 L HA 0.393 4.732 4.340 -0.000 0.000 0.279 171 L C 0.728 177.635 176.870 0.062 0.000 1.301 171 L CA -0.419 54.441 54.840 0.034 0.000 1.004 171 L CB -0.039 42.035 42.059 0.026 0.000 1.402 171 L HN 0.167 nan 8.230 nan 0.000 0.577 172 G N 0.059 108.905 108.800 0.078 0.000 2.313 172 G HA2 0.208 4.168 3.960 -0.000 0.000 0.250 172 G HA3 0.208 4.168 3.960 -0.000 0.000 0.250 172 G C -0.931 174.041 174.900 0.120 0.000 1.281 172 G CA 0.209 45.371 45.100 0.104 0.000 0.917 172 G HN 0.247 nan 8.290 nan 0.000 0.501 173 D N 0.881 121.356 120.400 0.125 0.000 2.863 173 D HA 0.296 4.936 4.640 -0.000 0.000 0.245 173 D C 0.330 176.712 176.300 0.137 0.000 1.211 173 D CA -0.626 53.456 54.000 0.137 0.000 0.888 173 D CB 1.559 42.428 40.800 0.116 0.000 1.483 173 D HN 0.231 nan 8.370 nan 0.000 0.533 174 E N 2.263 122.552 120.200 0.148 0.000 2.624 174 E HA 0.319 4.669 4.350 -0.000 0.000 0.210 174 E C 1.082 177.691 176.600 0.015 0.000 0.997 174 E CA 0.021 56.487 56.400 0.111 0.000 0.999 174 E CB 0.651 30.475 29.700 0.206 0.000 1.040 174 E HN 0.792 nan 8.360 nan 0.000 0.469 175 G N 1.927 110.758 108.800 0.052 0.000 2.564 175 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.273 175 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.273 175 G C 1.107 175.998 174.900 -0.015 0.000 1.242 175 G CA 0.581 45.688 45.100 0.013 0.000 0.951 175 G HN 0.365 nan 8.290 nan 0.000 0.564 176 A N -0.648 122.143 122.820 -0.049 0.000 2.032 176 A HA 0.197 4.516 4.320 -0.000 0.000 0.221 176 A C 2.965 180.546 177.584 -0.005 0.000 1.165 176 A CA 3.371 55.392 52.037 -0.026 0.000 0.645 176 A CB -0.964 18.019 19.000 -0.029 0.000 0.807 176 A HN 2.393 nan 8.150 nan 0.000 0.453 177 A N -0.385 122.388 122.820 -0.078 0.000 2.125 177 A HA -0.160 4.159 4.320 -0.000 0.000 0.219 177 A C 1.530 179.081 177.584 -0.054 0.000 1.156 177 A CA 1.593 53.552 52.037 -0.130 0.000 0.671 177 A CB -0.575 18.184 19.000 -0.402 0.000 0.794 177 A HN 0.723 nan 8.150 nan 0.000 0.459 178 N N -1.770 116.936 118.700 0.010 0.000 2.204 178 N HA 0.100 4.839 4.740 -0.000 0.000 0.219 178 N C -0.016 175.544 175.510 0.085 0.000 1.151 178 N CA -0.148 52.952 53.050 0.083 0.000 0.867 178 N CB 0.328 38.911 38.487 0.160 0.000 1.043 178 N HN 0.565 nan 8.380 nan 0.000 0.516 179 H N 0.632 119.639 119.070 -0.106 0.000 2.567 179 H HA 0.442 4.998 4.556 -0.000 0.000 0.345 179 H C -0.900 174.335 175.328 -0.154 0.000 1.169 179 H CA -0.335 55.563 56.048 -0.249 0.000 1.227 179 H CB 1.093 30.652 29.762 -0.338 0.000 1.607 179 H HN 0.068 nan 8.280 nan 0.000 0.534 180 N N 1.936 120.215 118.700 -0.703 0.000 2.484 180 N HA 0.202 4.941 4.740 -0.000 0.000 0.269 180 N C -1.369 173.856 175.510 -0.475 0.000 1.237 180 N CA -0.673 52.153 53.050 -0.374 0.000 0.838 180 N CB 3.026 41.399 38.487 -0.189 0.000 1.593 180 N HN 0.554 nan 8.380 nan 0.000 0.485 181 R N 1.731 122.125 120.500 -0.177 0.000 2.510 181 R HA 0.509 4.849 4.340 -0.000 0.000 0.294 181 R C -1.581 174.736 176.300 0.029 0.000 1.056 181 R CA -0.395 55.656 56.100 -0.082 0.000 0.918 181 R CB 0.968 31.276 30.300 0.013 0.000 1.187 181 R HN 0.512 nan 8.270 nan 0.000 0.437 182 L N 3.379 124.619 121.223 0.028 0.000 2.342 182 L HA 0.902 5.242 4.340 -0.000 0.000 0.271 182 L C 0.379 177.296 176.870 0.078 0.000 1.008 182 L CA -0.621 54.270 54.840 0.085 0.000 0.818 182 L CB 2.327 44.458 42.059 0.120 0.000 1.296 182 L HN 0.935 nan 8.230 nan 0.000 0.427 183 G N 0.239 109.090 108.800 0.085 0.000 2.341 183 G HA2 0.354 4.313 3.960 -0.000 0.000 0.293 183 G HA3 0.354 4.313 3.960 -0.000 0.000 0.293 183 G C -0.225 174.694 174.900 0.031 0.000 1.298 183 G CA -0.222 44.918 45.100 0.067 0.000 0.868 183 G HN 0.827 nan 8.290 nan 0.000 0.540 184 G N -0.858 107.968 108.800 0.043 0.000 2.713 184 G HA2 0.375 4.334 3.960 -0.000 0.000 0.170 184 G HA3 0.375 4.334 3.960 -0.000 0.000 0.170 184 G C 0.297 175.140 174.900 -0.095 0.000 1.724 184 G CA 0.598 45.705 45.100 0.011 0.000 0.892 184 G HN 0.821 nan 8.290 nan 0.000 0.376 185 H N -1.237 117.804 119.070 -0.048 0.000 2.615 185 H HA 0.311 4.866 4.556 -0.000 0.000 0.363 185 H C 1.069 176.398 175.328 0.001 0.000 1.148 185 H CA -0.139 55.858 56.048 -0.085 0.000 1.401 185 H CB 0.664 30.423 29.762 -0.005 0.000 1.461 185 H HN 0.420 nan 8.280 nan 0.000 0.588 186 Y N 0.921 121.343 120.300 0.204 0.000 2.139 186 Y HA -0.250 4.299 4.550 -0.000 0.000 0.282 186 Y C 2.543 178.542 175.900 0.164 0.000 1.179 186 Y CA 0.883 59.088 58.100 0.174 0.000 1.161 186 Y CB -0.166 38.414 38.460 0.201 0.000 0.970 186 Y HN 0.827 nan 8.280 nan 0.000 0.511 187 G N -0.331 108.668 108.800 0.332 0.000 2.848 187 G HA2 -0.030 3.929 3.960 -0.000 0.000 0.208 187 G HA3 -0.030 3.929 3.960 -0.000 0.000 0.208 187 G C 0.168 175.159 174.900 0.152 0.000 1.152 187 G CA -0.015 45.211 45.100 0.211 0.000 0.789 187 G HN 0.333 nan 8.290 nan 0.000 0.531 188 E N 0.928 121.224 120.200 0.161 0.000 2.318 188 E HA 0.249 4.599 4.350 -0.000 0.000 0.265 188 E C -2.302 174.363 176.600 0.109 0.000 1.069 188 E CA -2.112 54.357 56.400 0.115 0.000 0.893 188 E CB 0.952 30.723 29.700 0.118 0.000 1.076 188 E HN 0.012 nan 8.360 nan 0.000 0.414 189 P HA 0.009 nan 4.420 nan 0.000 0.267 189 P C -0.535 176.809 177.300 0.074 0.000 1.209 189 P CA 0.107 63.251 63.100 0.073 0.000 0.763 189 P CB 0.717 32.449 31.700 0.053 0.000 0.816 190 G N 2.594 111.441 108.800 0.079 0.000 2.537 190 G HA2 0.570 4.529 3.960 -0.000 0.000 0.323 190 G HA3 0.570 4.529 3.960 -0.000 0.000 0.323 190 G C -1.081 173.843 174.900 0.039 0.000 1.207 190 G CA -0.759 44.382 45.100 0.069 0.000 0.976 190 G HN 0.471 nan 8.290 nan 0.000 0.487 191 M N 1.005 120.613 119.600 0.013 0.000 2.080 191 M HA 0.345 4.824 4.480 -0.000 0.000 0.350 191 M C -0.024 176.238 176.300 -0.062 0.000 1.173 191 M CA -0.377 54.907 55.300 -0.027 0.000 1.052 191 M CB 0.704 33.271 32.600 -0.056 0.000 1.577 191 M HN 0.445 nan 8.290 nan 0.000 0.455 192 Q N 3.833 123.598 119.800 -0.058 0.000 2.274 192 Q HA 0.459 4.799 4.340 -0.000 0.000 0.256 192 Q C -1.354 174.537 176.000 -0.182 0.000 0.927 192 Q CA -0.597 55.116 55.803 -0.150 0.000 0.939 192 Q CB 1.597 30.366 28.738 0.052 0.000 1.201 192 Q HN 0.691 nan 8.270 nan 0.000 0.426 193 L N 3.911 124.930 121.223 -0.340 0.000 2.294 193 L HA 0.443 4.783 4.340 -0.000 0.000 0.283 193 L C -1.624 175.111 176.870 -0.225 0.000 1.015 193 L CA -0.190 54.512 54.840 -0.231 0.000 0.831 193 L CB 0.431 42.352 42.059 -0.229 0.000 1.217 193 L HN 0.404 nan 8.230 nan 0.000 0.420 194 F N 4.800 124.656 119.950 -0.156 0.000 2.411 194 F HA 0.490 5.016 4.527 -0.000 0.000 0.355 194 F C 0.220 176.141 175.800 0.201 0.000 1.117 194 F CA -0.375 57.680 58.000 0.093 0.000 1.139 194 F CB 1.443 40.573 39.000 0.217 0.000 1.120 194 F HN 0.124 nan 8.300 nan 0.000 0.493 195 V N 5.219 125.329 119.914 0.326 0.000 2.427 195 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 195 V C -0.608 175.680 176.094 0.324 0.000 1.034 195 V CA -0.877 61.576 62.300 0.255 0.000 0.893 195 V CB 1.023 32.964 31.823 0.198 0.000 0.982 195 V HN 0.631 nan 8.190 nan 0.000 0.452 196 Y N 1.391 121.823 120.300 0.220 0.000 2.605 196 Y HA 0.855 5.405 4.550 -0.000 0.000 0.343 196 Y C 0.876 176.856 175.900 0.133 0.000 1.036 196 Y CA -0.648 57.558 58.100 0.178 0.000 1.065 196 Y CB 1.774 40.332 38.460 0.164 0.000 1.288 196 Y HN 0.503 nan 8.280 nan 0.000 0.481 197 G N 0.462 109.409 108.800 0.244 0.000 2.709 197 G HA2 0.266 4.226 3.960 -0.000 0.000 0.208 197 G HA3 0.266 4.226 3.960 -0.000 0.000 0.208 197 G C 0.031 175.051 174.900 0.200 0.000 1.129 197 G CA -0.067 45.112 45.100 0.131 0.000 0.793 197 G HN 0.791 nan 8.290 nan 0.000 0.524 198 R N -0.260 120.448 120.500 0.346 0.000 2.766 198 R HA 0.668 5.007 4.340 -0.000 0.000 0.270 198 R C -1.817 174.621 176.300 0.231 0.000 1.035 198 R CA -0.885 55.378 56.100 0.271 0.000 0.911 198 R CB 0.976 31.366 30.300 0.150 0.000 1.243 198 R HN 0.214 nan 8.270 nan 0.000 0.460 199 E N 0.330 120.597 120.200 0.112 0.000 2.378 199 E HA 0.197 4.546 4.350 -0.000 0.000 0.283 199 E C -1.410 175.186 176.600 -0.007 0.000 0.979 199 E CA -1.004 55.383 56.400 -0.022 0.000 0.795 199 E CB 1.783 31.392 29.700 -0.151 0.000 1.221 199 E HN 0.587 nan 8.360 nan 0.000 0.428 200 E N 0.732 120.913 120.200 -0.032 0.000 2.502 200 E HA 0.174 4.524 4.350 -0.000 0.000 0.261 200 E C 0.885 177.474 176.600 -0.017 0.000 0.974 200 E CA 1.732 58.120 56.400 -0.019 0.000 0.936 200 E CB 0.468 30.149 29.700 -0.031 0.000 0.926 200 E HN 0.896 nan 8.360 nan 0.000 0.459 201 G N 3.210 112.008 108.800 -0.003 0.000 2.205 201 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 201 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 201 G C 0.243 175.150 174.900 0.010 0.000 0.980 201 G CA 0.230 45.329 45.100 -0.001 0.000 0.632 201 G HN 0.551 nan 8.290 nan 0.000 0.533 202 N N 0.829 119.543 118.700 0.023 0.000 2.422 202 N HA 0.424 5.164 4.740 -0.000 0.000 0.266 202 N C 0.581 176.118 175.510 0.044 0.000 1.007 202 N CA -0.048 53.027 53.050 0.042 0.000 0.941 202 N CB 1.239 39.770 38.487 0.074 0.000 1.115 202 N HN 0.134 nan 8.380 nan 0.000 0.492 203 D N 0.498 120.920 120.400 0.036 0.000 2.277 203 D HA -0.028 4.612 4.640 -0.000 0.000 0.208 203 D C -0.048 176.274 176.300 0.036 0.000 0.962 203 D CA 1.092 55.111 54.000 0.031 0.000 0.865 203 D CB 0.189 41.003 40.800 0.023 0.000 0.939 203 D HN 0.439 nan 8.370 nan 0.000 0.510 204 T N 2.110 116.690 114.554 0.044 0.000 2.751 204 T HA 0.324 4.673 4.350 -0.000 0.000 0.290 204 T C 0.184 174.915 174.700 0.053 0.000 0.919 204 T CA -0.089 62.036 62.100 0.042 0.000 1.136 204 T CB 0.056 68.951 68.868 0.045 0.000 0.875 204 T HN 0.251 nan 8.240 nan 0.000 0.532 205 R N 2.288 122.811 120.500 0.039 0.000 2.728 205 R HA 0.530 4.870 4.340 -0.000 0.000 0.274 205 R C -3.572 172.745 176.300 0.028 0.000 1.032 205 R CA -1.988 54.140 56.100 0.046 0.000 0.866 205 R CB -0.020 30.316 30.300 0.061 0.000 1.263 205 R HN 0.175 nan 8.270 nan 0.000 0.475 206 P HA 0.085 nan 4.420 nan 0.000 0.269 206 P C -0.048 177.263 177.300 0.018 0.000 1.209 206 P CA -0.273 62.837 63.100 0.016 0.000 0.776 206 P CB 1.110 32.831 31.700 0.035 0.000 0.876 207 S N 1.369 117.064 115.700 -0.008 0.000 2.526 207 S HA 0.130 4.600 4.470 -0.000 0.000 0.220 207 S C 1.494 176.088 174.600 -0.011 0.000 1.017 207 S CA -0.288 57.911 58.200 -0.002 0.000 0.930 207 S CB 0.075 63.267 63.200 -0.013 0.000 0.856 207 S HN 0.352 nan 8.310 nan 0.000 0.497 208 R N -0.125 120.332 120.500 -0.072 0.000 2.064 208 R HA 0.345 4.685 4.340 -0.000 0.000 0.210 208 R C -0.377 175.880 176.300 -0.071 0.000 1.221 208 R CA 0.095 56.103 56.100 -0.153 0.000 1.055 208 R CB 0.116 30.162 30.300 -0.423 0.000 0.946 208 R HN 0.437 nan 8.270 nan 0.000 0.459 209 Y N 2.561 122.808 120.300 -0.089 0.000 2.352 209 Y HA 0.394 4.943 4.550 -0.001 0.000 0.326 209 Y C -1.855 174.010 175.900 -0.058 0.000 1.166 209 Y CA -3.119 54.861 58.100 -0.201 0.000 1.182 209 Y CB 1.253 39.544 38.460 -0.281 0.000 1.216 209 Y HN 0.256 nan 8.280 nan 0.000 0.474 210 P HA 0.050 nan 4.420 nan 0.000 0.269 210 P C -1.156 176.205 177.300 0.102 0.000 1.215 210 P CA -0.212 62.969 63.100 0.135 0.000 0.780 210 P CB 1.001 32.792 31.700 0.152 0.000 0.898 211 A N 3.749 126.632 122.820 0.105 0.000 2.341 211 A HA 0.254 4.574 4.320 -0.000 0.000 0.326 211 A C 1.377 179.034 177.584 0.122 0.000 1.402 211 A CA -0.697 51.404 52.037 0.106 0.000 0.957 211 A CB -0.084 18.982 19.000 0.111 0.000 1.151 211 A HN 0.448 nan 8.150 nan 0.000 0.533 212 R N 0.773 121.349 120.500 0.126 0.000 2.148 212 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 212 R C 0.456 176.859 176.300 0.172 0.000 1.088 212 R CA 0.778 56.966 56.100 0.147 0.000 0.985 212 R CB 0.086 30.483 30.300 0.161 0.000 0.880 212 R HN 0.732 nan 8.270 nan 0.000 0.451 213 Q N 1.537 121.454 119.800 0.195 0.000 2.290 213 Q HA 0.115 4.455 4.340 -0.000 0.000 0.259 213 Q C -0.877 175.259 176.000 0.226 0.000 0.941 213 Q CA -0.330 55.604 55.803 0.220 0.000 0.912 213 Q CB 1.604 30.500 28.738 0.264 0.000 1.244 213 Q HN 0.102 nan 8.270 nan 0.000 0.441 214 T N 0.231 114.887 114.554 0.170 0.000 2.925 214 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 214 T C 0.723 175.427 174.700 0.007 0.000 1.021 214 T CA -0.801 61.362 62.100 0.106 0.000 1.042 214 T CB 1.533 70.424 68.868 0.039 0.000 1.037 214 T HN 0.795 nan 8.240 nan 0.000 0.481 215 R N 0.568 120.905 120.500 -0.272 0.000 2.096 215 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 215 R C 1.741 177.803 176.300 -0.396 0.000 1.127 215 R CA 1.699 57.421 56.100 -0.631 0.000 0.968 215 R CB -0.321 29.223 30.300 -1.259 0.000 0.861 215 R HN 0.793 nan 8.270 nan 0.000 0.440 216 E N 0.506 120.542 120.200 -0.273 0.000 2.097 216 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 216 E C 1.848 178.361 176.600 -0.145 0.000 1.000 216 E CA 1.771 58.047 56.400 -0.207 0.000 0.804 216 E CB -0.305 29.318 29.700 -0.128 0.000 0.740 216 E HN 0.498 nan 8.360 nan 0.000 0.454 217 A N 0.363 123.142 122.820 -0.067 0.000 1.877 217 A HA -0.190 4.129 4.320 -0.000 0.000 0.216 217 A C 2.357 179.947 177.584 0.011 0.000 1.186 217 A CA 1.825 53.860 52.037 -0.003 0.000 0.620 217 A CB -0.718 18.318 19.000 0.059 0.000 0.822 217 A HN 0.209 nan 8.150 nan 0.000 0.443 218 S N -0.132 115.590 115.700 0.037 0.000 2.359 218 S HA -0.209 4.260 4.470 -0.000 0.000 0.224 218 S C 1.841 176.372 174.600 -0.115 0.000 1.035 218 S CA 1.692 59.964 58.200 0.119 0.000 1.018 218 S CB -0.382 63.007 63.200 0.315 0.000 0.876 218 S HN 0.699 nan 8.310 nan 0.000 0.448 219 E N 0.928 120.946 120.200 -0.304 0.000 2.153 219 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 219 E C 2.299 178.786 176.600 -0.188 0.000 0.988 219 E CA 0.888 57.062 56.400 -0.378 0.000 0.811 219 E CB -0.211 29.143 29.700 -0.577 0.000 0.746 219 E HN 0.525 nan 8.360 nan 0.000 0.466 220 A N 0.774 123.511 122.820 -0.140 0.000 1.929 220 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 220 A C 2.439 179.987 177.584 -0.059 0.000 1.176 220 A CA 0.865 52.850 52.037 -0.088 0.000 0.628 220 A CB -0.380 18.584 19.000 -0.060 0.000 0.816 220 A HN 0.101 nan 8.150 nan 0.000 0.444 221 V N -0.121 119.780 119.914 -0.022 0.000 2.427 221 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 221 V C 3.009 179.114 176.094 0.019 0.000 1.051 221 V CA 1.685 64.011 62.300 0.045 0.000 1.048 221 V CB -1.138 30.795 31.823 0.183 0.000 0.666 221 V HN 0.587 nan 8.190 nan 0.000 0.456 222 A N -0.092 122.657 122.820 -0.118 0.000 1.972 222 A HA -0.215 4.104 4.320 -0.000 0.000 0.219 222 A C 2.408 179.954 177.584 -0.062 0.000 1.169 222 A CA 1.693 53.656 52.037 -0.123 0.000 0.635 222 A CB -0.437 18.385 19.000 -0.297 0.000 0.810 222 A HN 0.497 nan 8.150 nan 0.000 0.446 223 R N -0.842 119.610 120.500 -0.081 0.000 2.073 223 R HA 0.059 4.399 4.340 -0.000 0.000 0.229 223 R C 2.056 178.275 176.300 -0.135 0.000 1.120 223 R CA 1.212 57.257 56.100 -0.092 0.000 0.967 223 R CB -0.452 29.796 30.300 -0.087 0.000 0.862 223 R HN 0.495 nan 8.270 nan 0.000 0.436 224 L N 0.946 122.080 121.223 -0.148 0.000 2.083 224 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 224 L C 1.376 178.058 176.870 -0.312 0.000 1.083 224 L CA 1.009 55.678 54.840 -0.286 0.000 0.752 224 L CB -0.310 41.612 42.059 -0.228 0.000 0.899 224 L HN 0.165 nan 8.230 nan 0.000 0.433 225 N N 0.332 118.965 118.700 -0.112 0.000 2.449 225 N HA -0.052 4.687 4.740 -0.000 0.000 0.191 225 N C -0.035 175.228 175.510 -0.411 0.000 1.161 225 N CA 0.169 53.169 53.050 -0.083 0.000 0.863 225 N CB 0.100 38.641 38.487 0.090 0.000 0.980 225 N HN 0.274 nan 8.380 nan 0.000 0.458 226 Q N -0.715 118.882 119.800 -0.339 0.000 2.434 226 Q HA -0.160 4.180 4.340 -0.000 0.000 0.299 226 Q C -0.756 175.144 176.000 -0.166 0.000 1.286 226 Q CA 0.226 55.861 55.803 -0.281 0.000 0.872 226 Q CB -1.913 26.587 28.738 -0.396 0.000 1.193 226 Q HN 0.083 nan 8.270 nan 0.000 0.466 227 V N 1.625 121.493 119.914 -0.076 0.000 2.572 227 V HA 0.034 4.154 4.120 -0.000 0.000 0.291 227 V C 0.978 177.071 176.094 -0.002 0.000 1.039 227 V CA -0.397 61.904 62.300 0.001 0.000 1.055 227 V CB 0.885 32.760 31.823 0.086 0.000 0.969 227 V HN 0.316 nan 8.190 nan 0.000 0.482 228 N N 6.894 125.599 118.700 0.009 0.000 2.365 228 N HA 0.006 4.746 4.740 -0.000 0.000 0.265 228 N C -1.633 173.881 175.510 0.007 0.000 1.288 228 N CA -0.874 52.180 53.050 0.006 0.000 0.869 228 N CB 0.864 39.360 38.487 0.014 0.000 1.071 228 N HN 0.419 nan 8.380 nan 0.000 0.480 229 P HA -0.181 nan 4.420 nan 0.000 0.220 229 P C 0.987 178.288 177.300 0.002 0.000 1.144 229 P CA 1.349 64.452 63.100 0.006 0.000 0.800 229 P CB 0.182 31.886 31.700 0.007 0.000 0.772 230 Q N -1.035 118.765 119.800 0.000 0.000 2.403 230 Q HA 0.024 4.364 4.340 -0.000 0.000 0.203 230 Q C 0.925 176.919 176.000 -0.010 0.000 0.932 230 Q CA 0.408 56.208 55.803 -0.004 0.000 0.945 230 Q CB -0.237 28.501 28.738 -0.001 0.000 1.045 230 Q HN 0.349 nan 8.270 nan 0.000 0.511 231 Q N 0.644 120.440 119.800 -0.007 0.000 2.141 231 Q HA 0.301 4.641 4.340 -0.000 0.000 0.248 231 Q C -1.015 174.975 176.000 -0.018 0.000 0.834 231 Q CA -0.212 55.587 55.803 -0.006 0.000 1.096 231 Q CB 1.775 30.524 28.738 0.019 0.000 1.189 231 Q HN 0.065 nan 8.270 nan 0.000 0.471 232 V N 1.373 121.252 119.914 -0.058 0.000 2.656 232 V HA 0.561 4.681 4.120 -0.000 0.000 0.307 232 V C -0.470 175.468 176.094 -0.260 0.000 1.051 232 V CA -0.624 61.588 62.300 -0.147 0.000 0.893 232 V CB 2.270 33.973 31.823 -0.200 0.000 0.999 232 V HN 0.204 nan 8.190 nan 0.000 0.426 233 I N 3.982 124.340 120.570 -0.354 0.000 2.619 233 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 233 I C -1.406 174.474 176.117 -0.396 0.000 1.100 233 I CA -0.326 60.795 61.300 -0.298 0.000 1.043 233 I CB 2.393 40.292 38.000 -0.169 0.000 1.239 233 I HN 0.430 nan 8.210 nan 0.000 0.420 234 F N 4.174 124.186 119.950 0.103 0.000 2.469 234 F HA 0.794 5.321 4.527 -0.000 0.000 0.332 234 F C 0.344 176.262 175.800 0.197 0.000 1.103 234 F CA -0.606 57.519 58.000 0.208 0.000 0.979 234 F CB 1.970 41.075 39.000 0.175 0.000 1.137 234 F HN 0.414 nan 8.300 nan 0.000 0.463 235 A N 2.887 125.904 122.820 0.329 0.000 2.486 235 A HA 0.590 4.910 4.320 -0.000 0.000 0.300 235 A C -1.247 176.178 177.584 -0.266 0.000 1.048 235 A CA -0.767 51.298 52.037 0.048 0.000 0.696 235 A CB 1.689 20.595 19.000 -0.157 0.000 1.278 235 A HN 0.736 nan 8.150 nan 0.000 0.405 236 Q N 1.107 120.655 119.800 -0.419 0.000 2.261 236 Q HA 0.433 4.773 4.340 -0.000 0.000 0.252 236 Q C -0.100 175.769 176.000 -0.218 0.000 0.915 236 Q CA -0.435 54.923 55.803 -0.742 0.000 0.915 236 Q CB 0.888 29.335 28.738 -0.486 0.000 1.204 236 Q HN 0.747 nan 8.270 nan 0.000 0.421 237 Q N 2.186 121.866 119.800 -0.201 0.000 2.373 237 Q HA 0.055 4.395 4.340 -0.000 0.000 0.255 237 Q C -0.619 175.329 176.000 -0.087 0.000 0.980 237 Q CA -0.116 55.640 55.803 -0.079 0.000 0.882 237 Q CB 0.655 29.334 28.738 -0.098 0.000 1.249 237 Q HN 0.595 nan 8.270 nan 0.000 0.438 238 N N 4.624 123.259 118.700 -0.108 0.000 2.438 238 N HA 0.027 4.767 4.740 -0.000 0.000 0.267 238 N C -1.956 173.503 175.510 -0.086 0.000 1.222 238 N CA -1.478 51.520 53.050 -0.087 0.000 0.930 238 N CB 0.859 39.275 38.487 -0.118 0.000 1.083 238 N HN 0.446 nan 8.380 nan 0.000 0.476 239 P HA -0.146 nan 4.420 nan 0.000 0.218 239 P C 0.275 177.544 177.300 -0.051 0.000 1.148 239 P CA 1.170 64.248 63.100 -0.038 0.000 0.822 239 P CB 0.424 32.115 31.700 -0.016 0.000 0.784 240 D N -0.362 120.001 120.400 -0.061 0.000 2.218 240 D HA -0.081 4.558 4.640 -0.000 0.000 0.204 240 D C 1.977 178.222 176.300 -0.092 0.000 0.976 240 D CA 0.653 54.611 54.000 -0.072 0.000 0.853 240 D CB -0.535 40.225 40.800 -0.065 0.000 0.939 240 D HN 0.070 nan 8.370 nan 0.000 0.481 241 V N 0.649 120.492 119.914 -0.118 0.000 2.788 241 V HA -0.063 4.056 4.120 -0.000 0.000 0.251 241 V C 2.180 178.211 176.094 -0.106 0.000 1.068 241 V CA 0.494 62.700 62.300 -0.155 0.000 1.090 241 V CB -0.012 31.663 31.823 -0.245 0.000 0.710 241 V HN 0.090 nan 8.190 nan 0.000 0.467 242 I N -0.022 120.505 120.570 -0.072 0.000 2.252 242 I HA -0.162 4.007 4.170 -0.000 0.000 0.245 242 I C 1.858 178.028 176.117 0.089 0.000 1.102 242 I CA 1.510 62.806 61.300 -0.007 0.000 1.385 242 I CB -0.406 37.597 38.000 0.004 0.000 1.064 242 I HN 0.288 nan 8.210 nan 0.000 0.414 243 D N 0.587 120.989 120.400 0.005 0.000 2.392 243 D HA -0.115 4.524 4.640 -0.000 0.000 0.228 243 D C 1.650 177.894 176.300 -0.094 0.000 1.003 243 D CA 0.769 54.708 54.000 -0.100 0.000 0.917 243 D CB 0.025 40.727 40.800 -0.163 0.000 0.890 243 D HN 0.383 nan 8.370 nan 0.000 0.532 244 Q N -1.089 118.735 119.800 0.040 0.000 2.217 244 Q HA 0.272 4.612 4.340 -0.000 0.000 0.217 244 Q C 1.231 177.325 176.000 0.157 0.000 0.844 244 Q CA 0.162 56.000 55.803 0.058 0.000 0.957 244 Q CB 1.592 30.307 28.738 -0.038 0.000 1.127 244 Q HN 0.296 nan 8.270 nan 0.000 0.503 245 G N -0.120 108.815 108.800 0.224 0.000 2.205 245 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.180 245 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.180 245 G C 0.069 175.004 174.900 0.059 0.000 1.004 245 G CA -0.116 45.051 45.100 0.112 0.000 0.670 245 G HN 0.137 nan 8.290 nan 0.000 0.496 246 V N 3.516 123.404 119.914 -0.044 0.000 2.223 246 V HA 0.331 4.450 4.120 -0.000 0.000 0.249 246 V C 1.512 177.498 176.094 -0.179 0.000 1.233 246 V CA 0.439 62.613 62.300 -0.210 0.000 1.131 246 V CB -1.274 30.401 31.823 -0.248 0.000 1.298 246 V HN 0.486 nan 8.190 nan 0.000 0.498 247 F N 0.827 120.639 119.950 -0.231 0.000 2.661 247 F HA 0.274 4.800 4.527 -0.000 0.000 0.298 247 F C 0.880 176.448 175.800 -0.386 0.000 1.137 247 F CA -0.039 57.766 58.000 -0.326 0.000 1.454 247 F CB -0.481 38.251 39.000 -0.446 0.000 1.103 247 F HN 0.407 nan 8.300 nan 0.000 0.577 248 H N -0.799 117.999 119.070 -0.454 0.000 2.980 248 H HA 0.203 4.758 4.556 -0.001 0.000 0.367 248 H C 0.588 175.737 175.328 -0.298 0.000 1.206 248 H CA -0.707 55.169 56.048 -0.285 0.000 1.126 248 H CB 1.220 30.792 29.762 -0.316 0.000 1.838 248 H HN -0.120 nan 8.280 nan 0.000 0.552 249 N N 1.033 119.717 118.700 -0.026 0.000 2.223 249 N HA -0.161 4.579 4.740 -0.000 0.000 0.185 249 N C 0.547 175.969 175.510 -0.148 0.000 1.016 249 N CA 1.420 54.415 53.050 -0.093 0.000 0.863 249 N CB 0.101 38.598 38.487 0.017 0.000 0.983 249 N HN 0.693 nan 8.380 nan 0.000 0.429 250 D N 0.153 120.478 120.400 -0.125 0.000 2.348 250 D HA -0.039 4.601 4.640 -0.000 0.000 0.248 250 D C 1.197 177.355 176.300 -0.235 0.000 1.142 250 D CA 0.183 54.107 54.000 -0.126 0.000 0.904 250 D CB 0.028 40.782 40.800 -0.077 0.000 0.901 250 D HN 0.103 nan 8.370 nan 0.000 0.523 251 V N -0.377 119.321 119.914 -0.360 0.000 3.605 251 V HA 0.211 4.330 4.120 -0.000 0.000 0.284 251 V C 1.207 177.104 176.094 -0.329 0.000 1.386 251 V CA 0.081 62.072 62.300 -0.516 0.000 1.053 251 V CB 0.292 31.682 31.823 -0.723 0.000 0.857 251 V HN 0.152 nan 8.190 nan 0.000 0.436 252 I N -0.390 119.967 120.570 -0.355 0.000 4.670 252 I HA 0.701 4.871 4.170 -0.000 0.000 0.339 252 I C 0.300 175.903 176.117 -0.857 0.000 1.310 252 I CA 0.392 61.319 61.300 -0.622 0.000 1.288 252 I CB 0.946 38.577 38.000 -0.615 0.000 1.427 252 I HN 0.105 nan 8.210 nan 0.000 0.494 253 A N -0.304 122.279 122.820 -0.396 0.000 2.605 253 A HA 0.784 5.104 4.320 -0.000 0.000 0.294 253 A C -1.901 175.703 177.584 0.034 0.000 1.062 253 A CA -0.383 51.524 52.037 -0.218 0.000 0.682 253 A CB 1.554 20.457 19.000 -0.163 0.000 1.278 253 A HN 0.121 nan 8.150 nan 0.000 0.410 254 V N 1.445 121.452 119.914 0.156 0.000 2.891 254 V HA 0.807 4.927 4.120 -0.000 0.000 0.304 254 V C -0.418 175.803 176.094 0.212 0.000 1.171 254 V CA 0.357 62.769 62.300 0.186 0.000 0.943 254 V CB 2.332 34.298 31.823 0.237 0.000 1.037 254 V HN 1.972 nan 8.190 nan 0.000 0.427 255 S N 4.375 120.169 115.700 0.157 0.000 2.607 255 S HA 0.856 5.326 4.470 -0.000 0.000 0.303 255 S C -0.740 173.945 174.600 0.142 0.000 1.086 255 S CA -0.690 57.600 58.200 0.151 0.000 0.995 255 S CB 1.861 65.130 63.200 0.115 0.000 1.084 255 S HN 1.233 nan 8.310 nan 0.000 0.507 256 N N 0.165 118.947 118.700 0.137 0.000 2.999 256 N HA 0.287 5.027 4.740 -0.000 0.000 0.244 256 N C -0.156 175.407 175.510 0.088 0.000 1.106 256 N CA -0.286 52.856 53.050 0.154 0.000 1.018 256 N CB 0.667 39.241 38.487 0.145 0.000 1.600 256 N HN 0.748 nan 8.380 nan 0.000 0.621 257 R N 0.550 121.095 120.500 0.075 0.000 3.923 257 R HA -0.232 4.108 4.340 -0.000 0.000 0.400 257 R C 0.792 177.098 176.300 0.012 0.000 0.241 257 R CA 1.749 57.818 56.100 -0.052 0.000 1.284 257 R CB -1.535 28.663 30.300 -0.172 0.000 1.006 257 R HN 0.857 nan 8.270 nan 0.000 0.559 258 Q N 2.103 121.889 119.800 -0.024 0.000 2.403 258 Q HA 0.166 4.506 4.340 -0.000 0.000 0.203 258 Q C 0.418 176.375 176.000 -0.072 0.000 0.932 258 Q CA 0.584 56.395 55.803 0.012 0.000 0.945 258 Q CB 0.413 29.138 28.738 -0.021 0.000 1.045 258 Q HN 0.299 nan 8.270 nan 0.000 0.511 259 V N 2.282 122.158 119.914 -0.063 0.000 2.481 259 V HA 0.312 4.432 4.120 -0.000 0.000 0.286 259 V C -0.600 175.501 176.094 0.012 0.000 1.042 259 V CA -0.830 61.406 62.300 -0.108 0.000 0.928 259 V CB 1.501 33.290 31.823 -0.057 0.000 0.986 259 V HN 0.321 nan 8.190 nan 0.000 0.462 260 L N 6.269 127.481 121.223 -0.018 0.000 2.388 260 L HA 0.531 4.871 4.340 -0.000 0.000 0.267 260 L C -1.004 176.011 176.870 0.241 0.000 0.995 260 L CA -0.259 54.689 54.840 0.181 0.000 0.864 260 L CB 0.986 43.250 42.059 0.342 0.000 1.216 260 L HN 0.533 nan 8.230 nan 0.000 0.430 261 F N 6.610 126.635 119.950 0.125 0.000 2.413 261 F HA 0.600 5.126 4.527 -0.001 0.000 0.359 261 F C 0.056 176.012 175.800 0.261 0.000 1.122 261 F CA -0.993 57.124 58.000 0.194 0.000 1.160 261 F CB 0.099 39.218 39.000 0.199 0.000 1.146 261 F HN 0.711 nan 8.300 nan 0.000 0.514 262 C N 4.985 124.256 119.300 -0.049 0.000 3.241 262 C HA 0.500 4.960 4.460 -0.000 0.000 0.312 262 C C -0.565 174.097 174.990 -0.547 0.000 1.350 262 C CA -0.930 57.828 59.018 -0.433 0.000 1.415 262 C CB 1.562 29.210 27.740 -0.154 0.000 1.770 262 C HN 0.865 nan 8.230 nan 0.000 0.466 263 H N 0.967 119.392 119.070 -1.076 0.000 2.562 263 H HA 0.178 4.734 4.556 -0.000 0.000 0.352 263 H C 0.968 176.072 175.328 -0.374 0.000 1.125 263 H CA 0.915 56.561 56.048 -0.670 0.000 1.379 263 H CB 1.521 30.812 29.762 -0.784 0.000 1.464 263 H HN 0.974 nan 8.280 nan 0.000 0.563 264 Q N 2.679 122.262 119.800 -0.361 0.000 2.197 264 Q HA -0.188 4.152 4.340 -0.000 0.000 0.207 264 Q C 0.658 176.662 176.000 0.006 0.000 0.984 264 Q CA 1.594 57.317 55.803 -0.134 0.000 0.869 264 Q CB 0.248 28.880 28.738 -0.176 0.000 0.906 264 Q HN 0.698 nan 8.270 nan 0.000 0.426 265 Q N -1.322 118.593 119.800 0.192 0.000 2.212 265 Q HA 0.210 4.550 4.340 -0.000 0.000 0.213 265 Q C 1.126 177.004 176.000 -0.203 0.000 0.874 265 Q CA 0.132 55.937 55.803 0.004 0.000 0.965 265 Q CB 0.679 29.408 28.738 -0.014 0.000 1.074 265 Q HN 0.381 nan 8.270 nan 0.000 0.473 266 A N 0.362 122.970 122.820 -0.353 0.000 1.873 266 A HA -0.025 4.295 4.320 -0.000 0.000 0.215 266 A C 0.419 177.498 177.584 -0.841 0.000 1.186 266 A CA 1.107 52.678 52.037 -0.778 0.000 0.616 266 A CB 0.083 18.350 19.000 -1.222 0.000 0.823 266 A HN 0.292 nan 8.150 nan 0.000 0.442 267 F N -2.011 117.874 119.950 -0.109 0.000 2.575 267 F HA 0.674 5.200 4.527 -0.000 0.000 0.330 267 F C 0.528 176.281 175.800 -0.078 0.000 1.056 267 F CA -0.882 57.058 58.000 -0.101 0.000 0.964 267 F CB 1.443 40.389 39.000 -0.090 0.000 1.258 267 F HN 0.134 nan 8.300 nan 0.000 0.484 268 A N 0.912 123.810 122.820 0.130 0.000 2.354 268 A HA 0.539 4.859 4.320 -0.000 0.000 0.269 268 A C 0.434 178.057 177.584 0.065 0.000 1.109 268 A CA -0.620 51.450 52.037 0.055 0.000 0.800 268 A CB 0.164 19.176 19.000 0.020 0.000 1.045 268 A HN 0.830 nan 8.150 nan 0.000 0.489 269 R N 0.874 121.400 120.500 0.044 0.000 3.322 269 R HA -0.224 4.115 4.340 -0.000 0.000 0.253 269 R C 0.867 177.193 176.300 0.042 0.000 0.987 269 R CA 1.156 57.276 56.100 0.033 0.000 0.666 269 R CB -2.190 28.123 30.300 0.021 0.000 1.072 269 R HN 1.023 nan 8.270 nan 0.000 0.447 270 Q N 0.363 120.210 119.800 0.078 0.000 2.096 270 Q HA -0.130 4.210 4.340 -0.000 0.000 0.204 270 Q C 1.409 177.446 176.000 0.062 0.000 0.982 270 Q CA 2.154 58.026 55.803 0.115 0.000 0.850 270 Q CB 0.091 28.931 28.738 0.169 0.000 0.901 270 Q HN 0.518 nan 8.270 nan 0.000 0.422 271 S N 0.421 116.149 115.700 0.047 0.000 2.359 271 S HA -0.246 4.223 4.470 -0.000 0.000 0.224 271 S C 1.793 176.403 174.600 0.016 0.000 1.035 271 S CA 1.557 59.778 58.200 0.035 0.000 1.018 271 S CB -0.358 62.858 63.200 0.028 0.000 0.876 271 S HN 0.374 nan 8.310 nan 0.000 0.448 272 Q N 0.961 120.763 119.800 0.004 0.000 2.119 272 Q HA 0.002 4.342 4.340 -0.000 0.000 0.201 272 Q C 2.025 177.996 176.000 -0.047 0.000 0.972 272 Q CA 0.997 56.791 55.803 -0.015 0.000 0.847 272 Q CB -0.607 28.125 28.738 -0.009 0.000 0.903 272 Q HN 0.453 nan 8.270 nan 0.000 0.433 273 L N -0.301 120.882 121.223 -0.066 0.000 2.017 273 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 273 L C 1.906 178.669 176.870 -0.178 0.000 1.073 273 L CA 1.798 56.551 54.840 -0.146 0.000 0.745 273 L CB -0.728 41.196 42.059 -0.225 0.000 0.894 273 L HN 0.362 nan 8.230 nan 0.000 0.432 274 L N -0.456 120.709 121.223 -0.097 0.000 2.083 274 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 274 L C 2.693 179.523 176.870 -0.066 0.000 1.083 274 L CA 1.117 55.931 54.840 -0.044 0.000 0.752 274 L CB -1.071 41.065 42.059 0.130 0.000 0.899 274 L HN 0.417 nan 8.230 nan 0.000 0.433 275 A N 0.112 122.909 122.820 -0.038 0.000 1.898 275 A HA -0.255 4.065 4.320 -0.000 0.000 0.216 275 A C 2.135 179.672 177.584 -0.079 0.000 1.181 275 A CA 2.024 54.045 52.037 -0.028 0.000 0.620 275 A CB -0.839 18.154 19.000 -0.011 0.000 0.819 275 A HN 0.543 nan 8.150 nan 0.000 0.442 276 N N -0.301 118.329 118.700 -0.116 0.000 2.120 276 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 276 N C 1.773 177.157 175.510 -0.209 0.000 1.024 276 N CA 1.153 54.124 53.050 -0.132 0.000 0.852 276 N CB -0.156 38.255 38.487 -0.126 0.000 1.003 276 N HN 0.492 nan 8.380 nan 0.000 0.424 277 L N 0.758 121.764 121.223 -0.362 0.000 2.017 277 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 277 L C 2.697 179.267 176.870 -0.500 0.000 1.073 277 L CA 0.983 55.450 54.840 -0.623 0.000 0.745 277 L CB -0.405 40.891 42.059 -1.272 0.000 0.894 277 L HN 0.178 nan 8.230 nan 0.000 0.432 278 R N -0.200 120.121 120.500 -0.297 0.000 2.105 278 R HA -0.176 4.163 4.340 -0.000 0.000 0.239 278 R C 2.290 178.591 176.300 0.002 0.000 1.135 278 R CA 1.489 57.607 56.100 0.030 0.000 0.967 278 R CB -0.345 30.032 30.300 0.128 0.000 0.861 278 R HN 0.382 nan 8.270 nan 0.000 0.442 279 A N 0.520 123.313 122.820 -0.046 0.000 2.016 279 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 279 A C 1.806 179.369 177.584 -0.035 0.000 1.162 279 A CA 0.799 52.819 52.037 -0.028 0.000 0.662 279 A CB -0.002 18.979 19.000 -0.031 0.000 0.812 279 A HN 0.214 nan 8.150 nan 0.000 0.450 280 R N -1.252 119.205 120.500 -0.072 0.000 2.308 280 R HA 0.239 4.579 4.340 -0.000 0.000 0.202 280 R C -0.756 175.515 176.300 -0.049 0.000 0.898 280 R CA 0.180 56.243 56.100 -0.063 0.000 1.046 280 R CB 0.667 30.915 30.300 -0.086 0.000 1.026 280 R HN 0.237 nan 8.270 nan 0.000 0.512 281 V N 2.361 122.248 119.914 -0.046 0.000 2.349 281 V HA 0.126 4.246 4.120 -0.000 0.000 0.284 281 V C -0.406 175.739 176.094 0.085 0.000 1.014 281 V CA -1.200 61.109 62.300 0.016 0.000 0.826 281 V CB 1.356 33.185 31.823 0.010 0.000 1.009 281 V HN 0.175 nan 8.190 nan 0.000 0.431 282 N N 3.308 122.048 118.700 0.067 0.000 2.411 282 N HA 0.093 4.833 4.740 -0.000 0.000 0.261 282 N C 1.343 176.905 175.510 0.087 0.000 1.248 282 N CA 1.850 54.942 53.050 0.069 0.000 0.885 282 N CB 1.244 39.761 38.487 0.050 0.000 1.062 282 N HN 1.108 nan 8.380 nan 0.000 0.471 283 G N 3.469 112.319 108.800 0.084 0.000 2.184 283 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 283 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 283 G C 0.314 175.258 174.900 0.075 0.000 0.975 283 G CA 0.265 45.401 45.100 0.061 0.000 0.642 283 G HN 0.680 nan 8.290 nan 0.000 0.536 284 F N 1.120 121.067 119.950 -0.005 0.000 2.623 284 F HA 0.394 4.921 4.527 -0.000 0.000 0.381 284 F C 0.649 176.452 175.800 0.005 0.000 1.081 284 F CA 0.927 58.926 58.000 -0.003 0.000 1.293 284 F CB 0.329 39.325 39.000 -0.007 0.000 1.006 284 F HN 0.210 nan 8.300 nan 0.000 0.578 285 M N 7.206 126.221 119.600 -0.974 0.000 2.165 285 M HA 0.583 5.063 4.480 -0.000 0.000 0.283 285 M C -1.572 174.198 176.300 -0.885 0.000 0.978 285 M CA -0.532 54.348 55.300 -0.701 0.000 0.948 285 M CB 1.385 33.797 32.600 -0.314 0.000 1.599 285 M HN 0.731 nan 8.290 nan 0.000 0.450 286 A N 5.942 128.390 122.820 -0.620 0.000 2.290 286 A HA 0.738 5.058 4.320 -0.000 0.000 0.310 286 A C -0.785 176.776 177.584 -0.039 0.000 1.202 286 A CA -0.569 51.319 52.037 -0.247 0.000 0.837 286 A CB 0.382 19.418 19.000 0.060 0.000 1.139 286 A HN 0.906 nan 8.150 nan 0.000 0.509 287 I N 2.875 123.499 120.570 0.089 0.000 2.460 287 I HA 0.188 4.357 4.170 -0.000 0.000 0.277 287 I C -0.304 175.975 176.117 0.268 0.000 1.057 287 I CA 0.018 61.437 61.300 0.198 0.000 1.179 287 I CB 1.018 39.189 38.000 0.285 0.000 1.329 287 I HN 0.706 nan 8.210 nan 0.000 0.478 288 E N 5.102 125.394 120.200 0.153 0.000 2.227 288 E HA 0.369 4.719 4.350 -0.000 0.000 0.282 288 E C -0.800 175.818 176.600 0.031 0.000 1.015 288 E CA -0.643 55.797 56.400 0.067 0.000 0.823 288 E CB 2.537 32.249 29.700 0.020 0.000 1.081 288 E HN 0.232 nan 8.360 nan 0.000 0.396 289 V N 5.884 125.744 119.914 -0.091 0.000 2.364 289 V HA 0.232 4.352 4.120 -0.000 0.000 0.272 289 V C -1.876 173.925 176.094 -0.487 0.000 1.036 289 V CA -1.817 60.331 62.300 -0.253 0.000 0.880 289 V CB 0.768 32.439 31.823 -0.253 0.000 0.991 289 V HN 0.594 nan 8.190 nan 0.000 0.460 290 P HA 0.202 nan 4.420 nan 0.000 0.277 290 P C 0.585 177.713 177.300 -0.285 0.000 1.240 290 P CA -0.271 62.656 63.100 -0.289 0.000 0.798 290 P CB 1.629 33.253 31.700 -0.127 0.000 0.979 291 A N 2.825 125.552 122.820 -0.156 0.000 2.032 291 A HA -0.195 4.125 4.320 -0.000 0.000 0.221 291 A C 2.079 179.672 177.584 0.014 0.000 1.165 291 A CA 2.576 54.636 52.037 0.038 0.000 0.645 291 A CB -1.999 17.064 19.000 0.105 0.000 0.807 291 A HN 0.697 nan 8.150 nan 0.000 0.453 292 T N -2.426 112.117 114.554 -0.018 0.000 2.746 292 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 292 T C 1.871 176.572 174.700 0.002 0.000 1.039 292 T CA 1.686 63.785 62.100 -0.001 0.000 1.142 292 T CB -0.382 68.484 68.868 -0.002 0.000 0.866 292 T HN 0.629 nan 8.240 nan 0.000 0.444 293 Q N 0.253 120.031 119.800 -0.037 0.000 2.163 293 Q HA 0.215 4.555 4.340 -0.000 0.000 0.198 293 Q C 0.029 176.008 176.000 -0.035 0.000 0.954 293 Q CA 0.590 56.373 55.803 -0.032 0.000 0.851 293 Q CB 0.439 29.125 28.738 -0.086 0.000 0.928 293 Q HN 0.397 nan 8.270 nan 0.000 0.459 294 V N 1.509 121.382 119.914 -0.069 0.000 2.567 294 V HA 0.172 4.292 4.120 -0.000 0.000 0.298 294 V C -0.269 175.904 176.094 0.131 0.000 1.047 294 V CA -0.820 61.490 62.300 0.017 0.000 0.880 294 V CB 1.645 33.442 31.823 -0.043 0.000 1.009 294 V HN 0.232 nan 8.190 nan 0.000 0.429 295 S N 3.557 119.324 115.700 0.111 0.000 2.600 295 S HA 0.346 4.816 4.470 -0.000 0.000 0.265 295 S C 1.173 175.807 174.600 0.057 0.000 1.325 295 S CA -0.354 57.908 58.200 0.103 0.000 1.002 295 S CB 1.606 64.843 63.200 0.061 0.000 0.921 295 S HN 0.400 nan 8.310 nan 0.000 0.554 296 V N 1.915 121.795 119.914 -0.056 0.000 2.407 296 V HA -0.145 3.974 4.120 -0.000 0.000 0.248 296 V C 2.737 178.775 176.094 -0.094 0.000 1.055 296 V CA 2.272 64.444 62.300 -0.213 0.000 1.049 296 V CB -1.328 30.333 31.823 -0.270 0.000 0.662 296 V HN 0.968 nan 8.190 nan 0.000 0.455 297 S N 0.059 115.736 115.700 -0.039 0.000 2.359 297 S HA -0.221 4.249 4.470 -0.000 0.000 0.224 297 S C 1.717 176.309 174.600 -0.013 0.000 1.035 297 S CA 1.687 59.881 58.200 -0.009 0.000 1.018 297 S CB -0.391 62.816 63.200 0.012 0.000 0.876 297 S HN 0.614 nan 8.310 nan 0.000 0.448 298 D N 0.665 121.049 120.400 -0.027 0.000 2.269 298 D HA -0.000 4.639 4.640 -0.000 0.000 0.208 298 D C 1.955 178.193 176.300 -0.103 0.000 0.963 298 D CA 0.827 54.749 54.000 -0.130 0.000 0.864 298 D CB -0.505 40.208 40.800 -0.145 0.000 0.936 298 D HN 0.286 nan 8.370 nan 0.000 0.505 299 T N 0.052 114.597 114.554 -0.016 0.000 2.737 299 T HA -0.060 4.290 4.350 -0.000 0.000 0.265 299 T C 2.136 176.871 174.700 0.059 0.000 1.038 299 T CA 0.591 62.721 62.100 0.050 0.000 1.144 299 T CB -0.040 68.883 68.868 0.092 0.000 0.866 299 T HN -0.025 nan 8.240 nan 0.000 0.434 300 V N 2.082 122.020 119.914 0.039 0.000 2.548 300 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 300 V C 2.701 178.935 176.094 0.232 0.000 1.055 300 V CA 1.791 64.164 62.300 0.122 0.000 1.065 300 V CB -0.584 31.282 31.823 0.073 0.000 0.681 300 V HN 0.622 nan 8.190 nan 0.000 0.462 301 S N 0.506 116.267 115.700 0.101 0.000 2.414 301 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 301 S C 1.918 176.550 174.600 0.054 0.000 1.022 301 S CA 1.367 59.603 58.200 0.061 0.000 0.958 301 S CB -0.441 62.763 63.200 0.006 0.000 0.797 301 S HN 0.698 nan 8.310 nan 0.000 0.493 302 T N -4.390 110.196 114.554 0.054 0.000 3.014 302 T HA 0.191 4.541 4.350 -0.000 0.000 0.250 302 T C 0.250 175.078 174.700 0.213 0.000 1.060 302 T CA -0.066 62.073 62.100 0.065 0.000 1.040 302 T CB -0.675 68.181 68.868 -0.021 0.000 0.971 302 T HN 0.224 nan 8.240 nan 0.000 0.497 303 Y N 0.369 120.663 120.300 -0.011 0.000 3.689 303 Y HA -0.167 4.382 4.550 -0.001 0.000 0.221 303 Y C 1.176 177.075 175.900 -0.002 0.000 1.247 303 Y CA -0.232 57.874 58.100 0.009 0.000 1.671 303 Y CB -2.340 36.134 38.460 0.023 0.000 1.521 303 Y HN 0.361 nan 8.280 nan 0.000 0.632 304 L N -0.754 120.476 121.223 0.010 0.000 2.043 304 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 304 L C 1.879 178.587 176.870 -0.270 0.000 1.075 304 L CA 2.261 57.006 54.840 -0.159 0.000 0.752 304 L CB -0.671 41.157 42.059 -0.386 0.000 0.891 304 L HN 0.244 nan 8.230 nan 0.000 0.432 305 F N -1.089 118.842 119.950 -0.032 0.000 2.789 305 F HA 0.109 4.636 4.527 -0.000 0.000 0.300 305 F C 1.881 177.640 175.800 -0.069 0.000 1.132 305 F CA 0.371 58.314 58.000 -0.095 0.000 1.404 305 F CB -0.577 38.261 39.000 -0.271 0.000 1.114 305 F HN 0.241 nan 8.300 nan 0.000 0.584 306 N N 0.931 119.645 118.700 0.024 0.000 2.346 306 N HA -0.013 4.727 4.740 -0.000 0.000 0.225 306 N C -0.030 175.549 175.510 0.116 0.000 1.144 306 N CA -0.113 52.943 53.050 0.010 0.000 0.837 306 N CB 0.201 38.653 38.487 -0.059 0.000 1.069 306 N HN 0.177 nan 8.380 nan 0.000 0.487 307 S N -0.507 115.277 115.700 0.139 0.000 2.652 307 S HA 0.258 4.728 4.470 -0.000 0.000 0.270 307 S C -0.045 174.629 174.600 0.123 0.000 1.243 307 S CA -0.660 57.627 58.200 0.145 0.000 0.999 307 S CB 1.778 65.076 63.200 0.163 0.000 0.973 307 S HN 0.183 nan 8.310 nan 0.000 0.544 308 Q N 0.395 120.245 119.800 0.083 0.000 2.278 308 Q HA 0.448 4.787 4.340 -0.000 0.000 0.257 308 Q C -1.316 174.697 176.000 0.022 0.000 0.928 308 Q CA -0.660 55.166 55.803 0.039 0.000 0.932 308 Q CB 1.442 30.168 28.738 -0.019 0.000 1.221 308 Q HN 0.576 nan 8.270 nan 0.000 0.434 309 L N 5.319 126.568 121.223 0.044 0.000 2.264 309 L HA 0.391 4.731 4.340 -0.000 0.000 0.287 309 L C -1.464 175.417 176.870 0.020 0.000 1.039 309 L CA 0.037 54.896 54.840 0.031 0.000 0.829 309 L CB 0.359 42.466 42.059 0.081 0.000 1.211 309 L HN 0.514 nan 8.230 nan 0.000 0.427 310 L N 3.101 124.299 121.223 -0.042 0.000 2.344 310 L HA 0.566 4.906 4.340 -0.000 0.000 0.272 310 L C 0.362 177.307 176.870 0.125 0.000 1.035 310 L CA -0.673 54.151 54.840 -0.027 0.000 0.807 310 L CB 1.681 43.474 42.059 -0.444 0.000 1.237 310 L HN 0.464 nan 8.230 nan 0.000 0.442 311 S N 1.409 117.269 115.700 0.268 0.000 2.457 311 S HA 0.440 4.910 4.470 -0.000 0.000 0.289 311 S C -0.181 174.569 174.600 0.251 0.000 1.163 311 S CA -0.735 57.585 58.200 0.199 0.000 1.078 311 S CB 0.795 64.067 63.200 0.120 0.000 0.987 311 S HN 0.433 nan 8.310 nan 0.000 0.482 312 R N 1.688 122.272 120.500 0.141 0.000 2.500 312 R HA 0.185 4.525 4.340 -0.000 0.000 0.275 312 R C 0.236 176.531 176.300 -0.009 0.000 1.051 312 R CA -0.636 55.508 56.100 0.072 0.000 1.088 312 R CB 0.385 30.722 30.300 0.061 0.000 1.063 312 R HN 0.528 nan 8.270 nan 0.000 0.511 313 D N 1.062 121.421 120.400 -0.068 0.000 2.239 313 D HA -0.201 4.439 4.640 -0.000 0.000 0.202 313 D C 0.953 177.237 176.300 -0.026 0.000 0.993 313 D CA 1.592 55.555 54.000 -0.061 0.000 0.874 313 D CB -0.015 40.734 40.800 -0.086 0.000 0.922 313 D HN 0.574 nan 8.370 nan 0.000 0.464 314 D N -1.661 118.724 120.400 -0.024 0.000 2.328 314 D HA 0.146 4.786 4.640 -0.000 0.000 0.221 314 D C 1.593 177.880 176.300 -0.022 0.000 1.072 314 D CA 0.617 54.607 54.000 -0.017 0.000 0.850 314 D CB 0.019 40.808 40.800 -0.018 0.000 0.922 314 D HN 0.242 nan 8.370 nan 0.000 0.516 315 G N 0.376 109.158 108.800 -0.030 0.000 2.268 315 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.240 315 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.240 315 G C 0.540 175.412 174.900 -0.047 0.000 1.010 315 G CA 0.368 45.437 45.100 -0.053 0.000 0.618 315 G HN 0.813 nan 8.290 nan 0.000 0.516 316 S N 0.316 115.998 115.700 -0.030 0.000 2.608 316 S HA 0.756 5.226 4.470 -0.000 0.000 0.261 316 S C 0.340 174.933 174.600 -0.012 0.000 1.314 316 S CA 0.074 58.256 58.200 -0.031 0.000 0.992 316 S CB 1.243 64.427 63.200 -0.028 0.000 0.935 316 S HN 0.492 nan 8.310 nan 0.000 0.564 317 M N 1.303 120.888 119.600 -0.025 0.000 2.662 317 M HA 0.496 4.976 4.480 -0.000 0.000 0.310 317 M C -0.582 175.706 176.300 -0.019 0.000 1.204 317 M CA -0.485 54.809 55.300 -0.011 0.000 0.891 317 M CB 2.258 34.834 32.600 -0.039 0.000 1.732 317 M HN 0.810 nan 8.290 nan 0.000 0.467 318 M N 2.443 122.041 119.600 -0.004 0.000 2.393 318 M HA 0.555 5.035 4.480 -0.000 0.000 0.316 318 M C -2.108 174.161 176.300 -0.052 0.000 1.087 318 M CA -0.689 54.600 55.300 -0.020 0.000 0.937 318 M CB 1.724 34.342 32.600 0.030 0.000 1.668 318 M HN 0.662 nan 8.290 nan 0.000 0.438 319 L N 5.184 126.376 121.223 -0.052 0.000 2.265 319 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 319 L C -0.995 175.891 176.870 0.028 0.000 1.033 319 L CA -0.861 53.959 54.840 -0.034 0.000 0.814 319 L CB 1.740 43.754 42.059 -0.076 0.000 1.203 319 L HN 0.501 nan 8.230 nan 0.000 0.423 320 V N 6.124 126.068 119.914 0.049 0.000 2.368 320 V HA 0.339 4.459 4.120 -0.000 0.000 0.266 320 V C 0.201 176.393 176.094 0.163 0.000 1.045 320 V CA -0.212 62.167 62.300 0.132 0.000 0.899 320 V CB 1.094 32.978 31.823 0.102 0.000 1.006 320 V HN 0.519 nan 8.190 nan 0.000 0.470 321 L N 7.637 128.971 121.223 0.185 0.000 2.303 321 L HA 0.680 5.020 4.340 -0.000 0.000 0.266 321 L C -2.341 174.640 176.870 0.185 0.000 1.011 321 L CA -1.995 52.951 54.840 0.176 0.000 0.818 321 L CB 2.513 44.673 42.059 0.168 0.000 1.326 321 L HN 0.360 nan 8.230 nan 0.000 0.435 322 P HA 0.147 nan 4.420 nan 0.000 0.279 322 P C -0.514 176.829 177.300 0.071 0.000 1.252 322 P CA -0.499 62.682 63.100 0.136 0.000 0.811 322 P CB 1.091 32.867 31.700 0.126 0.000 1.035 323 Q N 0.610 120.431 119.800 0.035 0.000 2.197 323 Q HA -0.203 4.136 4.340 -0.000 0.000 0.207 323 Q C 1.720 177.693 176.000 -0.045 0.000 0.984 323 Q CA 1.594 57.375 55.803 -0.037 0.000 0.869 323 Q CB -0.097 28.621 28.738 -0.034 0.000 0.906 323 Q HN 0.558 nan 8.270 nan 0.000 0.426 324 E N 0.163 120.364 120.200 0.002 0.000 2.219 324 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 324 E C 1.992 178.625 176.600 0.056 0.000 0.998 324 E CA 1.043 57.457 56.400 0.023 0.000 0.818 324 E CB -0.787 28.929 29.700 0.025 0.000 0.741 324 E HN 0.374 nan 8.360 nan 0.000 0.477 325 C N 0.901 120.241 119.300 0.067 0.000 2.435 325 C HA -0.011 4.449 4.460 -0.000 0.000 0.279 325 C C 2.779 177.850 174.990 0.134 0.000 1.321 325 C CA 0.850 59.957 59.018 0.148 0.000 1.752 325 C CB -0.992 26.865 27.740 0.194 0.000 1.959 325 C HN 0.449 nan 8.230 nan 0.000 0.500 326 R N 0.860 121.249 120.500 -0.185 0.000 2.200 326 R HA -0.003 4.337 4.340 -0.000 0.000 0.208 326 R C 1.735 177.759 176.300 -0.461 0.000 1.033 326 R CA 0.938 56.580 56.100 -0.764 0.000 1.000 326 R CB -0.101 29.519 30.300 -1.133 0.000 0.906 326 R HN 0.563 nan 8.270 nan 0.000 0.462 327 E N -0.970 119.122 120.200 -0.180 0.000 2.478 327 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 327 E C -0.455 176.163 176.600 0.030 0.000 1.045 327 E CA 0.142 56.490 56.400 -0.087 0.000 0.868 327 E CB 0.216 29.885 29.700 -0.051 0.000 0.885 327 E HN 0.306 nan 8.360 nan 0.000 0.505 328 H N -0.175 118.903 119.070 0.013 0.000 2.597 328 H HA 0.333 4.889 4.556 -0.000 0.000 0.303 328 H C 0.831 176.239 175.328 0.134 0.000 1.057 328 H CA -0.157 55.934 56.048 0.071 0.000 1.261 328 H CB 1.069 30.886 29.762 0.091 0.000 1.397 328 H HN 0.019 nan 8.280 nan 0.000 0.461 329 A N 3.855 126.602 122.820 -0.121 0.000 1.892 329 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 329 A C 2.434 180.069 177.584 0.086 0.000 1.188 329 A CA 1.877 53.921 52.037 0.012 0.000 0.631 329 A CB -1.230 17.740 19.000 -0.050 0.000 0.822 329 A HN 0.866 nan 8.150 nan 0.000 0.447 330 G N -0.900 107.879 108.800 -0.036 0.000 2.421 330 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 330 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 330 G C 1.524 176.632 174.900 0.346 0.000 1.171 330 G CA 1.236 46.437 45.100 0.168 0.000 0.775 330 G HN 0.342 nan 8.290 nan 0.000 0.543 331 V N -0.123 120.144 119.914 0.589 0.000 2.358 331 V HA -0.125 3.995 4.120 -0.000 0.000 0.246 331 V C 2.237 178.580 176.094 0.414 0.000 1.047 331 V CA 1.558 64.116 62.300 0.430 0.000 1.035 331 V CB -0.568 31.445 31.823 0.317 0.000 0.658 331 V HN 0.640 nan 8.190 nan 0.000 0.452 332 W N 1.022 122.426 121.300 0.172 0.000 2.363 332 W HA -0.150 4.509 4.660 -0.001 0.000 0.296 332 W C 2.127 178.685 176.519 0.064 0.000 1.212 332 W CA 1.215 58.615 57.345 0.091 0.000 1.260 332 W CB -0.231 29.265 29.460 0.060 0.000 1.131 332 W HN 0.369 nan 8.180 nan 0.000 0.530 333 G N -0.325 108.552 108.800 0.128 0.000 2.421 333 G HA2 -0.402 3.557 3.960 -0.000 0.000 0.216 333 G HA3 -0.402 3.557 3.960 -0.000 0.000 0.216 333 G C 1.180 176.051 174.900 -0.049 0.000 1.171 333 G CA 1.196 46.286 45.100 -0.016 0.000 0.775 333 G HN 0.426 nan 8.290 nan 0.000 0.543 334 Y N 1.230 121.521 120.300 -0.015 0.000 2.145 334 Y HA -0.042 4.507 4.550 -0.001 0.000 0.286 334 Y C 2.576 178.427 175.900 -0.081 0.000 1.145 334 Y CA 1.399 59.487 58.100 -0.019 0.000 1.148 334 Y CB -0.424 38.062 38.460 0.043 0.000 0.981 334 Y HN 0.109 nan 8.280 nan 0.000 0.507 335 L N 0.406 121.477 121.223 -0.253 0.000 2.042 335 L HA -0.305 4.035 4.340 -0.000 0.000 0.210 335 L C 2.294 178.837 176.870 -0.544 0.000 1.076 335 L CA 1.632 56.233 54.840 -0.398 0.000 0.749 335 L CB -0.669 41.281 42.059 -0.183 0.000 0.893 335 L HN 0.338 nan 8.230 nan 0.000 0.432 336 N N -0.316 118.021 118.700 -0.606 0.000 2.244 336 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 336 N C 1.724 177.000 175.510 -0.390 0.000 1.016 336 N CA 1.086 53.803 53.050 -0.555 0.000 0.866 336 N CB 0.015 38.141 38.487 -0.602 0.000 0.980 336 N HN 0.469 nan 8.380 nan 0.000 0.430 337 E N 0.486 120.460 120.200 -0.376 0.000 2.072 337 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 337 E C 1.894 178.288 176.600 -0.343 0.000 0.985 337 E CA 0.459 56.682 56.400 -0.296 0.000 0.801 337 E CB -0.018 29.543 29.700 -0.231 0.000 0.750 337 E HN 0.095 nan 8.360 nan 0.000 0.452 338 L N 1.068 121.969 121.223 -0.537 0.000 2.046 338 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 338 L C 2.192 178.866 176.870 -0.326 0.000 1.077 338 L CA 1.262 55.819 54.840 -0.471 0.000 0.747 338 L CB -0.494 41.172 42.059 -0.654 0.000 0.896 338 L HN 0.137 nan 8.230 nan 0.000 0.432 339 L N -0.135 120.887 121.223 -0.335 0.000 2.012 339 L HA -0.131 4.208 4.340 -0.000 0.000 0.210 339 L C 2.479 179.231 176.870 -0.197 0.000 1.073 339 L CA 2.244 56.930 54.840 -0.257 0.000 0.748 339 L CB -1.116 40.777 42.059 -0.277 0.000 0.891 339 L HN 0.277 nan 8.230 nan 0.000 0.431 340 A N 0.024 122.726 122.820 -0.196 0.000 1.873 340 A HA 0.183 4.503 4.320 -0.000 0.000 0.215 340 A C 1.602 179.113 177.584 -0.122 0.000 1.186 340 A CA 0.883 52.833 52.037 -0.145 0.000 0.616 340 A CB -1.397 17.521 19.000 -0.137 0.000 0.823 340 A HN 0.588 nan 8.150 nan 0.000 0.442 341 A N 0.393 123.134 122.820 -0.132 0.000 2.577 341 A HA 0.246 4.565 4.320 -0.000 0.000 0.233 341 A C 0.061 177.590 177.584 -0.091 0.000 1.076 341 A CA 0.390 52.366 52.037 -0.102 0.000 0.767 341 A CB -0.162 18.776 19.000 -0.103 0.000 1.017 341 A HN 0.412 nan 8.150 nan 0.000 0.511 342 D N 0.927 121.286 120.400 -0.069 0.000 2.344 342 D HA 0.400 5.040 4.640 -0.000 0.000 0.253 342 D C -0.207 176.054 176.300 -0.064 0.000 1.255 342 D CA 0.389 54.352 54.000 -0.062 0.000 0.894 342 D CB -0.396 40.376 40.800 -0.046 0.000 1.067 342 D HN 0.690 nan 8.370 nan 0.000 0.492 343 N N 1.360 120.014 118.700 -0.075 0.000 3.356 343 N HA 0.310 5.050 4.740 -0.000 0.000 0.246 343 N C -2.667 172.791 175.510 -0.087 0.000 1.480 343 N CA -0.974 52.028 53.050 -0.080 0.000 0.877 343 N CB 0.188 38.622 38.487 -0.089 0.000 1.431 343 N HN -0.099 nan 8.380 nan 0.000 0.500 344 P HA 0.212 nan 4.420 nan 0.000 0.230 344 P C -0.348 176.892 177.300 -0.100 0.000 1.158 344 P CA 0.747 63.794 63.100 -0.088 0.000 0.769 344 P CB 0.187 31.834 31.700 -0.087 0.000 0.807 345 I N 0.042 120.532 120.570 -0.134 0.000 2.311 345 I HA 0.029 4.199 4.170 -0.000 0.000 0.297 345 I C 0.672 176.707 176.117 -0.137 0.000 1.131 345 I CA 0.354 61.558 61.300 -0.160 0.000 1.289 345 I CB 0.232 38.083 38.000 -0.248 0.000 1.446 345 I HN -0.128 nan 8.210 nan 0.000 0.524 346 S N 4.291 119.932 115.700 -0.098 0.000 2.539 346 S HA 0.172 4.642 4.470 -0.000 0.000 0.221 346 S C 0.296 174.854 174.600 -0.070 0.000 0.987 346 S CA -0.214 57.936 58.200 -0.082 0.000 0.929 346 S CB 0.161 63.326 63.200 -0.059 0.000 0.832 346 S HN 0.702 nan 8.310 nan 0.000 0.492 347 E N 0.796 120.956 120.200 -0.067 0.000 2.352 347 E HA 0.474 4.824 4.350 -0.000 0.000 0.280 347 E C -1.909 174.666 176.600 -0.042 0.000 0.930 347 E CA -0.538 55.836 56.400 -0.042 0.000 0.765 347 E CB 1.214 30.912 29.700 -0.004 0.000 1.219 347 E HN 0.089 nan 8.360 nan 0.000 0.434 348 L N 3.095 124.307 121.223 -0.019 0.000 2.365 348 L HA 0.623 4.963 4.340 -0.000 0.000 0.273 348 L C -0.484 176.418 176.870 0.053 0.000 1.000 348 L CA -0.829 54.026 54.840 0.024 0.000 0.819 348 L CB 1.979 44.068 42.059 0.050 0.000 1.284 348 L HN 0.401 nan 8.230 nan 0.000 0.418 349 K N 2.067 122.495 120.400 0.046 0.000 2.507 349 K HA 0.652 4.971 4.320 -0.000 0.000 0.251 349 K C -1.663 174.893 176.600 -0.074 0.000 0.943 349 K CA -0.514 55.748 56.287 -0.042 0.000 0.794 349 K CB 2.486 34.978 32.500 -0.013 0.000 1.188 349 K HN 0.332 nan 8.250 nan 0.000 0.428 350 V N 4.544 124.316 119.914 -0.236 0.000 2.581 350 V HA 0.602 4.722 4.120 -0.000 0.000 0.303 350 V C -0.870 174.945 176.094 -0.466 0.000 1.041 350 V CA -0.665 61.513 62.300 -0.203 0.000 0.907 350 V CB 1.283 33.003 31.823 -0.171 0.000 0.994 350 V HN 0.607 nan 8.190 nan 0.000 0.442 351 F N 1.005 120.957 119.950 0.004 0.000 2.565 351 F HA 0.409 4.936 4.527 0.000 0.000 0.313 351 F C -0.045 175.759 175.800 0.006 0.000 1.091 351 F CA -0.799 57.205 58.000 0.007 0.000 0.915 351 F CB 1.781 40.792 39.000 0.018 0.000 1.208 351 F HN 0.441 nan 8.300 nan 0.000 0.453 352 D N 3.586 124.103 120.400 0.195 0.000 2.352 352 D HA 0.256 4.896 4.640 -0.000 0.000 0.245 352 D C -0.289 176.088 176.300 0.129 0.000 1.224 352 D CA 0.424 54.492 54.000 0.114 0.000 0.879 352 D CB 0.419 41.266 40.800 0.077 0.000 1.057 352 D HN 0.529 nan 8.370 nan 0.000 0.491 353 L N 4.410 125.697 121.223 0.108 0.000 3.255 353 L HA 0.310 4.650 4.340 -0.000 0.000 0.293 353 L C 1.975 178.890 176.870 0.074 0.000 1.302 353 L CA -0.434 54.463 54.840 0.095 0.000 0.977 353 L CB 0.345 42.471 42.059 0.111 0.000 1.390 353 L HN 0.207 nan 8.230 nan 0.000 0.588 354 R N 0.316 120.853 120.500 0.061 0.000 2.117 354 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 354 R C 1.677 178.022 176.300 0.075 0.000 1.143 354 R CA 1.439 57.564 56.100 0.043 0.000 0.968 354 R CB 0.092 30.417 30.300 0.041 0.000 0.863 354 R HN 0.399 nan 8.270 nan 0.000 0.444 355 E N -0.053 120.223 120.200 0.126 0.000 2.072 355 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 355 E C 1.986 178.748 176.600 0.269 0.000 0.985 355 E CA 1.159 57.707 56.400 0.247 0.000 0.801 355 E CB -0.297 29.481 29.700 0.130 0.000 0.750 355 E HN 0.156 nan 8.360 nan 0.000 0.452 356 S N 0.104 115.905 115.700 0.168 0.000 2.368 356 S HA -0.090 4.379 4.470 -0.000 0.000 0.224 356 S C 1.921 176.680 174.600 0.266 0.000 1.029 356 S CA 0.770 59.162 58.200 0.319 0.000 0.988 356 S CB 0.007 63.399 63.200 0.319 0.000 0.838 356 S HN 0.084 nan 8.310 nan 0.000 0.462 357 M N 1.280 120.929 119.600 0.081 0.000 2.213 357 M HA 0.022 4.502 4.480 -0.000 0.000 0.263 357 M C 2.341 178.524 176.300 -0.194 0.000 1.062 357 M CA 1.269 56.500 55.300 -0.114 0.000 1.105 357 M CB -1.637 30.880 32.600 -0.138 0.000 1.385 357 M HN 0.500 nan 8.290 nan 0.000 0.417 358 A N -0.156 122.549 122.820 -0.191 0.000 2.121 358 A HA -0.111 4.209 4.320 -0.000 0.000 0.218 358 A C 1.702 179.086 177.584 -0.332 0.000 1.154 358 A CA 1.341 52.970 52.037 -0.680 0.000 0.679 358 A CB -0.489 17.987 19.000 -0.873 0.000 0.795 358 A HN 0.456 nan 8.150 nan 0.000 0.458 359 N N -1.119 117.655 118.700 0.124 0.000 2.234 359 N HA 0.232 4.972 4.740 -0.000 0.000 0.227 359 N C 0.771 176.213 175.510 -0.113 0.000 1.151 359 N CA 0.823 53.985 53.050 0.185 0.000 0.865 359 N CB 0.597 39.400 38.487 0.527 0.000 1.066 359 N HN 0.509 nan 8.380 nan 0.000 0.515 360 G N -0.499 108.212 108.800 -0.149 0.000 2.149 360 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.235 360 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.235 360 G C 0.240 175.073 174.900 -0.111 0.000 1.018 360 G CA -0.025 44.994 45.100 -0.134 0.000 0.728 360 G HN 0.537 nan 8.290 nan 0.000 0.508 361 G N -0.627 108.049 108.800 -0.207 0.000 2.544 361 G HA2 0.808 4.768 3.960 -0.000 0.000 0.313 361 G HA3 0.808 4.768 3.960 -0.000 0.000 0.313 361 G C 0.371 175.371 174.900 0.168 0.000 1.316 361 G CA 0.409 45.447 45.100 -0.104 0.000 0.944 361 G HN 1.025 nan 8.290 nan 0.000 0.489 362 G N 1.607 110.594 108.800 0.312 0.000 2.828 362 G HA2 0.628 4.588 3.960 -0.000 0.000 0.244 362 G HA3 0.628 4.588 3.960 -0.000 0.000 0.244 362 G C -1.405 173.641 174.900 0.243 0.000 1.365 362 G CA -1.141 44.140 45.100 0.302 0.000 1.041 362 G HN 0.331 nan 8.290 nan 0.000 0.560 363 P HA -0.076 nan 4.420 nan 0.000 0.215 363 P C 1.995 179.363 177.300 0.114 0.000 1.157 363 P CA 2.379 65.552 63.100 0.122 0.000 0.868 363 P CB 0.109 31.878 31.700 0.114 0.000 0.788 364 A N -1.218 121.677 122.820 0.125 0.000 1.929 364 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 364 A C 2.347 180.007 177.584 0.127 0.000 1.176 364 A CA 1.464 53.562 52.037 0.101 0.000 0.628 364 A CB -1.716 17.332 19.000 0.080 0.000 0.816 364 A HN 0.205 nan 8.150 nan 0.000 0.444 365 C N -0.629 118.774 119.300 0.172 0.000 2.411 365 C HA -0.049 4.410 4.460 -0.000 0.000 0.279 365 C C 2.303 177.509 174.990 0.359 0.000 1.288 365 C CA 0.893 60.050 59.018 0.232 0.000 1.764 365 C CB -1.438 26.427 27.740 0.209 0.000 1.974 365 C HN 0.592 nan 8.230 nan 0.000 0.498 366 L N 0.514 121.930 121.223 0.322 0.000 2.599 366 L HA 0.056 4.396 4.340 -0.000 0.000 0.230 366 L C 0.854 177.806 176.870 0.137 0.000 1.141 366 L CA 0.390 55.371 54.840 0.236 0.000 0.877 366 L CB -0.393 41.764 42.059 0.163 0.000 1.009 366 L HN 0.494 nan 8.230 nan 0.000 0.447 367 R N -0.161 120.418 120.500 0.131 0.000 2.771 367 R HA 0.680 5.019 4.340 -0.000 0.000 0.274 367 R C -1.412 174.957 176.300 0.115 0.000 0.987 367 R CA -0.765 55.401 56.100 0.111 0.000 0.908 367 R CB 1.423 31.767 30.300 0.073 0.000 1.213 367 R HN -0.139 nan 8.270 nan 0.000 0.468 368 L N 1.286 122.595 121.223 0.143 0.000 2.372 368 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 368 L C -0.879 176.080 176.870 0.149 0.000 0.988 368 L CA -0.568 54.339 54.840 0.110 0.000 0.833 368 L CB 1.714 43.817 42.059 0.073 0.000 1.236 368 L HN 0.683 nan 8.230 nan 0.000 0.410 369 R N 4.002 124.559 120.500 0.094 0.000 2.267 369 R HA 0.570 4.909 4.340 -0.000 0.000 0.319 369 R C -1.116 175.230 176.300 0.076 0.000 1.067 369 R CA -0.362 55.794 56.100 0.093 0.000 0.936 369 R CB 1.019 31.348 30.300 0.048 0.000 1.006 369 R HN 0.473 nan 8.270 nan 0.000 0.452 370 V N 4.770 124.771 119.914 0.145 0.000 2.357 370 V HA 0.142 4.261 4.120 -0.000 0.000 0.281 370 V C -0.083 176.100 176.094 0.148 0.000 1.015 370 V CA -0.866 61.499 62.300 0.109 0.000 0.827 370 V CB 1.726 33.604 31.823 0.092 0.000 1.018 370 V HN 0.485 nan 8.190 nan 0.000 0.432 371 V N 7.093 127.058 119.914 0.084 0.000 2.521 371 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 371 V C -0.003 176.192 176.094 0.167 0.000 1.034 371 V CA 0.263 62.620 62.300 0.096 0.000 1.045 371 V CB 0.934 32.815 31.823 0.095 0.000 0.974 371 V HN 0.622 nan 8.190 nan 0.000 0.480 372 L N 4.694 126.037 121.223 0.201 0.000 2.431 372 L HA 0.521 4.861 4.340 -0.000 0.000 0.266 372 L C 0.444 177.386 176.870 0.120 0.000 0.978 372 L CA -0.606 54.358 54.840 0.208 0.000 0.822 372 L CB 2.606 44.840 42.059 0.292 0.000 1.310 372 L HN 0.733 nan 8.230 nan 0.000 0.409 373 T N -2.919 111.679 114.554 0.073 0.000 2.726 373 T HA 0.084 4.434 4.350 -0.000 0.000 0.294 373 T C 0.928 175.574 174.700 -0.089 0.000 1.013 373 T CA -0.228 61.861 62.100 -0.019 0.000 0.996 373 T CB 1.262 70.122 68.868 -0.014 0.000 1.016 373 T HN 0.790 nan 8.240 nan 0.000 0.529 374 E N 0.032 120.124 120.200 -0.180 0.000 2.058 374 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 374 E C 2.034 178.571 176.600 -0.106 0.000 0.997 374 E CA 1.611 57.877 56.400 -0.222 0.000 0.801 374 E CB -0.119 29.439 29.700 -0.236 0.000 0.746 374 E HN 0.876 nan 8.360 nan 0.000 0.450 375 E N 0.060 120.215 120.200 -0.075 0.000 2.106 375 E HA -0.208 4.141 4.350 -0.000 0.000 0.192 375 E C 1.816 178.402 176.600 -0.023 0.000 0.984 375 E CA 1.291 57.661 56.400 -0.050 0.000 0.806 375 E CB 0.117 29.781 29.700 -0.059 0.000 0.750 375 E HN 0.335 nan 8.360 nan 0.000 0.458 376 E N -0.013 120.188 120.200 0.001 0.000 2.107 376 E HA -0.158 4.191 4.350 -0.000 0.000 0.191 376 E C 2.191 178.951 176.600 0.266 0.000 0.982 376 E CA 0.535 56.983 56.400 0.079 0.000 0.809 376 E CB -0.046 29.728 29.700 0.125 0.000 0.756 376 E HN 0.098 nan 8.360 nan 0.000 0.459 377 R N 0.978 121.577 120.500 0.165 0.000 2.081 377 R HA -0.145 4.194 4.340 -0.000 0.000 0.235 377 R C 2.340 178.714 176.300 0.123 0.000 1.131 377 R CA 1.411 57.607 56.100 0.161 0.000 0.960 377 R CB 0.010 30.346 30.300 0.060 0.000 0.856 377 R HN -0.098 nan 8.270 nan 0.000 0.436 378 R N 0.200 120.740 120.500 0.067 0.000 2.189 378 R HA 0.024 4.364 4.340 -0.000 0.000 0.223 378 R C 1.564 177.909 176.300 0.076 0.000 1.092 378 R CA 1.599 57.727 56.100 0.046 0.000 0.989 378 R CB -0.333 29.971 30.300 0.007 0.000 0.876 378 R HN 0.273 nan 8.270 nan 0.000 0.457 379 A N 0.064 122.964 122.820 0.134 0.000 2.067 379 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 379 A C 0.515 178.267 177.584 0.281 0.000 1.156 379 A CA 0.251 52.401 52.037 0.188 0.000 0.683 379 A CB -0.040 19.043 19.000 0.138 0.000 0.808 379 A HN 0.096 nan 8.150 nan 0.000 0.455 380 V N 1.991 122.050 119.914 0.241 0.000 2.740 380 V HA -0.033 4.087 4.120 -0.000 0.000 0.303 380 V C 0.770 176.845 176.094 -0.032 0.000 1.054 380 V CA -0.550 61.767 62.300 0.028 0.000 1.106 380 V CB 0.311 32.135 31.823 0.000 0.000 0.957 380 V HN 0.590 nan 8.190 nan 0.000 0.486 381 N N 5.823 124.447 118.700 -0.126 0.000 2.374 381 N HA 0.003 4.743 4.740 -0.000 0.000 0.269 381 N C -1.642 173.824 175.510 -0.074 0.000 1.310 381 N CA -1.021 51.973 53.050 -0.094 0.000 0.877 381 N CB 1.374 39.779 38.487 -0.136 0.000 1.096 381 N HN 0.337 nan 8.380 nan 0.000 0.484 382 P HA -0.067 nan 4.420 nan 0.000 0.218 382 P C 0.708 177.981 177.300 -0.045 0.000 1.149 382 P CA 1.108 64.188 63.100 -0.034 0.000 0.817 382 P CB 0.125 31.814 31.700 -0.018 0.000 0.785 383 A N -0.416 122.373 122.820 -0.052 0.000 2.178 383 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 383 A C 1.889 179.432 177.584 -0.068 0.000 1.157 383 A CA 1.688 53.692 52.037 -0.056 0.000 0.689 383 A CB -1.328 17.636 19.000 -0.060 0.000 0.787 383 A HN 0.253 nan 8.150 nan 0.000 0.465 384 V N -4.482 115.385 119.914 -0.079 0.000 3.621 384 V HA 0.281 4.401 4.120 -0.000 0.000 0.285 384 V C 0.525 176.551 176.094 -0.113 0.000 1.346 384 V CA -0.382 61.867 62.300 -0.085 0.000 1.104 384 V CB -0.626 31.156 31.823 -0.069 0.000 0.913 384 V HN 0.288 nan 8.190 nan 0.000 0.432 385 M N 1.725 121.261 119.600 -0.107 0.000 2.228 385 M HA 0.438 4.918 4.480 -0.000 0.000 0.351 385 M C -0.144 176.106 176.300 -0.083 0.000 1.233 385 M CA -0.212 55.013 55.300 -0.124 0.000 1.129 385 M CB 0.665 33.217 32.600 -0.079 0.000 1.604 385 M HN 0.368 nan 8.290 nan 0.000 0.457 386 M N 4.782 124.328 119.600 -0.091 0.000 2.217 386 M HA 0.270 4.750 4.480 -0.000 0.000 0.354 386 M C -0.557 175.728 176.300 -0.026 0.000 1.225 386 M CA 0.387 55.661 55.300 -0.045 0.000 1.137 386 M CB 0.060 32.626 32.600 -0.056 0.000 1.576 386 M HN 0.799 nan 8.290 nan 0.000 0.461 387 N N 1.284 119.989 118.700 0.008 0.000 3.261 387 N HA 0.333 5.072 4.740 -0.000 0.000 0.248 387 N C -0.670 174.876 175.510 0.061 0.000 1.498 387 N CA -0.693 52.364 53.050 0.012 0.000 0.884 387 N CB 0.226 38.719 38.487 0.011 0.000 1.428 387 N HN 0.472 nan 8.380 nan 0.000 0.517 388 D N -0.166 120.268 120.400 0.056 0.000 2.104 388 D HA -0.138 4.502 4.640 -0.000 0.000 0.194 388 D C 1.115 177.502 176.300 0.145 0.000 0.994 388 D CA 2.233 56.303 54.000 0.117 0.000 0.830 388 D CB -0.580 40.265 40.800 0.076 0.000 0.959 388 D HN 0.674 nan 8.370 nan 0.000 0.452 389 T N 1.647 116.251 114.554 0.083 0.000 2.635 389 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 389 T C 1.968 176.705 174.700 0.062 0.000 1.040 389 T CA 0.833 62.970 62.100 0.061 0.000 1.156 389 T CB -0.468 68.420 68.868 0.034 0.000 0.863 389 T HN 0.029 nan 8.240 nan 0.000 0.430 390 L N 0.543 121.803 121.223 0.062 0.000 2.046 390 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 390 L C 2.032 178.953 176.870 0.085 0.000 1.077 390 L CA 1.519 56.386 54.840 0.044 0.000 0.747 390 L CB -0.972 41.102 42.059 0.024 0.000 0.896 390 L HN 0.229 nan 8.230 nan 0.000 0.432 391 F N 0.822 120.763 119.950 -0.016 0.000 2.069 391 F HA -0.272 4.254 4.527 -0.000 0.000 0.298 391 F C 2.320 178.125 175.800 0.009 0.000 1.113 391 F CA 2.112 60.108 58.000 -0.007 0.000 1.214 391 F CB -0.609 38.388 39.000 -0.005 0.000 0.978 391 F HN 0.262 nan 8.300 nan 0.000 0.474 392 N N 0.718 119.394 118.700 -0.039 0.000 2.223 392 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 392 N C 1.976 177.424 175.510 -0.102 0.000 1.016 392 N CA 1.340 54.307 53.050 -0.138 0.000 0.863 392 N CB -0.788 37.705 38.487 0.010 0.000 0.983 392 N HN 0.445 nan 8.380 nan 0.000 0.429 393 A N 1.248 124.045 122.820 -0.037 0.000 1.898 393 A HA 0.012 4.331 4.320 -0.000 0.000 0.216 393 A C 2.357 179.953 177.584 0.019 0.000 1.181 393 A CA 0.734 52.770 52.037 -0.002 0.000 0.620 393 A CB -0.580 18.419 19.000 -0.001 0.000 0.819 393 A HN 0.173 nan 8.150 nan 0.000 0.442 394 L N -0.314 120.891 121.223 -0.029 0.000 2.109 394 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 394 L C 2.203 179.094 176.870 0.035 0.000 1.086 394 L CA 0.856 55.715 54.840 0.030 0.000 0.760 394 L CB -0.583 41.463 42.059 -0.022 0.000 0.910 394 L HN 0.365 nan 8.230 nan 0.000 0.437 395 N N 0.096 118.693 118.700 -0.171 0.000 2.142 395 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 395 N C 1.395 176.849 175.510 -0.093 0.000 1.023 395 N CA 1.294 54.214 53.050 -0.218 0.000 0.852 395 N CB -0.222 38.017 38.487 -0.414 0.000 0.998 395 N HN 0.321 nan 8.380 nan 0.000 0.424 396 D N -0.198 120.182 120.400 -0.032 0.000 2.117 396 D HA -0.148 4.492 4.640 -0.000 0.000 0.198 396 D C 1.741 178.101 176.300 0.101 0.000 0.982 396 D CA 0.479 54.489 54.000 0.016 0.000 0.828 396 D CB -0.430 40.392 40.800 0.036 0.000 0.967 396 D HN 0.339 nan 8.370 nan 0.000 0.464 397 W N 1.972 123.270 121.300 -0.004 0.000 2.335 397 W HA -0.236 4.424 4.660 -0.001 0.000 0.311 397 W C 2.106 178.708 176.519 0.139 0.000 1.213 397 W CA 1.345 58.764 57.345 0.123 0.000 1.274 397 W CB -0.500 29.016 29.460 0.093 0.000 1.148 397 W HN -0.232 nan 8.180 nan 0.000 0.498 398 V N 1.135 121.014 119.914 -0.059 0.000 2.295 398 V HA -0.329 3.791 4.120 -0.000 0.000 0.246 398 V C 2.104 178.057 176.094 -0.236 0.000 1.049 398 V CA 2.432 64.448 62.300 -0.473 0.000 1.024 398 V CB -1.064 30.447 31.823 -0.519 0.000 0.648 398 V HN 0.079 nan 8.190 nan 0.000 0.447 399 D N -0.419 119.895 120.400 -0.144 0.000 2.182 399 D HA -0.182 4.458 4.640 -0.000 0.000 0.201 399 D C 2.289 178.511 176.300 -0.130 0.000 0.986 399 D CA 1.302 55.237 54.000 -0.108 0.000 0.847 399 D CB -0.200 40.549 40.800 -0.085 0.000 0.942 399 D HN 0.403 nan 8.370 nan 0.000 0.467 400 R N -0.922 119.469 120.500 -0.182 0.000 2.127 400 R HA -0.055 4.285 4.340 -0.000 0.000 0.217 400 R C 1.253 177.216 176.300 -0.561 0.000 1.074 400 R CA 0.775 56.651 56.100 -0.374 0.000 0.991 400 R CB 0.153 30.172 30.300 -0.469 0.000 0.895 400 R HN 0.213 nan 8.270 nan 0.000 0.450 401 Y N -2.029 118.151 120.300 -0.199 0.000 2.444 401 Y HA 0.226 4.776 4.550 -0.001 0.000 0.252 401 Y C -0.240 175.567 175.900 -0.156 0.000 1.091 401 Y CA -0.635 57.336 58.100 -0.214 0.000 1.276 401 Y CB 0.429 38.648 38.460 -0.400 0.000 1.170 401 Y HN -0.131 nan 8.280 nan 0.000 0.517 402 Y N 1.801 121.981 120.300 -0.200 0.000 2.309 402 Y HA 0.368 4.917 4.550 -0.000 0.000 0.327 402 Y C 0.653 176.492 175.900 -0.102 0.000 1.172 402 Y CA -1.262 56.745 58.100 -0.155 0.000 1.280 402 Y CB 0.504 38.867 38.460 -0.161 0.000 1.234 402 Y HN -0.155 nan 8.280 nan 0.000 0.512 403 R N 1.580 122.094 120.500 0.024 0.000 2.532 403 R HA 0.172 4.512 4.340 -0.000 0.000 0.272 403 R C -0.086 176.244 176.300 0.050 0.000 1.032 403 R CA -0.595 55.511 56.100 0.008 0.000 1.089 403 R CB 0.718 31.000 30.300 -0.031 0.000 1.098 403 R HN 0.692 nan 8.270 nan 0.000 0.526 404 D N 0.914 121.335 120.400 0.034 0.000 2.354 404 D HA -0.002 4.638 4.640 -0.000 0.000 0.209 404 D C 0.365 176.696 176.300 0.053 0.000 1.015 404 D CA 0.661 54.690 54.000 0.047 0.000 0.867 404 D CB 0.506 41.324 40.800 0.030 0.000 0.933 404 D HN 0.411 nan 8.370 nan 0.000 0.520 405 R N -0.056 120.466 120.500 0.036 0.000 2.707 405 R HA 0.627 4.967 4.340 -0.000 0.000 0.272 405 R C -2.019 174.290 176.300 0.015 0.000 1.011 405 R CA -0.830 55.292 56.100 0.037 0.000 0.893 405 R CB 1.722 32.039 30.300 0.029 0.000 1.233 405 R HN -0.086 nan 8.270 nan 0.000 0.464 406 L N 1.205 122.438 121.223 0.016 0.000 2.592 406 L HA 0.530 4.870 4.340 -0.000 0.000 0.258 406 L C -1.385 175.488 176.870 0.005 0.000 0.926 406 L CA 0.225 55.056 54.840 -0.014 0.000 0.885 406 L CB 2.623 44.659 42.059 -0.039 0.000 1.380 406 L HN 1.059 nan 8.230 nan 0.000 0.415 407 T N 0.605 115.151 114.554 -0.013 0.000 2.887 407 T HA 0.747 5.097 4.350 -0.000 0.000 0.292 407 T C 0.891 175.569 174.700 -0.038 0.000 1.087 407 T CA -0.149 61.962 62.100 0.018 0.000 1.009 407 T CB 1.583 70.455 68.868 0.006 0.000 1.203 407 T HN 0.802 nan 8.240 nan 0.000 0.518 408 A N 0.787 123.612 122.820 0.009 0.000 1.940 408 A HA 0.176 4.496 4.320 -0.000 0.000 0.219 408 A C 2.548 180.068 177.584 -0.107 0.000 1.176 408 A CA 2.126 54.133 52.037 -0.050 0.000 0.631 408 A CB -1.555 17.498 19.000 0.089 0.000 0.814 408 A HN 1.410 nan 8.150 nan 0.000 0.446 409 A N -0.165 122.594 122.820 -0.102 0.000 2.024 409 A HA -0.174 4.146 4.320 -0.000 0.000 0.220 409 A C 1.592 179.122 177.584 -0.090 0.000 1.164 409 A CA 1.720 53.697 52.037 -0.099 0.000 0.643 409 A CB -0.454 18.489 19.000 -0.094 0.000 0.806 409 A HN 0.519 nan 8.150 nan 0.000 0.451 410 D N -0.052 120.292 120.400 -0.093 0.000 2.317 410 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 410 D C 1.668 177.902 176.300 -0.110 0.000 0.966 410 D CA 0.475 54.421 54.000 -0.091 0.000 0.876 410 D CB -0.169 40.581 40.800 -0.083 0.000 0.927 410 D HN 0.487 nan 8.370 nan 0.000 0.519 411 L N 0.680 121.819 121.223 -0.141 0.000 2.353 411 L HA -0.079 4.261 4.340 -0.000 0.000 0.220 411 L C 2.236 179.039 176.870 -0.110 0.000 1.133 411 L CA 0.529 55.278 54.840 -0.151 0.000 0.798 411 L CB -0.310 41.627 42.059 -0.204 0.000 0.922 411 L HN -0.038 nan 8.230 nan 0.000 0.445 412 A N -1.348 121.415 122.820 -0.095 0.000 2.218 412 A HA -0.068 4.252 4.320 -0.000 0.000 0.209 412 A C 0.728 178.270 177.584 -0.070 0.000 1.168 412 A CA 0.001 51.991 52.037 -0.080 0.000 0.804 412 A CB -0.279 18.677 19.000 -0.072 0.000 0.834 412 A HN 0.241 nan 8.150 nan 0.000 0.482 413 D N 0.896 121.252 120.400 -0.074 0.000 2.346 413 D HA 0.122 4.762 4.640 -0.000 0.000 0.260 413 D C -1.195 175.065 176.300 -0.066 0.000 1.252 413 D CA -2.041 51.920 54.000 -0.065 0.000 0.895 413 D CB 1.081 41.842 40.800 -0.066 0.000 1.097 413 D HN 0.127 nan 8.370 nan 0.000 0.489 414 P HA -0.224 nan 4.420 nan 0.000 0.221 414 P C 1.180 178.444 177.300 -0.061 0.000 1.145 414 P CA 0.956 64.022 63.100 -0.057 0.000 0.795 414 P CB 0.453 32.126 31.700 -0.045 0.000 0.775 415 Q N 0.151 119.917 119.800 -0.057 0.000 2.084 415 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 415 Q C 2.182 178.139 176.000 -0.071 0.000 0.978 415 Q CA 1.125 56.894 55.803 -0.056 0.000 0.844 415 Q CB -1.253 27.456 28.738 -0.050 0.000 0.898 415 Q HN 0.095 nan 8.270 nan 0.000 0.426 416 L N -0.157 121.017 121.223 -0.082 0.000 2.042 416 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 416 L C 2.102 178.901 176.870 -0.119 0.000 1.076 416 L CA 1.636 56.414 54.840 -0.103 0.000 0.749 416 L CB -0.841 41.153 42.059 -0.108 0.000 0.893 416 L HN 0.477 nan 8.230 nan 0.000 0.432 417 L N -0.396 120.760 121.223 -0.111 0.000 2.012 417 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 417 L C 2.688 179.464 176.870 -0.158 0.000 1.073 417 L CA 1.788 56.550 54.840 -0.130 0.000 0.748 417 L CB -0.584 41.411 42.059 -0.106 0.000 0.891 417 L HN 0.257 nan 8.230 nan 0.000 0.431 418 R N -0.464 119.965 120.500 -0.119 0.000 2.066 418 R HA -0.149 4.191 4.340 -0.000 0.000 0.232 418 R C 2.097 178.335 176.300 -0.103 0.000 1.131 418 R CA 1.679 57.713 56.100 -0.109 0.000 0.955 418 R CB -0.581 29.682 30.300 -0.062 0.000 0.851 418 R HN 0.527 nan 8.270 nan 0.000 0.432 419 E N 0.140 120.295 120.200 -0.075 0.000 2.070 419 E HA -0.188 4.162 4.350 -0.000 0.000 0.197 419 E C 2.156 178.687 176.600 -0.115 0.000 1.004 419 E CA 1.337 57.722 56.400 -0.025 0.000 0.805 419 E CB -0.311 29.364 29.700 -0.041 0.000 0.744 419 E HN 0.514 nan 8.360 nan 0.000 0.451 420 G N 1.219 109.902 108.800 -0.196 0.000 2.418 420 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 420 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 420 G C 1.581 176.280 174.900 -0.334 0.000 1.158 420 G CA 0.316 45.258 45.100 -0.262 0.000 0.771 420 G HN 0.010 nan 8.290 nan 0.000 0.545 421 R N 0.496 120.734 120.500 -0.437 0.000 2.083 421 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 421 R C 2.368 178.447 176.300 -0.370 0.000 1.137 421 R CA 1.472 57.107 56.100 -0.775 0.000 0.951 421 R CB -0.830 29.015 30.300 -0.759 0.000 0.851 421 R HN 0.625 nan 8.270 nan 0.000 0.434 422 E N 0.447 120.525 120.200 -0.204 0.000 2.077 422 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 422 E C 1.894 178.342 176.600 -0.254 0.000 0.989 422 E CA 1.134 57.479 56.400 -0.091 0.000 0.800 422 E CB -0.012 29.709 29.700 0.035 0.000 0.746 422 E HN 0.298 nan 8.360 nan 0.000 0.452 423 A N 1.099 123.600 122.820 -0.532 0.000 1.877 423 A HA -0.151 4.168 4.320 -0.000 0.000 0.216 423 A C 2.216 179.883 177.584 0.138 0.000 1.186 423 A CA 1.225 52.852 52.037 -0.683 0.000 0.620 423 A CB -0.683 17.897 19.000 -0.699 0.000 0.822 423 A HN 0.328 nan 8.150 nan 0.000 0.443 424 L N -0.876 120.400 121.223 0.088 0.000 2.093 424 L HA -0.182 4.157 4.340 -0.000 0.000 0.208 424 L C 2.350 179.357 176.870 0.228 0.000 1.085 424 L CA 1.654 56.576 54.840 0.137 0.000 0.755 424 L CB -0.603 41.392 42.059 -0.106 0.000 0.904 424 L HN 0.393 nan 8.230 nan 0.000 0.435 425 D N -0.194 120.378 120.400 0.287 0.000 2.117 425 D HA -0.162 4.477 4.640 -0.000 0.000 0.197 425 D C 2.160 178.542 176.300 0.136 0.000 0.987 425 D CA 1.025 55.178 54.000 0.256 0.000 0.829 425 D CB 0.166 41.130 40.800 0.275 0.000 0.961 425 D HN -0.014 nan 8.370 nan 0.000 0.460 426 V N 0.339 120.320 119.914 0.112 0.000 2.358 426 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 426 V C 2.413 178.502 176.094 -0.010 0.000 1.047 426 V CA 1.190 63.549 62.300 0.098 0.000 1.035 426 V CB -0.435 31.506 31.823 0.197 0.000 0.658 426 V HN 0.262 nan 8.190 nan 0.000 0.452 427 L N 1.063 122.227 121.223 -0.099 0.000 2.083 427 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 427 L C 2.729 179.509 176.870 -0.151 0.000 1.083 427 L CA 2.372 56.993 54.840 -0.365 0.000 0.752 427 L CB -0.662 41.046 42.059 -0.586 0.000 0.899 427 L HN 0.514 nan 8.230 nan 0.000 0.433 428 S N -1.483 114.220 115.700 0.006 0.000 2.383 428 S HA -0.284 4.186 4.470 -0.000 0.000 0.229 428 S C 1.908 176.487 174.600 -0.035 0.000 1.030 428 S CA 1.400 59.610 58.200 0.016 0.000 1.002 428 S CB -0.626 62.620 63.200 0.075 0.000 0.829 428 S HN 0.636 nan 8.310 nan 0.000 0.467 429 Q N 0.466 120.253 119.800 -0.022 0.000 2.046 429 Q HA 0.091 4.431 4.340 -0.000 0.000 0.200 429 Q C 2.268 178.241 176.000 -0.045 0.000 0.975 429 Q CA 1.316 57.105 55.803 -0.024 0.000 0.836 429 Q CB -0.436 28.303 28.738 0.003 0.000 0.896 429 Q HN 0.500 nan 8.270 nan 0.000 0.428 430 L N 0.395 121.576 121.223 -0.071 0.000 2.042 430 L HA -0.156 4.183 4.340 -0.000 0.000 0.210 430 L C 1.520 178.333 176.870 -0.095 0.000 1.076 430 L CA 1.808 56.595 54.840 -0.089 0.000 0.749 430 L CB -0.260 41.710 42.059 -0.149 0.000 0.893 430 L HN 0.228 nan 8.230 nan 0.000 0.432 431 L N -0.452 120.703 121.223 -0.113 0.000 2.592 431 L HA 0.108 4.448 4.340 -0.000 0.000 0.227 431 L C 0.632 177.452 176.870 -0.084 0.000 1.127 431 L CA 0.290 55.068 54.840 -0.103 0.000 0.884 431 L CB -0.667 41.321 42.059 -0.119 0.000 1.065 431 L HN 0.481 nan 8.230 nan 0.000 0.457 432 N N 0.878 119.535 118.700 -0.071 0.000 2.696 432 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 432 N C 0.160 175.625 175.510 -0.075 0.000 1.031 432 N CA 0.411 53.424 53.050 -0.062 0.000 0.730 432 N CB -0.973 37.483 38.487 -0.053 0.000 0.894 432 N HN 0.358 nan 8.380 nan 0.000 0.544 433 L N -0.468 120.703 121.223 -0.087 0.000 2.693 433 L HA 0.381 4.721 4.340 -0.000 0.000 0.235 433 L C 1.685 178.484 176.870 -0.118 0.000 1.127 433 L CA 0.101 54.871 54.840 -0.116 0.000 0.914 433 L CB -0.284 41.684 42.059 -0.152 0.000 1.193 433 L HN 0.549 nan 8.230 nan 0.000 0.502 434 G N 1.174 109.922 108.800 -0.087 0.000 2.692 434 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.248 434 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.248 434 G C 0.185 175.019 174.900 -0.110 0.000 1.340 434 G CA -0.014 45.037 45.100 -0.082 0.000 0.896 434 G HN 0.447 nan 8.290 nan 0.000 0.570 435 S N -0.706 114.929 115.700 -0.109 0.000 2.686 435 S HA 0.369 4.838 4.470 -0.000 0.000 0.324 435 S C 0.999 175.484 174.600 -0.192 0.000 1.172 435 S CA 0.331 58.445 58.200 -0.144 0.000 1.127 435 S CB 1.308 64.436 63.200 -0.119 0.000 1.338 435 S HN 1.936 nan 8.310 nan 0.000 0.547 436 V N 3.605 123.344 119.914 -0.291 0.000 3.431 436 V HA 0.316 4.436 4.120 -0.000 0.000 0.253 436 V C -0.486 175.323 176.094 -0.476 0.000 1.184 436 V CA 0.190 62.243 62.300 -0.411 0.000 1.104 436 V CB -0.342 31.147 31.823 -0.557 0.000 0.799 436 V HN 0.833 nan 8.190 nan 0.000 0.462 437 Y N 0.460 120.624 120.300 -0.226 0.000 2.335 437 Y HA 0.392 4.941 4.550 -0.000 0.000 0.323 437 Y C -1.200 174.590 175.900 -0.184 0.000 1.224 437 Y CA -2.094 55.893 58.100 -0.189 0.000 1.241 437 Y CB 0.482 38.832 38.460 -0.182 0.000 1.235 437 Y HN -0.015 nan 8.280 nan 0.000 0.492 438 P HA -0.238 nan 4.420 nan 0.000 0.216 438 P C 1.301 178.679 177.300 0.130 0.000 1.150 438 P CA 1.689 64.896 63.100 0.177 0.000 0.843 438 P CB -0.100 31.811 31.700 0.352 0.000 0.787 439 F N -0.359 119.688 119.950 0.162 0.000 2.451 439 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 439 F C 1.568 177.417 175.800 0.081 0.000 1.101 439 F CA 0.876 58.931 58.000 0.092 0.000 1.436 439 F CB -1.470 37.572 39.000 0.071 0.000 1.074 439 F HN -0.065 nan 8.300 nan 0.000 0.553 440 Q N 0.410 119.848 119.800 -0.604 0.000 2.425 440 Q HA 0.178 4.518 4.340 -0.000 0.000 0.204 440 Q C 0.442 176.347 176.000 -0.158 0.000 0.933 440 Q CA 0.170 55.718 55.803 -0.425 0.000 0.939 440 Q CB 0.251 28.677 28.738 -0.520 0.000 1.044 440 Q HN 0.467 nan 8.270 nan 0.000 0.513 441 R N 0.000 120.442 120.500 -0.096 0.000 2.786 441 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 441 R CA 0.000 56.074 56.100 -0.043 0.000 0.921 441 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 441 R HN 0.000 nan 8.270 nan 0.000 0.535