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 2jgv_1_A DATA FIRST_RESID -4 DATA SEQUENCE PRGSHXILTL TLNPSVDISY PLTALKLDDV NRVQEVSKTA GGKGLNVTRV DATA SEQUENCE LAQVGEPVLA SGFIGGELGQ FIAKKLDHAD IKHAFYNIKG ETRNCIAILH DATA SEQUENCE EGQQTEILEQ GPEIDNQEAA GFIKHFEQLL EKVEAVAISG SLPKGLNQDY DATA SEQUENCE YAQIIERCQN KGVPVILDCS GATLQTVLEN PYKPTVIKPN ISELYQLLNQ DATA SEQUENCE PLDESLESLK QAVSQPLFEG IEWIIVSLGA QGAFAKHNHT FYRVNIPTIS DATA SEQUENCE VLNPVGSGDS TVAGITSAIL NHENDHDLLK KANTLGXLNA QEAQTGYVNL DATA SEQUENCE NNYDDLFNQI EVLEV 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 -4 P HA 0.000 nan 4.420 nan 0.000 0.216 -4 P C 0.000 177.295 177.300 -0.008 0.000 1.155 -4 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 -4 P CB 0.000 31.703 31.700 0.004 0.000 0.726 -3 R N 0.080 120.574 120.500 -0.009 0.000 2.546 -3 R HA 0.662 5.002 4.340 -0.000 0.000 0.320 -3 R C 0.472 176.765 176.300 -0.011 0.000 1.021 -3 R CA 0.364 56.456 56.100 -0.013 0.000 1.088 -3 R CB 0.924 31.215 30.300 -0.015 0.000 1.278 -3 R HN 0.668 nan 8.270 nan 0.000 0.557 -2 G N -1.958 106.842 108.800 0.000 0.000 0.000 -2 G HA2 0.183 4.143 3.960 -0.000 0.000 0.000 -2 G HA3 0.183 4.143 3.960 -0.000 0.000 0.000 -2 G C -0.580 174.321 174.900 0.001 0.000 0.000 -2 G CA -0.163 nan 45.100 nan 0.000 0.000 -2 G HN -0.029 nan 8.290 nan 0.000 0.000 -1 S N -1.215 114.497 115.700 0.019 0.000 2.730 -1 S HA 0.329 4.799 4.470 -0.000 0.000 0.244 -1 S C 0.357 174.974 174.600 0.029 0.000 1.022 -1 S CA -0.017 58.184 58.200 0.002 0.000 1.014 -1 S CB -0.139 63.052 63.200 -0.015 0.000 0.963 -1 S HN 0.854 nan 8.310 nan 0.000 0.540 3 L N 5.780 126.962 121.223 -0.068 0.000 2.272 3 L HA 0.706 5.046 4.340 -0.000 0.000 0.289 3 L C 0.149 177.020 176.870 0.002 0.000 1.032 3 L CA 0.230 55.047 54.840 -0.038 0.000 0.810 3 L CB 1.441 43.480 42.059 -0.034 0.000 1.205 3 L HN 0.710 nan 8.230 nan 0.000 0.422 4 T N 3.473 118.027 114.554 0.001 0.000 2.867 4 T HA 0.644 4.994 4.350 -0.000 0.000 0.282 4 T C -0.241 174.488 174.700 0.049 0.000 1.000 4 T CA -0.776 61.337 62.100 0.021 0.000 1.042 4 T CB 1.027 69.906 68.868 0.017 0.000 0.973 4 T HN 0.489 nan 8.240 nan 0.000 0.465 5 L N 2.726 123.992 121.223 0.071 0.000 2.333 5 L HA 0.491 4.831 4.340 -0.000 0.000 0.280 5 L C -0.232 176.703 176.870 0.109 0.000 1.004 5 L CA -0.776 54.125 54.840 0.102 0.000 0.820 5 L CB 2.120 44.252 42.059 0.121 0.000 1.247 5 L HN 0.863 nan 8.230 nan 0.000 0.416 6 T N 4.269 118.910 114.554 0.146 0.000 3.064 6 T HA 0.316 4.666 4.350 -0.000 0.000 0.367 6 T C 1.239 176.053 174.700 0.190 0.000 1.202 6 T CA -0.435 61.776 62.100 0.185 0.000 1.133 6 T CB 0.755 69.762 68.868 0.232 0.000 1.074 6 T HN 0.419 nan 8.240 nan 0.000 0.519 7 L N 1.177 122.487 121.223 0.144 0.000 2.291 7 L HA 0.156 4.496 4.340 -0.000 0.000 0.214 7 L C 1.091 178.085 176.870 0.206 0.000 1.120 7 L CA 0.743 55.666 54.840 0.138 0.000 0.799 7 L CB -0.003 42.120 42.059 0.106 0.000 0.925 7 L HN 0.391 nan 8.230 nan 0.000 0.446 8 N N 0.097 118.881 118.700 0.140 0.000 2.790 8 N HA 0.233 4.972 4.740 -0.000 0.000 0.256 8 N C -2.465 173.091 175.510 0.077 0.000 1.409 8 N CA -1.638 51.466 53.050 0.090 0.000 0.799 8 N CB 0.991 39.505 38.487 0.046 0.000 1.170 8 N HN -0.072 nan 8.380 nan 0.000 0.507 9 P HA 0.321 nan 4.420 nan 0.000 0.279 9 P C -0.749 176.559 177.300 0.013 0.000 1.282 9 P CA -0.233 62.897 63.100 0.049 0.000 0.788 9 P CB 0.912 32.620 31.700 0.013 0.000 1.139 10 S N -2.072 113.631 115.700 0.006 0.000 2.579 10 S HA 0.396 4.865 4.470 -0.000 0.000 0.272 10 S C -0.822 173.775 174.600 -0.004 0.000 1.141 10 S CA -0.833 57.362 58.200 -0.008 0.000 0.843 10 S CB 0.894 64.090 63.200 -0.007 0.000 1.122 10 S HN 0.138 nan 8.310 nan 0.000 0.468 11 V N 2.547 122.444 119.914 -0.028 0.000 2.339 11 V HA 0.306 4.426 4.120 -0.000 0.000 0.261 11 V C -0.733 175.317 176.094 -0.074 0.000 1.058 11 V CA -0.357 61.921 62.300 -0.037 0.000 0.897 11 V CB 0.203 31.934 31.823 -0.153 0.000 1.052 11 V HN 0.814 nan 8.190 nan 0.000 0.480 12 D N 5.176 125.555 120.400 -0.036 0.000 2.295 12 D HA 0.423 5.063 4.640 -0.000 0.000 0.248 12 D C -0.066 176.165 176.300 -0.114 0.000 1.154 12 D CA 0.137 54.101 54.000 -0.061 0.000 0.857 12 D CB 1.565 42.351 40.800 -0.025 0.000 1.117 12 D HN 0.358 nan 8.370 nan 0.000 0.468 13 I N 1.342 121.798 120.570 -0.190 0.000 2.339 13 I HA 0.157 4.327 4.170 -0.000 0.000 0.290 13 I C 0.327 176.201 176.117 -0.406 0.000 0.994 13 I CA -0.582 60.515 61.300 -0.338 0.000 1.191 13 I CB 1.550 39.272 38.000 -0.462 0.000 1.343 13 I HN 0.118 nan 8.210 nan 0.000 0.458 14 S N 6.317 121.802 115.700 -0.359 0.000 2.456 14 S HA 0.519 4.989 4.470 -0.000 0.000 0.316 14 S C -1.166 173.287 174.600 -0.245 0.000 1.089 14 S CA -0.383 57.675 58.200 -0.237 0.000 1.101 14 S CB 0.369 63.513 63.200 -0.093 0.000 0.995 14 S HN 0.345 nan 8.310 nan 0.000 0.468 15 Y N 5.412 125.717 120.300 0.010 0.000 2.464 15 Y HA 0.397 4.947 4.550 -0.000 0.000 0.326 15 Y C -2.302 173.611 175.900 0.022 0.000 0.969 15 Y CA -2.738 55.365 58.100 0.006 0.000 1.270 15 Y CB 1.370 39.825 38.460 -0.009 0.000 1.103 15 Y HN 0.503 nan 8.280 nan 0.000 0.491 16 P HA 0.261 nan 4.420 nan 0.000 0.286 16 P C -0.681 176.682 177.300 0.104 0.000 1.321 16 P CA 0.052 63.221 63.100 0.116 0.000 0.790 16 P CB 0.835 32.581 31.700 0.076 0.000 0.897 17 L N 2.317 123.603 121.223 0.105 0.000 2.334 17 L HA 0.379 4.719 4.340 -0.000 0.000 0.272 17 L C 1.795 178.709 176.870 0.074 0.000 1.020 17 L CA -0.580 54.300 54.840 0.068 0.000 0.812 17 L CB 1.006 43.084 42.059 0.031 0.000 1.264 17 L HN 0.187 nan 8.230 nan 0.000 0.439 18 T N 1.013 115.595 114.554 0.046 0.000 2.635 18 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 18 T C 0.459 175.196 174.700 0.060 0.000 1.040 18 T CA 1.708 63.834 62.100 0.043 0.000 1.156 18 T CB -0.014 68.869 68.868 0.025 0.000 0.863 18 T HN 0.715 nan 8.240 nan 0.000 0.430 19 A N -0.227 122.627 122.820 0.057 0.000 2.606 19 A HA 0.687 5.007 4.320 -0.000 0.000 0.293 19 A C -1.845 175.756 177.584 0.029 0.000 1.082 19 A CA -0.842 51.243 52.037 0.079 0.000 0.685 19 A CB 1.150 20.180 19.000 0.051 0.000 1.284 19 A HN 0.241 nan 8.150 nan 0.000 0.408 20 L N 1.196 122.420 121.223 0.002 0.000 2.255 20 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 20 L C -0.233 176.591 176.870 -0.076 0.000 1.046 20 L CA 0.005 54.754 54.840 -0.152 0.000 0.816 20 L CB 0.449 42.209 42.059 -0.499 0.000 1.197 20 L HN 0.551 nan 8.230 nan 0.000 0.427 21 K N 6.827 127.186 120.400 -0.068 0.000 2.284 21 K HA 0.329 4.649 4.320 -0.000 0.000 0.287 21 K C -0.704 175.864 176.600 -0.054 0.000 1.081 21 K CA -0.381 55.879 56.287 -0.045 0.000 0.910 21 K CB 0.650 33.128 32.500 -0.037 0.000 1.088 21 K HN 0.607 nan 8.250 nan 0.000 0.478 22 L N 2.554 123.754 121.223 -0.039 0.000 2.439 22 L HA 0.007 4.347 4.340 -0.000 0.000 0.269 22 L C 0.670 177.521 176.870 -0.031 0.000 1.179 22 L CA 0.084 54.901 54.840 -0.037 0.000 0.828 22 L CB 0.168 42.214 42.059 -0.021 0.000 1.106 22 L HN 0.776 nan 8.230 nan 0.000 0.467 23 D N 0.990 121.371 120.400 -0.033 0.000 2.772 23 D HA -0.197 4.443 4.640 -0.000 0.000 0.233 23 D C -0.635 175.647 176.300 -0.030 0.000 1.143 23 D CA 1.029 55.012 54.000 -0.028 0.000 0.700 23 D CB -0.426 40.362 40.800 -0.020 0.000 1.076 23 D HN 0.711 nan 8.370 nan 0.000 0.430 24 D N -2.109 118.268 120.400 -0.039 0.000 2.665 24 D HA 0.386 5.026 4.640 -0.000 0.000 0.287 24 D C -0.961 175.308 176.300 -0.053 0.000 1.266 24 D CA -0.483 53.493 54.000 -0.040 0.000 0.830 24 D CB 1.559 42.338 40.800 -0.035 0.000 1.356 24 D HN -0.137 nan 8.370 nan 0.000 0.437 25 V N 2.439 122.323 119.914 -0.051 0.000 2.498 25 V HA 0.385 4.505 4.120 -0.000 0.000 0.279 25 V C -0.013 176.038 176.094 -0.072 0.000 1.048 25 V CA -0.359 61.904 62.300 -0.062 0.000 0.967 25 V CB 0.884 32.677 31.823 -0.051 0.000 0.988 25 V HN 0.365 nan 8.190 nan 0.000 0.473 26 N N 5.404 124.045 118.700 -0.099 0.000 2.407 26 N HA 0.463 5.202 4.740 -0.000 0.000 0.277 26 N C -0.742 174.694 175.510 -0.124 0.000 0.995 26 N CA -0.695 52.290 53.050 -0.109 0.000 0.903 26 N CB 2.300 40.703 38.487 -0.139 0.000 1.218 26 N HN 0.534 nan 8.380 nan 0.000 0.487 27 R N 0.953 121.399 120.500 -0.089 0.000 2.346 27 R HA 0.502 4.842 4.340 -0.000 0.000 0.311 27 R C -0.657 175.602 176.300 -0.069 0.000 0.983 27 R CA -0.670 55.383 56.100 -0.079 0.000 0.880 27 R CB 2.124 32.395 30.300 -0.049 0.000 1.100 27 R HN 0.221 nan 8.270 nan 0.000 0.453 28 V N 3.106 122.978 119.914 -0.070 0.000 2.604 28 V HA 0.133 4.253 4.120 -0.000 0.000 0.305 28 V C 0.343 176.446 176.094 0.015 0.000 1.043 28 V CA -0.235 62.052 62.300 -0.022 0.000 0.888 28 V CB 1.886 33.695 31.823 -0.022 0.000 0.995 28 V HN 0.936 nan 8.190 nan 0.000 0.429 29 Q N 3.511 123.329 119.800 0.031 0.000 2.387 29 Q HA 0.244 4.584 4.340 -0.000 0.000 0.212 29 Q C 0.144 176.175 176.000 0.051 0.000 0.925 29 Q CA 0.440 56.263 55.803 0.033 0.000 0.901 29 Q CB 0.357 29.109 28.738 0.022 0.000 1.020 29 Q HN 0.830 nan 8.270 nan 0.000 0.545 30 E N 1.499 121.734 120.200 0.059 0.000 2.206 30 E HA 0.221 4.571 4.350 -0.000 0.000 0.244 30 E C -1.345 175.304 176.600 0.080 0.000 1.055 30 E CA -0.290 56.145 56.400 0.058 0.000 0.970 30 E CB 1.828 31.553 29.700 0.042 0.000 1.256 30 E HN 0.094 nan 8.360 nan 0.000 0.456 31 V N 1.951 121.922 119.914 0.095 0.000 2.607 31 V HA 0.362 4.482 4.120 -0.000 0.000 0.289 31 V C -0.392 175.712 176.094 0.017 0.000 1.053 31 V CA -0.094 62.256 62.300 0.083 0.000 0.996 31 V CB 1.757 33.661 31.823 0.134 0.000 0.995 31 V HN 0.451 nan 8.190 nan 0.000 0.476 32 S N 6.204 121.882 115.700 -0.037 0.000 2.552 32 S HA 0.585 5.055 4.470 -0.000 0.000 0.314 32 S C -0.812 173.757 174.600 -0.051 0.000 1.099 32 S CA -0.805 57.382 58.200 -0.022 0.000 1.070 32 S CB 0.682 63.873 63.200 -0.015 0.000 0.998 32 S HN 0.808 nan 8.310 nan 0.000 0.474 33 K N 3.324 123.735 120.400 0.019 0.000 2.358 33 K HA 0.506 4.826 4.320 -0.000 0.000 0.260 33 K C -0.523 176.209 176.600 0.220 0.000 0.956 33 K CA -0.682 55.632 56.287 0.044 0.000 0.834 33 K CB 1.805 34.286 32.500 -0.031 0.000 1.102 33 K HN 0.745 nan 8.250 nan 0.000 0.431 34 T N -1.843 112.812 114.554 0.169 0.000 2.901 34 T HA 0.601 4.951 4.350 -0.000 0.000 0.293 34 T C -0.344 174.461 174.700 0.175 0.000 1.084 34 T CA -1.080 61.113 62.100 0.155 0.000 1.008 34 T CB 1.776 70.680 68.868 0.060 0.000 1.170 34 T HN 0.458 nan 8.240 nan 0.000 0.509 35 A N 0.998 123.874 122.820 0.093 0.000 2.376 35 A HA 0.677 4.997 4.320 -0.000 0.000 0.298 35 A C 0.736 178.347 177.584 0.046 0.000 1.271 35 A CA -0.092 51.979 52.037 0.056 0.000 0.926 35 A CB -0.812 18.173 19.000 -0.025 0.000 1.141 35 A HN 1.249 nan 8.150 nan 0.000 0.539 36 G N 0.531 109.358 108.800 0.044 0.000 2.667 36 G HA2 0.828 4.788 3.960 -0.000 0.000 0.310 36 G HA3 0.828 4.788 3.960 -0.000 0.000 0.310 36 G C 0.073 175.001 174.900 0.047 0.000 1.259 36 G CA -0.465 44.659 45.100 0.040 0.000 1.019 36 G HN 2.030 nan 8.290 nan 0.000 0.496 37 G N -1.068 107.762 108.800 0.050 0.000 2.627 37 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.680 37 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.680 37 G C 0.414 175.354 174.900 0.066 0.000 1.341 37 G CA -0.013 45.125 45.100 0.063 0.000 0.835 37 G HN 0.643 nan 8.290 nan 0.000 0.643 38 K N 0.474 120.912 120.400 0.063 0.000 2.063 38 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 38 K C 2.725 179.360 176.600 0.058 0.000 1.048 38 K CA 1.844 58.164 56.287 0.056 0.000 0.928 38 K CB -0.216 32.315 32.500 0.051 0.000 0.713 38 K HN 0.727 nan 8.250 nan 0.000 0.442 39 G N 1.296 110.141 108.800 0.074 0.000 2.432 39 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.219 39 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.219 39 G C 1.479 176.428 174.900 0.083 0.000 1.135 39 G CA 0.429 45.574 45.100 0.075 0.000 0.767 39 G HN 0.107 nan 8.290 nan 0.000 0.550 40 L N 0.209 121.492 121.223 0.099 0.000 2.179 40 L HA -0.000 4.340 4.340 -0.000 0.000 0.208 40 L C 2.632 179.546 176.870 0.074 0.000 1.096 40 L CA 0.421 55.321 54.840 0.101 0.000 0.779 40 L CB -0.390 41.736 42.059 0.111 0.000 0.922 40 L HN 0.096 nan 8.230 nan 0.000 0.443 41 N N 0.141 118.880 118.700 0.064 0.000 2.069 41 N HA -0.160 4.580 4.740 -0.000 0.000 0.191 41 N C 1.916 177.453 175.510 0.044 0.000 1.031 41 N CA 1.277 54.360 53.050 0.056 0.000 0.852 41 N CB -0.573 37.944 38.487 0.051 0.000 1.018 41 N HN 0.073 nan 8.380 nan 0.000 0.423 42 V N 1.221 121.157 119.914 0.036 0.000 2.255 42 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 42 V C 2.246 178.350 176.094 0.017 0.000 1.051 42 V CA 2.054 64.365 62.300 0.019 0.000 1.018 42 V CB -1.148 30.681 31.823 0.011 0.000 0.641 42 V HN 0.366 nan 8.190 nan 0.000 0.445 43 T N -0.391 114.182 114.554 0.032 0.000 2.665 43 T HA -0.263 4.087 4.350 -0.000 0.000 0.268 43 T C 2.059 176.777 174.700 0.030 0.000 1.035 43 T CA 1.855 63.973 62.100 0.031 0.000 1.151 43 T CB -0.308 68.594 68.868 0.057 0.000 0.862 43 T HN 0.400 nan 8.240 nan 0.000 0.438 44 R N 0.202 120.728 120.500 0.044 0.000 2.091 44 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 44 R C 2.559 178.874 176.300 0.025 0.000 1.136 44 R CA 1.182 57.311 56.100 0.048 0.000 0.959 44 R CB -0.745 29.599 30.300 0.074 0.000 0.856 44 R HN 0.256 nan 8.270 nan 0.000 0.437 45 V N 1.528 121.450 119.914 0.013 0.000 2.343 45 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 45 V C 2.348 178.422 176.094 -0.034 0.000 1.051 45 V CA 1.639 63.928 62.300 -0.019 0.000 1.036 45 V CB -0.451 31.363 31.823 -0.014 0.000 0.654 45 V HN 0.298 nan 8.190 nan 0.000 0.451 46 L N 0.135 121.342 121.223 -0.027 0.000 2.042 46 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 46 L C 2.754 179.601 176.870 -0.039 0.000 1.076 46 L CA 1.729 56.545 54.840 -0.040 0.000 0.749 46 L CB -0.817 41.218 42.059 -0.038 0.000 0.893 46 L HN 0.380 nan 8.230 nan 0.000 0.432 47 A N -0.744 122.063 122.820 -0.020 0.000 1.908 47 A HA -0.260 4.059 4.320 -0.000 0.000 0.218 47 A C 2.223 179.791 177.584 -0.027 0.000 1.181 47 A CA 1.631 53.660 52.037 -0.014 0.000 0.627 47 A CB -0.467 18.540 19.000 0.011 0.000 0.818 47 A HN 0.489 nan 8.150 nan 0.000 0.445 48 Q N -0.469 119.307 119.800 -0.039 0.000 2.050 48 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 48 Q C 2.202 178.148 176.000 -0.091 0.000 0.980 48 Q CA 2.111 57.873 55.803 -0.069 0.000 0.840 48 Q CB -0.487 28.182 28.738 -0.115 0.000 0.898 48 Q HN 0.773 nan 8.270 nan 0.000 0.424 49 V N -2.908 116.947 119.914 -0.099 0.000 3.141 49 V HA 0.149 4.269 4.120 -0.000 0.000 0.265 49 V C 1.162 177.192 176.094 -0.106 0.000 1.126 49 V CA 1.298 63.521 62.300 -0.127 0.000 1.141 49 V CB -0.608 31.136 31.823 -0.133 0.000 0.743 49 V HN 0.502 nan 8.190 nan 0.000 0.492 50 G N -0.286 108.469 108.800 -0.075 0.000 2.130 50 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 50 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 50 G C -0.220 174.651 174.900 -0.049 0.000 0.999 50 G CA 0.140 45.206 45.100 -0.057 0.000 0.686 50 G HN 0.617 nan 8.290 nan 0.000 0.515 51 E N 1.022 121.189 120.200 -0.056 0.000 2.343 51 E HA 0.365 4.715 4.350 -0.000 0.000 0.269 51 E C -2.114 174.453 176.600 -0.056 0.000 1.047 51 E CA -1.660 54.704 56.400 -0.060 0.000 0.874 51 E CB 1.120 30.770 29.700 -0.083 0.000 1.033 51 E HN 0.260 nan 8.360 nan 0.000 0.409 52 P HA 0.106 nan 4.420 nan 0.000 0.271 52 P C -0.583 176.671 177.300 -0.078 0.000 1.226 52 P CA -0.044 63.023 63.100 -0.055 0.000 0.765 52 P CB 0.857 32.531 31.700 -0.043 0.000 0.835 53 V N 5.043 124.924 119.914 -0.054 0.000 2.932 53 V HA 0.593 4.713 4.120 -0.000 0.000 0.307 53 V C -1.653 174.418 176.094 -0.038 0.000 1.147 53 V CA -0.951 61.318 62.300 -0.052 0.000 0.951 53 V CB 2.469 34.270 31.823 -0.037 0.000 1.031 53 V HN 0.401 nan 8.190 nan 0.000 0.426 54 L N 5.730 126.925 121.223 -0.047 0.000 2.410 54 L HA 0.991 5.331 4.340 -0.000 0.000 0.270 54 L C -0.176 176.662 176.870 -0.054 0.000 0.983 54 L CA 0.045 54.856 54.840 -0.047 0.000 0.822 54 L CB 1.816 43.832 42.059 -0.072 0.000 1.285 54 L HN 0.925 nan 8.230 nan 0.000 0.409 55 A N 3.333 126.117 122.820 -0.060 0.000 2.292 55 A HA 0.838 5.158 4.320 -0.000 0.000 0.319 55 A C -0.355 176.959 177.584 -0.450 0.000 1.206 55 A CA -0.203 51.746 52.037 -0.148 0.000 0.835 55 A CB 1.176 20.158 19.000 -0.030 0.000 1.164 55 A HN 0.758 nan 8.150 nan 0.000 0.505 56 S N 0.546 115.984 115.700 -0.436 0.000 2.806 56 S HA 0.959 5.429 4.470 -0.000 0.000 0.306 56 S C 0.053 174.486 174.600 -0.278 0.000 1.167 56 S CA 0.393 58.272 58.200 -0.535 0.000 0.847 56 S CB 1.625 64.822 63.200 -0.007 0.000 1.216 56 S HN 2.502 nan 8.310 nan 0.000 0.532 57 G N 0.395 109.238 108.800 0.071 0.000 2.302 57 G HA2 0.223 4.183 3.960 -0.000 0.000 0.264 57 G HA3 0.223 4.183 3.960 -0.000 0.000 0.264 57 G C -2.144 172.840 174.900 0.140 0.000 1.335 57 G CA -0.747 44.404 45.100 0.085 0.000 0.982 57 G HN 0.576 nan 8.290 nan 0.000 0.473 58 F N 1.077 121.210 119.950 0.305 0.000 2.482 58 F HA 0.806 5.333 4.527 -0.000 0.000 0.331 58 F C 0.826 176.691 175.800 0.108 0.000 1.115 58 F CA -0.691 57.443 58.000 0.223 0.000 0.955 58 F CB 1.858 40.885 39.000 0.044 0.000 1.136 58 F HN 0.622 nan 8.300 nan 0.000 0.452 59 I N -0.053 120.665 120.570 0.247 0.000 2.865 59 I HA 1.068 5.238 4.170 -0.000 0.000 0.302 59 I C -0.532 175.613 176.117 0.047 0.000 1.140 59 I CA -0.894 60.408 61.300 0.003 0.000 1.021 59 I CB 2.458 40.299 38.000 -0.266 0.000 1.233 59 I HN 0.646 nan 8.210 nan 0.000 0.427 60 G N 1.412 110.210 108.800 -0.003 0.000 2.720 60 G HA2 0.672 4.632 3.960 -0.000 0.000 0.295 60 G HA3 0.672 4.632 3.960 -0.000 0.000 0.295 60 G C -0.397 174.494 174.900 -0.016 0.000 1.437 60 G CA -0.289 44.812 45.100 0.002 0.000 0.886 60 G HN 1.550 nan 8.290 nan 0.000 0.509 61 G N 0.495 109.288 108.800 -0.011 0.000 2.752 61 G HA2 -0.111 3.848 3.960 -0.000 0.000 0.234 61 G HA3 -0.111 3.848 3.960 -0.000 0.000 0.234 61 G C 0.699 175.593 174.900 -0.009 0.000 1.367 61 G CA 0.683 45.776 45.100 -0.012 0.000 0.879 61 G HN 0.958 nan 8.290 nan 0.000 0.563 62 E N -0.634 119.562 120.200 -0.007 0.000 2.118 62 E HA -0.043 4.307 4.350 -0.000 0.000 0.195 62 E C 2.702 179.313 176.600 0.018 0.000 0.992 62 E CA 1.496 57.899 56.400 0.006 0.000 0.804 62 E CB -0.153 29.546 29.700 -0.002 0.000 0.741 62 E HN 0.371 nan 8.360 nan 0.000 0.458 63 L N -0.202 121.015 121.223 -0.010 0.000 2.156 63 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 63 L C 2.205 179.084 176.870 0.015 0.000 1.095 63 L CA 1.780 56.614 54.840 -0.010 0.000 0.770 63 L CB -1.069 40.955 42.059 -0.059 0.000 0.914 63 L HN 0.230 nan 8.230 nan 0.000 0.439 64 G N -1.488 107.296 108.800 -0.026 0.000 2.408 64 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 64 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 64 G C 1.471 176.323 174.900 -0.080 0.000 1.150 64 G CA 0.421 45.473 45.100 -0.081 0.000 0.776 64 G HN 0.444 nan 8.290 nan 0.000 0.542 65 Q N -0.773 119.014 119.800 -0.021 0.000 2.119 65 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 65 Q C 2.190 178.179 176.000 -0.018 0.000 0.972 65 Q CA 1.050 56.843 55.803 -0.016 0.000 0.847 65 Q CB -0.306 28.440 28.738 0.014 0.000 0.903 65 Q HN 0.498 nan 8.270 nan 0.000 0.433 66 F N 1.602 121.485 119.950 -0.113 0.000 2.091 66 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 66 F C 1.934 177.633 175.800 -0.169 0.000 1.103 66 F CA 1.388 59.313 58.000 -0.126 0.000 1.228 66 F CB -0.131 38.807 39.000 -0.102 0.000 0.984 66 F HN -0.026 nan 8.300 nan 0.000 0.477 67 I N 0.135 120.675 120.570 -0.050 0.000 2.151 67 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 67 I C 2.684 178.600 176.117 -0.335 0.000 1.080 67 I CA 1.451 62.630 61.300 -0.200 0.000 1.339 67 I CB -1.133 36.723 38.000 -0.240 0.000 1.039 67 I HN 0.269 nan 8.210 nan 0.000 0.409 68 A N 0.603 123.216 122.820 -0.346 0.000 1.902 68 A HA -0.263 4.056 4.320 -0.000 0.000 0.217 68 A C 2.397 179.822 177.584 -0.265 0.000 1.181 68 A CA 1.937 53.724 52.037 -0.415 0.000 0.623 68 A CB -0.541 18.331 19.000 -0.212 0.000 0.818 68 A HN 0.378 nan 8.150 nan 0.000 0.443 69 K N -0.400 119.825 120.400 -0.292 0.000 2.026 69 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 69 K C 1.944 178.151 176.600 -0.654 0.000 1.048 69 K CA 1.518 57.559 56.287 -0.410 0.000 0.929 69 K CB -0.108 32.118 32.500 -0.457 0.000 0.713 69 K HN 0.194 nan 8.250 nan 0.000 0.439 70 K N 0.793 120.805 120.400 -0.646 0.000 2.057 70 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 70 K C 2.163 178.625 176.600 -0.230 0.000 1.049 70 K CA 1.257 57.234 56.287 -0.517 0.000 0.931 70 K CB -0.284 31.938 32.500 -0.464 0.000 0.714 70 K HN 0.269 nan 8.250 nan 0.000 0.440 71 L N 0.879 122.001 121.223 -0.168 0.000 2.109 71 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 71 L C 1.917 178.845 176.870 0.098 0.000 1.086 71 L CA 0.913 55.750 54.840 -0.005 0.000 0.760 71 L CB -0.444 41.626 42.059 0.019 0.000 0.910 71 L HN 0.057 nan 8.230 nan 0.000 0.437 72 D N -0.402 120.060 120.400 0.104 0.000 2.104 72 D HA -0.203 4.437 4.640 -0.000 0.000 0.194 72 D C 2.058 178.476 176.300 0.198 0.000 0.994 72 D CA 1.456 55.560 54.000 0.173 0.000 0.830 72 D CB -0.352 40.555 40.800 0.179 0.000 0.959 72 D HN 0.470 nan 8.370 nan 0.000 0.452 73 H N -0.018 119.048 119.070 -0.006 0.000 2.387 73 H HA 0.002 4.558 4.556 -0.000 0.000 0.299 73 H C 1.679 177.006 175.328 -0.001 0.000 1.099 73 H CA 0.854 56.892 56.048 -0.017 0.000 1.315 73 H CB 0.196 29.928 29.762 -0.050 0.000 1.380 73 H HN 0.101 nan 8.280 nan 0.000 0.513 74 A N 0.702 123.604 122.820 0.137 0.000 2.238 74 A HA -0.044 4.276 4.320 -0.000 0.000 0.208 74 A C 0.522 178.153 177.584 0.078 0.000 1.177 74 A CA 0.691 52.781 52.037 0.088 0.000 0.804 74 A CB 0.089 19.131 19.000 0.070 0.000 0.823 74 A HN 0.513 nan 8.150 nan 0.000 0.482 75 D N -1.455 118.998 120.400 0.088 0.000 2.723 75 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 75 D C -0.538 175.804 176.300 0.070 0.000 1.138 75 D CA 0.666 54.708 54.000 0.070 0.000 0.676 75 D CB -1.703 39.124 40.800 0.045 0.000 1.069 75 D HN 0.500 nan 8.370 nan 0.000 0.430 76 I N 0.920 121.552 120.570 0.103 0.000 2.321 76 I HA 0.176 4.345 4.170 -0.000 0.000 0.291 76 I C 0.815 177.026 176.117 0.158 0.000 0.998 76 I CA -0.941 60.425 61.300 0.111 0.000 1.227 76 I CB 1.181 39.252 38.000 0.118 0.000 1.368 76 I HN -0.190 nan 8.210 nan 0.000 0.466 77 K N 5.563 126.010 120.400 0.078 0.000 2.326 77 K HA 0.276 4.596 4.320 -0.000 0.000 0.275 77 K C -0.541 176.101 176.600 0.071 0.000 1.018 77 K CA -0.140 56.154 56.287 0.012 0.000 0.962 77 K CB 0.708 33.188 32.500 -0.034 0.000 0.953 77 K HN 0.695 nan 8.250 nan 0.000 0.475 78 H N -2.566 116.524 119.070 0.034 0.000 2.996 78 H HA 0.662 5.218 4.556 -0.000 0.000 0.368 78 H C -1.352 173.988 175.328 0.020 0.000 1.185 78 H CA -1.146 54.904 56.048 0.003 0.000 1.160 78 H CB 1.713 31.592 29.762 0.195 0.000 1.820 78 H HN 0.453 nan 8.280 nan 0.000 0.547 79 A N 2.768 125.604 122.820 0.026 0.000 3.370 79 A HA 0.399 4.719 4.320 -0.000 0.000 0.295 79 A C -1.366 176.349 177.584 0.219 0.000 1.030 79 A CA -0.575 51.553 52.037 0.151 0.000 0.883 79 A CB -0.645 18.451 19.000 0.159 0.000 1.191 79 A HN 0.451 nan 8.150 nan 0.000 0.507 80 F N -0.055 120.076 119.950 0.301 0.000 2.450 80 F HA 0.285 4.812 4.527 -0.000 0.000 0.339 80 F C 0.566 176.488 175.800 0.203 0.000 1.146 80 F CA 0.355 58.517 58.000 0.270 0.000 1.267 80 F CB 0.486 39.603 39.000 0.194 0.000 1.178 80 F HN 0.515 nan 8.300 nan 0.000 0.585 81 Y N 2.559 123.067 120.300 0.347 0.000 2.359 81 Y HA 0.221 4.771 4.550 -0.000 0.000 0.334 81 Y C -0.186 175.899 175.900 0.308 0.000 1.058 81 Y CA -0.758 57.484 58.100 0.236 0.000 1.244 81 Y CB 0.060 38.752 38.460 0.386 0.000 1.187 81 Y HN 0.526 nan 8.280 nan 0.000 0.510 82 N N 6.805 125.423 118.700 -0.137 0.000 2.458 82 N HA 0.341 5.081 4.740 -0.000 0.000 0.270 82 N C -0.785 174.762 175.510 0.062 0.000 1.102 82 N CA -0.367 52.678 53.050 -0.010 0.000 0.967 82 N CB 0.851 39.284 38.487 -0.090 0.000 1.078 82 N HN 0.602 nan 8.380 nan 0.000 0.471 83 I N -1.527 119.139 120.570 0.160 0.000 2.982 83 I HA 0.489 4.659 4.170 -0.000 0.000 0.312 83 I C 0.679 176.826 176.117 0.049 0.000 1.041 83 I CA -0.979 60.405 61.300 0.139 0.000 1.053 83 I CB 1.493 39.547 38.000 0.090 0.000 1.248 83 I HN 0.147 nan 8.210 nan 0.000 0.471 84 K N 2.201 122.617 120.400 0.028 0.000 2.186 84 K HA 0.203 4.523 4.320 -0.000 0.000 0.202 84 K C 1.002 177.596 176.600 -0.010 0.000 1.052 84 K CA 0.646 56.937 56.287 0.006 0.000 0.965 84 K CB -0.469 32.034 32.500 0.005 0.000 0.746 84 K HN 0.907 nan 8.250 nan 0.000 0.457 85 G N 1.589 110.374 108.800 -0.024 0.000 2.716 85 G HA2 0.047 4.007 3.960 -0.000 0.000 0.251 85 G HA3 0.047 4.007 3.960 -0.000 0.000 0.251 85 G C -0.651 174.231 174.900 -0.030 0.000 1.224 85 G CA -0.254 44.824 45.100 -0.038 0.000 0.891 85 G HN 0.162 nan 8.290 nan 0.000 0.561 86 E N -0.835 119.343 120.200 -0.036 0.000 2.166 86 E HA 0.497 4.847 4.350 -0.000 0.000 0.275 86 E C 0.112 176.689 176.600 -0.038 0.000 0.941 86 E CA -0.750 55.630 56.400 -0.033 0.000 0.784 86 E CB 0.699 30.379 29.700 -0.033 0.000 1.115 86 E HN 0.515 nan 8.360 nan 0.000 0.399 87 T N 4.247 118.780 114.554 -0.036 0.000 2.946 87 T HA 0.083 4.432 4.350 -0.000 0.000 0.312 87 T C 0.771 175.444 174.700 -0.044 0.000 1.066 87 T CA 0.266 62.343 62.100 -0.040 0.000 1.138 87 T CB -0.077 68.760 68.868 -0.051 0.000 1.014 87 T HN 0.670 nan 8.240 nan 0.000 0.544 88 R N 2.747 123.223 120.500 -0.040 0.000 2.649 88 R HA 0.296 4.636 4.340 -0.000 0.000 0.270 88 R C -0.435 175.834 176.300 -0.052 0.000 1.105 88 R CA -0.617 55.458 56.100 -0.042 0.000 1.193 88 R CB 0.384 30.664 30.300 -0.033 0.000 1.120 88 R HN 0.523 nan 8.270 nan 0.000 0.561 89 N N -0.797 117.870 118.700 -0.056 0.000 2.492 89 N HA 0.329 5.069 4.740 -0.000 0.000 0.289 89 N C -1.267 174.215 175.510 -0.047 0.000 1.133 89 N CA -0.443 52.567 53.050 -0.067 0.000 0.961 89 N CB 1.633 40.074 38.487 -0.077 0.000 1.186 89 N HN 0.442 nan 8.380 nan 0.000 0.493 90 C N 1.593 120.863 119.300 -0.050 0.000 2.563 90 C HA 0.573 5.032 4.460 -0.000 0.000 0.314 90 C C -0.771 174.188 174.990 -0.053 0.000 1.199 90 C CA -0.807 58.190 59.018 -0.035 0.000 1.564 90 C CB 0.552 28.280 27.740 -0.019 0.000 2.173 90 C HN 0.539 nan 8.230 nan 0.000 0.485 91 I N 2.519 123.070 120.570 -0.032 0.000 2.441 91 I HA 0.625 4.794 4.170 -0.000 0.000 0.295 91 I C 0.213 176.325 176.117 -0.008 0.000 0.994 91 I CA -0.349 60.928 61.300 -0.038 0.000 1.144 91 I CB 1.172 39.191 38.000 0.032 0.000 1.314 91 I HN 0.786 nan 8.210 nan 0.000 0.445 92 A N 7.652 130.456 122.820 -0.027 0.000 2.311 92 A HA 0.769 5.088 4.320 -0.000 0.000 0.306 92 A C -0.554 177.078 177.584 0.079 0.000 1.189 92 A CA -0.470 51.582 52.037 0.025 0.000 0.791 92 A CB 0.615 19.618 19.000 0.005 0.000 1.172 92 A HN 0.627 nan 8.150 nan 0.000 0.481 93 I N 3.568 124.223 120.570 0.142 0.000 2.304 93 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 93 I C -0.619 175.662 176.117 0.273 0.000 1.018 93 I CA -0.207 61.213 61.300 0.201 0.000 1.260 93 I CB 1.175 39.241 38.000 0.111 0.000 1.390 93 I HN 0.474 nan 8.210 nan 0.000 0.475 94 L N 7.634 128.994 121.223 0.228 0.000 2.262 94 L HA 0.483 4.823 4.340 -0.000 0.000 0.288 94 L C -0.459 176.553 176.870 0.237 0.000 1.035 94 L CA -0.551 54.401 54.840 0.187 0.000 0.820 94 L CB 0.220 42.339 42.059 0.100 0.000 1.204 94 L HN 0.647 nan 8.230 nan 0.000 0.424 95 H N 2.159 121.247 119.070 0.031 0.000 2.966 95 H HA 0.240 4.796 4.556 -0.000 0.000 0.347 95 H C -0.563 174.775 175.328 0.017 0.000 1.048 95 H CA -0.959 55.103 56.048 0.023 0.000 1.295 95 H CB 1.146 30.920 29.762 0.020 0.000 1.744 95 H HN 0.689 nan 8.280 nan 0.000 0.513 96 E N 2.022 122.219 120.200 -0.006 0.000 2.328 96 E HA -0.265 4.085 4.350 -0.000 0.000 0.233 96 E C 0.903 177.438 176.600 -0.107 0.000 1.219 96 E CA 0.998 57.369 56.400 -0.048 0.000 0.717 96 E CB -1.615 28.074 29.700 -0.018 0.000 1.210 96 E HN 1.218 nan 8.360 nan 0.000 0.381 97 G N -0.293 108.453 108.800 -0.090 0.000 2.205 97 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 97 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 97 G C 0.190 175.018 174.900 -0.120 0.000 0.980 97 G CA 0.751 45.803 45.100 -0.080 0.000 0.632 97 G HN 0.376 nan 8.290 nan 0.000 0.533 98 Q N -0.319 119.335 119.800 -0.243 0.000 2.214 98 Q HA 0.596 4.936 4.340 -0.000 0.000 0.251 98 Q C -0.109 175.791 176.000 -0.167 0.000 0.936 98 Q CA -0.400 55.234 55.803 -0.281 0.000 0.894 98 Q CB 1.387 29.793 28.738 -0.553 0.000 1.252 98 Q HN 0.356 nan 8.270 nan 0.000 0.448 99 Q N 1.392 121.160 119.800 -0.054 0.000 2.401 99 Q HA 0.259 4.599 4.340 -0.000 0.000 0.260 99 Q C -1.401 174.645 176.000 0.075 0.000 1.034 99 Q CA -0.228 55.595 55.803 0.033 0.000 0.737 99 Q CB 1.199 29.951 28.738 0.024 0.000 1.227 99 Q HN 0.519 nan 8.270 nan 0.000 0.488 100 T N 3.801 118.455 114.554 0.167 0.000 2.733 100 T HA 0.303 4.653 4.350 -0.000 0.000 0.294 100 T C -0.700 174.063 174.700 0.106 0.000 0.956 100 T CA -0.337 61.861 62.100 0.163 0.000 0.987 100 T CB 0.762 69.790 68.868 0.266 0.000 0.920 100 T HN 0.510 nan 8.240 nan 0.000 0.470 101 E N 2.663 122.905 120.200 0.070 0.000 2.195 101 E HA 0.544 4.893 4.350 -0.000 0.000 0.271 101 E C -0.576 176.047 176.600 0.038 0.000 0.923 101 E CA -0.720 55.709 56.400 0.048 0.000 0.790 101 E CB 2.027 31.749 29.700 0.036 0.000 1.155 101 E HN 0.513 nan 8.360 nan 0.000 0.402 102 I N 3.662 124.250 120.570 0.030 0.000 2.410 102 I HA 0.274 4.444 4.170 -0.000 0.000 0.286 102 I C -0.812 175.311 176.117 0.010 0.000 1.009 102 I CA -0.590 60.723 61.300 0.021 0.000 1.111 102 I CB 0.877 38.891 38.000 0.023 0.000 1.262 102 I HN 0.293 nan 8.210 nan 0.000 0.443 103 L N 6.448 127.676 121.223 0.008 0.000 2.305 103 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 103 L C -0.053 176.815 176.870 -0.002 0.000 1.013 103 L CA -0.630 54.212 54.840 0.003 0.000 0.819 103 L CB 1.405 43.469 42.059 0.008 0.000 1.227 103 L HN 0.577 nan 8.230 nan 0.000 0.417 104 E N 1.705 121.899 120.200 -0.009 0.000 2.301 104 E HA 0.051 4.401 4.350 -0.000 0.000 0.275 104 E C 0.352 176.942 176.600 -0.016 0.000 1.030 104 E CA -0.266 56.126 56.400 -0.014 0.000 0.852 104 E CB 1.916 31.603 29.700 -0.021 0.000 1.060 104 E HN 0.518 nan 8.360 nan 0.000 0.401 105 Q N 2.231 122.019 119.800 -0.020 0.000 2.084 105 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 105 Q C 0.649 176.629 176.000 -0.034 0.000 0.978 105 Q CA 1.515 57.303 55.803 -0.025 0.000 0.844 105 Q CB 0.012 28.733 28.738 -0.029 0.000 0.898 105 Q HN 0.798 nan 8.270 nan 0.000 0.426 106 G N 0.137 108.915 108.800 -0.038 0.000 2.582 106 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.222 106 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.222 106 G C -2.635 172.229 174.900 -0.060 0.000 1.311 106 G CA -0.406 44.667 45.100 -0.045 0.000 0.915 106 G HN 0.355 nan 8.290 nan 0.000 0.528 107 P HA 0.426 nan 4.420 nan 0.000 0.276 107 P C -0.530 176.697 177.300 -0.122 0.000 1.244 107 P CA -0.198 62.849 63.100 -0.088 0.000 0.801 107 P CB 1.223 32.870 31.700 -0.088 0.000 1.006 108 E N 0.983 121.110 120.200 -0.122 0.000 2.227 108 E HA 0.301 4.651 4.350 -0.000 0.000 0.282 108 E C -0.437 176.042 176.600 -0.202 0.000 1.015 108 E CA -0.699 55.611 56.400 -0.150 0.000 0.823 108 E CB 0.392 30.025 29.700 -0.112 0.000 1.081 108 E HN 0.213 nan 8.360 nan 0.000 0.396 109 I N 4.816 125.213 120.570 -0.290 0.000 2.325 109 I HA 0.112 4.282 4.170 -0.000 0.000 0.291 109 I C 0.250 176.215 176.117 -0.254 0.000 1.019 109 I CA -0.614 60.453 61.300 -0.388 0.000 1.302 109 I CB 0.195 37.777 38.000 -0.697 0.000 1.401 109 I HN 0.640 nan 8.210 nan 0.000 0.485 110 D N 5.111 125.408 120.400 -0.171 0.000 2.411 110 D HA 0.075 4.715 4.640 -0.000 0.000 0.251 110 D C 0.666 176.919 176.300 -0.079 0.000 1.201 110 D CA -0.366 53.575 54.000 -0.099 0.000 0.996 110 D CB 0.579 41.349 40.800 -0.051 0.000 1.101 110 D HN 0.244 nan 8.370 nan 0.000 0.504 111 N N -0.424 118.253 118.700 -0.038 0.000 2.166 111 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 111 N C 1.575 177.101 175.510 0.025 0.000 1.019 111 N CA 1.069 54.114 53.050 -0.009 0.000 0.856 111 N CB -0.232 38.258 38.487 0.004 0.000 0.993 111 N HN 0.530 nan 8.380 nan 0.000 0.426 112 Q N 0.526 120.350 119.800 0.039 0.000 2.079 112 Q HA -0.080 4.260 4.340 -0.000 0.000 0.200 112 Q C 1.722 177.785 176.000 0.105 0.000 0.974 112 Q CA 1.145 56.995 55.803 0.078 0.000 0.840 112 Q CB -0.050 28.741 28.738 0.089 0.000 0.898 112 Q HN 0.490 nan 8.270 nan 0.000 0.430 113 E N 0.432 120.690 120.200 0.096 0.000 2.072 113 E HA -0.176 4.173 4.350 -0.000 0.000 0.191 113 E C 1.959 178.569 176.600 0.016 0.000 0.985 113 E CA 0.915 57.387 56.400 0.119 0.000 0.801 113 E CB -0.125 29.633 29.700 0.097 0.000 0.750 113 E HN 0.352 nan 8.360 nan 0.000 0.452 114 A N 1.389 124.220 122.820 0.018 0.000 1.902 114 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 114 A C 2.359 180.116 177.584 0.289 0.000 1.181 114 A CA 1.815 53.931 52.037 0.132 0.000 0.623 114 A CB -0.633 18.361 19.000 -0.009 0.000 0.818 114 A HN 0.301 nan 8.150 nan 0.000 0.443 115 A N -0.673 122.241 122.820 0.156 0.000 1.897 115 A HA 0.233 4.553 4.320 -0.000 0.000 0.215 115 A C 2.406 180.043 177.584 0.088 0.000 1.181 115 A CA 1.665 53.783 52.037 0.134 0.000 0.620 115 A CB -1.330 17.729 19.000 0.098 0.000 0.821 115 A HN 0.703 nan 8.150 nan 0.000 0.443 116 G N -0.847 107.967 108.800 0.025 0.000 2.446 116 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.217 116 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.217 116 G C 1.485 176.241 174.900 -0.240 0.000 1.168 116 G CA 1.250 46.322 45.100 -0.045 0.000 0.771 116 G HN 0.528 nan 8.290 nan 0.000 0.551 117 F N 1.272 120.880 119.950 -0.569 0.000 2.134 117 F HA -0.035 4.492 4.527 -0.000 0.000 0.299 117 F C 2.405 178.234 175.800 0.047 0.000 1.097 117 F CA 0.875 58.697 58.000 -0.297 0.000 1.264 117 F CB -0.010 38.846 39.000 -0.239 0.000 1.001 117 F HN 0.006 nan 8.300 nan 0.000 0.479 118 I N 0.852 121.470 120.570 0.081 0.000 2.208 118 I HA -0.309 3.860 4.170 -0.000 0.000 0.245 118 I C 2.293 178.387 176.117 -0.039 0.000 1.097 118 I CA 1.602 62.893 61.300 -0.015 0.000 1.363 118 I CB -1.257 36.766 38.000 0.038 0.000 1.051 118 I HN 0.248 nan 8.210 nan 0.000 0.413 119 K N -0.575 119.828 120.400 0.005 0.000 2.057 119 K HA -0.236 4.084 4.320 -0.000 0.000 0.207 119 K C 2.204 178.811 176.600 0.012 0.000 1.049 119 K CA 1.370 57.670 56.287 0.022 0.000 0.931 119 K CB -0.322 32.218 32.500 0.068 0.000 0.714 119 K HN 0.281 nan 8.250 nan 0.000 0.440 120 H N 0.184 119.203 119.070 -0.085 0.000 2.319 120 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 120 H C 1.777 176.971 175.328 -0.223 0.000 1.092 120 H CA 1.890 57.880 56.048 -0.096 0.000 1.302 120 H CB -0.356 29.415 29.762 0.014 0.000 1.373 120 H HN 0.171 nan 8.280 nan 0.000 0.497 121 F N 1.444 121.013 119.950 -0.636 0.000 2.171 121 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 121 F C 2.204 177.778 175.800 -0.377 0.000 1.090 121 F CA 1.821 59.428 58.000 -0.655 0.000 1.293 121 F CB -0.226 38.315 39.000 -0.764 0.000 1.013 121 F HN 0.285 nan 8.300 nan 0.000 0.486 122 E N -0.293 119.747 120.200 -0.265 0.000 2.110 122 E HA -0.265 4.084 4.350 -0.000 0.000 0.193 122 E C 2.171 178.596 176.600 -0.292 0.000 0.988 122 E CA 1.570 57.819 56.400 -0.252 0.000 0.804 122 E CB -0.234 29.404 29.700 -0.103 0.000 0.745 122 E HN 0.622 nan 8.360 nan 0.000 0.458 123 Q N 0.294 119.936 119.800 -0.264 0.000 2.079 123 Q HA -0.110 4.230 4.340 -0.000 0.000 0.200 123 Q C 2.388 178.203 176.000 -0.308 0.000 0.974 123 Q CA 0.918 56.583 55.803 -0.230 0.000 0.840 123 Q CB -0.094 28.555 28.738 -0.149 0.000 0.898 123 Q HN 0.325 nan 8.270 nan 0.000 0.430 124 L N 0.580 121.528 121.223 -0.458 0.000 2.083 124 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 124 L C 2.336 178.948 176.870 -0.430 0.000 1.083 124 L CA 0.779 55.350 54.840 -0.448 0.000 0.752 124 L CB -0.488 41.250 42.059 -0.534 0.000 0.899 124 L HN 0.279 nan 8.230 nan 0.000 0.433 125 L N -0.163 120.722 121.223 -0.562 0.000 2.189 125 L HA -0.214 4.126 4.340 -0.000 0.000 0.214 125 L C 2.580 179.289 176.870 -0.269 0.000 1.097 125 L CA 1.040 55.600 54.840 -0.468 0.000 0.764 125 L CB -0.427 41.333 42.059 -0.500 0.000 0.900 125 L HN 0.362 nan 8.230 nan 0.000 0.436 126 E N 0.655 120.719 120.200 -0.227 0.000 2.338 126 E HA -0.180 4.170 4.350 -0.000 0.000 0.197 126 E C 1.154 177.681 176.600 -0.122 0.000 1.007 126 E CA 0.901 57.213 56.400 -0.148 0.000 0.849 126 E CB 0.011 29.636 29.700 -0.124 0.000 0.774 126 E HN 0.646 nan 8.360 nan 0.000 0.506 127 K N -0.204 120.110 120.400 -0.142 0.000 2.646 127 K HA 0.238 4.558 4.320 -0.000 0.000 0.206 127 K C 0.274 176.810 176.600 -0.108 0.000 1.069 127 K CA -0.115 56.108 56.287 -0.106 0.000 1.067 127 K CB 0.536 32.978 32.500 -0.097 0.000 0.807 127 K HN -0.072 nan 8.250 nan 0.000 0.482 128 V N -2.739 117.099 119.914 -0.126 0.000 3.130 128 V HA 0.457 4.577 4.120 -0.000 0.000 0.310 128 V C -0.238 175.797 176.094 -0.098 0.000 1.158 128 V CA -0.840 61.387 62.300 -0.121 0.000 1.029 128 V CB 2.132 33.867 31.823 -0.146 0.000 1.057 128 V HN 0.189 nan 8.190 nan 0.000 0.436 129 E N 0.994 121.136 120.200 -0.097 0.000 2.572 129 E HA 0.664 5.014 4.350 -0.000 0.000 0.220 129 E C 0.189 176.745 176.600 -0.073 0.000 0.945 129 E CA 0.561 56.921 56.400 -0.067 0.000 1.070 129 E CB 1.565 31.237 29.700 -0.046 0.000 1.090 129 E HN 1.095 nan 8.360 nan 0.000 0.506 130 A N 0.727 123.493 122.820 -0.090 0.000 2.547 130 A HA 0.589 4.909 4.320 -0.000 0.000 0.297 130 A C -1.274 176.280 177.584 -0.049 0.000 1.056 130 A CA -0.524 51.472 52.037 -0.069 0.000 0.688 130 A CB 1.675 20.617 19.000 -0.097 0.000 1.282 130 A HN -0.022 nan 8.150 nan 0.000 0.400 131 V N 1.292 121.200 119.914 -0.011 0.000 2.444 131 V HA 0.709 4.829 4.120 -0.000 0.000 0.294 131 V C 0.366 176.463 176.094 0.005 0.000 1.022 131 V CA -0.205 62.112 62.300 0.028 0.000 0.850 131 V CB 1.491 33.389 31.823 0.124 0.000 0.992 131 V HN 1.419 nan 8.190 nan 0.000 0.426 132 A N 6.689 129.507 122.820 -0.005 0.000 2.260 132 A HA 0.847 5.167 4.320 -0.000 0.000 0.314 132 A C -0.575 176.995 177.584 -0.024 0.000 1.257 132 A CA -0.389 51.633 52.037 -0.025 0.000 0.871 132 A CB 0.287 19.268 19.000 -0.031 0.000 1.166 132 A HN 0.787 nan 8.150 nan 0.000 0.522 133 I N 2.364 122.889 120.570 -0.074 0.000 2.362 133 I HA 0.354 4.524 4.170 -0.000 0.000 0.289 133 I C -0.147 175.891 176.117 -0.132 0.000 0.994 133 I CA -0.068 61.149 61.300 -0.137 0.000 1.158 133 I CB 1.918 39.719 38.000 -0.331 0.000 1.315 133 I HN 0.527 nan 8.210 nan 0.000 0.451 134 S N 3.802 119.475 115.700 -0.045 0.000 2.521 134 S HA 0.900 5.370 4.470 -0.000 0.000 0.295 134 S C 0.045 174.696 174.600 0.085 0.000 1.098 134 S CA -0.523 57.680 58.200 0.006 0.000 0.999 134 S CB 2.059 65.275 63.200 0.027 0.000 1.034 134 S HN 1.128 nan 8.310 nan 0.000 0.483 135 G N 1.926 110.788 108.800 0.103 0.000 2.661 135 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.685 135 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.685 135 G C -0.311 174.735 174.900 0.243 0.000 1.298 135 G CA -0.505 44.683 45.100 0.146 0.000 0.855 135 G HN 1.343 nan 8.290 nan 0.000 0.560 136 S N -0.827 114.973 115.700 0.167 0.000 2.669 136 S HA 0.753 5.223 4.470 -0.000 0.000 0.270 136 S C 0.607 175.236 174.600 0.048 0.000 1.225 136 S CA -0.751 57.528 58.200 0.132 0.000 0.991 136 S CB 1.336 64.576 63.200 0.067 0.000 0.987 136 S HN 0.964 nan 8.310 nan 0.000 0.552 137 L N 2.288 123.454 121.223 -0.095 0.000 2.380 137 L HA 0.371 4.711 4.340 -0.000 0.000 0.273 137 L C -1.743 175.051 176.870 -0.126 0.000 1.138 137 L CA -1.893 52.824 54.840 -0.206 0.000 0.832 137 L CB 0.092 41.964 42.059 -0.312 0.000 1.124 137 L HN 0.560 nan 8.230 nan 0.000 0.454 138 P HA 0.021 nan 4.420 nan 0.000 0.272 138 P C -0.742 176.454 177.300 -0.173 0.000 1.240 138 P CA -0.530 62.490 63.100 -0.134 0.000 0.791 138 P CB 0.623 32.226 31.700 -0.161 0.000 0.978 139 K N 0.150 120.463 120.400 -0.144 0.000 2.485 139 K HA 0.194 4.514 4.320 -0.000 0.000 0.277 139 K C 1.165 177.656 176.600 -0.181 0.000 0.990 139 K CA 1.070 57.275 56.287 -0.137 0.000 0.994 139 K CB -0.541 31.897 32.500 -0.104 0.000 0.906 139 K HN 0.797 nan 8.250 nan 0.000 0.488 140 G N 2.873 111.577 108.800 -0.160 0.000 2.258 140 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.233 140 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.233 140 G C 0.034 174.810 174.900 -0.206 0.000 1.006 140 G CA -0.074 44.923 45.100 -0.172 0.000 0.620 140 G HN 0.504 nan 8.290 nan 0.000 0.511 141 L N 1.582 122.644 121.223 -0.268 0.000 2.380 141 L HA 0.290 4.630 4.340 -0.000 0.000 0.273 141 L C 0.976 177.741 176.870 -0.175 0.000 1.138 141 L CA -0.792 53.847 54.840 -0.335 0.000 0.832 141 L CB 0.757 42.502 42.059 -0.524 0.000 1.124 141 L HN 0.285 nan 8.230 nan 0.000 0.454 142 N N 2.327 120.974 118.700 -0.087 0.000 2.353 142 N HA -0.087 4.653 4.740 -0.000 0.000 0.248 142 N C 0.740 176.258 175.510 0.014 0.000 1.240 142 N CA 0.410 53.461 53.050 0.001 0.000 0.862 142 N CB 0.909 39.439 38.487 0.071 0.000 1.086 142 N HN 0.629 nan 8.380 nan 0.000 0.453 143 Q N 0.674 120.479 119.800 0.009 0.000 2.297 143 Q HA -0.186 4.154 4.340 -0.000 0.000 0.208 143 Q C 0.461 176.492 176.000 0.052 0.000 0.981 143 Q CA 1.382 57.193 55.803 0.012 0.000 0.876 143 Q CB -0.015 28.732 28.738 0.014 0.000 0.921 143 Q HN 0.661 nan 8.270 nan 0.000 0.446 144 D N -1.150 119.299 120.400 0.082 0.000 2.336 144 D HA -0.142 4.498 4.640 -0.000 0.000 0.229 144 D C 1.129 177.506 176.300 0.129 0.000 1.061 144 D CA 0.065 54.126 54.000 0.101 0.000 0.875 144 D CB -0.265 40.588 40.800 0.088 0.000 0.904 144 D HN 0.197 nan 8.370 nan 0.000 0.525 145 Y N 0.478 120.761 120.300 -0.028 0.000 2.181 145 Y HA -0.240 4.309 4.550 -0.000 0.000 0.288 145 Y C 1.463 177.388 175.900 0.041 0.000 1.146 145 Y CA 1.555 59.635 58.100 -0.035 0.000 1.164 145 Y CB -0.304 38.083 38.460 -0.123 0.000 0.982 145 Y HN -0.082 nan 8.280 nan 0.000 0.515 146 Y N -0.879 119.477 120.300 0.093 0.000 2.224 146 Y HA -0.156 4.394 4.550 -0.000 0.000 0.289 146 Y C 2.565 178.449 175.900 -0.027 0.000 1.146 146 Y CA 0.657 58.759 58.100 0.004 0.000 1.182 146 Y CB -1.335 37.153 38.460 0.047 0.000 0.983 146 Y HN 0.180 nan 8.280 nan 0.000 0.524 147 A N -0.177 122.749 122.820 0.176 0.000 1.933 147 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 147 A C 2.208 179.826 177.584 0.057 0.000 1.175 147 A CA 1.404 53.522 52.037 0.135 0.000 0.628 147 A CB -0.490 18.599 19.000 0.149 0.000 0.814 147 A HN 0.366 nan 8.150 nan 0.000 0.444 148 Q N -0.317 119.472 119.800 -0.020 0.000 2.096 148 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 148 Q C 2.158 178.057 176.000 -0.167 0.000 0.982 148 Q CA 1.608 57.341 55.803 -0.117 0.000 0.850 148 Q CB -0.424 28.197 28.738 -0.195 0.000 0.901 148 Q HN 0.778 nan 8.270 nan 0.000 0.422 149 I N 0.400 120.842 120.570 -0.213 0.000 2.202 149 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 149 I C 2.298 178.364 176.117 -0.085 0.000 1.091 149 I CA 0.957 62.090 61.300 -0.278 0.000 1.368 149 I CB -0.236 37.527 38.000 -0.395 0.000 1.058 149 I HN 0.117 nan 8.210 nan 0.000 0.410 150 I N 0.367 120.920 120.570 -0.028 0.000 2.315 150 I HA -0.277 3.892 4.170 -0.000 0.000 0.248 150 I C 2.571 178.690 176.117 0.004 0.000 1.117 150 I CA 1.257 62.576 61.300 0.033 0.000 1.404 150 I CB -0.442 37.602 38.000 0.073 0.000 1.071 150 I HN 0.317 nan 8.210 nan 0.000 0.419 151 E N 1.216 121.348 120.200 -0.114 0.000 2.070 151 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 151 E C 2.349 178.788 176.600 -0.267 0.000 1.004 151 E CA 1.307 57.428 56.400 -0.466 0.000 0.805 151 E CB 0.128 29.400 29.700 -0.713 0.000 0.744 151 E HN 0.268 nan 8.360 nan 0.000 0.451 152 R N 0.287 120.722 120.500 -0.109 0.000 2.081 152 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 152 R C 2.476 178.791 176.300 0.024 0.000 1.131 152 R CA 1.272 57.367 56.100 -0.009 0.000 0.960 152 R CB -1.458 28.930 30.300 0.145 0.000 0.856 152 R HN 0.384 nan 8.270 nan 0.000 0.436 153 C N 0.481 119.835 119.300 0.089 0.000 2.453 153 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 153 C C 2.743 177.750 174.990 0.029 0.000 1.262 153 C CA 0.529 59.589 59.018 0.071 0.000 1.718 153 C CB -0.747 27.064 27.740 0.119 0.000 2.031 153 C HN 0.449 nan 8.230 nan 0.000 0.480 154 Q N 1.857 121.674 119.800 0.028 0.000 2.077 154 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 154 Q C 1.868 177.879 176.000 0.019 0.000 0.989 154 Q CA 1.894 57.725 55.803 0.047 0.000 0.853 154 Q CB -0.494 28.303 28.738 0.099 0.000 0.907 154 Q HN 0.602 nan 8.270 nan 0.000 0.418 155 N N -0.161 118.521 118.700 -0.031 0.000 2.192 155 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 155 N C 0.780 176.278 175.510 -0.020 0.000 1.013 155 N CA 1.125 54.157 53.050 -0.032 0.000 0.863 155 N CB -0.022 38.426 38.487 -0.065 0.000 0.990 155 N HN 0.183 nan 8.380 nan 0.000 0.430 156 K N -0.423 119.963 120.400 -0.023 0.000 2.358 156 K HA 0.215 4.535 4.320 -0.000 0.000 0.197 156 K C 0.679 177.273 176.600 -0.009 0.000 1.025 156 K CA 0.129 56.400 56.287 -0.028 0.000 1.104 156 K CB 0.232 32.696 32.500 -0.059 0.000 0.855 156 K HN 0.200 nan 8.250 nan 0.000 0.531 157 G N 1.757 110.564 108.800 0.010 0.000 2.225 157 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.267 157 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.267 157 G C 0.064 174.980 174.900 0.026 0.000 1.024 157 G CA 0.310 45.426 45.100 0.026 0.000 0.784 157 G HN 0.120 nan 8.290 nan 0.000 0.507 158 V N 2.302 122.225 119.914 0.015 0.000 2.385 158 V HA 0.396 4.516 4.120 -0.000 0.000 0.269 158 V C -1.091 175.022 176.094 0.032 0.000 1.043 158 V CA -1.575 60.731 62.300 0.010 0.000 0.906 158 V CB 1.336 33.147 31.823 -0.020 0.000 0.995 158 V HN 0.271 nan 8.190 nan 0.000 0.467 159 P HA 0.165 nan 4.420 nan 0.000 0.268 159 P C -0.687 176.632 177.300 0.032 0.000 1.205 159 P CA 0.029 63.156 63.100 0.045 0.000 0.771 159 P CB 1.181 32.909 31.700 0.047 0.000 0.858 160 V N 4.733 124.671 119.914 0.040 0.000 2.417 160 V HA 0.254 4.374 4.120 -0.000 0.000 0.291 160 V C 0.402 176.500 176.094 0.007 0.000 1.024 160 V CA -0.550 61.764 62.300 0.023 0.000 0.861 160 V CB 1.257 33.096 31.823 0.027 0.000 0.985 160 V HN 0.332 nan 8.190 nan 0.000 0.436 161 I N 6.087 126.646 120.570 -0.020 0.000 2.312 161 I HA 0.398 4.568 4.170 -0.000 0.000 0.290 161 I C -0.428 175.657 176.117 -0.054 0.000 1.008 161 I CA -0.124 61.155 61.300 -0.037 0.000 1.226 161 I CB 1.369 39.333 38.000 -0.059 0.000 1.371 161 I HN 0.410 nan 8.210 nan 0.000 0.468 162 L N 6.904 128.098 121.223 -0.050 0.000 2.305 162 L HA 0.555 4.895 4.340 -0.000 0.000 0.284 162 L C -0.804 176.033 176.870 -0.056 0.000 1.013 162 L CA 0.031 54.821 54.840 -0.082 0.000 0.819 162 L CB 1.177 43.190 42.059 -0.076 0.000 1.227 162 L HN 0.481 nan 8.230 nan 0.000 0.417 163 D N 4.803 125.164 120.400 -0.065 0.000 2.412 163 D HA 0.390 5.030 4.640 -0.000 0.000 0.276 163 D C -0.880 175.418 176.300 -0.004 0.000 1.196 163 D CA -0.190 53.795 54.000 -0.025 0.000 0.905 163 D CB 0.428 41.217 40.800 -0.018 0.000 1.081 163 D HN 0.665 nan 8.370 nan 0.000 0.502 164 C N 0.458 119.768 119.300 0.017 0.000 3.259 164 C HA 1.007 5.466 4.460 -0.000 0.000 0.328 164 C C -0.132 174.903 174.990 0.076 0.000 1.425 164 C CA -0.673 58.386 59.018 0.068 0.000 1.465 164 C CB 1.222 29.038 27.740 0.126 0.000 1.890 164 C HN 0.460 nan 8.230 nan 0.000 0.450 165 S N -0.676 115.078 115.700 0.091 0.000 2.685 165 S HA 0.911 5.381 4.470 -0.000 0.000 0.282 165 S C 0.345 174.997 174.600 0.086 0.000 1.159 165 S CA 0.496 58.746 58.200 0.083 0.000 0.833 165 S CB 0.719 63.960 63.200 0.068 0.000 1.151 165 S HN 3.005 nan 8.310 nan 0.000 0.485 166 G N 1.407 110.256 108.800 0.080 0.000 2.614 166 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.303 166 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.303 166 G C 1.127 176.070 174.900 0.072 0.000 1.270 166 G CA 1.032 46.175 45.100 0.072 0.000 0.988 166 G HN 1.954 nan 8.290 nan 0.000 0.551 167 A N -1.781 121.075 122.820 0.061 0.000 2.015 167 A HA 0.165 4.484 4.320 -0.000 0.000 0.219 167 A C 2.585 180.212 177.584 0.072 0.000 1.163 167 A CA 2.942 55.013 52.037 0.056 0.000 0.646 167 A CB -0.931 18.093 19.000 0.040 0.000 0.806 167 A HN 1.242 nan 8.150 nan 0.000 0.448 168 T N 0.308 114.915 114.554 0.088 0.000 2.652 168 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 168 T C 1.835 176.630 174.700 0.158 0.000 1.039 168 T CA 1.583 63.762 62.100 0.131 0.000 1.153 168 T CB -0.433 68.534 68.868 0.166 0.000 0.863 168 T HN 0.310 nan 8.240 nan 0.000 0.428 169 L N 1.103 122.407 121.223 0.134 0.000 1.989 169 L HA -0.083 4.256 4.340 -0.000 0.000 0.211 169 L C 2.576 179.512 176.870 0.109 0.000 1.071 169 L CA 1.859 56.774 54.840 0.124 0.000 0.749 169 L CB -0.922 41.208 42.059 0.118 0.000 0.890 169 L HN 0.244 nan 8.230 nan 0.000 0.431 170 Q N -1.530 118.322 119.800 0.087 0.000 2.181 170 Q HA -0.203 4.137 4.340 -0.000 0.000 0.205 170 Q C 1.898 177.928 176.000 0.050 0.000 0.980 170 Q CA 2.170 58.005 55.803 0.054 0.000 0.862 170 Q CB -0.030 28.730 28.738 0.037 0.000 0.905 170 Q HN 0.603 nan 8.270 nan 0.000 0.429 171 T N -0.245 114.350 114.554 0.069 0.000 2.708 171 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 171 T C 1.815 176.565 174.700 0.083 0.000 1.037 171 T CA 1.358 63.500 62.100 0.070 0.000 1.146 171 T CB -0.239 68.677 68.868 0.080 0.000 0.865 171 T HN 0.092 nan 8.240 nan 0.000 0.435 172 V N 1.714 121.695 119.914 0.111 0.000 2.287 172 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 172 V C 2.510 178.653 176.094 0.081 0.000 1.053 172 V CA 1.551 63.919 62.300 0.113 0.000 1.027 172 V CB -0.733 31.165 31.823 0.125 0.000 0.646 172 V HN 0.457 nan 8.190 nan 0.000 0.447 173 L N -0.350 120.914 121.223 0.069 0.000 2.127 173 L HA -0.217 4.123 4.340 -0.000 0.000 0.211 173 L C 2.345 179.216 176.870 0.001 0.000 1.089 173 L CA 1.621 56.484 54.840 0.038 0.000 0.757 173 L CB -0.565 41.501 42.059 0.012 0.000 0.899 173 L HN 0.434 nan 8.230 nan 0.000 0.434 174 E N -0.207 119.997 120.200 0.006 0.000 2.478 174 E HA -0.045 4.305 4.350 -0.000 0.000 0.194 174 E C 0.495 177.095 176.600 -0.001 0.000 1.045 174 E CA -0.172 56.223 56.400 -0.007 0.000 0.868 174 E CB 0.070 29.768 29.700 -0.002 0.000 0.885 174 E HN 0.584 nan 8.360 nan 0.000 0.505 175 N N 0.422 119.133 118.700 0.018 0.000 2.495 175 N HA 0.087 4.827 4.740 -0.000 0.000 0.280 175 N C -1.817 173.669 175.510 -0.041 0.000 1.168 175 N CA -1.388 51.671 53.050 0.014 0.000 0.978 175 N CB 1.287 39.819 38.487 0.076 0.000 1.191 175 N HN -0.338 nan 8.380 nan 0.000 0.497 176 P HA -0.035 nan 4.420 nan 0.000 0.227 176 P C -0.653 176.422 177.300 -0.376 0.000 1.161 176 P CA 0.903 63.820 63.100 -0.304 0.000 0.788 176 P CB -0.024 31.390 31.700 -0.478 0.000 0.822 177 Y N 1.659 121.976 120.300 0.029 0.000 2.556 177 Y HA 0.211 4.761 4.550 -0.000 0.000 0.352 177 Y C 1.094 177.016 175.900 0.036 0.000 1.006 177 Y CA -0.433 57.686 58.100 0.031 0.000 1.277 177 Y CB 0.131 38.609 38.460 0.030 0.000 1.136 177 Y HN -0.254 nan 8.280 nan 0.000 0.523 178 K N 5.424 125.905 120.400 0.136 0.000 2.118 178 K HA 0.392 4.712 4.320 -0.000 0.000 0.267 178 K C -2.540 174.122 176.600 0.103 0.000 0.991 178 K CA -2.056 54.291 56.287 0.100 0.000 0.916 178 K CB 0.849 33.390 32.500 0.069 0.000 1.041 178 K HN 0.335 nan 8.250 nan 0.000 0.455 179 P HA 0.112 nan 4.420 nan 0.000 0.272 179 P C 0.166 177.517 177.300 0.086 0.000 1.240 179 P CA -0.150 62.993 63.100 0.071 0.000 0.791 179 P CB 0.593 32.324 31.700 0.051 0.000 0.978 180 T N -0.735 113.871 114.554 0.087 0.000 2.978 180 T HA 0.101 4.450 4.350 -0.000 0.000 0.262 180 T C 0.698 175.496 174.700 0.163 0.000 1.063 180 T CA 0.756 62.930 62.100 0.123 0.000 1.140 180 T CB 0.026 68.966 68.868 0.120 0.000 0.886 180 T HN 0.238 nan 8.240 nan 0.000 0.470 181 V N 2.756 122.736 119.914 0.109 0.000 2.686 181 V HA 0.576 4.695 4.120 -0.000 0.000 0.306 181 V C -0.614 175.512 176.094 0.054 0.000 1.065 181 V CA -1.378 60.983 62.300 0.102 0.000 0.894 181 V CB 1.902 33.727 31.823 0.005 0.000 1.004 181 V HN 0.380 nan 8.190 nan 0.000 0.424 182 I N 1.661 122.267 120.570 0.060 0.000 2.846 182 I HA 0.794 4.964 4.170 -0.000 0.000 0.307 182 I C -0.298 175.821 176.117 0.002 0.000 1.053 182 I CA -0.916 60.402 61.300 0.030 0.000 1.050 182 I CB 2.427 40.460 38.000 0.055 0.000 1.239 182 I HN 0.749 nan 8.210 nan 0.000 0.439 183 K N 2.014 122.409 120.400 -0.009 0.000 3.301 183 K HA 0.456 4.776 4.320 -0.000 0.000 0.170 183 K C -2.966 173.628 176.600 -0.011 0.000 1.061 183 K CA -1.093 55.182 56.287 -0.020 0.000 0.807 183 K CB 0.333 32.814 32.500 -0.032 0.000 0.889 183 K HN 0.394 nan 8.250 nan 0.000 0.564 184 P HA -0.001 nan 4.420 nan 0.000 0.271 184 P C -0.787 176.511 177.300 -0.004 0.000 1.216 184 P CA -0.206 62.893 63.100 -0.001 0.000 0.771 184 P CB 0.697 32.395 31.700 -0.003 0.000 0.864 185 N N 2.538 121.248 118.700 0.017 0.000 2.317 185 N HA 0.005 4.745 4.740 -0.000 0.000 0.245 185 N C 1.218 176.747 175.510 0.032 0.000 1.294 185 N CA -0.440 52.627 53.050 0.027 0.000 0.924 185 N CB 0.013 38.521 38.487 0.034 0.000 1.186 185 N HN 0.399 nan 8.380 nan 0.000 0.495 186 I N -0.646 119.956 120.570 0.054 0.000 2.286 186 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 186 I C 1.966 178.174 176.117 0.151 0.000 1.115 186 I CA 1.713 63.063 61.300 0.083 0.000 1.392 186 I CB -0.308 37.761 38.000 0.115 0.000 1.065 186 I HN 0.761 nan 8.210 nan 0.000 0.418 187 S N 0.115 115.891 115.700 0.126 0.000 2.355 187 S HA -0.236 4.234 4.470 -0.000 0.000 0.222 187 S C 1.814 176.493 174.600 0.132 0.000 1.031 187 S CA 1.401 59.685 58.200 0.141 0.000 0.993 187 S CB -0.641 62.613 63.200 0.091 0.000 0.859 187 S HN 0.581 nan 8.310 nan 0.000 0.453 188 E N 0.986 121.240 120.200 0.090 0.000 2.077 188 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 188 E C 2.052 178.706 176.600 0.089 0.000 0.989 188 E CA 1.186 57.637 56.400 0.085 0.000 0.800 188 E CB -0.385 29.355 29.700 0.067 0.000 0.746 188 E HN 0.487 nan 8.360 nan 0.000 0.452 189 L N 0.113 121.352 121.223 0.028 0.000 2.013 189 L HA -0.242 4.097 4.340 -0.000 0.000 0.212 189 L C 1.909 178.754 176.870 -0.041 0.000 1.073 189 L CA 1.857 56.660 54.840 -0.061 0.000 0.753 189 L CB -0.508 41.387 42.059 -0.273 0.000 0.890 189 L HN 0.122 nan 8.230 nan 0.000 0.432 190 Y N -0.978 119.384 120.300 0.104 0.000 2.337 190 Y HA -0.086 4.464 4.550 -0.000 0.000 0.293 190 Y C 2.702 178.652 175.900 0.082 0.000 1.123 190 Y CA 0.948 59.102 58.100 0.091 0.000 1.201 190 Y CB -0.443 38.048 38.460 0.051 0.000 1.011 190 Y HN 0.253 nan 8.280 nan 0.000 0.545 191 Q N 0.342 120.267 119.800 0.209 0.000 2.084 191 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 191 Q C 2.400 178.472 176.000 0.119 0.000 0.978 191 Q CA 1.279 57.165 55.803 0.139 0.000 0.844 191 Q CB -0.668 28.135 28.738 0.108 0.000 0.898 191 Q HN 0.529 nan 8.270 nan 0.000 0.426 192 L N 0.017 121.319 121.223 0.132 0.000 2.079 192 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 192 L C 2.181 179.098 176.870 0.078 0.000 1.081 192 L CA 0.909 55.819 54.840 0.117 0.000 0.752 192 L CB -0.281 41.897 42.059 0.198 0.000 0.896 192 L HN 0.189 nan 8.230 nan 0.000 0.433 193 L N -1.409 119.884 121.223 0.117 0.000 2.509 193 L HA 0.006 4.346 4.340 -0.000 0.000 0.222 193 L C 0.818 177.742 176.870 0.089 0.000 1.123 193 L CA 0.165 55.060 54.840 0.091 0.000 0.856 193 L CB -0.264 41.889 42.059 0.155 0.000 0.985 193 L HN 0.422 nan 8.230 nan 0.000 0.456 194 N N 1.008 119.769 118.700 0.102 0.000 2.780 194 N HA -0.183 4.557 4.740 -0.000 0.000 0.247 194 N C -0.296 175.268 175.510 0.090 0.000 1.076 194 N CA 0.074 53.172 53.050 0.081 0.000 0.688 194 N CB -0.291 38.226 38.487 0.049 0.000 0.957 194 N HN 0.484 nan 8.380 nan 0.000 0.551 195 Q N -0.308 119.574 119.800 0.138 0.000 2.458 195 Q HA 0.573 4.913 4.340 -0.000 0.000 0.282 195 Q C -2.540 173.492 176.000 0.053 0.000 1.106 195 Q CA -1.649 54.223 55.803 0.115 0.000 0.814 195 Q CB 1.880 30.749 28.738 0.218 0.000 1.425 195 Q HN 0.119 nan 8.270 nan 0.000 0.437 196 P HA 0.063 nan 4.420 nan 0.000 0.272 196 P C -0.907 176.152 177.300 -0.402 0.000 1.230 196 P CA -0.385 62.628 63.100 -0.144 0.000 0.788 196 P CB 0.501 32.123 31.700 -0.130 0.000 0.949 197 L N 2.133 123.158 121.223 -0.330 0.000 2.462 197 L HA 0.111 4.451 4.340 -0.000 0.000 0.283 197 L C 0.061 176.628 176.870 -0.505 0.000 1.166 197 L CA 0.133 54.693 54.840 -0.467 0.000 0.964 197 L CB -0.754 41.234 42.059 -0.120 0.000 1.294 197 L HN 0.227 nan 8.230 nan 0.000 0.449 198 D N 4.041 123.922 120.400 -0.865 0.000 2.359 198 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 198 D C 0.609 176.781 176.300 -0.213 0.000 1.118 198 D CA -0.303 53.442 54.000 -0.425 0.000 0.844 198 D CB 1.129 41.719 40.800 -0.349 0.000 1.059 198 D HN 0.662 nan 8.370 nan 0.000 0.493 199 E N 1.463 121.594 120.200 -0.116 0.000 2.368 199 E HA 0.067 4.417 4.350 -0.000 0.000 0.188 199 E C -0.067 176.483 176.600 -0.083 0.000 1.061 199 E CA -0.525 55.841 56.400 -0.056 0.000 0.933 199 E CB -0.071 29.607 29.700 -0.037 0.000 1.091 199 E HN 0.232 nan 8.360 nan 0.000 0.458 200 S N 0.265 115.909 115.700 -0.093 0.000 2.586 200 S HA 0.133 4.602 4.470 -0.000 0.000 0.274 200 S C 1.020 175.525 174.600 -0.158 0.000 1.281 200 S CA -0.896 57.243 58.200 -0.102 0.000 1.035 200 S CB 1.821 64.972 63.200 -0.082 0.000 0.962 200 S HN 0.428 nan 8.310 nan 0.000 0.512 201 L N 0.939 122.062 121.223 -0.165 0.000 2.043 201 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 201 L C 2.551 179.277 176.870 -0.241 0.000 1.075 201 L CA 2.446 57.146 54.840 -0.233 0.000 0.752 201 L CB -0.553 41.431 42.059 -0.125 0.000 0.891 201 L HN 0.960 nan 8.230 nan 0.000 0.432 202 E N -0.412 119.696 120.200 -0.152 0.000 2.153 202 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 202 E C 2.178 178.713 176.600 -0.108 0.000 0.988 202 E CA 1.663 57.986 56.400 -0.128 0.000 0.811 202 E CB -0.250 29.404 29.700 -0.077 0.000 0.746 202 E HN 0.530 nan 8.360 nan 0.000 0.466 203 S N -1.131 114.517 115.700 -0.086 0.000 2.357 203 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 203 S C 1.643 176.249 174.600 0.010 0.000 1.031 203 S CA 0.749 58.949 58.200 -0.000 0.000 0.982 203 S CB -0.310 62.902 63.200 0.021 0.000 0.853 203 S HN 0.258 nan 8.310 nan 0.000 0.458 204 L N 2.226 123.363 121.223 -0.143 0.000 1.997 204 L HA -0.123 4.217 4.340 -0.000 0.000 0.216 204 L C 2.343 179.091 176.870 -0.203 0.000 1.074 204 L CA 1.859 56.483 54.840 -0.361 0.000 0.763 204 L CB -0.980 40.431 42.059 -1.080 0.000 0.890 204 L HN 0.290 nan 8.230 nan 0.000 0.434 205 K N -1.231 119.013 120.400 -0.259 0.000 2.032 205 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 205 K C 2.070 178.685 176.600 0.024 0.000 1.048 205 K CA 1.259 57.394 56.287 -0.252 0.000 0.927 205 K CB -0.171 31.938 32.500 -0.652 0.000 0.712 205 K HN 0.397 nan 8.250 nan 0.000 0.441 206 Q N -0.036 119.774 119.800 0.016 0.000 2.079 206 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 206 Q C 2.229 178.316 176.000 0.145 0.000 0.974 206 Q CA 1.465 57.323 55.803 0.091 0.000 0.840 206 Q CB -0.216 28.562 28.738 0.066 0.000 0.898 206 Q HN 0.329 nan 8.270 nan 0.000 0.430 207 A N 0.369 123.264 122.820 0.125 0.000 1.898 207 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 207 A C 2.375 180.084 177.584 0.208 0.000 1.181 207 A CA 1.325 53.437 52.037 0.124 0.000 0.620 207 A CB -0.685 18.258 19.000 -0.095 0.000 0.819 207 A HN 0.204 nan 8.150 nan 0.000 0.442 208 V N 0.294 120.307 119.914 0.164 0.000 2.759 208 V HA -0.129 3.991 4.120 -0.000 0.000 0.256 208 V C 1.916 178.184 176.094 0.289 0.000 1.080 208 V CA 2.068 64.460 62.300 0.154 0.000 1.101 208 V CB -0.230 31.771 31.823 0.297 0.000 0.698 208 V HN 0.541 nan 8.190 nan 0.000 0.477 209 S N -1.045 114.843 115.700 0.313 0.000 2.597 209 S HA 0.185 4.655 4.470 -0.000 0.000 0.224 209 S C 0.574 175.311 174.600 0.230 0.000 0.955 209 S CA -0.273 58.092 58.200 0.276 0.000 0.933 209 S CB 0.008 63.383 63.200 0.291 0.000 0.788 209 S HN 0.465 nan 8.310 nan 0.000 0.488 210 Q N 2.263 122.222 119.800 0.265 0.000 2.373 210 Q HA 0.173 4.513 4.340 -0.000 0.000 0.255 210 Q C -1.628 174.418 176.000 0.077 0.000 0.980 210 Q CA -2.033 53.859 55.803 0.147 0.000 0.882 210 Q CB 0.167 28.972 28.738 0.111 0.000 1.249 210 Q HN 0.086 nan 8.270 nan 0.000 0.438 211 P HA -0.161 nan 4.420 nan 0.000 0.223 211 P C 1.226 178.467 177.300 -0.099 0.000 1.144 211 P CA 0.677 63.766 63.100 -0.018 0.000 0.783 211 P CB 0.258 31.946 31.700 -0.020 0.000 0.771 212 L N -1.011 120.063 121.223 -0.249 0.000 2.131 212 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 212 L C 1.487 178.075 176.870 -0.469 0.000 1.092 212 L CA 1.798 56.368 54.840 -0.450 0.000 0.759 212 L CB -1.184 40.432 42.059 -0.738 0.000 0.903 212 L HN -0.201 nan 8.230 nan 0.000 0.435 213 F N 0.063 120.028 119.950 0.026 0.000 2.639 213 F HA 0.245 4.772 4.527 -0.000 0.000 0.300 213 F C 0.872 176.681 175.800 0.015 0.000 1.109 213 F CA -1.037 56.978 58.000 0.026 0.000 1.335 213 F CB -0.990 38.031 39.000 0.035 0.000 1.014 213 F HN 0.181 nan 8.300 nan 0.000 0.537 214 E N -0.438 119.826 120.200 0.106 0.000 2.413 214 E HA 0.386 4.736 4.350 -0.000 0.000 0.263 214 E C 1.368 177.996 176.600 0.047 0.000 1.015 214 E CA 0.436 56.875 56.400 0.064 0.000 0.916 214 E CB 0.499 30.216 29.700 0.028 0.000 0.947 214 E HN 0.306 nan 8.360 nan 0.000 0.440 215 G N 2.728 111.541 108.800 0.021 0.000 2.179 215 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 215 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 215 G C 0.087 175.002 174.900 0.024 0.000 0.977 215 G CA 0.198 45.304 45.100 0.009 0.000 0.641 215 G HN 0.545 nan 8.290 nan 0.000 0.533 216 I N 0.871 121.467 120.570 0.043 0.000 2.312 216 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 216 I C 1.416 177.551 176.117 0.031 0.000 1.008 216 I CA -0.387 60.952 61.300 0.066 0.000 1.226 216 I CB 1.545 39.614 38.000 0.115 0.000 1.371 216 I HN 0.274 nan 8.210 nan 0.000 0.468 217 E N 5.600 125.830 120.200 0.049 0.000 2.077 217 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 217 E C -0.372 176.239 176.600 0.018 0.000 0.989 217 E CA 1.373 57.780 56.400 0.013 0.000 0.800 217 E CB 0.337 30.093 29.700 0.094 0.000 0.746 217 E HN 0.574 nan 8.360 nan 0.000 0.452 218 W N 0.027 121.360 121.300 0.055 0.000 2.683 218 W HA 0.495 5.154 4.660 -0.000 0.000 0.329 218 W C -1.057 175.440 176.519 -0.036 0.000 1.037 218 W CA -0.654 56.696 57.345 0.008 0.000 1.232 218 W CB 1.367 30.791 29.460 -0.061 0.000 1.390 218 W HN -0.105 nan 8.180 nan 0.000 0.465 219 I N 5.894 126.603 120.570 0.230 0.000 2.420 219 I HA 0.347 4.517 4.170 -0.000 0.000 0.282 219 I C -0.565 175.613 176.117 0.101 0.000 1.019 219 I CA -0.703 60.643 61.300 0.076 0.000 1.130 219 I CB 0.885 38.842 38.000 -0.072 0.000 1.262 219 I HN 0.214 nan 8.210 nan 0.000 0.454 220 I N 7.087 127.694 120.570 0.063 0.000 2.359 220 I HA 0.293 4.463 4.170 -0.000 0.000 0.284 220 I C -0.380 175.746 176.117 0.016 0.000 1.018 220 I CA -0.771 60.550 61.300 0.035 0.000 1.173 220 I CB 1.537 39.509 38.000 -0.047 0.000 1.326 220 I HN 0.181 nan 8.210 nan 0.000 0.462 221 V N 5.096 125.047 119.914 0.062 0.000 2.334 221 V HA 0.159 4.279 4.120 -0.000 0.000 0.267 221 V C 0.632 176.776 176.094 0.083 0.000 1.040 221 V CA -0.357 61.988 62.300 0.076 0.000 0.866 221 V CB 1.241 33.157 31.823 0.156 0.000 1.019 221 V HN 0.800 nan 8.190 nan 0.000 0.468 222 S N 5.354 121.080 115.700 0.043 0.000 2.533 222 S HA 0.353 4.823 4.470 -0.000 0.000 0.282 222 S C 0.335 174.966 174.600 0.051 0.000 1.304 222 S CA -0.349 57.873 58.200 0.037 0.000 1.063 222 S CB 0.213 63.423 63.200 0.017 0.000 0.881 222 S HN 0.621 nan 8.310 nan 0.000 0.493 223 L N 5.469 126.724 121.223 0.052 0.000 3.094 223 L HA 0.360 4.700 4.340 -0.000 0.000 0.254 223 L C 1.573 178.461 176.870 0.031 0.000 1.298 223 L CA -0.121 54.748 54.840 0.048 0.000 1.050 223 L CB -0.824 41.270 42.059 0.058 0.000 1.420 223 L HN 1.086 nan 8.230 nan 0.000 0.548 224 G N 1.547 110.361 108.800 0.024 0.000 2.620 224 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.315 224 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.315 224 G C 0.967 175.872 174.900 0.009 0.000 1.179 224 G CA 0.710 45.819 45.100 0.016 0.000 0.971 224 G HN 0.425 nan 8.290 nan 0.000 0.544 225 A N -0.992 121.832 122.820 0.008 0.000 2.072 225 A HA 0.330 4.650 4.320 -0.000 0.000 0.216 225 A C 2.165 179.749 177.584 0.001 0.000 1.156 225 A CA 2.044 54.082 52.037 0.002 0.000 0.701 225 A CB -0.105 18.896 19.000 0.002 0.000 0.816 225 A HN 0.634 nan 8.150 nan 0.000 0.458 226 Q N -0.834 118.970 119.800 0.008 0.000 2.472 226 Q HA 0.353 4.693 4.340 -0.000 0.000 0.208 226 Q C 1.206 177.213 176.000 0.012 0.000 0.958 226 Q CA 0.790 56.599 55.803 0.010 0.000 0.932 226 Q CB 0.137 28.885 28.738 0.017 0.000 1.007 226 Q HN 0.800 nan 8.270 nan 0.000 0.508 227 G N -0.260 108.544 108.800 0.008 0.000 2.715 227 G HA2 0.076 4.036 3.960 -0.000 0.000 0.221 227 G HA3 0.076 4.036 3.960 -0.000 0.000 0.221 227 G C -0.936 173.977 174.900 0.022 0.000 1.204 227 G CA -0.489 44.611 45.100 0.001 0.000 1.063 227 G HN 0.635 nan 8.290 nan 0.000 0.586 228 A N -1.044 121.801 122.820 0.043 0.000 2.594 228 A HA 0.872 5.192 4.320 -0.000 0.000 0.291 228 A C -1.457 176.235 177.584 0.180 0.000 1.105 228 A CA 0.290 52.378 52.037 0.084 0.000 0.694 228 A CB 1.726 20.741 19.000 0.026 0.000 1.291 228 A HN 2.162 nan 8.150 nan 0.000 0.410 229 F N 0.752 120.733 119.950 0.052 0.000 2.529 229 F HA 0.785 5.312 4.527 -0.000 0.000 0.320 229 F C -0.136 175.747 175.800 0.139 0.000 1.118 229 F CA -0.079 57.979 58.000 0.097 0.000 0.915 229 F CB 1.790 40.832 39.000 0.070 0.000 1.161 229 F HN 1.023 nan 8.300 nan 0.000 0.445 230 A N 5.630 128.142 122.820 -0.513 0.000 2.475 230 A HA 0.653 4.973 4.320 -0.000 0.000 0.301 230 A C -1.725 175.682 177.584 -0.294 0.000 1.059 230 A CA -0.952 50.965 52.037 -0.200 0.000 0.710 230 A CB 1.761 20.883 19.000 0.204 0.000 1.288 230 A HN 0.783 nan 8.150 nan 0.000 0.408 231 K N 1.314 121.636 120.400 -0.129 0.000 2.358 231 K HA 0.402 4.722 4.320 -0.000 0.000 0.260 231 K C -1.214 175.241 176.600 -0.241 0.000 0.956 231 K CA -0.362 55.768 56.287 -0.262 0.000 0.834 231 K CB 0.798 33.142 32.500 -0.260 0.000 1.102 231 K HN 0.927 nan 8.250 nan 0.000 0.431 232 H N 5.555 124.265 119.070 -0.600 0.000 2.551 232 H HA 0.153 4.709 4.556 -0.000 0.000 0.321 232 H C -0.032 174.900 175.328 -0.660 0.000 1.028 232 H CA -0.427 55.064 56.048 -0.929 0.000 1.215 232 H CB 0.585 29.513 29.762 -1.389 0.000 1.414 232 H HN 0.873 nan 8.280 nan 0.000 0.480 233 N N 2.469 120.762 118.700 -0.678 0.000 2.057 233 N HA -0.322 4.418 4.740 -0.000 0.000 0.158 233 N C 0.434 175.467 175.510 -0.794 0.000 0.489 233 N CA 2.098 54.725 53.050 -0.705 0.000 1.377 233 N CB -0.919 37.155 38.487 -0.688 0.000 1.348 233 N HN 0.778 nan 8.380 nan 0.000 0.413 234 H N 0.283 119.087 119.070 -0.443 0.000 2.893 234 H HA 0.299 4.855 4.556 -0.000 0.000 0.270 234 H C -0.124 174.814 175.328 -0.649 0.000 1.095 234 H CA 0.348 56.119 56.048 -0.462 0.000 1.186 234 H CB 0.552 30.153 29.762 -0.269 0.000 1.562 234 H HN 0.241 nan 8.280 nan 0.000 0.536 235 T N 1.463 115.663 114.554 -0.591 0.000 2.875 235 T HA 0.375 4.724 4.350 -0.000 0.000 0.284 235 T C -0.164 174.012 174.700 -0.873 0.000 0.995 235 T CA -0.259 61.470 62.100 -0.618 0.000 1.060 235 T CB 0.910 69.472 68.868 -0.509 0.000 0.967 235 T HN -0.062 nan 8.240 nan 0.000 0.476 236 F N 1.725 121.407 119.950 -0.447 0.000 2.469 236 F HA 0.562 5.088 4.527 -0.000 0.000 0.332 236 F C -0.384 175.079 175.800 -0.562 0.000 1.103 236 F CA -1.022 56.711 58.000 -0.444 0.000 0.979 236 F CB 1.279 40.173 39.000 -0.177 0.000 1.137 236 F HN 0.505 nan 8.300 nan 0.000 0.463 237 Y N 1.009 121.274 120.300 -0.059 0.000 2.446 237 Y HA 0.617 5.167 4.550 -0.000 0.000 0.345 237 Y C -0.262 175.619 175.900 -0.032 0.000 0.984 237 Y CA -1.184 56.901 58.100 -0.025 0.000 1.058 237 Y CB 1.982 40.429 38.460 -0.020 0.000 1.220 237 Y HN 0.418 nan 8.280 nan 0.000 0.455 238 R N 1.473 122.106 120.500 0.222 0.000 2.393 238 R HA 0.698 5.038 4.340 -0.000 0.000 0.310 238 R C -2.100 174.260 176.300 0.099 0.000 0.968 238 R CA -0.606 55.614 56.100 0.200 0.000 0.867 238 R CB 1.058 31.476 30.300 0.198 0.000 1.124 238 R HN 0.523 nan 8.270 nan 0.000 0.450 239 V N 5.876 125.827 119.914 0.062 0.000 2.313 239 V HA 0.404 4.524 4.120 -0.000 0.000 0.278 239 V C -0.510 175.573 176.094 -0.017 0.000 1.017 239 V CA -0.925 61.360 62.300 -0.026 0.000 0.823 239 V CB 1.170 32.951 31.823 -0.069 0.000 1.010 239 V HN 0.767 nan 8.190 nan 0.000 0.443 240 N N 5.199 123.880 118.700 -0.032 0.000 2.456 240 N HA 0.654 5.394 4.740 -0.000 0.000 0.288 240 N C -0.834 174.645 175.510 -0.051 0.000 1.059 240 N CA -0.312 52.724 53.050 -0.024 0.000 0.946 240 N CB 2.786 41.267 38.487 -0.010 0.000 1.150 240 N HN 0.505 nan 8.380 nan 0.000 0.479 241 I N 2.092 122.637 120.570 -0.042 0.000 2.647 241 I HA 0.305 4.475 4.170 -0.000 0.000 0.295 241 I C -2.005 174.089 176.117 -0.039 0.000 1.078 241 I CA -2.066 59.201 61.300 -0.055 0.000 1.048 241 I CB 2.652 40.618 38.000 -0.056 0.000 1.239 241 I HN 0.251 nan 8.210 nan 0.000 0.421 242 P HA 0.069 nan 4.420 nan 0.000 0.268 242 P C -0.625 176.663 177.300 -0.021 0.000 1.208 242 P CA -0.119 62.965 63.100 -0.028 0.000 0.777 242 P CB 0.217 31.898 31.700 -0.030 0.000 0.875 243 T N 2.717 117.264 114.554 -0.013 0.000 2.761 243 T HA 0.442 4.792 4.350 -0.000 0.000 0.296 243 T C 0.550 175.245 174.700 -0.007 0.000 0.934 243 T CA -0.016 62.079 62.100 -0.008 0.000 1.091 243 T CB -0.376 68.489 68.868 -0.005 0.000 0.896 243 T HN 0.309 nan 8.240 nan 0.000 0.515 244 I N -0.186 120.380 120.570 -0.006 0.000 3.002 244 I HA 0.715 4.885 4.170 -0.000 0.000 0.310 244 I C 0.109 176.227 176.117 0.002 0.000 1.087 244 I CA -1.388 59.911 61.300 -0.002 0.000 1.017 244 I CB 1.745 39.742 38.000 -0.005 0.000 1.226 244 I HN 0.458 nan 8.210 nan 0.000 0.443 245 S N 2.053 117.757 115.700 0.006 0.000 2.439 245 S HA 0.651 5.120 4.470 -0.000 0.000 0.282 245 S C -0.235 174.372 174.600 0.011 0.000 1.170 245 S CA -0.609 57.596 58.200 0.008 0.000 1.054 245 S CB 0.531 63.736 63.200 0.010 0.000 0.956 245 S HN 0.564 nan 8.310 nan 0.000 0.490 246 V N 6.071 125.991 119.914 0.010 0.000 2.461 246 V HA 0.210 4.330 4.120 -0.000 0.000 0.275 246 V C 0.991 177.094 176.094 0.016 0.000 1.047 246 V CA -0.352 61.956 62.300 0.013 0.000 0.955 246 V CB 0.669 32.498 31.823 0.011 0.000 0.988 246 V HN 0.979 nan 8.190 nan 0.000 0.471 247 L N 3.091 124.327 121.223 0.021 0.000 2.228 247 L HA 0.285 4.625 4.340 -0.000 0.000 0.196 247 L C 0.783 177.666 176.870 0.021 0.000 1.162 247 L CA 0.638 55.491 54.840 0.022 0.000 0.801 247 L CB 0.046 42.122 42.059 0.028 0.000 0.983 247 L HN 0.665 nan 8.230 nan 0.000 0.471 248 N N -0.148 118.568 118.700 0.027 0.000 2.540 248 N HA 0.203 4.943 4.740 -0.000 0.000 0.275 248 N C -2.275 173.254 175.510 0.031 0.000 1.053 248 N CA -1.926 51.140 53.050 0.027 0.000 0.876 248 N CB 1.860 40.364 38.487 0.029 0.000 1.284 248 N HN -0.133 nan 8.380 nan 0.000 0.518 249 P HA 0.034 nan 4.420 nan 0.000 0.245 249 P C -0.050 177.265 177.300 0.025 0.000 1.206 249 P CA 0.132 63.246 63.100 0.023 0.000 0.781 249 P CB 0.441 32.151 31.700 0.017 0.000 0.994 250 V N 1.111 121.041 119.914 0.027 0.000 2.540 250 V HA 0.298 4.418 4.120 -0.000 0.000 0.297 250 V C 1.818 177.932 176.094 0.035 0.000 1.024 250 V CA 1.749 64.066 62.300 0.028 0.000 1.105 250 V CB -0.425 31.414 31.823 0.027 0.000 0.938 250 V HN 0.509 nan 8.190 nan 0.000 0.482 251 G N 3.931 112.751 108.800 0.033 0.000 2.194 251 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 251 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 251 G C 1.061 175.980 174.900 0.030 0.000 0.987 251 G CA 0.444 45.566 45.100 0.036 0.000 0.635 251 G HN 0.670 nan 8.290 nan 0.000 0.520 252 S N 0.366 116.081 115.700 0.025 0.000 2.402 252 S HA 0.066 4.535 4.470 -0.000 0.000 0.229 252 S C 2.548 177.152 174.600 0.007 0.000 1.021 252 S CA 1.903 60.113 58.200 0.016 0.000 0.974 252 S CB -0.475 62.733 63.200 0.013 0.000 0.800 252 S HN 1.214 nan 8.310 nan 0.000 0.484 253 G N 2.115 110.921 108.800 0.009 0.000 2.446 253 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 253 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 253 G C 1.044 175.943 174.900 -0.001 0.000 1.168 253 G CA 1.102 46.204 45.100 0.002 0.000 0.771 253 G HN 0.408 nan 8.290 nan 0.000 0.551 254 D N 0.625 121.030 120.400 0.009 0.000 2.117 254 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 254 D C 2.829 179.130 176.300 0.001 0.000 0.987 254 D CA 1.178 55.183 54.000 0.009 0.000 0.829 254 D CB -0.321 40.493 40.800 0.023 0.000 0.961 254 D HN 0.250 nan 8.370 nan 0.000 0.460 255 S N -0.012 115.691 115.700 0.005 0.000 2.382 255 S HA -0.144 4.325 4.470 -0.000 0.000 0.228 255 S C 2.212 176.804 174.600 -0.013 0.000 1.027 255 S CA 1.716 59.916 58.200 0.001 0.000 0.991 255 S CB -0.350 62.855 63.200 0.009 0.000 0.823 255 S HN 0.545 nan 8.310 nan 0.000 0.469 256 T N 0.255 114.796 114.554 -0.022 0.000 2.904 256 T HA 0.012 4.361 4.350 -0.000 0.000 0.267 256 T C 1.751 176.412 174.700 -0.064 0.000 1.059 256 T CA 1.021 63.094 62.100 -0.045 0.000 1.137 256 T CB -0.579 68.256 68.868 -0.055 0.000 0.879 256 T HN 0.152 nan 8.240 nan 0.000 0.467 257 V N 2.325 122.208 119.914 -0.052 0.000 2.295 257 V HA -0.079 4.041 4.120 -0.000 0.000 0.246 257 V C 3.322 179.379 176.094 -0.063 0.000 1.049 257 V CA 1.726 63.990 62.300 -0.061 0.000 1.024 257 V CB -1.552 30.246 31.823 -0.041 0.000 0.648 257 V HN 0.706 nan 8.190 nan 0.000 0.447 258 A N 0.536 123.330 122.820 -0.043 0.000 1.917 258 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 258 A C 2.425 179.976 177.584 -0.055 0.000 1.182 258 A CA 2.199 54.209 52.037 -0.044 0.000 0.633 258 A CB -1.308 17.675 19.000 -0.029 0.000 0.819 258 A HN 0.545 nan 8.150 nan 0.000 0.448 259 G N -0.106 108.665 108.800 -0.047 0.000 2.421 259 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 259 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 259 G C 1.539 176.382 174.900 -0.094 0.000 1.171 259 G CA 1.113 46.188 45.100 -0.042 0.000 0.775 259 G HN 0.489 nan 8.290 nan 0.000 0.543 260 I N 0.866 121.352 120.570 -0.139 0.000 2.179 260 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 260 I C 2.981 178.989 176.117 -0.182 0.000 1.088 260 I CA 1.568 62.739 61.300 -0.215 0.000 1.357 260 I CB -0.493 37.363 38.000 -0.240 0.000 1.051 260 I HN 0.108 nan 8.210 nan 0.000 0.409 261 T N -0.535 113.939 114.554 -0.133 0.000 2.777 261 T HA -0.178 4.171 4.350 -0.000 0.000 0.266 261 T C 2.093 176.719 174.700 -0.123 0.000 1.040 261 T CA 1.681 63.711 62.100 -0.118 0.000 1.141 261 T CB -0.251 68.562 68.868 -0.092 0.000 0.868 261 T HN 0.343 nan 8.240 nan 0.000 0.444 262 S N 1.254 116.889 115.700 -0.108 0.000 2.359 262 S HA -0.104 4.366 4.470 -0.000 0.000 0.224 262 S C 2.404 176.943 174.600 -0.103 0.000 1.035 262 S CA 1.412 59.551 58.200 -0.102 0.000 1.018 262 S CB -0.571 62.582 63.200 -0.079 0.000 0.876 262 S HN 0.510 nan 8.310 nan 0.000 0.448 263 A N 1.730 124.489 122.820 -0.102 0.000 1.933 263 A HA 0.029 4.349 4.320 -0.000 0.000 0.218 263 A C 2.138 179.651 177.584 -0.118 0.000 1.175 263 A CA 1.437 53.416 52.037 -0.097 0.000 0.628 263 A CB -0.653 18.274 19.000 -0.121 0.000 0.814 263 A HN 0.577 nan 8.150 nan 0.000 0.444 264 I N -0.587 119.894 120.570 -0.148 0.000 2.179 264 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 264 I C 2.451 178.424 176.117 -0.239 0.000 1.088 264 I CA 1.263 62.477 61.300 -0.142 0.000 1.357 264 I CB -1.303 36.629 38.000 -0.115 0.000 1.051 264 I HN 0.386 nan 8.210 nan 0.000 0.409 265 L N 1.345 122.433 121.223 -0.224 0.000 2.079 265 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 265 L C 1.796 178.488 176.870 -0.296 0.000 1.081 265 L CA 1.906 56.581 54.840 -0.275 0.000 0.752 265 L CB -0.609 41.295 42.059 -0.258 0.000 0.896 265 L HN 0.257 nan 8.230 nan 0.000 0.433 266 N N -1.055 117.532 118.700 -0.188 0.000 2.322 266 N HA -0.022 4.718 4.740 -0.000 0.000 0.194 266 N C -0.333 175.168 175.510 -0.015 0.000 1.126 266 N CA 0.291 53.308 53.050 -0.055 0.000 0.845 266 N CB -0.096 38.395 38.487 0.007 0.000 0.976 266 N HN 0.472 nan 8.380 nan 0.000 0.475 267 H N 0.060 119.161 119.070 0.053 0.000 2.741 267 H HA -0.143 4.413 4.556 -0.000 0.000 0.305 267 H C -0.274 175.088 175.328 0.057 0.000 1.169 267 H CA 0.664 56.747 56.048 0.058 0.000 1.144 267 H CB -2.096 27.701 29.762 0.058 0.000 1.397 267 H HN 0.464 nan 8.280 nan 0.000 0.409 268 E N 1.355 121.613 120.200 0.096 0.000 2.415 268 E HA 0.053 4.403 4.350 -0.000 0.000 0.262 268 E C 1.066 177.734 176.600 0.114 0.000 1.038 268 E CA -0.024 56.429 56.400 0.088 0.000 0.921 268 E CB 0.548 30.278 29.700 0.049 0.000 0.950 268 E HN 0.535 nan 8.360 nan 0.000 0.438 269 N N 1.538 120.308 118.700 0.117 0.000 2.294 269 N HA -0.052 4.688 4.740 -0.000 0.000 0.248 269 N C 0.062 175.663 175.510 0.152 0.000 1.300 269 N CA -0.195 52.938 53.050 0.139 0.000 0.925 269 N CB 0.443 38.994 38.487 0.107 0.000 1.188 269 N HN 0.250 nan 8.380 nan 0.000 0.512 270 D N -1.334 119.188 120.400 0.204 0.000 2.097 270 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 270 D C 1.545 177.860 176.300 0.026 0.000 0.989 270 D CA 1.463 55.592 54.000 0.216 0.000 0.827 270 D CB -0.436 40.501 40.800 0.228 0.000 0.966 270 D HN 0.577 nan 8.370 nan 0.000 0.456 271 H N 0.126 119.120 119.070 -0.127 0.000 2.321 271 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 271 H C 1.355 176.618 175.328 -0.108 0.000 1.087 271 H CA 1.068 57.025 56.048 -0.152 0.000 1.319 271 H CB 0.273 29.997 29.762 -0.064 0.000 1.379 271 H HN 0.101 nan 8.280 nan 0.000 0.501 272 D N 0.779 121.259 120.400 0.134 0.000 2.178 272 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 272 D C 2.303 178.648 176.300 0.074 0.000 0.974 272 D CA 0.360 54.465 54.000 0.175 0.000 0.841 272 D CB -0.223 40.696 40.800 0.200 0.000 0.953 272 D HN 0.295 nan 8.370 nan 0.000 0.478 273 L N 0.151 121.349 121.223 -0.042 0.000 2.027 273 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 273 L C 2.230 178.945 176.870 -0.259 0.000 1.074 273 L CA 0.987 55.721 54.840 -0.178 0.000 0.745 273 L CB -0.116 41.742 42.059 -0.333 0.000 0.898 273 L HN -0.025 nan 8.230 nan 0.000 0.433 274 L N -0.359 120.678 121.223 -0.310 0.000 2.141 274 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 274 L C 2.581 179.284 176.870 -0.277 0.000 1.094 274 L CA 1.242 55.888 54.840 -0.324 0.000 0.763 274 L CB -0.394 41.464 42.059 -0.335 0.000 0.908 274 L HN 0.223 nan 8.230 nan 0.000 0.437 275 K N -0.052 120.162 120.400 -0.311 0.000 2.103 275 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 275 K C 2.142 178.571 176.600 -0.286 0.000 1.052 275 K CA 0.947 56.935 56.287 -0.499 0.000 0.945 275 K CB -0.001 31.877 32.500 -1.037 0.000 0.722 275 K HN 0.144 nan 8.250 nan 0.000 0.443 276 K N 1.090 121.508 120.400 0.031 0.000 2.025 276 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 276 K C 2.158 178.796 176.600 0.065 0.000 1.049 276 K CA 1.241 57.666 56.287 0.231 0.000 0.933 276 K CB -0.123 32.528 32.500 0.251 0.000 0.714 276 K HN 0.093 nan 8.250 nan 0.000 0.438 277 A N 1.919 124.706 122.820 -0.055 0.000 1.873 277 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 277 A C 1.897 179.434 177.584 -0.078 0.000 1.193 277 A CA 1.999 53.981 52.037 -0.091 0.000 0.629 277 A CB -0.823 18.072 19.000 -0.174 0.000 0.826 277 A HN 0.459 nan 8.150 nan 0.000 0.447 278 N N -0.961 117.669 118.700 -0.116 0.000 2.270 278 N HA -0.092 4.648 4.740 -0.000 0.000 0.181 278 N C 1.701 177.151 175.510 -0.100 0.000 1.016 278 N CA 1.672 54.656 53.050 -0.110 0.000 0.870 278 N CB -0.317 38.086 38.487 -0.139 0.000 0.979 278 N HN 0.510 nan 8.380 nan 0.000 0.431 279 T N 2.307 116.787 114.554 -0.123 0.000 2.708 279 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 279 T C 2.193 176.872 174.700 -0.034 0.000 1.037 279 T CA 0.702 62.720 62.100 -0.136 0.000 1.146 279 T CB -0.227 68.465 68.868 -0.294 0.000 0.865 279 T HN 0.140 nan 8.240 nan 0.000 0.435 280 L N 0.670 121.919 121.223 0.044 0.000 2.083 280 L HA 0.050 4.390 4.340 -0.000 0.000 0.209 280 L C 1.991 178.872 176.870 0.018 0.000 1.083 280 L CA 0.595 55.474 54.840 0.065 0.000 0.752 280 L CB -1.295 40.809 42.059 0.075 0.000 0.899 280 L HN 0.287 nan 8.230 nan 0.000 0.433 284 N N 1.541 120.259 118.700 0.031 0.000 2.216 284 N HA -0.057 4.683 4.740 -0.000 0.000 0.183 284 N C 1.659 177.202 175.510 0.054 0.000 1.017 284 N CA 1.641 54.721 53.050 0.051 0.000 0.861 284 N CB 0.147 38.660 38.487 0.044 0.000 0.986 284 N HN 0.372 nan 8.380 nan 0.000 0.428 285 A N -0.039 122.802 122.820 0.035 0.000 2.067 285 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 285 A C 1.907 179.511 177.584 0.033 0.000 1.158 285 A CA 0.931 52.986 52.037 0.030 0.000 0.661 285 A CB -0.392 18.619 19.000 0.017 0.000 0.801 285 A HN 0.481 nan 8.150 nan 0.000 0.452 286 Q N -0.230 119.593 119.800 0.038 0.000 2.435 286 Q HA 0.016 4.356 4.340 -0.000 0.000 0.207 286 Q C -0.283 175.753 176.000 0.059 0.000 0.956 286 Q CA 0.391 56.218 55.803 0.041 0.000 0.917 286 Q CB 0.232 28.993 28.738 0.038 0.000 0.997 286 Q HN 0.556 nan 8.270 nan 0.000 0.497 287 E N -0.633 119.615 120.200 0.079 0.000 2.191 287 E HA 0.286 4.636 4.350 -0.000 0.000 0.274 287 E C 0.025 176.670 176.600 0.075 0.000 0.948 287 E CA -0.201 56.264 56.400 0.109 0.000 0.802 287 E CB 1.704 31.528 29.700 0.207 0.000 1.137 287 E HN 0.039 nan 8.360 nan 0.000 0.397 288 A N 3.202 126.053 122.820 0.052 0.000 1.929 288 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 288 A C 0.991 178.586 177.584 0.019 0.000 1.176 288 A CA 1.000 53.052 52.037 0.026 0.000 0.628 288 A CB -0.119 18.886 19.000 0.008 0.000 0.816 288 A HN 0.591 nan 8.150 nan 0.000 0.444 289 Q N -0.280 119.525 119.800 0.008 0.000 2.454 289 Q HA 0.352 4.692 4.340 -0.000 0.000 0.247 289 Q C 0.173 176.213 176.000 0.067 0.000 1.028 289 Q CA 0.533 56.334 55.803 -0.004 0.000 0.910 289 Q CB 0.509 29.176 28.738 -0.119 0.000 1.276 289 Q HN 0.338 nan 8.270 nan 0.000 0.489 290 T N -0.534 114.056 114.554 0.059 0.000 2.771 290 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 290 T C 0.395 175.152 174.700 0.095 0.000 0.982 290 T CA 0.194 62.337 62.100 0.072 0.000 0.978 290 T CB 0.422 69.318 68.868 0.046 0.000 0.930 290 T HN 0.871 nan 8.240 nan 0.000 0.447 291 G N 3.110 111.972 108.800 0.102 0.000 2.291 291 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.271 291 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.271 291 G C -0.527 174.474 174.900 0.169 0.000 1.099 291 G CA 0.300 45.462 45.100 0.103 0.000 0.919 291 G HN 1.096 nan 8.290 nan 0.000 0.496 292 Y N -1.098 119.215 120.300 0.021 0.000 2.534 292 Y HA 0.652 5.202 4.550 -0.000 0.000 0.345 292 Y C -0.998 174.918 175.900 0.027 0.000 1.031 292 Y CA -1.148 56.965 58.100 0.022 0.000 1.022 292 Y CB 2.381 40.853 38.460 0.021 0.000 1.292 292 Y HN 0.496 nan 8.280 nan 0.000 0.459 293 V N 5.548 125.048 119.914 -0.691 0.000 2.668 293 V HA 0.341 4.461 4.120 -0.000 0.000 0.304 293 V C -1.418 174.405 176.094 -0.450 0.000 1.071 293 V CA -0.801 61.280 62.300 -0.366 0.000 0.894 293 V CB 1.890 33.599 31.823 -0.189 0.000 1.008 293 V HN 0.780 nan 8.190 nan 0.000 0.425 294 N N 5.428 124.028 118.700 -0.168 0.000 2.558 294 N HA 0.325 5.065 4.740 -0.000 0.000 0.233 294 N C 0.788 176.287 175.510 -0.017 0.000 1.038 294 N CA -0.212 52.792 53.050 -0.077 0.000 0.934 294 N CB 0.891 39.395 38.487 0.029 0.000 1.175 294 N HN 0.697 nan 8.380 nan 0.000 0.512 295 L N 1.664 122.862 121.223 -0.042 0.000 2.549 295 L HA -0.041 4.299 4.340 -0.000 0.000 0.229 295 L C 1.339 178.235 176.870 0.044 0.000 1.158 295 L CA 0.311 55.155 54.840 0.006 0.000 0.842 295 L CB -0.194 41.815 42.059 -0.084 0.000 0.952 295 L HN 0.444 nan 8.230 nan 0.000 0.452 296 N N 0.556 119.274 118.700 0.029 0.000 2.309 296 N HA -0.122 4.618 4.740 -0.000 0.000 0.182 296 N C 1.163 176.708 175.510 0.058 0.000 1.018 296 N CA 0.948 54.020 53.050 0.037 0.000 0.876 296 N CB -0.139 38.365 38.487 0.028 0.000 0.972 296 N HN 0.383 nan 8.380 nan 0.000 0.434 297 N N -0.295 118.446 118.700 0.069 0.000 2.280 297 N HA -0.020 4.720 4.740 -0.000 0.000 0.192 297 N C 1.182 176.747 175.510 0.091 0.000 1.109 297 N CA -0.138 52.951 53.050 0.066 0.000 0.855 297 N CB -0.186 38.328 38.487 0.045 0.000 0.974 297 N HN 0.337 nan 8.380 nan 0.000 0.482 298 Y N 2.077 122.379 120.300 0.004 0.000 2.049 298 Y HA -0.255 4.295 4.550 -0.000 0.000 0.277 298 Y C 1.577 177.510 175.900 0.055 0.000 1.143 298 Y CA 1.871 59.984 58.100 0.022 0.000 1.115 298 Y CB -0.131 38.321 38.460 -0.014 0.000 0.975 298 Y HN -0.031 nan 8.280 nan 0.000 0.487 299 D N 0.178 120.719 120.400 0.235 0.000 2.158 299 D HA -0.197 4.443 4.640 -0.000 0.000 0.197 299 D C 1.697 178.038 176.300 0.069 0.000 0.995 299 D CA 1.758 55.835 54.000 0.127 0.000 0.846 299 D CB -0.386 40.471 40.800 0.095 0.000 0.941 299 D HN 0.498 nan 8.370 nan 0.000 0.456 300 D N -0.241 120.188 120.400 0.048 0.000 2.149 300 D HA -0.027 4.613 4.640 -0.000 0.000 0.201 300 D C 2.359 178.665 176.300 0.010 0.000 0.972 300 D CA 0.243 54.261 54.000 0.031 0.000 0.835 300 D CB -0.130 40.685 40.800 0.026 0.000 0.966 300 D HN 0.239 nan 8.370 nan 0.000 0.476 301 L N -0.365 120.844 121.223 -0.023 0.000 2.095 301 L HA -0.059 4.281 4.340 -0.000 0.000 0.204 301 L C 2.320 179.141 176.870 -0.082 0.000 1.080 301 L CA 0.476 55.278 54.840 -0.062 0.000 0.759 301 L CB -0.279 41.724 42.059 -0.093 0.000 0.914 301 L HN -0.044 nan 8.230 nan 0.000 0.439 302 F N 1.362 121.137 119.950 -0.291 0.000 2.095 302 F HA -0.291 4.236 4.527 -0.000 0.000 0.298 302 F C 2.084 177.797 175.800 -0.145 0.000 1.104 302 F CA 2.073 59.891 58.000 -0.304 0.000 1.232 302 F CB -0.285 38.448 39.000 -0.445 0.000 0.987 302 F HN 0.142 nan 8.300 nan 0.000 0.475 303 N N -0.546 118.278 118.700 0.206 0.000 2.520 303 N HA -0.163 4.577 4.740 -0.000 0.000 0.185 303 N C 1.459 176.983 175.510 0.023 0.000 1.068 303 N CA 0.790 53.926 53.050 0.144 0.000 0.911 303 N CB -0.112 38.450 38.487 0.125 0.000 0.961 303 N HN 0.549 nan 8.380 nan 0.000 0.446 304 Q N 0.300 120.084 119.800 -0.027 0.000 2.302 304 Q HA 0.146 4.486 4.340 -0.000 0.000 0.202 304 Q C 0.211 176.162 176.000 -0.083 0.000 0.936 304 Q CA 0.212 55.989 55.803 -0.043 0.000 0.886 304 Q CB 0.480 29.195 28.738 -0.038 0.000 0.986 304 Q HN 0.365 nan 8.270 nan 0.000 0.487 305 I N 2.382 122.859 120.570 -0.156 0.000 2.710 305 I HA -0.074 4.096 4.170 -0.000 0.000 0.286 305 I C 0.243 176.263 176.117 -0.163 0.000 1.181 305 I CA 0.605 61.791 61.300 -0.191 0.000 1.430 305 I CB 0.370 38.183 38.000 -0.311 0.000 1.367 305 I HN 0.039 nan 8.210 nan 0.000 0.577 306 E N 5.836 125.965 120.200 -0.118 0.000 2.171 306 E HA 0.471 4.821 4.350 -0.000 0.000 0.271 306 E C -1.171 175.352 176.600 -0.127 0.000 0.916 306 E CA -0.749 55.596 56.400 -0.091 0.000 0.774 306 E CB 2.698 32.378 29.700 -0.034 0.000 1.128 306 E HN 0.248 nan 8.360 nan 0.000 0.403 307 V N 4.222 124.021 119.914 -0.192 0.000 2.417 307 V HA 0.379 4.499 4.120 -0.000 0.000 0.291 307 V C -0.248 175.759 176.094 -0.146 0.000 1.024 307 V CA -0.679 61.438 62.300 -0.304 0.000 0.861 307 V CB 1.422 32.769 31.823 -0.793 0.000 0.985 307 V HN 0.537 nan 8.190 nan 0.000 0.436 308 L N 3.802 125.041 121.223 0.027 0.000 2.356 308 L HA 0.556 4.896 4.340 -0.000 0.000 0.277 308 L C 0.158 177.160 176.870 0.219 0.000 0.996 308 L CA -0.424 54.495 54.840 0.131 0.000 0.822 308 L CB 1.974 44.091 42.059 0.097 0.000 1.256 308 L HN 0.794 nan 8.230 nan 0.000 0.413 309 E N 4.259 124.596 120.200 0.229 0.000 2.257 309 E HA 0.385 4.735 4.350 -0.000 0.000 0.278 309 E C -0.893 175.754 176.600 0.079 0.000 1.049 309 E CA -0.551 55.905 56.400 0.093 0.000 0.876 309 E CB 1.060 30.787 29.700 0.045 0.000 1.035 309 E HN 0.438 nan 8.360 nan 0.000 0.419 310 V N 0.000 119.965 119.914 0.085 0.000 2.409 310 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 310 V CA 0.000 62.367 62.300 0.113 0.000 1.235 310 V CB 0.000 31.913 31.823 0.149 0.000 1.184 310 V HN 0.000 nan 8.190 nan 0.000 0.556