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 2qk4_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMAARVLIIG SGGREHTLAW KLAQSHHVKQ VLVAPGNAGT ACSEKISNTA DATA SEQUENCE ISISDHTALA QFCKEKKIEF VVVGPEAPLA AGIVGNLRSA GVQCFGPTAE DATA SEQUENCE AAQLESSKRF AKEFMDRHGI PTAQWKAFTK PEEACSFILS ADFPALVVKA DATA SEQUENCE SGLXXXKGVI VAKSKEEACK AVQEIMQEXX XXXXXETIVI EELLDGEEVS DATA SEQUENCE CLCFTDGKTV APMPPAQDHK RLLEGDGGPN TGGMGAYCPA PQVSNDLLLK DATA SEQUENCE IKDTVLQRTV DGMQQEGTPY TGILYAGIML TKNGPKVLEF NCRFGDPECQ DATA SEQUENCE VILPLLKSDL YEVIQSTLDG LLCTSLPVWL ENHTALTVVM ASKGYPGDYT DATA SEQUENCE KGVEITGFPE AQALGLEVFH AGTALKNGKV VTHGGRVLAV TAIRENLISA DATA SEQUENCE LEEAKKGLAA IKFEGAIYRK DIGFRAIAFL 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.691 174.600 0.152 0.000 1.055 0 S CA 0.000 58.312 58.200 0.187 0.000 1.107 0 S CB 0.000 63.314 63.200 0.190 0.000 0.593 1 M N 1.998 121.626 119.600 0.047 0.000 2.157 1 M HA 0.518 4.998 4.480 -0.000 0.000 0.304 1 M C 1.467 177.736 176.300 -0.053 0.000 1.171 1 M CA 0.847 56.124 55.300 -0.038 0.000 1.157 1 M CB -0.945 31.616 32.600 -0.064 0.000 1.403 1 M HN 1.311 nan 8.290 nan 0.000 0.473 2 A N -0.240 122.530 122.820 -0.083 0.000 2.822 2 A HA -0.014 4.306 4.320 -0.000 0.000 0.287 2 A C 0.495 178.028 177.584 -0.084 0.000 1.479 2 A CA 0.722 52.712 52.037 -0.078 0.000 0.779 2 A CB -2.221 16.747 19.000 -0.054 0.000 1.022 2 A HN 1.271 nan 8.150 nan 0.000 0.532 3 A N -0.147 122.598 122.820 -0.125 0.000 2.371 3 A HA 0.655 4.975 4.320 -0.000 0.000 0.257 3 A C 0.662 178.169 177.584 -0.127 0.000 1.089 3 A CA -0.018 51.951 52.037 -0.114 0.000 0.794 3 A CB 0.276 19.201 19.000 -0.125 0.000 1.029 3 A HN 0.742 nan 8.150 nan 0.000 0.488 4 R N 0.994 121.425 120.500 -0.115 0.000 2.445 4 R HA 0.626 4.966 4.340 -0.000 0.000 0.308 4 R C -1.392 174.806 176.300 -0.171 0.000 0.961 4 R CA -0.628 55.402 56.100 -0.117 0.000 0.862 4 R CB 1.923 32.169 30.300 -0.089 0.000 1.144 4 R HN 0.411 nan 8.270 nan 0.000 0.447 5 V N 3.564 123.378 119.914 -0.166 0.000 2.823 5 V HA 0.455 4.575 4.120 -0.000 0.000 0.312 5 V C -1.079 174.975 176.094 -0.068 0.000 1.072 5 V CA -0.984 61.167 62.300 -0.249 0.000 0.937 5 V CB 2.358 33.989 31.823 -0.321 0.000 1.013 5 V HN 0.525 nan 8.190 nan 0.000 0.430 6 L N 4.949 126.167 121.223 -0.009 0.000 2.356 6 L HA 0.702 5.042 4.340 -0.000 0.000 0.277 6 L C -0.923 176.014 176.870 0.111 0.000 0.996 6 L CA 0.153 55.043 54.840 0.083 0.000 0.822 6 L CB 1.442 43.586 42.059 0.141 0.000 1.256 6 L HN 0.554 nan 8.230 nan 0.000 0.413 7 I N 5.791 126.421 120.570 0.101 0.000 2.377 7 I HA 0.384 4.553 4.170 -0.000 0.000 0.293 7 I C -0.497 175.670 176.117 0.084 0.000 0.987 7 I CA -0.662 60.706 61.300 0.114 0.000 1.185 7 I CB 1.596 39.664 38.000 0.113 0.000 1.341 7 I HN 0.395 nan 8.210 nan 0.000 0.455 8 I N 5.350 125.973 120.570 0.089 0.000 2.325 8 I HA 0.648 4.818 4.170 -0.000 0.000 0.291 8 I C 0.716 176.870 176.117 0.061 0.000 1.019 8 I CA 0.198 61.535 61.300 0.061 0.000 1.302 8 I CB 0.025 38.062 38.000 0.063 0.000 1.401 8 I HN 0.856 nan 8.210 nan 0.000 0.485 9 G N 4.582 113.408 108.800 0.043 0.000 2.361 9 G HA2 0.149 4.109 3.960 -0.000 0.000 0.331 9 G HA3 0.149 4.109 3.960 -0.000 0.000 0.331 9 G C -0.466 174.455 174.900 0.036 0.000 1.324 9 G CA -0.038 45.087 45.100 0.042 0.000 0.984 9 G HN 0.726 nan 8.290 nan 0.000 0.586 10 S N -1.399 114.322 115.700 0.036 0.000 3.067 10 S HA 0.619 5.088 4.470 -0.000 0.000 0.253 10 S C 0.806 175.428 174.600 0.037 0.000 0.942 10 S CA 0.930 59.151 58.200 0.034 0.000 1.197 10 S CB 0.359 63.582 63.200 0.038 0.000 1.143 10 S HN 2.054 nan 8.310 nan 0.000 0.638 11 G N 0.658 109.482 108.800 0.039 0.000 2.938 11 G HA2 0.583 4.543 3.960 -0.000 0.000 0.258 11 G HA3 0.583 4.543 3.960 -0.000 0.000 0.258 11 G C 0.905 175.844 174.900 0.066 0.000 1.356 11 G CA -0.209 44.913 45.100 0.038 0.000 1.052 11 G HN 0.347 nan 8.290 nan 0.000 0.550 12 G N -0.818 108.015 108.800 0.055 0.000 2.422 12 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.218 12 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.218 12 G C 1.683 176.562 174.900 -0.035 0.000 1.146 12 G CA 1.173 46.313 45.100 0.066 0.000 0.769 12 G HN 0.585 nan 8.290 nan 0.000 0.547 13 R N 0.516 120.990 120.500 -0.042 0.000 2.083 13 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 13 R C 2.391 178.668 176.300 -0.039 0.000 1.137 13 R CA 1.965 58.017 56.100 -0.079 0.000 0.951 13 R CB -0.235 30.064 30.300 -0.000 0.000 0.851 13 R HN 0.313 nan 8.270 nan 0.000 0.434 14 E N -0.787 119.435 120.200 0.037 0.000 2.106 14 E HA -0.180 4.169 4.350 -0.000 0.000 0.192 14 E C 1.790 178.468 176.600 0.129 0.000 0.984 14 E CA 1.534 57.980 56.400 0.077 0.000 0.806 14 E CB -0.371 29.373 29.700 0.074 0.000 0.750 14 E HN 0.569 nan 8.360 nan 0.000 0.458 15 H N -0.294 118.785 119.070 0.014 0.000 2.319 15 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 15 H C 1.557 176.914 175.328 0.050 0.000 1.092 15 H CA 1.702 57.789 56.048 0.066 0.000 1.302 15 H CB 0.255 30.093 29.762 0.126 0.000 1.373 15 H HN 0.123 nan 8.280 nan 0.000 0.497 16 T N 1.073 115.540 114.554 -0.144 0.000 2.684 16 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 16 T C 2.190 176.918 174.700 0.047 0.000 1.036 16 T CA 1.388 63.232 62.100 -0.427 0.000 1.148 16 T CB -0.314 68.028 68.868 -0.875 0.000 0.863 16 T HN 0.241 nan 8.240 nan 0.000 0.436 17 L N 0.673 121.909 121.223 0.022 0.000 2.079 17 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 17 L C 2.983 179.954 176.870 0.169 0.000 1.081 17 L CA 1.242 56.140 54.840 0.097 0.000 0.752 17 L CB -0.631 41.493 42.059 0.108 0.000 0.896 17 L HN 0.254 nan 8.230 nan 0.000 0.433 18 A N -0.606 122.341 122.820 0.212 0.000 1.872 18 A HA -0.256 4.064 4.320 -0.000 0.000 0.214 18 A C 1.995 179.738 177.584 0.265 0.000 1.187 18 A CA 1.296 53.458 52.037 0.209 0.000 0.614 18 A CB -1.112 18.004 19.000 0.193 0.000 0.826 18 A HN 0.610 nan 8.150 nan 0.000 0.442 19 W N 1.313 122.713 121.300 0.166 0.000 2.318 19 W HA -0.277 4.383 4.660 -0.000 0.000 0.313 19 W C 2.028 178.603 176.519 0.092 0.000 1.221 19 W CA 2.660 60.103 57.345 0.164 0.000 1.266 19 W CB -0.052 29.558 29.460 0.250 0.000 1.150 19 W HN 0.239 nan 8.180 nan 0.000 0.496 20 K N 0.462 120.923 120.400 0.102 0.000 2.025 20 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 20 K C 2.086 178.579 176.600 -0.178 0.000 1.049 20 K CA 2.163 58.292 56.287 -0.263 0.000 0.933 20 K CB -0.995 31.511 32.500 0.011 0.000 0.714 20 K HN 0.353 nan 8.250 nan 0.000 0.438 21 L N 0.380 121.593 121.223 -0.018 0.000 2.079 21 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 21 L C 2.360 179.200 176.870 -0.051 0.000 1.081 21 L CA 1.393 56.242 54.840 0.015 0.000 0.752 21 L CB -0.621 41.491 42.059 0.088 0.000 0.896 21 L HN 0.292 nan 8.230 nan 0.000 0.433 22 A N -0.927 121.852 122.820 -0.069 0.000 2.125 22 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 22 A C 2.158 179.630 177.584 -0.187 0.000 1.156 22 A CA 1.299 53.278 52.037 -0.098 0.000 0.671 22 A CB -0.351 18.623 19.000 -0.042 0.000 0.794 22 A HN 0.527 nan 8.150 nan 0.000 0.459 23 Q N -0.329 119.314 119.800 -0.260 0.000 2.331 23 Q HA 0.032 4.372 4.340 -0.000 0.000 0.203 23 Q C 0.966 176.776 176.000 -0.316 0.000 0.944 23 Q CA 0.394 56.002 55.803 -0.325 0.000 0.892 23 Q CB 0.043 28.542 28.738 -0.399 0.000 0.983 23 Q HN 0.562 nan 8.270 nan 0.000 0.482 24 S N 0.017 115.595 115.700 -0.204 0.000 2.549 24 S HA -0.045 4.425 4.470 -0.000 0.000 0.283 24 S C 0.838 175.298 174.600 -0.232 0.000 1.320 24 S CA -0.455 57.670 58.200 -0.125 0.000 1.058 24 S CB 0.499 63.700 63.200 0.002 0.000 0.882 24 S HN 0.315 nan 8.310 nan 0.000 0.498 25 H N 3.862 122.836 119.070 -0.160 0.000 2.524 25 H HA -0.023 4.533 4.556 -0.000 0.000 0.282 25 H C 1.237 176.367 175.328 -0.331 0.000 1.016 25 H CA 1.189 57.089 56.048 -0.246 0.000 1.270 25 H CB -0.041 29.552 29.762 -0.282 0.000 1.394 25 H HN 0.757 nan 8.280 nan 0.000 0.568 26 H N 0.051 119.022 119.070 -0.164 0.000 2.546 26 H HA 0.058 4.614 4.556 -0.000 0.000 0.277 26 H C 0.362 175.425 175.328 -0.441 0.000 1.004 26 H CA 0.260 56.095 56.048 -0.355 0.000 1.231 26 H CB 0.506 29.868 29.762 -0.666 0.000 1.382 26 H HN 0.012 nan 8.280 nan 0.000 0.580 27 V N 2.868 122.633 119.914 -0.248 0.000 2.384 27 V HA 0.041 4.161 4.120 -0.000 0.000 0.287 27 V C 1.088 177.092 176.094 -0.151 0.000 1.020 27 V CA -0.487 61.673 62.300 -0.234 0.000 0.850 27 V CB 1.960 33.668 31.823 -0.192 0.000 0.987 27 V HN 0.369 nan 8.190 nan 0.000 0.436 28 K N 3.543 123.867 120.400 -0.126 0.000 2.284 28 K HA 0.212 4.532 4.320 -0.000 0.000 0.198 28 K C 0.595 177.151 176.600 -0.074 0.000 1.048 28 K CA 0.239 56.472 56.287 -0.090 0.000 0.987 28 K CB 0.847 33.302 32.500 -0.075 0.000 0.800 28 K HN 0.570 nan 8.250 nan 0.000 0.486 29 Q N 1.088 120.843 119.800 -0.075 0.000 2.284 29 Q HA 0.318 4.657 4.340 -0.000 0.000 0.269 29 Q C -1.975 173.998 176.000 -0.045 0.000 1.026 29 Q CA -0.755 55.018 55.803 -0.051 0.000 0.831 29 Q CB 2.651 31.362 28.738 -0.046 0.000 1.322 29 Q HN 0.061 nan 8.270 nan 0.000 0.419 30 V N 4.911 124.814 119.914 -0.018 0.000 2.448 30 V HA 0.513 4.632 4.120 -0.000 0.000 0.295 30 V C -0.374 175.734 176.094 0.023 0.000 1.025 30 V CA -0.634 61.668 62.300 0.003 0.000 0.859 30 V CB 1.574 33.412 31.823 0.025 0.000 0.988 30 V HN 0.720 nan 8.190 nan 0.000 0.431 31 L N 5.051 126.299 121.223 0.042 0.000 2.329 31 L HA 0.725 5.065 4.340 -0.000 0.000 0.279 31 L C -0.787 176.120 176.870 0.062 0.000 1.014 31 L CA -0.808 54.072 54.840 0.067 0.000 0.814 31 L CB 2.126 44.264 42.059 0.131 0.000 1.257 31 L HN 0.379 nan 8.230 nan 0.000 0.424 32 V N 1.833 121.772 119.914 0.041 0.000 2.540 32 V HA 0.694 4.814 4.120 -0.000 0.000 0.302 32 V C -0.077 176.021 176.094 0.007 0.000 1.035 32 V CA -0.626 61.691 62.300 0.030 0.000 0.873 32 V CB 1.666 33.499 31.823 0.017 0.000 0.992 32 V HN 0.823 nan 8.190 nan 0.000 0.428 33 A N 6.314 129.133 122.820 -0.001 0.000 2.323 33 A HA 0.785 5.105 4.320 -0.000 0.000 0.305 33 A C -1.911 175.663 177.584 -0.017 0.000 1.275 33 A CA -1.440 50.576 52.037 -0.035 0.000 0.804 33 A CB 1.328 20.279 19.000 -0.081 0.000 1.152 33 A HN 0.630 nan 8.150 nan 0.000 0.487 34 P HA 0.202 nan 4.420 nan 0.000 0.251 34 P C 0.897 178.190 177.300 -0.012 0.000 1.223 34 P CA 1.211 64.300 63.100 -0.018 0.000 0.796 34 P CB 0.318 32.014 31.700 -0.008 0.000 1.068 35 G N 1.253 110.051 108.800 -0.003 0.000 2.741 35 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.222 35 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.222 35 G C -0.622 174.267 174.900 -0.018 0.000 1.364 35 G CA -0.065 45.025 45.100 -0.017 0.000 0.866 35 G HN 0.667 nan 8.290 nan 0.000 0.555 36 N N -2.499 116.167 118.700 -0.056 0.000 3.479 36 N HA 0.781 5.521 4.740 -0.000 0.000 0.336 36 N C 1.266 176.708 175.510 -0.113 0.000 1.623 36 N CA 0.740 53.762 53.050 -0.046 0.000 0.759 36 N CB 0.468 38.957 38.487 0.004 0.000 2.016 36 N HN 1.630 nan 8.380 nan 0.000 0.637 37 A N -0.921 121.842 122.820 -0.095 0.000 2.066 37 A HA 0.198 4.518 4.320 -0.000 0.000 0.218 37 A C 1.808 179.178 177.584 -0.357 0.000 1.157 37 A CA 1.526 53.482 52.037 -0.135 0.000 0.670 37 A CB -1.557 17.417 19.000 -0.043 0.000 0.804 37 A HN 0.762 nan 8.150 nan 0.000 0.453 38 G N -0.609 107.796 108.800 -0.658 0.000 2.534 38 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 38 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 38 G C 1.317 175.731 174.900 -0.811 0.000 1.128 38 G CA 1.685 46.058 45.100 -1.212 0.000 0.784 38 G HN 0.724 nan 8.290 nan 0.000 0.542 39 T N -3.511 110.737 114.554 -0.510 0.000 3.084 39 T HA 0.588 4.938 4.350 -0.000 0.000 0.270 39 T C 2.004 176.609 174.700 -0.158 0.000 1.008 39 T CA 0.853 62.766 62.100 -0.311 0.000 0.900 39 T CB 0.869 69.601 68.868 -0.227 0.000 1.084 39 T HN 0.160 nan 8.240 nan 0.000 0.538 40 A N 0.255 122.984 122.820 -0.153 0.000 1.970 40 A HA 0.380 4.700 4.320 -0.000 0.000 0.216 40 A C 1.327 178.879 177.584 -0.053 0.000 1.170 40 A CA 0.354 52.340 52.037 -0.085 0.000 0.645 40 A CB -0.404 18.550 19.000 -0.076 0.000 0.816 40 A HN 0.631 nan 8.150 nan 0.000 0.447 41 C N -0.564 118.704 119.300 -0.054 0.000 3.309 41 C HA 0.666 5.126 4.460 -0.000 0.000 0.335 41 C C -0.126 174.858 174.990 -0.009 0.000 1.018 41 C CA -0.270 58.734 59.018 -0.023 0.000 1.326 41 C CB -0.602 27.128 27.740 -0.016 0.000 1.752 41 C HN 0.477 nan 8.230 nan 0.000 0.567 42 S N 1.476 117.174 115.700 -0.002 0.000 2.794 42 S HA 0.481 4.951 4.470 -0.000 0.000 0.299 42 S C 0.643 175.249 174.600 0.010 0.000 1.179 42 S CA -0.339 57.869 58.200 0.014 0.000 0.838 42 S CB 1.583 64.795 63.200 0.020 0.000 1.206 42 S HN 0.713 nan 8.310 nan 0.000 0.523 43 E N 0.267 120.474 120.200 0.012 0.000 2.112 43 E HA 0.076 4.425 4.350 -0.000 0.000 0.190 43 E C 1.034 177.629 176.600 -0.009 0.000 0.979 43 E CA 0.767 57.167 56.400 -0.001 0.000 0.814 43 E CB 0.124 29.821 29.700 -0.005 0.000 0.762 43 E HN 0.351 nan 8.360 nan 0.000 0.460 44 K N -0.362 120.034 120.400 -0.007 0.000 2.399 44 K HA 0.238 4.558 4.320 -0.000 0.000 0.196 44 K C 0.273 176.870 176.600 -0.005 0.000 1.103 44 K CA 0.041 56.319 56.287 -0.016 0.000 0.986 44 K CB 1.080 33.562 32.500 -0.030 0.000 0.952 44 K HN 0.013 nan 8.250 nan 0.000 0.541 45 I N 1.883 122.458 120.570 0.008 0.000 2.359 45 I HA 0.135 4.305 4.170 -0.000 0.000 0.294 45 I C 0.004 176.120 176.117 -0.003 0.000 0.987 45 I CA -0.540 60.767 61.300 0.011 0.000 1.225 45 I CB 1.734 39.751 38.000 0.028 0.000 1.366 45 I HN -0.027 nan 8.210 nan 0.000 0.466 46 S N 4.275 119.975 115.700 0.001 0.000 2.638 46 S HA 0.559 5.028 4.470 -0.000 0.000 0.274 46 S C -1.092 173.509 174.600 0.003 0.000 1.157 46 S CA -1.123 57.075 58.200 -0.003 0.000 0.826 46 S CB 1.922 65.125 63.200 0.006 0.000 1.139 46 S HN 0.481 nan 8.310 nan 0.000 0.474 47 N N 0.715 119.412 118.700 -0.004 0.000 2.489 47 N HA 0.697 5.436 4.740 -0.000 0.000 0.284 47 N C -0.792 174.729 175.510 0.018 0.000 1.158 47 N CA -0.254 52.794 53.050 -0.003 0.000 0.965 47 N CB 1.639 40.112 38.487 -0.023 0.000 1.195 47 N HN 0.805 nan 8.380 nan 0.000 0.506 48 T N -1.818 112.738 114.554 0.003 0.000 2.933 48 T HA 0.584 4.934 4.350 -0.000 0.000 0.305 48 T C -0.193 174.467 174.700 -0.065 0.000 1.092 48 T CA -0.701 61.396 62.100 -0.004 0.000 1.008 48 T CB 1.012 69.897 68.868 0.028 0.000 1.102 48 T HN 0.400 nan 8.240 nan 0.000 0.469 49 A N 4.103 126.887 122.820 -0.059 0.000 2.302 49 A HA 0.363 4.683 4.320 -0.000 0.000 0.219 49 A C 0.855 178.360 177.584 -0.132 0.000 1.243 49 A CA -0.328 51.665 52.037 -0.074 0.000 0.856 49 A CB -0.817 18.161 19.000 -0.037 0.000 0.893 49 A HN 0.799 nan 8.150 nan 0.000 0.491 50 I N 1.040 121.450 120.570 -0.268 0.000 2.906 50 I HA -0.055 4.115 4.170 -0.000 0.000 0.302 50 I C 1.023 177.005 176.117 -0.226 0.000 1.220 50 I CA 0.269 61.339 61.300 -0.384 0.000 1.441 50 I CB 0.376 37.775 38.000 -1.001 0.000 1.336 50 I HN 0.240 nan 8.210 nan 0.000 0.565 51 S N 7.086 122.697 115.700 -0.149 0.000 2.537 51 S HA 0.131 4.601 4.470 -0.000 0.000 0.286 51 S C 1.143 175.698 174.600 -0.075 0.000 1.299 51 S CA 0.028 58.174 58.200 -0.090 0.000 1.067 51 S CB 0.082 63.244 63.200 -0.062 0.000 0.864 51 S HN 0.573 nan 8.310 nan 0.000 0.494 52 I N 2.331 122.876 120.570 -0.042 0.000 3.956 52 I HA 0.215 4.385 4.170 -0.000 0.000 0.333 52 I C 1.270 177.417 176.117 0.050 0.000 1.302 52 I CA 0.208 61.514 61.300 0.010 0.000 1.122 52 I CB 0.050 38.056 38.000 0.010 0.000 1.013 52 I HN 0.616 nan 8.210 nan 0.000 0.405 53 S N -1.059 114.619 115.700 -0.036 0.000 2.505 53 S HA 0.081 4.551 4.470 -0.000 0.000 0.216 53 S C 0.701 175.115 174.600 -0.310 0.000 1.018 53 S CA -0.152 57.964 58.200 -0.141 0.000 0.911 53 S CB -0.173 62.967 63.200 -0.101 0.000 0.818 53 S HN 0.416 nan 8.310 nan 0.000 0.497 54 D N 1.604 121.905 120.400 -0.164 0.000 2.441 54 D HA 0.246 4.886 4.640 -0.000 0.000 0.221 54 D C 0.474 176.747 176.300 -0.044 0.000 1.156 54 D CA -0.258 53.657 54.000 -0.143 0.000 0.896 54 D CB 0.243 41.003 40.800 -0.066 0.000 1.028 54 D HN 0.420 nan 8.370 nan 0.000 0.509 55 H N 1.074 120.140 119.070 -0.006 0.000 2.462 55 H HA -0.052 4.504 4.556 -0.000 0.000 0.292 55 H C 1.518 176.854 175.328 0.013 0.000 1.049 55 H CA 1.056 57.105 56.048 0.002 0.000 1.334 55 H CB 0.624 30.386 29.762 -0.001 0.000 1.404 55 H HN 0.325 nan 8.280 nan 0.000 0.544 56 T N 0.531 115.153 114.554 0.112 0.000 2.674 56 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 56 T C 2.433 177.179 174.700 0.076 0.000 1.039 56 T CA 1.097 63.243 62.100 0.077 0.000 1.150 56 T CB -0.389 68.506 68.868 0.046 0.000 0.864 56 T HN 0.476 nan 8.240 nan 0.000 0.427 57 A N 1.257 124.113 122.820 0.060 0.000 1.902 57 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 57 A C 2.262 179.906 177.584 0.100 0.000 1.181 57 A CA 1.228 53.304 52.037 0.067 0.000 0.623 57 A CB -0.858 18.161 19.000 0.033 0.000 0.818 57 A HN 0.383 nan 8.150 nan 0.000 0.443 58 L N -0.193 121.080 121.223 0.085 0.000 2.042 58 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 58 L C 2.689 179.659 176.870 0.168 0.000 1.076 58 L CA 2.223 57.120 54.840 0.095 0.000 0.749 58 L CB -0.721 41.392 42.059 0.090 0.000 0.893 58 L HN 0.353 nan 8.230 nan 0.000 0.432 59 A N -1.264 121.635 122.820 0.131 0.000 1.902 59 A HA -0.252 4.067 4.320 -0.000 0.000 0.217 59 A C 2.175 179.831 177.584 0.120 0.000 1.181 59 A CA 1.758 53.863 52.037 0.113 0.000 0.623 59 A CB -0.563 18.485 19.000 0.079 0.000 0.818 59 A HN 0.640 nan 8.150 nan 0.000 0.443 60 Q N -1.696 118.176 119.800 0.120 0.000 2.084 60 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 60 Q C 1.898 177.978 176.000 0.135 0.000 0.978 60 Q CA 1.692 57.557 55.803 0.103 0.000 0.844 60 Q CB -0.344 28.446 28.738 0.086 0.000 0.898 60 Q HN 0.778 nan 8.270 nan 0.000 0.426 61 F N 0.511 120.472 119.950 0.018 0.000 2.102 61 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 61 F C 2.109 177.916 175.800 0.012 0.000 1.105 61 F CA 1.222 59.230 58.000 0.014 0.000 1.239 61 F CB -0.343 38.668 39.000 0.017 0.000 0.991 61 F HN 0.074 nan 8.300 nan 0.000 0.474 62 C N 1.163 120.635 119.300 0.287 0.000 2.398 62 C HA -0.230 4.230 4.460 -0.000 0.000 0.276 62 C C 2.675 177.656 174.990 -0.015 0.000 1.222 62 C CA 1.749 60.838 59.018 0.118 0.000 1.746 62 C CB -1.235 26.601 27.740 0.161 0.000 2.039 62 C HN 0.486 nan 8.230 nan 0.000 0.470 63 K N 0.631 121.035 120.400 0.006 0.000 2.057 63 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 63 K C 1.983 178.546 176.600 -0.061 0.000 1.050 63 K CA 1.699 57.976 56.287 -0.017 0.000 0.935 63 K CB -0.261 32.242 32.500 0.005 0.000 0.715 63 K HN 0.534 nan 8.250 nan 0.000 0.439 64 E N 1.627 121.774 120.200 -0.087 0.000 2.085 64 E HA -0.180 4.169 4.350 -0.000 0.000 0.194 64 E C 1.234 177.728 176.600 -0.177 0.000 0.994 64 E CA 1.535 57.865 56.400 -0.118 0.000 0.801 64 E CB 0.123 29.751 29.700 -0.121 0.000 0.743 64 E HN 0.004 nan 8.360 nan 0.000 0.453 65 K N 0.570 120.798 120.400 -0.287 0.000 2.444 65 K HA 0.054 4.374 4.320 -0.000 0.000 0.193 65 K C -0.079 176.419 176.600 -0.171 0.000 1.024 65 K CA 0.333 56.447 56.287 -0.289 0.000 1.077 65 K CB 0.223 32.428 32.500 -0.492 0.000 0.833 65 K HN 0.155 nan 8.250 nan 0.000 0.517 66 K N 1.369 121.697 120.400 -0.120 0.000 3.150 66 K HA -0.151 4.169 4.320 -0.000 0.000 0.267 66 K C -0.267 176.294 176.600 -0.065 0.000 1.028 66 K CA 0.320 56.565 56.287 -0.070 0.000 0.753 66 K CB -1.225 31.240 32.500 -0.058 0.000 1.288 66 K HN 0.141 nan 8.250 nan 0.000 0.473 67 I N 1.730 122.261 120.570 -0.065 0.000 2.618 67 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 67 I C 2.042 178.138 176.117 -0.035 0.000 1.146 67 I CA 0.634 61.903 61.300 -0.052 0.000 1.425 67 I CB 0.766 38.767 38.000 0.002 0.000 1.383 67 I HN 0.247 nan 8.210 nan 0.000 0.562 68 E N 6.023 126.168 120.200 -0.092 0.000 2.047 68 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 68 E C -0.065 176.590 176.600 0.091 0.000 0.987 68 E CA 1.379 57.760 56.400 -0.032 0.000 0.799 68 E CB 0.182 29.819 29.700 -0.106 0.000 0.752 68 E HN 0.652 nan 8.360 nan 0.000 0.449 69 F N -2.950 117.038 119.950 0.062 0.000 2.713 69 F HA 0.522 5.049 4.527 -0.000 0.000 0.311 69 F C -0.949 174.896 175.800 0.075 0.000 1.141 69 F CA -1.403 56.628 58.000 0.051 0.000 0.939 69 F CB 0.991 40.001 39.000 0.018 0.000 1.325 69 F HN -0.408 nan 8.300 nan 0.000 0.453 70 V N 2.173 122.325 119.914 0.396 0.000 2.483 70 V HA 0.647 4.767 4.120 -0.000 0.000 0.295 70 V C -0.610 175.708 176.094 0.374 0.000 1.035 70 V CA -0.864 61.609 62.300 0.288 0.000 0.896 70 V CB 1.696 33.624 31.823 0.175 0.000 0.986 70 V HN 0.705 nan 8.190 nan 0.000 0.447 71 V N 4.954 125.064 119.914 0.327 0.000 2.417 71 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 71 V C -0.180 176.061 176.094 0.244 0.000 1.024 71 V CA -0.657 61.846 62.300 0.338 0.000 0.861 71 V CB 1.832 33.848 31.823 0.323 0.000 0.985 71 V HN 0.604 nan 8.190 nan 0.000 0.436 72 V N 4.869 124.921 119.914 0.229 0.000 2.368 72 V HA 0.365 4.485 4.120 -0.000 0.000 0.266 72 V C 1.396 177.586 176.094 0.160 0.000 1.045 72 V CA 0.536 62.923 62.300 0.145 0.000 0.899 72 V CB 0.658 32.524 31.823 0.071 0.000 1.006 72 V HN 0.981 nan 8.190 nan 0.000 0.470 73 G N 7.558 116.442 108.800 0.140 0.000 2.575 73 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.215 73 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.215 73 G C -1.493 173.469 174.900 0.103 0.000 1.262 73 G CA 0.642 45.824 45.100 0.136 0.000 0.807 73 G HN 0.627 nan 8.290 nan 0.000 0.567 74 P HA 0.277 nan 4.420 nan 0.000 0.278 74 P C 0.111 177.425 177.300 0.022 0.000 1.266 74 P CA -0.281 62.843 63.100 0.040 0.000 0.807 74 P CB 1.690 33.409 31.700 0.032 0.000 1.094 75 E N 1.008 121.210 120.200 0.003 0.000 2.158 75 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 75 E C 1.889 178.483 176.600 -0.010 0.000 0.982 75 E CA 1.447 57.840 56.400 -0.013 0.000 0.823 75 E CB -1.097 28.588 29.700 -0.026 0.000 0.766 75 E HN 0.384 nan 8.360 nan 0.000 0.468 76 A N 1.360 124.180 122.820 0.000 0.000 1.884 76 A HA -0.150 4.169 4.320 -0.000 0.000 0.219 76 A C -0.071 177.522 177.584 0.015 0.000 1.197 76 A CA 1.947 53.987 52.037 0.005 0.000 0.637 76 A CB -1.848 17.157 19.000 0.010 0.000 0.827 76 A HN 0.375 nan 8.150 nan 0.000 0.450 77 P HA -0.083 nan 4.420 nan 0.000 0.220 77 P C 1.364 178.670 177.300 0.009 0.000 1.148 77 P CA 0.728 63.861 63.100 0.055 0.000 0.803 77 P CB -0.130 31.606 31.700 0.061 0.000 0.782 78 L N -0.783 120.424 121.223 -0.026 0.000 2.017 78 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 78 L C 2.446 179.275 176.870 -0.068 0.000 1.073 78 L CA 1.712 56.509 54.840 -0.072 0.000 0.745 78 L CB -1.336 40.668 42.059 -0.091 0.000 0.894 78 L HN -0.056 nan 8.230 nan 0.000 0.432 79 A N -0.157 122.634 122.820 -0.048 0.000 2.121 79 A HA 0.012 4.331 4.320 -0.000 0.000 0.218 79 A C 2.273 179.843 177.584 -0.024 0.000 1.154 79 A CA 1.326 53.333 52.037 -0.050 0.000 0.679 79 A CB -0.501 18.474 19.000 -0.043 0.000 0.795 79 A HN 0.396 nan 8.150 nan 0.000 0.458 80 A N -1.740 121.088 122.820 0.014 0.000 2.251 80 A HA 0.426 4.746 4.320 -0.000 0.000 0.209 80 A C 1.660 179.315 177.584 0.119 0.000 1.187 80 A CA 1.082 53.161 52.037 0.069 0.000 0.823 80 A CB -0.786 18.281 19.000 0.111 0.000 0.846 80 A HN 1.786 nan 8.150 nan 0.000 0.486 81 G N -0.518 108.296 108.800 0.022 0.000 2.131 81 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.223 81 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.223 81 G C 0.835 175.640 174.900 -0.159 0.000 0.990 81 G CA 0.339 45.421 45.100 -0.029 0.000 0.671 81 G HN 0.634 nan 8.290 nan 0.000 0.521 82 I N 0.050 120.455 120.570 -0.276 0.000 2.208 82 I HA -0.205 3.965 4.170 -0.000 0.000 0.245 82 I C 2.556 178.456 176.117 -0.361 0.000 1.097 82 I CA 2.183 63.107 61.300 -0.627 0.000 1.363 82 I CB -0.073 37.689 38.000 -0.398 0.000 1.051 82 I HN 0.191 nan 8.210 nan 0.000 0.413 83 V N 1.066 120.850 119.914 -0.216 0.000 2.270 83 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 83 V C 2.619 178.633 176.094 -0.133 0.000 1.043 83 V CA 2.094 64.300 62.300 -0.157 0.000 1.014 83 V CB -1.611 30.111 31.823 -0.168 0.000 0.645 83 V HN 0.615 nan 8.190 nan 0.000 0.447 84 G N -0.150 108.573 108.800 -0.128 0.000 2.418 84 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 84 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 84 G C 1.395 176.252 174.900 -0.072 0.000 1.158 84 G CA 1.206 46.252 45.100 -0.090 0.000 0.771 84 G HN 0.631 nan 8.290 nan 0.000 0.545 85 N N -0.131 118.514 118.700 -0.091 0.000 2.216 85 N HA 0.064 4.804 4.740 -0.000 0.000 0.183 85 N C 2.172 177.652 175.510 -0.050 0.000 1.017 85 N CA 0.319 53.339 53.050 -0.050 0.000 0.861 85 N CB -0.100 38.381 38.487 -0.010 0.000 0.986 85 N HN 0.211 nan 8.380 nan 0.000 0.428 86 L N 0.893 122.059 121.223 -0.094 0.000 2.093 86 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 86 L C 2.435 179.295 176.870 -0.017 0.000 1.085 86 L CA 0.897 55.712 54.840 -0.042 0.000 0.755 86 L CB -0.231 41.801 42.059 -0.045 0.000 0.904 86 L HN 0.183 nan 8.230 nan 0.000 0.435 87 R N -0.046 120.435 120.500 -0.032 0.000 2.081 87 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 87 R C 2.390 178.683 176.300 -0.012 0.000 1.131 87 R CA 1.783 57.870 56.100 -0.021 0.000 0.960 87 R CB -0.506 29.773 30.300 -0.036 0.000 0.856 87 R HN 0.453 nan 8.270 nan 0.000 0.436 88 S N 0.083 115.775 115.700 -0.013 0.000 2.515 88 S HA 0.065 4.535 4.470 -0.000 0.000 0.231 88 S C 1.683 176.286 174.600 0.005 0.000 0.987 88 S CA 0.685 58.883 58.200 -0.004 0.000 0.936 88 S CB 0.340 63.537 63.200 -0.005 0.000 0.766 88 S HN 0.307 nan 8.310 nan 0.000 0.528 89 A N 0.680 123.506 122.820 0.010 0.000 2.345 89 A HA 0.638 4.958 4.320 -0.000 0.000 0.225 89 A C 1.558 179.154 177.584 0.020 0.000 1.243 89 A CA 0.173 52.222 52.037 0.019 0.000 0.875 89 A CB -0.862 18.157 19.000 0.031 0.000 0.929 89 A HN 1.366 nan 8.150 nan 0.000 0.502 90 G N -1.294 107.515 108.800 0.015 0.000 2.137 90 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.237 90 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.237 90 G C -0.022 174.895 174.900 0.028 0.000 1.002 90 G CA 0.206 45.317 45.100 0.018 0.000 0.702 90 G HN 0.854 nan 8.290 nan 0.000 0.515 91 V N 1.111 121.044 119.914 0.032 0.000 2.417 91 V HA 0.398 4.518 4.120 -0.000 0.000 0.291 91 V C 0.615 176.742 176.094 0.055 0.000 1.024 91 V CA -0.764 61.566 62.300 0.050 0.000 0.861 91 V CB 1.732 33.590 31.823 0.058 0.000 0.985 91 V HN 0.424 nan 8.190 nan 0.000 0.436 92 Q N 2.471 122.323 119.800 0.086 0.000 2.332 92 Q HA 0.365 4.705 4.340 -0.000 0.000 0.263 92 Q C -0.425 175.655 176.000 0.133 0.000 0.979 92 Q CA 0.069 55.931 55.803 0.098 0.000 0.885 92 Q CB 1.425 30.245 28.738 0.137 0.000 1.218 92 Q HN 0.787 nan 8.270 nan 0.000 0.405 93 C N 3.987 123.337 119.300 0.084 0.000 2.609 93 C HA 0.547 5.007 4.460 -0.000 0.000 0.313 93 C C -1.163 173.879 174.990 0.087 0.000 1.175 93 C CA -0.872 58.207 59.018 0.103 0.000 1.434 93 C CB 0.485 28.241 27.740 0.026 0.000 2.005 93 C HN 0.864 nan 8.230 nan 0.000 0.471 94 F N 5.450 125.384 119.950 -0.027 0.000 2.411 94 F HA 0.729 5.256 4.527 -0.000 0.000 0.350 94 F C 0.471 176.233 175.800 -0.063 0.000 1.114 94 F CA 1.361 59.312 58.000 -0.082 0.000 1.135 94 F CB 0.759 39.705 39.000 -0.091 0.000 1.120 94 F HN 1.136 nan 8.300 nan 0.000 0.495 95 G N 5.906 114.270 108.800 -0.725 0.000 2.333 95 G HA2 0.180 4.139 3.960 -0.000 0.000 0.330 95 G HA3 0.180 4.139 3.960 -0.000 0.000 0.330 95 G C -3.471 171.115 174.900 -0.524 0.000 1.465 95 G CA -1.150 43.600 45.100 -0.583 0.000 0.996 95 G HN 0.485 nan 8.290 nan 0.000 0.655 96 P HA 0.360 nan 4.420 nan 0.000 0.277 96 P C 0.784 177.849 177.300 -0.392 0.000 1.240 96 P CA 0.089 62.802 63.100 -0.646 0.000 0.798 96 P CB 0.911 32.071 31.700 -0.901 0.000 0.979 97 T N -1.577 112.777 114.554 -0.333 0.000 2.856 97 T HA 0.211 4.561 4.350 -0.000 0.000 0.306 97 T C 1.659 176.232 174.700 -0.212 0.000 1.062 97 T CA 0.122 62.085 62.100 -0.227 0.000 1.083 97 T CB 0.058 68.816 68.868 -0.182 0.000 0.984 97 T HN 0.441 nan 8.240 nan 0.000 0.542 98 A N 0.851 123.574 122.820 -0.161 0.000 1.927 98 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 98 A C 2.350 179.826 177.584 -0.179 0.000 1.185 98 A CA 2.131 54.081 52.037 -0.144 0.000 0.639 98 A CB -1.136 17.803 19.000 -0.102 0.000 0.820 98 A HN 0.998 nan 8.150 nan 0.000 0.451 99 E N -0.839 119.256 120.200 -0.175 0.000 2.058 99 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 99 E C 2.319 178.764 176.600 -0.259 0.000 0.997 99 E CA 1.096 57.373 56.400 -0.205 0.000 0.801 99 E CB -0.245 29.372 29.700 -0.138 0.000 0.746 99 E HN 0.634 nan 8.360 nan 0.000 0.450 100 A N 0.905 123.596 122.820 -0.215 0.000 2.014 100 A HA 0.050 4.370 4.320 -0.000 0.000 0.218 100 A C 2.181 179.684 177.584 -0.134 0.000 1.163 100 A CA 1.170 53.103 52.037 -0.174 0.000 0.652 100 A CB -0.183 18.677 19.000 -0.234 0.000 0.808 100 A HN 0.259 nan 8.150 nan 0.000 0.449 101 A N -0.638 122.073 122.820 -0.182 0.000 2.239 101 A HA -0.030 4.290 4.320 -0.000 0.000 0.209 101 A C 1.778 179.272 177.584 -0.150 0.000 1.171 101 A CA 0.869 52.836 52.037 -0.116 0.000 0.768 101 A CB -0.486 18.438 19.000 -0.127 0.000 0.790 101 A HN 0.658 nan 8.150 nan 0.000 0.478 102 Q N -0.470 119.151 119.800 -0.298 0.000 2.364 102 Q HA -0.061 4.279 4.340 -0.000 0.000 0.209 102 Q C 1.585 177.468 176.000 -0.194 0.000 0.977 102 Q CA 0.801 56.345 55.803 -0.431 0.000 0.885 102 Q CB -0.304 27.799 28.738 -1.059 0.000 0.941 102 Q HN 0.730 nan 8.270 nan 0.000 0.464 103 L N 0.543 121.719 121.223 -0.078 0.000 2.079 103 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 103 L C 2.587 179.565 176.870 0.180 0.000 1.081 103 L CA 1.074 55.974 54.840 0.100 0.000 0.752 103 L CB -0.320 41.635 42.059 -0.173 0.000 0.896 103 L HN 0.279 nan 8.230 nan 0.000 0.433 104 E N -0.003 120.247 120.200 0.083 0.000 2.127 104 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 104 E C 2.196 178.809 176.600 0.021 0.000 0.964 104 E CA 1.294 57.735 56.400 0.069 0.000 0.832 104 E CB 0.131 29.854 29.700 0.039 0.000 0.790 104 E HN 0.417 nan 8.360 nan 0.000 0.465 105 S N -0.153 115.534 115.700 -0.023 0.000 2.453 105 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 105 S C 1.184 175.771 174.600 -0.023 0.000 1.005 105 S CA 0.492 58.670 58.200 -0.036 0.000 0.949 105 S CB -0.086 63.073 63.200 -0.069 0.000 0.774 105 S HN 0.087 nan 8.310 nan 0.000 0.510 106 S N 0.115 115.812 115.700 -0.006 0.000 2.774 106 S HA 0.479 4.949 4.470 -0.000 0.000 0.297 106 S C 0.241 174.888 174.600 0.079 0.000 1.143 106 S CA -0.879 57.342 58.200 0.034 0.000 1.090 106 S CB 1.244 64.467 63.200 0.038 0.000 1.019 106 S HN 0.265 nan 8.310 nan 0.000 0.482 107 K N 2.837 123.261 120.400 0.040 0.000 2.147 107 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 107 K C 2.256 178.821 176.600 -0.059 0.000 1.049 107 K CA 0.948 57.236 56.287 0.001 0.000 0.936 107 K CB -0.031 32.458 32.500 -0.018 0.000 0.722 107 K HN 0.555 nan 8.250 nan 0.000 0.446 108 R N 0.183 120.672 120.500 -0.019 0.000 2.070 108 R HA -0.155 4.185 4.340 -0.000 0.000 0.233 108 R C 2.161 178.439 176.300 -0.038 0.000 1.137 108 R CA 1.648 57.710 56.100 -0.064 0.000 0.945 108 R CB -0.383 29.948 30.300 0.051 0.000 0.845 108 R HN 0.195 nan 8.270 nan 0.000 0.430 109 F N 1.174 121.096 119.950 -0.047 0.000 2.091 109 F HA -0.279 4.248 4.527 -0.000 0.000 0.299 109 F C 2.168 177.980 175.800 0.020 0.000 1.103 109 F CA 1.948 59.947 58.000 -0.001 0.000 1.228 109 F CB -0.436 38.563 39.000 -0.001 0.000 0.984 109 F HN 0.139 nan 8.300 nan 0.000 0.477 110 A N 0.523 123.475 122.820 0.221 0.000 1.908 110 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 110 A C 2.215 179.792 177.584 -0.010 0.000 1.181 110 A CA 1.851 54.001 52.037 0.187 0.000 0.627 110 A CB -0.604 18.546 19.000 0.250 0.000 0.818 110 A HN 0.374 nan 8.150 nan 0.000 0.445 111 K N -0.183 120.026 120.400 -0.318 0.000 2.155 111 K HA -0.087 4.232 4.320 -0.000 0.000 0.203 111 K C 1.773 178.108 176.600 -0.442 0.000 1.052 111 K CA 1.424 57.302 56.287 -0.683 0.000 0.948 111 K CB -0.326 31.173 32.500 -1.669 0.000 0.728 111 K HN 0.691 nan 8.250 nan 0.000 0.448 112 E N -0.012 120.010 120.200 -0.296 0.000 2.107 112 E HA -0.116 4.233 4.350 -0.000 0.000 0.191 112 E C 1.773 178.319 176.600 -0.091 0.000 0.982 112 E CA 0.607 56.975 56.400 -0.052 0.000 0.809 112 E CB -0.162 29.520 29.700 -0.031 0.000 0.756 112 E HN 0.210 nan 8.360 nan 0.000 0.459 113 F N 0.943 120.694 119.950 -0.331 0.000 2.134 113 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 113 F C 2.068 177.852 175.800 -0.027 0.000 1.097 113 F CA 1.414 59.259 58.000 -0.258 0.000 1.264 113 F CB 0.014 38.784 39.000 -0.383 0.000 1.001 113 F HN -0.044 nan 8.300 nan 0.000 0.479 114 M N 0.026 119.642 119.600 0.027 0.000 2.099 114 M HA -0.209 4.271 4.480 -0.000 0.000 0.262 114 M C 1.748 178.011 176.300 -0.061 0.000 1.067 114 M CA 1.747 57.044 55.300 -0.004 0.000 1.124 114 M CB -0.626 32.025 32.600 0.086 0.000 1.353 114 M HN 0.050 nan 8.290 nan 0.000 0.410 115 D N 0.064 120.456 120.400 -0.013 0.000 2.123 115 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 115 D C 1.932 178.165 176.300 -0.112 0.000 0.992 115 D CA 1.158 55.164 54.000 0.010 0.000 0.833 115 D CB -0.428 40.455 40.800 0.139 0.000 0.954 115 D HN 0.286 nan 8.370 nan 0.000 0.455 116 R N -0.209 120.159 120.500 -0.220 0.000 2.193 116 R HA -0.103 4.237 4.340 -0.000 0.000 0.229 116 R C 0.779 176.711 176.300 -0.613 0.000 1.110 116 R CA 1.046 56.902 56.100 -0.406 0.000 0.988 116 R CB 0.100 30.106 30.300 -0.490 0.000 0.871 116 R HN 0.331 nan 8.270 nan 0.000 0.458 117 H N -1.857 117.021 119.070 -0.321 0.000 2.662 117 H HA 0.163 4.719 4.556 -0.000 0.000 0.268 117 H C 0.542 175.765 175.328 -0.175 0.000 1.152 117 H CA 0.490 56.366 56.048 -0.288 0.000 1.072 117 H CB 1.217 30.701 29.762 -0.462 0.000 1.660 117 H HN 0.407 nan 8.280 nan 0.000 0.584 118 G N 2.044 110.811 108.800 -0.055 0.000 2.321 118 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.287 118 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.287 118 G C 0.231 175.126 174.900 -0.007 0.000 1.018 118 G CA 0.211 45.295 45.100 -0.027 0.000 0.855 118 G HN 0.392 nan 8.290 nan 0.000 0.507 119 I N 2.121 122.692 120.570 0.001 0.000 2.416 119 I HA 0.253 4.423 4.170 -0.000 0.000 0.288 119 I C -1.363 174.766 176.117 0.020 0.000 1.051 119 I CA -2.138 59.179 61.300 0.028 0.000 1.375 119 I CB 1.130 39.181 38.000 0.085 0.000 1.407 119 I HN -0.026 nan 8.210 nan 0.000 0.516 120 P HA 0.196 nan 4.420 nan 0.000 0.280 120 P C -0.465 176.823 177.300 -0.020 0.000 1.244 120 P CA -0.121 62.975 63.100 -0.005 0.000 0.784 120 P CB 1.595 33.288 31.700 -0.012 0.000 0.913 121 T N 0.579 115.124 114.554 -0.014 0.000 2.718 121 T HA 0.578 4.928 4.350 -0.000 0.000 0.306 121 T C -1.355 173.352 174.700 0.011 0.000 1.485 121 T CA -0.491 61.590 62.100 -0.032 0.000 0.997 121 T CB 0.826 69.657 68.868 -0.062 0.000 1.504 121 T HN 0.391 nan 8.240 nan 0.000 0.497 122 A N 2.058 124.891 122.820 0.022 0.000 2.425 122 A HA 0.555 4.875 4.320 -0.000 0.000 0.249 122 A C 0.543 178.236 177.584 0.181 0.000 1.084 122 A CA -0.319 51.761 52.037 0.072 0.000 0.781 122 A CB -0.078 18.974 19.000 0.088 0.000 1.019 122 A HN 0.838 nan 8.150 nan 0.000 0.490 123 Q N 1.957 121.826 119.800 0.115 0.000 2.454 123 Q HA 0.491 4.830 4.340 -0.000 0.000 0.247 123 Q C -0.372 175.835 176.000 0.345 0.000 1.028 123 Q CA -0.244 55.647 55.803 0.147 0.000 0.910 123 Q CB 0.754 29.362 28.738 -0.217 0.000 1.276 123 Q HN 0.896 nan 8.270 nan 0.000 0.489 124 W N -1.118 120.257 121.300 0.126 0.000 2.982 124 W HA 0.685 5.345 4.660 -0.000 0.000 0.344 124 W C -2.169 174.385 176.519 0.058 0.000 1.215 124 W CA -0.900 56.554 57.345 0.181 0.000 1.182 124 W CB 1.004 30.509 29.460 0.074 0.000 1.437 124 W HN 0.825 nan 8.180 nan 0.000 0.570 125 K N 0.844 121.226 120.400 -0.029 0.000 2.575 125 K HA 0.644 4.964 4.320 -0.000 0.000 0.279 125 K C -1.357 175.016 176.600 -0.379 0.000 0.969 125 K CA -0.450 55.433 56.287 -0.672 0.000 0.868 125 K CB 2.629 34.430 32.500 -1.164 0.000 1.457 125 K HN 0.712 nan 8.250 nan 0.000 0.426 126 A N 2.001 124.479 122.820 -0.570 0.000 2.337 126 A HA 0.893 5.213 4.320 -0.000 0.000 0.331 126 A C -1.427 175.604 177.584 -0.921 0.000 1.137 126 A CA -0.468 51.343 52.037 -0.376 0.000 0.807 126 A CB 0.386 19.415 19.000 0.049 0.000 1.250 126 A HN 0.461 nan 8.150 nan 0.000 0.468 127 F N -0.873 119.094 119.950 0.027 0.000 2.626 127 F HA 0.525 5.051 4.527 -0.000 0.000 0.311 127 F C 1.177 176.993 175.800 0.026 0.000 1.088 127 F CA 0.048 58.051 58.000 0.005 0.000 0.949 127 F CB 2.622 41.619 39.000 -0.004 0.000 1.322 127 F HN 0.597 nan 8.300 nan 0.000 0.461 128 T N -3.400 111.278 114.554 0.207 0.000 2.964 128 T HA 0.281 4.631 4.350 -0.000 0.000 0.249 128 T C 0.274 175.043 174.700 0.115 0.000 1.000 128 T CA -0.148 62.029 62.100 0.129 0.000 0.992 128 T CB 0.085 69.002 68.868 0.082 0.000 1.087 128 T HN 0.314 nan 8.240 nan 0.000 0.489 129 K N 2.754 123.231 120.400 0.130 0.000 2.201 129 K HA 0.320 4.640 4.320 -0.000 0.000 0.278 129 K C -1.917 174.714 176.600 0.052 0.000 1.027 129 K CA -2.244 54.090 56.287 0.078 0.000 0.909 129 K CB 1.744 34.283 32.500 0.065 0.000 1.062 129 K HN -0.001 nan 8.250 nan 0.000 0.465 130 P HA -0.107 nan 4.420 nan 0.000 0.222 130 P C 0.431 177.693 177.300 -0.063 0.000 1.153 130 P CA 1.122 64.212 63.100 -0.016 0.000 0.798 130 P CB 0.388 32.087 31.700 -0.001 0.000 0.796 131 E N 0.533 120.707 120.200 -0.042 0.000 2.077 131 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 131 E C 1.948 178.491 176.600 -0.095 0.000 0.989 131 E CA 1.095 57.463 56.400 -0.053 0.000 0.800 131 E CB -0.260 29.424 29.700 -0.026 0.000 0.746 131 E HN 0.379 nan 8.360 nan 0.000 0.452 132 E N 0.250 120.389 120.200 -0.102 0.000 2.268 132 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 132 E C 1.817 178.104 176.600 -0.521 0.000 0.995 132 E CA 0.782 57.087 56.400 -0.158 0.000 0.836 132 E CB 0.033 29.737 29.700 0.006 0.000 0.763 132 E HN 0.234 nan 8.360 nan 0.000 0.491 133 A N 0.038 122.478 122.820 -0.634 0.000 1.929 133 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 133 A C 2.266 179.613 177.584 -0.396 0.000 1.176 133 A CA 0.874 52.357 52.037 -0.923 0.000 0.628 133 A CB -0.624 18.110 19.000 -0.444 0.000 0.816 133 A HN 0.364 nan 8.150 nan 0.000 0.444 134 C N -1.423 117.742 119.300 -0.225 0.000 2.462 134 C HA -0.061 4.399 4.460 -0.000 0.000 0.278 134 C C 3.211 178.133 174.990 -0.113 0.000 1.253 134 C CA 1.294 60.234 59.018 -0.129 0.000 1.713 134 C CB -1.052 26.635 27.740 -0.089 0.000 2.049 134 C HN 0.668 nan 8.230 nan 0.000 0.477 135 S N 0.063 115.701 115.700 -0.104 0.000 2.381 135 S HA -0.280 4.190 4.470 -0.000 0.000 0.230 135 S C 1.645 176.229 174.600 -0.027 0.000 1.052 135 S CA 2.227 60.393 58.200 -0.057 0.000 1.068 135 S CB -0.525 62.657 63.200 -0.030 0.000 0.918 135 S HN 0.568 nan 8.310 nan 0.000 0.448 136 F N 1.406 121.229 119.950 -0.213 0.000 2.146 136 F HA 0.082 4.609 4.527 -0.000 0.000 0.298 136 F C 1.884 177.595 175.800 -0.148 0.000 1.096 136 F CA 1.280 59.199 58.000 -0.135 0.000 1.275 136 F CB -0.498 38.438 39.000 -0.108 0.000 1.008 136 F HN 0.231 nan 8.300 nan 0.000 0.480 137 I N 0.056 120.522 120.570 -0.174 0.000 2.163 137 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 137 I C 2.367 178.321 176.117 -0.271 0.000 1.085 137 I CA 1.416 62.566 61.300 -0.251 0.000 1.347 137 I CB -0.577 37.351 38.000 -0.119 0.000 1.044 137 I HN 0.144 nan 8.210 nan 0.000 0.408 138 L N 0.050 121.162 121.223 -0.184 0.000 2.201 138 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 138 L C 2.140 178.906 176.870 -0.172 0.000 1.105 138 L CA 1.513 56.263 54.840 -0.151 0.000 0.775 138 L CB -0.498 41.501 42.059 -0.100 0.000 0.913 138 L HN 0.388 nan 8.230 nan 0.000 0.440 139 S N -1.411 114.166 115.700 -0.205 0.000 2.593 139 S HA 0.398 4.868 4.470 -0.000 0.000 0.236 139 S C 0.575 175.014 174.600 -0.268 0.000 0.991 139 S CA -0.357 57.735 58.200 -0.180 0.000 0.963 139 S CB 0.231 63.374 63.200 -0.095 0.000 0.865 139 S HN 0.148 nan 8.310 nan 0.000 0.488 140 A N 1.115 123.648 122.820 -0.478 0.000 2.354 140 A HA 0.489 4.809 4.320 -0.000 0.000 0.269 140 A C 0.669 178.000 177.584 -0.420 0.000 1.109 140 A CA -0.442 51.204 52.037 -0.651 0.000 0.800 140 A CB 0.371 18.555 19.000 -1.361 0.000 1.045 140 A HN 0.348 nan 8.150 nan 0.000 0.489 141 D N 0.658 120.927 120.400 -0.219 0.000 2.327 141 D HA 0.065 4.705 4.640 -0.000 0.000 0.205 141 D C 0.325 176.619 176.300 -0.009 0.000 0.989 141 D CA 0.690 54.645 54.000 -0.075 0.000 0.873 141 D CB 0.017 40.828 40.800 0.017 0.000 0.955 141 D HN 0.598 nan 8.370 nan 0.000 0.515 142 F N 1.295 121.203 119.950 -0.071 0.000 2.380 142 F HA 0.416 4.943 4.527 -0.000 0.000 0.325 142 F C -2.211 173.551 175.800 -0.063 0.000 1.136 142 F CA -3.032 54.938 58.000 -0.050 0.000 1.171 142 F CB -0.687 38.297 39.000 -0.026 0.000 1.230 142 F HN -0.302 nan 8.300 nan 0.000 0.554 143 P HA 0.110 nan 4.420 nan 0.000 0.259 143 P C -0.608 176.672 177.300 -0.032 0.000 1.635 143 P CA 0.112 63.188 63.100 -0.039 0.000 1.199 143 P CB -0.119 31.605 31.700 0.040 0.000 1.850 144 A N 4.207 126.836 122.820 -0.319 0.000 2.915 144 A HA 0.268 4.588 4.320 -0.000 0.000 0.292 144 A C 0.791 178.345 177.584 -0.051 0.000 1.632 144 A CA -0.165 51.756 52.037 -0.193 0.000 1.337 144 A CB -0.854 17.791 19.000 -0.592 0.000 1.111 144 A HN 0.554 nan 8.150 nan 0.000 0.569 145 L N 1.932 123.179 121.223 0.040 0.000 3.259 145 L HA 0.193 4.533 4.340 -0.000 0.000 0.292 145 L C -0.671 176.237 176.870 0.064 0.000 1.219 145 L CA 0.035 54.893 54.840 0.030 0.000 1.035 145 L CB 0.778 42.845 42.059 0.012 0.000 1.424 145 L HN 0.328 nan 8.230 nan 0.000 0.603 146 V N 1.408 121.385 119.914 0.106 0.000 2.357 146 V HA 0.391 4.510 4.120 -0.000 0.000 0.284 146 V C -0.262 175.910 176.094 0.129 0.000 1.018 146 V CA -0.722 61.640 62.300 0.104 0.000 0.841 146 V CB 2.463 34.349 31.823 0.104 0.000 0.991 146 V HN -0.008 nan 8.190 nan 0.000 0.437 147 V N 5.279 125.255 119.914 0.103 0.000 2.487 147 V HA 0.690 4.810 4.120 -0.000 0.000 0.298 147 V C -0.590 175.559 176.094 0.092 0.000 1.028 147 V CA -0.459 61.911 62.300 0.117 0.000 0.860 147 V CB 1.680 33.569 31.823 0.110 0.000 0.991 147 V HN 0.886 nan 8.190 nan 0.000 0.427 148 K N 5.574 126.035 120.400 0.103 0.000 2.463 148 K HA 0.729 5.049 4.320 -0.000 0.000 0.255 148 K C -0.203 176.442 176.600 0.074 0.000 0.942 148 K CA -0.425 55.906 56.287 0.073 0.000 0.814 148 K CB 2.079 34.616 32.500 0.060 0.000 1.122 148 K HN 1.004 nan 8.250 nan 0.000 0.425 149 A N 1.972 124.826 122.820 0.056 0.000 2.545 149 A HA -0.008 4.311 4.320 -0.000 0.000 0.253 149 A C 1.376 178.986 177.584 0.042 0.000 1.074 149 A CA 0.205 52.272 52.037 0.050 0.000 0.760 149 A CB 0.399 19.421 19.000 0.037 0.000 1.005 149 A HN 0.822 nan 8.150 nan 0.000 0.506 150 S N 2.357 118.085 115.700 0.048 0.000 2.382 150 S HA -0.023 4.447 4.470 -0.000 0.000 0.228 150 S C 1.190 175.806 174.600 0.027 0.000 1.027 150 S CA 1.471 59.694 58.200 0.039 0.000 0.991 150 S CB -0.289 62.939 63.200 0.047 0.000 0.823 150 S HN 1.179 nan 8.310 nan 0.000 0.469 151 G N 1.604 110.418 108.800 0.024 0.000 2.329 151 G HA2 0.619 4.579 3.960 -0.000 0.000 0.309 151 G HA3 0.619 4.579 3.960 -0.000 0.000 0.309 151 G C -0.083 174.823 174.900 0.010 0.000 1.110 151 G CA -0.030 45.079 45.100 0.014 0.000 0.923 151 G HN 0.633 nan 8.290 nan 0.000 0.430 157 G N -1.476 107.335 108.800 0.019 0.000 2.475 157 G HA2 0.009 3.969 3.960 -0.000 0.000 0.209 157 G HA3 0.009 3.969 3.960 -0.000 0.000 0.209 157 G C 0.037 174.952 174.900 0.024 0.000 1.127 157 G CA 0.769 45.880 45.100 0.019 0.000 0.681 157 G HN 1.607 nan 8.290 nan 0.000 0.517 158 V N 1.858 121.786 119.914 0.022 0.000 2.655 158 V HA 0.629 4.749 4.120 -0.000 0.000 0.301 158 V C -0.509 175.601 176.094 0.027 0.000 1.082 158 V CA -0.542 61.774 62.300 0.027 0.000 0.899 158 V CB 1.759 33.593 31.823 0.019 0.000 1.014 158 V HN 0.431 nan 8.190 nan 0.000 0.429 159 I N 4.769 125.360 120.570 0.035 0.000 2.436 159 I HA 0.494 4.664 4.170 -0.000 0.000 0.289 159 I C -0.655 175.484 176.117 0.037 0.000 1.010 159 I CA -0.958 60.361 61.300 0.032 0.000 1.098 159 I CB 2.325 40.343 38.000 0.030 0.000 1.266 159 I HN 0.256 nan 8.210 nan 0.000 0.434 160 V N 6.138 126.070 119.914 0.031 0.000 2.294 160 V HA 0.467 4.587 4.120 -0.000 0.000 0.272 160 V C 0.557 176.667 176.094 0.026 0.000 1.027 160 V CA -0.401 61.918 62.300 0.032 0.000 0.823 160 V CB 1.105 32.945 31.823 0.028 0.000 1.030 160 V HN 0.830 nan 8.190 nan 0.000 0.457 161 A N 4.645 127.481 122.820 0.026 0.000 2.293 161 A HA 0.614 4.934 4.320 -0.000 0.000 0.302 161 A C 0.882 178.474 177.584 0.013 0.000 1.119 161 A CA -0.468 51.579 52.037 0.016 0.000 0.823 161 A CB 0.780 19.788 19.000 0.012 0.000 1.097 161 A HN 0.828 nan 8.150 nan 0.000 0.491 162 K N 0.245 120.649 120.400 0.007 0.000 2.334 162 K HA 0.097 4.416 4.320 -0.000 0.000 0.195 162 K C 0.450 177.047 176.600 -0.005 0.000 1.045 162 K CA 1.015 57.305 56.287 0.005 0.000 1.004 162 K CB 0.249 32.753 32.500 0.006 0.000 0.837 162 K HN 0.736 nan 8.250 nan 0.000 0.510 163 S N -0.423 115.271 115.700 -0.010 0.000 2.570 163 S HA 0.332 4.802 4.470 -0.000 0.000 0.286 163 S C 0.402 174.984 174.600 -0.030 0.000 1.099 163 S CA -0.986 57.201 58.200 -0.021 0.000 0.913 163 S CB 2.323 65.512 63.200 -0.018 0.000 1.085 163 S HN -0.037 nan 8.310 nan 0.000 0.480 164 K N 1.125 121.497 120.400 -0.046 0.000 2.089 164 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 164 K C 1.952 178.525 176.600 -0.044 0.000 1.048 164 K CA 2.030 58.281 56.287 -0.060 0.000 0.926 164 K CB -0.325 32.128 32.500 -0.079 0.000 0.714 164 K HN 0.857 nan 8.250 nan 0.000 0.448 165 E N 1.327 121.506 120.200 -0.035 0.000 2.070 165 E HA -0.253 4.096 4.350 -0.000 0.000 0.197 165 E C 1.781 178.370 176.600 -0.019 0.000 1.004 165 E CA 1.564 57.948 56.400 -0.026 0.000 0.805 165 E CB 0.094 29.781 29.700 -0.021 0.000 0.744 165 E HN 0.308 nan 8.360 nan 0.000 0.451 166 E N -0.530 119.661 120.200 -0.015 0.000 2.204 166 E HA -0.144 4.205 4.350 -0.000 0.000 0.194 166 E C 1.898 178.496 176.600 -0.003 0.000 0.989 166 E CA 0.661 57.057 56.400 -0.007 0.000 0.824 166 E CB -0.016 29.683 29.700 -0.003 0.000 0.756 166 E HN 0.384 nan 8.360 nan 0.000 0.477 167 A N 0.453 123.268 122.820 -0.008 0.000 1.930 167 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 167 A C 2.363 179.944 177.584 -0.004 0.000 1.176 167 A CA 0.712 52.749 52.037 -0.000 0.000 0.632 167 A CB -0.584 18.414 19.000 -0.004 0.000 0.819 167 A HN 0.326 nan 8.150 nan 0.000 0.445 168 C N -0.486 118.802 119.300 -0.020 0.000 2.429 168 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 168 C C 3.355 178.338 174.990 -0.012 0.000 1.262 168 C CA 1.712 60.716 59.018 -0.023 0.000 1.733 168 C CB -1.125 26.595 27.740 -0.033 0.000 2.010 168 C HN 0.741 nan 8.230 nan 0.000 0.483 169 K N 0.680 121.075 120.400 -0.008 0.000 2.074 169 K HA -0.059 4.261 4.320 -0.000 0.000 0.209 169 K C 2.097 178.699 176.600 0.004 0.000 1.048 169 K CA 2.058 58.344 56.287 -0.003 0.000 0.926 169 K CB -1.192 31.306 32.500 -0.002 0.000 0.713 169 K HN 0.633 nan 8.250 nan 0.000 0.444 170 A N 0.337 123.162 122.820 0.008 0.000 1.930 170 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 170 A C 2.547 180.146 177.584 0.023 0.000 1.175 170 A CA 1.574 53.621 52.037 0.018 0.000 0.627 170 A CB -0.362 18.652 19.000 0.024 0.000 0.815 170 A HN 0.322 nan 8.150 nan 0.000 0.443 171 V N 0.057 119.984 119.914 0.021 0.000 2.626 171 V HA -0.214 3.906 4.120 -0.000 0.000 0.252 171 V C 2.660 178.765 176.094 0.019 0.000 1.067 171 V CA 1.855 64.170 62.300 0.026 0.000 1.081 171 V CB -0.541 31.288 31.823 0.010 0.000 0.686 171 V HN 0.535 nan 8.190 nan 0.000 0.468 172 Q N -0.614 119.192 119.800 0.010 0.000 2.083 172 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 172 Q C 2.301 178.309 176.000 0.013 0.000 0.969 172 Q CA 1.125 56.932 55.803 0.008 0.000 0.838 172 Q CB -0.175 28.564 28.738 0.002 0.000 0.900 172 Q HN 0.619 nan 8.270 nan 0.000 0.436 173 E N 0.477 120.686 120.200 0.014 0.000 2.072 173 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 173 E C 2.111 178.722 176.600 0.019 0.000 0.982 173 E CA 0.517 56.925 56.400 0.014 0.000 0.803 173 E CB -0.037 29.670 29.700 0.013 0.000 0.755 173 E HN 0.369 nan 8.360 nan 0.000 0.453 174 I N 0.661 121.246 120.570 0.025 0.000 2.756 174 I HA -0.125 4.045 4.170 -0.000 0.000 0.262 174 I C 1.503 177.639 176.117 0.033 0.000 1.225 174 I CA 0.638 61.956 61.300 0.031 0.000 1.472 174 I CB -0.050 37.974 38.000 0.041 0.000 1.094 174 I HN -0.066 nan 8.210 nan 0.000 0.454 175 M N 0.554 120.173 119.600 0.030 0.000 3.346 175 M HA 0.155 4.635 4.480 -0.000 0.000 0.240 175 M C 0.299 176.612 176.300 0.022 0.000 1.190 175 M CA 0.050 55.368 55.300 0.030 0.000 1.192 175 M CB 0.387 33.007 32.600 0.033 0.000 1.182 175 M HN 0.164 nan 8.290 nan 0.000 0.570 176 Q N 0.319 120.130 119.800 0.019 0.000 2.013 176 Q HA 0.449 4.789 4.340 -0.000 0.000 0.158 176 Q C 0.553 176.562 176.000 0.014 0.000 0.517 176 Q CA 0.881 56.693 55.803 0.015 0.000 0.753 176 Q CB 0.412 29.157 28.738 0.012 0.000 1.005 176 Q HN 0.462 nan 8.270 nan 0.000 0.393 186 T N -1.208 113.383 114.554 0.062 0.000 2.896 186 T HA 0.772 5.122 4.350 -0.000 0.000 0.297 186 T C 0.040 174.796 174.700 0.094 0.000 1.108 186 T CA -0.008 62.140 62.100 0.080 0.000 1.004 186 T CB 0.863 69.773 68.868 0.070 0.000 1.159 186 T HN 1.677 nan 8.240 nan 0.000 0.499 187 I N -1.448 119.202 120.570 0.133 0.000 2.957 187 I HA 0.905 5.075 4.170 -0.000 0.000 0.310 187 I C -1.395 174.833 176.117 0.185 0.000 1.063 187 I CA -1.595 59.793 61.300 0.147 0.000 1.033 187 I CB 2.198 40.296 38.000 0.164 0.000 1.230 187 I HN 0.427 nan 8.210 nan 0.000 0.447 188 V N 4.865 124.886 119.914 0.178 0.000 2.409 188 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 188 V C -0.036 176.223 176.094 0.276 0.000 1.020 188 V CA -0.353 62.080 62.300 0.223 0.000 0.848 188 V CB 1.510 33.413 31.823 0.133 0.000 0.990 188 V HN 0.502 nan 8.190 nan 0.000 0.430 189 I N 5.717 126.521 120.570 0.390 0.000 2.336 189 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 189 I C 0.189 176.602 176.117 0.493 0.000 0.991 189 I CA -0.183 61.373 61.300 0.427 0.000 1.227 189 I CB 1.362 39.700 38.000 0.562 0.000 1.366 189 I HN 0.801 nan 8.210 nan 0.000 0.466 190 E N 4.707 125.144 120.200 0.395 0.000 2.433 190 E HA 0.392 4.742 4.350 -0.000 0.000 0.273 190 E C -1.046 175.779 176.600 0.376 0.000 0.950 190 E CA -1.035 55.622 56.400 0.428 0.000 0.796 190 E CB 1.529 31.424 29.700 0.325 0.000 1.330 190 E HN 0.518 nan 8.360 nan 0.000 0.455 191 E N 1.216 121.662 120.200 0.410 0.000 2.415 191 E HA 0.041 4.390 4.350 -0.000 0.000 0.263 191 E C -0.686 176.037 176.600 0.204 0.000 0.995 191 E CA -0.482 56.142 56.400 0.373 0.000 0.915 191 E CB 0.565 30.444 29.700 0.298 0.000 0.951 191 E HN 0.464 nan 8.360 nan 0.000 0.449 192 L N 6.538 127.860 121.223 0.166 0.000 2.565 192 L HA 0.150 4.490 4.340 -0.000 0.000 0.275 192 L C -0.877 176.043 176.870 0.083 0.000 1.137 192 L CA 0.420 55.320 54.840 0.100 0.000 0.915 192 L CB 0.006 42.110 42.059 0.074 0.000 1.232 192 L HN 0.534 nan 8.230 nan 0.000 0.473 193 L N 4.064 125.322 121.223 0.059 0.000 2.454 193 L HA 0.549 4.889 4.340 -0.000 0.000 0.256 193 L C -0.181 176.704 176.870 0.026 0.000 1.136 193 L CA -0.755 54.107 54.840 0.038 0.000 0.804 193 L CB 1.142 43.212 42.059 0.020 0.000 1.181 193 L HN 0.710 nan 8.230 nan 0.000 0.469 194 D N -1.255 119.155 120.400 0.018 0.000 2.592 194 D HA 0.822 5.462 4.640 -0.000 0.000 0.263 194 D C -0.236 176.065 176.300 0.001 0.000 1.132 194 D CA -0.183 53.823 54.000 0.010 0.000 0.996 194 D CB 1.995 42.804 40.800 0.016 0.000 1.442 194 D HN 0.825 nan 8.370 nan 0.000 0.486 195 G N -0.811 107.987 108.800 -0.003 0.000 2.331 195 G HA2 0.144 4.104 3.960 -0.000 0.000 0.479 195 G HA3 0.144 4.104 3.960 -0.000 0.000 0.479 195 G C -1.378 173.504 174.900 -0.030 0.000 1.262 195 G CA -0.903 44.190 45.100 -0.012 0.000 1.029 195 G HN 0.574 nan 8.290 nan 0.000 0.487 196 E N 1.207 121.378 120.200 -0.049 0.000 2.259 196 E HA 0.359 4.709 4.350 -0.000 0.000 0.281 196 E C 0.259 176.806 176.600 -0.089 0.000 1.027 196 E CA -0.158 56.193 56.400 -0.080 0.000 0.838 196 E CB 1.283 30.912 29.700 -0.117 0.000 1.066 196 E HN 0.477 nan 8.360 nan 0.000 0.401 197 E N 1.083 121.226 120.200 -0.095 0.000 2.313 197 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 197 E C -0.332 176.191 176.600 -0.129 0.000 1.038 197 E CA -0.633 55.707 56.400 -0.099 0.000 0.863 197 E CB 1.626 31.276 29.700 -0.083 0.000 1.060 197 E HN 0.275 nan 8.360 nan 0.000 0.402 198 V N -1.261 118.571 119.914 -0.136 0.000 3.048 198 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 198 V C -0.690 175.286 176.094 -0.196 0.000 1.214 198 V CA -0.980 61.220 62.300 -0.167 0.000 0.984 198 V CB 2.104 33.825 31.823 -0.169 0.000 1.054 198 V HN 0.500 nan 8.190 nan 0.000 0.430 199 S N 1.677 117.238 115.700 -0.231 0.000 2.429 199 S HA 0.606 5.075 4.470 -0.000 0.000 0.302 199 S C -0.416 173.945 174.600 -0.398 0.000 1.115 199 S CA -0.379 57.590 58.200 -0.384 0.000 1.095 199 S CB 0.854 63.897 63.200 -0.261 0.000 0.987 199 S HN 0.957 nan 8.310 nan 0.000 0.474 200 C N 4.992 124.002 119.300 -0.484 0.000 2.293 200 C HA 0.582 5.042 4.460 -0.000 0.000 0.323 200 C C -0.177 174.594 174.990 -0.366 0.000 1.240 200 C CA -0.837 57.976 59.018 -0.343 0.000 1.497 200 C CB -0.922 26.674 27.740 -0.239 0.000 2.171 200 C HN 0.691 nan 8.230 nan 0.000 0.465 201 L N 3.263 124.305 121.223 -0.302 0.000 2.352 201 L HA 0.822 5.161 4.340 -0.000 0.000 0.269 201 L C 0.347 177.094 176.870 -0.205 0.000 1.034 201 L CA 0.173 54.852 54.840 -0.268 0.000 0.806 201 L CB 1.240 43.134 42.059 -0.275 0.000 1.244 201 L HN 0.887 nan 8.230 nan 0.000 0.447 202 C N -1.126 118.055 119.300 -0.197 0.000 3.086 202 C HA 0.664 5.123 4.460 -0.000 0.000 0.311 202 C C -0.540 174.365 174.990 -0.142 0.000 1.260 202 C CA -1.385 57.570 59.018 -0.105 0.000 1.426 202 C CB 0.516 28.244 27.740 -0.019 0.000 1.826 202 C HN 0.484 nan 8.230 nan 0.000 0.474 203 F N 1.303 121.318 119.950 0.109 0.000 2.412 203 F HA 0.613 5.140 4.527 -0.000 0.000 0.348 203 F C 1.099 176.957 175.800 0.097 0.000 1.102 203 F CA 0.670 58.753 58.000 0.140 0.000 1.196 203 F CB 1.448 40.550 39.000 0.170 0.000 1.144 203 F HN 0.889 nan 8.300 nan 0.000 0.541 204 T N 1.275 115.987 114.554 0.263 0.000 2.956 204 T HA 0.272 4.622 4.350 -0.000 0.000 0.312 204 T C -0.469 174.309 174.700 0.130 0.000 1.151 204 T CA -0.769 61.431 62.100 0.166 0.000 1.024 204 T CB 1.001 69.937 68.868 0.113 0.000 1.140 204 T HN 0.658 nan 8.240 nan 0.000 0.473 205 D N 1.519 121.971 120.400 0.086 0.000 2.424 205 D HA 0.340 4.979 4.640 -0.000 0.000 0.220 205 D C 1.391 177.702 176.300 0.018 0.000 1.150 205 D CA 0.544 54.569 54.000 0.042 0.000 0.831 205 D CB -0.039 40.779 40.800 0.030 0.000 0.981 205 D HN 1.009 nan 8.370 nan 0.000 0.500 206 G N -0.787 108.035 108.800 0.037 0.000 2.279 206 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.223 206 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.223 206 G C 1.252 176.165 174.900 0.022 0.000 1.015 206 G CA 0.314 45.430 45.100 0.028 0.000 0.621 206 G HN 0.354 nan 8.290 nan 0.000 0.506 207 K N -0.629 119.783 120.400 0.021 0.000 2.418 207 K HA 0.405 4.725 4.320 -0.000 0.000 0.208 207 K C 1.138 177.751 176.600 0.021 0.000 1.261 207 K CA 1.154 57.450 56.287 0.015 0.000 0.874 207 K CB -0.247 32.259 32.500 0.010 0.000 1.451 207 K HN 0.465 nan 8.250 nan 0.000 0.466 208 T N 1.600 116.171 114.554 0.029 0.000 2.910 208 T HA 0.475 4.825 4.350 -0.000 0.000 0.293 208 T C -0.387 174.347 174.700 0.056 0.000 1.015 208 T CA -0.197 61.925 62.100 0.038 0.000 1.094 208 T CB 1.331 70.221 68.868 0.038 0.000 0.968 208 T HN 0.003 nan 8.240 nan 0.000 0.521 209 V N 1.961 121.911 119.914 0.060 0.000 2.483 209 V HA 0.671 4.791 4.120 -0.000 0.000 0.297 209 V C -0.295 175.863 176.094 0.107 0.000 1.027 209 V CA -0.908 61.436 62.300 0.073 0.000 0.855 209 V CB 1.541 33.386 31.823 0.035 0.000 0.995 209 V HN 1.054 nan 8.190 nan 0.000 0.424 210 A N 7.814 130.737 122.820 0.172 0.000 2.431 210 A HA 0.819 5.139 4.320 -0.000 0.000 0.318 210 A C -2.696 175.056 177.584 0.280 0.000 1.330 210 A CA -1.608 50.575 52.037 0.243 0.000 0.804 210 A CB 0.744 19.925 19.000 0.303 0.000 1.135 210 A HN 0.546 nan 8.150 nan 0.000 0.483 211 P HA 0.223 nan 4.420 nan 0.000 0.271 211 P C -0.161 177.169 177.300 0.050 0.000 1.218 211 P CA 0.189 63.326 63.100 0.062 0.000 0.780 211 P CB 0.614 32.310 31.700 -0.006 0.000 0.901 212 M N 3.166 122.698 119.600 -0.113 0.000 2.359 212 M HA 0.377 4.857 4.480 -0.000 0.000 0.322 212 M C -1.997 173.973 176.300 -0.551 0.000 1.166 212 M CA -2.047 52.991 55.300 -0.437 0.000 1.067 212 M CB 0.637 33.079 32.600 -0.263 0.000 1.523 212 M HN 0.193 nan 8.290 nan 0.000 0.467 213 P HA 0.215 nan 4.420 nan 0.000 0.271 213 P C -2.669 174.452 177.300 -0.298 0.000 1.218 213 P CA -1.095 61.722 63.100 -0.471 0.000 0.780 213 P CB -0.600 30.830 31.700 -0.451 0.000 0.901 214 P HA 0.236 nan 4.420 nan 0.000 0.271 214 P C -0.819 176.386 177.300 -0.158 0.000 1.216 214 P CA 0.047 63.037 63.100 -0.184 0.000 0.776 214 P CB 0.724 32.328 31.700 -0.160 0.000 0.881 215 A N 2.901 125.617 122.820 -0.174 0.000 2.387 215 A HA 0.674 4.994 4.320 -0.000 0.000 0.303 215 A C -0.739 176.681 177.584 -0.274 0.000 1.145 215 A CA -0.543 51.376 52.037 -0.196 0.000 0.801 215 A CB 1.554 20.476 19.000 -0.130 0.000 1.342 215 A HN 0.578 nan 8.150 nan 0.000 0.440 216 Q N -0.280 119.235 119.800 -0.474 0.000 2.416 216 Q HA 0.477 4.817 4.340 -0.000 0.000 0.281 216 Q C -1.877 173.815 176.000 -0.513 0.000 1.067 216 Q CA -0.800 54.703 55.803 -0.500 0.000 0.809 216 Q CB 2.798 31.173 28.738 -0.607 0.000 1.418 216 Q HN 0.913 nan 8.270 nan 0.000 0.411 217 D N -0.533 119.699 120.400 -0.281 0.000 2.592 217 D HA 0.306 4.946 4.640 -0.000 0.000 0.263 217 D C -0.893 175.352 176.300 -0.092 0.000 1.132 217 D CA -0.505 53.428 54.000 -0.112 0.000 0.996 217 D CB 1.194 41.986 40.800 -0.014 0.000 1.442 217 D HN 0.426 nan 8.370 nan 0.000 0.486 218 H N 0.544 119.648 119.070 0.057 0.000 2.587 218 H HA 0.230 4.786 4.556 -0.000 0.000 0.325 218 H C 0.288 175.671 175.328 0.092 0.000 1.012 218 H CA -0.656 55.451 56.048 0.099 0.000 1.213 218 H CB 2.038 31.898 29.762 0.162 0.000 1.431 218 H HN 0.217 nan 8.280 nan 0.000 0.492 219 K N 1.711 122.200 120.400 0.149 0.000 2.211 219 K HA 0.062 4.382 4.320 -0.000 0.000 0.201 219 K C 0.900 177.576 176.600 0.127 0.000 1.052 219 K CA 0.217 56.575 56.287 0.118 0.000 0.973 219 K CB 0.373 32.913 32.500 0.067 0.000 0.766 219 K HN 0.392 nan 8.250 nan 0.000 0.466 220 R N 1.615 122.202 120.500 0.146 0.000 2.590 220 R HA -0.024 4.316 4.340 -0.000 0.000 0.274 220 R C 1.524 177.899 176.300 0.125 0.000 1.061 220 R CA -0.071 56.103 56.100 0.124 0.000 1.081 220 R CB 0.243 30.629 30.300 0.144 0.000 0.984 220 R HN 0.034 nan 8.270 nan 0.000 0.448 221 L N 3.267 124.540 121.223 0.083 0.000 2.093 221 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 221 L C 0.509 177.421 176.870 0.070 0.000 1.085 221 L CA 1.745 56.636 54.840 0.084 0.000 0.755 221 L CB 0.057 42.142 42.059 0.044 0.000 0.904 221 L HN 0.407 nan 8.230 nan 0.000 0.435 222 L N -0.084 121.169 121.223 0.050 0.000 2.344 222 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 222 L C 0.257 177.130 176.870 0.004 0.000 1.035 222 L CA -0.900 53.949 54.840 0.016 0.000 0.807 222 L CB 1.056 43.115 42.059 0.001 0.000 1.237 222 L HN -0.010 nan 8.230 nan 0.000 0.442 223 E N 1.106 121.278 120.200 -0.047 0.000 2.452 223 E HA 0.137 4.487 4.350 -0.000 0.000 0.261 223 E C 0.785 177.302 176.600 -0.138 0.000 0.987 223 E CA 0.829 57.163 56.400 -0.109 0.000 0.926 223 E CB 0.311 29.930 29.700 -0.135 0.000 0.934 223 E HN 0.889 nan 8.360 nan 0.000 0.452 224 G N 3.312 111.956 108.800 -0.261 0.000 2.176 224 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.232 224 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.232 224 G C 0.027 174.946 174.900 0.032 0.000 0.986 224 G CA -0.131 44.816 45.100 -0.256 0.000 0.643 224 G HN 0.715 nan 8.290 nan 0.000 0.522 225 D N -0.851 119.637 120.400 0.147 0.000 2.775 225 D HA -0.088 4.552 4.640 -0.000 0.000 0.235 225 D C 1.018 177.395 176.300 0.127 0.000 1.120 225 D CA 2.154 56.294 54.000 0.233 0.000 0.708 225 D CB -1.336 39.675 40.800 0.351 0.000 1.084 225 D HN 1.479 nan 8.370 nan 0.000 0.434 226 G N -1.435 107.409 108.800 0.073 0.000 2.601 226 G HA2 0.814 4.774 3.960 -0.000 0.000 0.317 226 G HA3 0.814 4.774 3.960 -0.000 0.000 0.317 226 G C 0.647 175.570 174.900 0.039 0.000 1.246 226 G CA 0.591 45.718 45.100 0.046 0.000 1.012 226 G HN 0.840 nan 8.290 nan 0.000 0.494 227 G N -0.464 108.350 108.800 0.024 0.000 2.741 227 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.222 227 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.222 227 G C -2.426 172.482 174.900 0.013 0.000 1.364 227 G CA -0.157 44.952 45.100 0.015 0.000 0.866 227 G HN 0.825 nan 8.290 nan 0.000 0.555 228 P HA 0.275 nan 4.420 nan 0.000 0.274 228 P C -0.132 177.158 177.300 -0.016 0.000 1.237 228 P CA -0.599 62.491 63.100 -0.017 0.000 0.793 228 P CB 0.556 32.230 31.700 -0.044 0.000 0.977 229 N N 0.198 118.890 118.700 -0.013 0.000 2.415 229 N HA 0.208 4.948 4.740 -0.000 0.000 0.248 229 N C 0.639 176.120 175.510 -0.048 0.000 1.271 229 N CA 0.494 53.541 53.050 -0.005 0.000 0.913 229 N CB 0.237 38.727 38.487 0.005 0.000 1.129 229 N HN 0.589 nan 8.380 nan 0.000 0.444 230 T N -4.203 110.345 114.554 -0.010 0.000 2.696 230 T HA 0.501 4.850 4.350 -0.000 0.000 0.291 230 T C 1.034 175.784 174.700 0.084 0.000 1.095 230 T CA -0.439 61.646 62.100 -0.025 0.000 1.026 230 T CB 0.847 69.769 68.868 0.090 0.000 1.390 230 T HN 0.279 nan 8.240 nan 0.000 0.513 231 G N -0.825 108.090 108.800 0.191 0.000 2.679 231 G HA2 0.451 4.411 3.960 -0.000 0.000 0.212 231 G HA3 0.451 4.411 3.960 -0.000 0.000 0.212 231 G C 0.904 175.879 174.900 0.125 0.000 1.137 231 G CA 0.126 45.316 45.100 0.151 0.000 0.787 231 G HN 1.776 nan 8.290 nan 0.000 0.534 232 G N -0.671 108.224 108.800 0.157 0.000 3.162 232 G HA2 0.093 4.053 3.960 -0.000 0.000 0.599 232 G HA3 0.093 4.053 3.960 -0.000 0.000 0.599 232 G C 0.127 175.119 174.900 0.153 0.000 1.335 232 G CA -0.471 44.710 45.100 0.136 0.000 1.091 232 G HN -0.047 nan 8.290 nan 0.000 0.570 233 M N 0.901 120.607 119.600 0.177 0.000 2.371 233 M HA 0.348 4.828 4.480 -0.000 0.000 0.246 233 M C 1.133 177.520 176.300 0.146 0.000 1.103 233 M CA 0.922 56.321 55.300 0.165 0.000 1.010 233 M CB 0.081 32.788 32.600 0.178 0.000 1.457 233 M HN 1.724 nan 8.290 nan 0.000 0.486 234 G N -0.214 108.684 108.800 0.164 0.000 2.340 234 G HA2 0.593 4.553 3.960 -0.000 0.000 0.298 234 G HA3 0.593 4.553 3.960 -0.000 0.000 0.298 234 G C -2.151 172.871 174.900 0.204 0.000 1.498 234 G CA -0.216 44.984 45.100 0.168 0.000 0.847 234 G HN 0.362 nan 8.290 nan 0.000 0.594 235 A N -0.593 122.342 122.820 0.192 0.000 2.586 235 A HA 1.063 5.383 4.320 -0.000 0.000 0.290 235 A C -1.420 176.267 177.584 0.172 0.000 1.086 235 A CA -0.242 51.847 52.037 0.086 0.000 0.665 235 A CB 1.350 20.355 19.000 0.008 0.000 1.279 235 A HN 2.390 nan 8.150 nan 0.000 0.423 236 Y N -2.867 117.487 120.300 0.090 0.000 2.656 236 Y HA 0.775 5.325 4.550 -0.000 0.000 0.334 236 Y C -0.795 175.133 175.900 0.047 0.000 1.179 236 Y CA -1.317 56.827 58.100 0.073 0.000 1.050 236 Y CB 0.836 39.343 38.460 0.078 0.000 1.308 236 Y HN 1.443 nan 8.280 nan 0.000 0.456 237 C N 3.255 122.688 119.300 0.221 0.000 3.090 237 C HA 0.720 5.180 4.460 -0.000 0.000 0.347 237 C C -2.994 172.081 174.990 0.143 0.000 1.147 237 C CA -1.566 57.519 59.018 0.111 0.000 1.305 237 C CB 2.088 29.857 27.740 0.048 0.000 1.692 237 C HN 0.740 nan 8.230 nan 0.000 0.506 238 P HA 0.351 nan 4.420 nan 0.000 0.278 238 P C -0.621 176.738 177.300 0.098 0.000 1.238 238 P CA 0.151 63.275 63.100 0.041 0.000 0.794 238 P CB 0.925 32.628 31.700 0.005 0.000 0.955 239 A N 5.280 128.124 122.820 0.041 0.000 2.515 239 A HA 0.209 4.529 4.320 -0.000 0.000 0.263 239 A C -1.030 176.545 177.584 -0.014 0.000 1.096 239 A CA -0.856 51.215 52.037 0.056 0.000 0.769 239 A CB -0.870 18.092 19.000 -0.064 0.000 1.040 239 A HN 0.437 nan 8.150 nan 0.000 0.505 240 P HA -0.121 nan 4.420 nan 0.000 0.230 240 P C 0.574 177.787 177.300 -0.145 0.000 1.158 240 P CA 0.875 63.977 63.100 0.003 0.000 0.769 240 P CB 0.282 32.049 31.700 0.112 0.000 0.807 241 Q N -0.273 119.254 119.800 -0.456 0.000 2.488 241 Q HA 0.024 4.364 4.340 -0.000 0.000 0.211 241 Q C 0.497 176.324 176.000 -0.288 0.000 0.967 241 Q CA 0.619 55.952 55.803 -0.784 0.000 0.926 241 Q CB -0.354 27.913 28.738 -0.786 0.000 0.992 241 Q HN 0.167 nan 8.270 nan 0.000 0.506 242 V N 1.212 121.035 119.914 -0.152 0.000 2.334 242 V HA 0.331 4.451 4.120 -0.000 0.000 0.281 242 V C 0.165 176.242 176.094 -0.029 0.000 1.016 242 V CA -0.934 61.315 62.300 -0.084 0.000 0.832 242 V CB 1.127 32.892 31.823 -0.096 0.000 0.999 242 V HN 0.181 nan 8.190 nan 0.000 0.439 243 S N 3.761 119.460 115.700 -0.001 0.000 2.600 243 S HA 0.181 4.650 4.470 -0.000 0.000 0.265 243 S C 1.008 175.608 174.600 -0.001 0.000 1.325 243 S CA -0.396 57.814 58.200 0.016 0.000 1.002 243 S CB 0.606 63.823 63.200 0.028 0.000 0.921 243 S HN 0.645 nan 8.310 nan 0.000 0.554 244 N N 1.463 120.167 118.700 0.006 0.000 2.166 244 N HA -0.116 4.623 4.740 -0.000 0.000 0.186 244 N C 0.968 176.477 175.510 -0.001 0.000 1.019 244 N CA 1.516 54.567 53.050 0.002 0.000 0.856 244 N CB -0.753 37.740 38.487 0.012 0.000 0.993 244 N HN 0.672 nan 8.380 nan 0.000 0.426 245 D N 0.856 121.258 120.400 0.003 0.000 2.123 245 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 245 D C 1.967 178.263 176.300 -0.006 0.000 0.992 245 D CA 0.479 54.480 54.000 0.001 0.000 0.833 245 D CB -0.309 40.494 40.800 0.005 0.000 0.954 245 D HN 0.090 nan 8.370 nan 0.000 0.455 246 L N 0.255 121.471 121.223 -0.011 0.000 2.093 246 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 246 L C 1.998 178.849 176.870 -0.032 0.000 1.085 246 L CA 1.212 56.039 54.840 -0.021 0.000 0.755 246 L CB -0.382 41.662 42.059 -0.025 0.000 0.904 246 L HN 0.071 nan 8.230 nan 0.000 0.435 247 L N -1.561 119.642 121.223 -0.034 0.000 2.093 247 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 247 L C 2.370 179.221 176.870 -0.031 0.000 1.085 247 L CA 1.063 55.877 54.840 -0.044 0.000 0.755 247 L CB -0.518 41.512 42.059 -0.049 0.000 0.904 247 L HN 0.267 nan 8.230 nan 0.000 0.435 248 L N -0.559 120.653 121.223 -0.018 0.000 2.156 248 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 248 L C 2.562 179.426 176.870 -0.011 0.000 1.095 248 L CA 0.699 55.534 54.840 -0.009 0.000 0.770 248 L CB -0.342 41.717 42.059 -0.000 0.000 0.914 248 L HN 0.162 nan 8.230 nan 0.000 0.439 249 K N 0.985 121.377 120.400 -0.014 0.000 2.026 249 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 249 K C 1.925 178.514 176.600 -0.019 0.000 1.048 249 K CA 1.498 57.777 56.287 -0.014 0.000 0.929 249 K CB -0.156 32.334 32.500 -0.016 0.000 0.713 249 K HN 0.140 nan 8.250 nan 0.000 0.439 250 I N 0.510 121.063 120.570 -0.029 0.000 2.252 250 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 250 I C 2.368 178.468 176.117 -0.029 0.000 1.102 250 I CA 1.113 62.392 61.300 -0.036 0.000 1.385 250 I CB -0.218 37.747 38.000 -0.058 0.000 1.064 250 I HN 0.209 nan 8.210 nan 0.000 0.414 251 K N 0.732 121.116 120.400 -0.027 0.000 2.103 251 K HA -0.269 4.051 4.320 -0.000 0.000 0.207 251 K C 1.571 178.164 176.600 -0.011 0.000 1.048 251 K CA 2.185 58.461 56.287 -0.018 0.000 0.930 251 K CB -0.042 32.453 32.500 -0.009 0.000 0.716 251 K HN 0.185 nan 8.250 nan 0.000 0.444 252 D N -0.846 119.549 120.400 -0.009 0.000 2.162 252 D HA -0.026 4.614 4.640 -0.000 0.000 0.205 252 D C 1.483 177.780 176.300 -0.006 0.000 0.964 252 D CA 1.057 55.054 54.000 -0.006 0.000 0.847 252 D CB 0.184 40.982 40.800 -0.004 0.000 0.988 252 D HN 0.125 nan 8.370 nan 0.000 0.480 253 T N -0.914 113.637 114.554 -0.005 0.000 3.035 253 T HA 0.063 4.413 4.350 -0.000 0.000 0.259 253 T C 1.616 176.324 174.700 0.013 0.000 1.078 253 T CA 0.447 62.546 62.100 -0.001 0.000 1.132 253 T CB 0.531 69.395 68.868 -0.006 0.000 0.900 253 T HN -0.083 nan 8.240 nan 0.000 0.480 254 V N 0.187 120.110 119.914 0.016 0.000 3.097 254 V HA 0.223 4.343 4.120 -0.000 0.000 0.223 254 V C 2.130 178.253 176.094 0.047 0.000 1.199 254 V CA 0.269 62.602 62.300 0.055 0.000 1.260 254 V CB -0.467 31.383 31.823 0.046 0.000 1.155 254 V HN 0.254 nan 8.190 nan 0.000 0.509 255 L N 0.112 121.338 121.223 0.005 0.000 1.976 255 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 255 L C 2.590 179.430 176.870 -0.049 0.000 1.071 255 L CA 2.086 56.905 54.840 -0.035 0.000 0.746 255 L CB -0.777 41.256 42.059 -0.044 0.000 0.890 255 L HN 0.368 nan 8.230 nan 0.000 0.432 256 Q N 0.330 120.114 119.800 -0.028 0.000 2.170 256 Q HA -0.194 4.146 4.340 -0.000 0.000 0.203 256 Q C 2.288 178.266 176.000 -0.037 0.000 0.976 256 Q CA 1.495 57.282 55.803 -0.026 0.000 0.858 256 Q CB -0.120 28.611 28.738 -0.012 0.000 0.907 256 Q HN 0.236 nan 8.270 nan 0.000 0.433 257 R N -1.343 119.138 120.500 -0.032 0.000 2.119 257 R HA -0.037 4.303 4.340 -0.000 0.000 0.222 257 R C 1.728 177.987 176.300 -0.068 0.000 1.088 257 R CA 1.571 57.642 56.100 -0.048 0.000 0.984 257 R CB -0.035 30.251 30.300 -0.023 0.000 0.884 257 R HN 0.262 nan 8.270 nan 0.000 0.447 258 T N 0.140 114.678 114.554 -0.026 0.000 2.732 258 T HA -0.075 4.275 4.350 -0.000 0.000 0.261 258 T C 1.780 176.448 174.700 -0.052 0.000 1.040 258 T CA 1.373 63.478 62.100 0.009 0.000 1.145 258 T CB -0.094 68.663 68.868 -0.185 0.000 0.866 258 T HN -0.005 nan 8.240 nan 0.000 0.427 259 V N 2.216 122.060 119.914 -0.117 0.000 2.261 259 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 259 V C 2.354 178.427 176.094 -0.035 0.000 1.047 259 V CA 1.894 64.146 62.300 -0.079 0.000 1.015 259 V CB -0.661 31.129 31.823 -0.055 0.000 0.642 259 V HN 0.410 nan 8.190 nan 0.000 0.446 260 D N 0.645 121.014 120.400 -0.051 0.000 2.123 260 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 260 D C 2.176 178.411 176.300 -0.107 0.000 0.992 260 D CA 1.667 55.632 54.000 -0.058 0.000 0.833 260 D CB -0.732 40.033 40.800 -0.058 0.000 0.954 260 D HN 0.473 nan 8.370 nan 0.000 0.455 261 G N 0.510 109.164 108.800 -0.244 0.000 2.421 261 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.216 261 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.216 261 G C 1.546 176.443 174.900 -0.006 0.000 1.171 261 G CA 0.674 45.390 45.100 -0.641 0.000 0.775 261 G HN 0.095 nan 8.290 nan 0.000 0.543 262 M N 0.462 120.177 119.600 0.191 0.000 2.086 262 M HA -0.092 4.388 4.480 -0.000 0.000 0.261 262 M C 2.522 178.880 176.300 0.096 0.000 1.067 262 M CA 1.629 57.013 55.300 0.140 0.000 1.116 262 M CB -1.126 31.469 32.600 -0.009 0.000 1.348 262 M HN 0.422 nan 8.290 nan 0.000 0.407 263 Q N 0.825 120.655 119.800 0.051 0.000 2.096 263 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 263 Q C 1.895 177.925 176.000 0.050 0.000 0.982 263 Q CA 1.992 57.817 55.803 0.037 0.000 0.850 263 Q CB -0.570 28.180 28.738 0.019 0.000 0.901 263 Q HN 0.615 nan 8.270 nan 0.000 0.422 264 Q N -0.278 119.556 119.800 0.056 0.000 2.369 264 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 264 Q C 0.677 176.744 176.000 0.112 0.000 0.963 264 Q CA 1.141 56.989 55.803 0.076 0.000 0.894 264 Q CB 0.130 28.918 28.738 0.084 0.000 0.965 264 Q HN 0.592 nan 8.270 nan 0.000 0.475 265 E N -1.061 119.229 120.200 0.150 0.000 2.463 265 E HA 0.122 4.472 4.350 -0.000 0.000 0.193 265 E C 0.384 177.054 176.600 0.116 0.000 1.041 265 E CA 0.292 56.791 56.400 0.165 0.000 0.879 265 E CB 0.441 30.301 29.700 0.266 0.000 0.997 265 E HN 0.564 nan 8.360 nan 0.000 0.478 266 G N 2.059 110.908 108.800 0.082 0.000 2.160 266 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.251 266 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.251 266 G C 0.460 175.384 174.900 0.041 0.000 1.008 266 G CA 0.723 45.854 45.100 0.052 0.000 0.724 266 G HN 0.323 nan 8.290 nan 0.000 0.514 267 T N -1.214 113.370 114.554 0.049 0.000 3.410 267 T HA 0.611 4.960 4.350 -0.000 0.000 0.328 267 T C -2.128 172.574 174.700 0.003 0.000 1.567 267 T CA -1.299 60.811 62.100 0.017 0.000 1.626 267 T CB 2.532 71.418 68.868 0.029 0.000 0.939 267 T HN 0.174 nan 8.240 nan 0.000 0.656 268 P HA 0.077 nan 4.420 nan 0.000 0.267 268 P C -1.009 176.274 177.300 -0.029 0.000 1.200 268 P CA -0.193 62.904 63.100 -0.005 0.000 0.772 268 P CB 0.464 32.152 31.700 -0.020 0.000 0.855 269 Y N 2.557 122.788 120.300 -0.116 0.000 2.335 269 Y HA 0.431 4.981 4.550 -0.000 0.000 0.339 269 Y C 0.077 175.890 175.900 -0.146 0.000 0.987 269 Y CA 0.079 58.086 58.100 -0.156 0.000 1.140 269 Y CB 0.961 39.304 38.460 -0.194 0.000 1.173 269 Y HN 0.397 nan 8.280 nan 0.000 0.486 270 T N 2.271 116.555 114.554 -0.451 0.000 2.900 270 T HA 0.866 5.216 4.350 -0.000 0.000 0.295 270 T C 0.125 174.534 174.700 -0.485 0.000 1.044 270 T CA -0.078 61.853 62.100 -0.282 0.000 0.995 270 T CB 1.659 70.382 68.868 -0.242 0.000 1.072 270 T HN 1.318 nan 8.240 nan 0.000 0.473 271 G N 1.947 110.519 108.800 -0.380 0.000 2.541 271 G HA2 0.027 3.986 3.960 -0.000 0.000 0.208 271 G HA3 0.027 3.986 3.960 -0.000 0.000 0.208 271 G C -1.203 173.557 174.900 -0.233 0.000 1.191 271 G CA -0.440 44.164 45.100 -0.827 0.000 1.217 271 G HN 0.983 nan 8.290 nan 0.000 0.566 272 I N 1.212 121.656 120.570 -0.211 0.000 2.378 272 I HA 0.602 4.772 4.170 -0.000 0.000 0.291 272 I C -0.492 175.648 176.117 0.039 0.000 0.992 272 I CA -0.744 60.487 61.300 -0.115 0.000 1.154 272 I CB 1.720 39.534 38.000 -0.309 0.000 1.315 272 I HN 0.539 nan 8.210 nan 0.000 0.448 273 L N 8.234 129.433 121.223 -0.040 0.000 2.307 273 L HA 0.442 4.782 4.340 -0.000 0.000 0.284 273 L C -1.354 175.479 176.870 -0.062 0.000 1.023 273 L CA -0.341 54.410 54.840 -0.148 0.000 0.810 273 L CB 1.042 42.838 42.059 -0.439 0.000 1.231 273 L HN 0.447 nan 8.230 nan 0.000 0.423 274 Y N 4.978 125.223 120.300 -0.091 0.000 2.328 274 Y HA 0.758 5.308 4.550 -0.000 0.000 0.337 274 Y C -0.659 175.274 175.900 0.055 0.000 0.966 274 Y CA -0.783 57.285 58.100 -0.054 0.000 1.136 274 Y CB 1.424 39.852 38.460 -0.052 0.000 1.170 274 Y HN 0.782 nan 8.280 nan 0.000 0.470 275 A N 4.574 127.241 122.820 -0.255 0.000 2.304 275 A HA 0.679 4.998 4.320 -0.000 0.000 0.314 275 A C -0.080 177.270 177.584 -0.390 0.000 1.187 275 A CA -0.336 51.621 52.037 -0.134 0.000 0.810 275 A CB 0.377 19.359 19.000 -0.031 0.000 1.183 275 A HN 1.096 nan 8.150 nan 0.000 0.487 276 G N 1.873 110.592 108.800 -0.134 0.000 2.355 276 G HA2 0.536 4.496 3.960 -0.000 0.000 0.276 276 G HA3 0.536 4.496 3.960 -0.000 0.000 0.276 276 G C -0.374 174.438 174.900 -0.147 0.000 1.198 276 G CA -0.232 44.818 45.100 -0.083 0.000 0.876 276 G HN 0.660 nan 8.290 nan 0.000 0.478 277 I N 2.180 122.662 120.570 -0.148 0.000 2.545 277 I HA 0.305 4.474 4.170 -0.000 0.000 0.292 277 I C -0.542 175.513 176.117 -0.103 0.000 1.040 277 I CA -0.925 60.295 61.300 -0.133 0.000 1.068 277 I CB 2.417 40.333 38.000 -0.140 0.000 1.251 277 I HN 0.364 nan 8.210 nan 0.000 0.424 278 M N 6.862 126.411 119.600 -0.084 0.000 2.180 278 M HA 0.423 4.903 4.480 -0.000 0.000 0.350 278 M C -1.124 175.139 176.300 -0.061 0.000 1.125 278 M CA -0.184 55.077 55.300 -0.065 0.000 1.031 278 M CB 0.942 33.514 32.600 -0.046 0.000 1.623 278 M HN 0.351 nan 8.290 nan 0.000 0.451 279 L N 5.541 126.728 121.223 -0.060 0.000 2.312 279 L HA 0.325 4.665 4.340 -0.000 0.000 0.287 279 L C 0.055 176.907 176.870 -0.030 0.000 1.091 279 L CA -0.382 54.429 54.840 -0.049 0.000 0.846 279 L CB -0.283 41.741 42.059 -0.058 0.000 1.219 279 L HN 0.690 nan 8.230 nan 0.000 0.439 280 T N 0.887 115.427 114.554 -0.023 0.000 2.881 280 T HA 0.243 4.593 4.350 -0.000 0.000 0.278 280 T C 1.510 176.207 174.700 -0.005 0.000 0.982 280 T CA -0.035 62.059 62.100 -0.011 0.000 0.989 280 T CB 1.681 70.543 68.868 -0.010 0.000 1.058 280 T HN 0.682 nan 8.240 nan 0.000 0.529 281 K N 1.018 121.418 120.400 0.001 0.000 2.218 281 K HA -0.133 4.186 4.320 -0.000 0.000 0.205 281 K C 1.551 178.152 176.600 0.000 0.000 1.046 281 K CA 1.724 58.014 56.287 0.004 0.000 0.933 281 K CB -0.822 31.683 32.500 0.007 0.000 0.728 281 K HN 0.519 nan 8.250 nan 0.000 0.454 282 N N -0.450 118.248 118.700 -0.004 0.000 2.398 282 N HA 0.254 4.994 4.740 -0.000 0.000 0.188 282 N C 0.842 176.345 175.510 -0.011 0.000 1.122 282 N CA 0.873 53.919 53.050 -0.007 0.000 0.866 282 N CB 0.749 39.230 38.487 -0.010 0.000 0.970 282 N HN 0.769 nan 8.380 nan 0.000 0.462 283 G N 0.213 109.006 108.800 -0.012 0.000 2.409 283 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.421 283 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.421 283 G C -3.088 171.797 174.900 -0.025 0.000 1.259 283 G CA -1.100 43.990 45.100 -0.017 0.000 1.011 283 G HN 0.001 nan 8.290 nan 0.000 0.497 284 P HA 0.454 nan 4.420 nan 0.000 0.287 284 P C -0.746 176.527 177.300 -0.044 0.000 1.294 284 P CA 0.084 63.157 63.100 -0.043 0.000 0.776 284 P CB 0.951 32.623 31.700 -0.046 0.000 0.889 285 K N 1.720 122.087 120.400 -0.054 0.000 2.371 285 K HA 0.496 4.816 4.320 -0.000 0.000 0.251 285 K C -0.821 175.722 176.600 -0.095 0.000 0.934 285 K CA -1.182 55.069 56.287 -0.060 0.000 0.798 285 K CB 2.265 34.740 32.500 -0.042 0.000 1.204 285 K HN 0.086 nan 8.250 nan 0.000 0.427 286 V N 4.564 124.400 119.914 -0.129 0.000 2.432 286 V HA 0.081 4.201 4.120 -0.000 0.000 0.271 286 V C 1.257 177.221 176.094 -0.216 0.000 1.046 286 V CA -0.135 62.029 62.300 -0.227 0.000 0.945 286 V CB 0.594 32.197 31.823 -0.368 0.000 0.992 286 V HN 0.723 nan 8.190 nan 0.000 0.471 287 L N 3.705 124.812 121.223 -0.193 0.000 2.202 287 L HA 0.252 4.592 4.340 -0.000 0.000 0.205 287 L C 0.747 177.515 176.870 -0.170 0.000 1.083 287 L CA 0.683 55.441 54.840 -0.137 0.000 0.790 287 L CB 0.057 42.069 42.059 -0.079 0.000 0.942 287 L HN 0.885 nan 8.230 nan 0.000 0.452 288 E N -1.602 118.456 120.200 -0.237 0.000 2.396 288 E HA 0.395 4.745 4.350 -0.000 0.000 0.280 288 E C -1.505 174.916 176.600 -0.299 0.000 1.065 288 E CA -0.786 55.478 56.400 -0.226 0.000 0.831 288 E CB 0.921 30.580 29.700 -0.067 0.000 1.272 288 E HN -0.252 nan 8.360 nan 0.000 0.443 289 F N 0.747 120.721 119.950 0.040 0.000 2.432 289 F HA 0.574 5.101 4.527 -0.000 0.000 0.329 289 F C 0.382 176.208 175.800 0.043 0.000 1.076 289 F CA -0.515 57.519 58.000 0.058 0.000 1.018 289 F CB 1.906 40.893 39.000 -0.021 0.000 1.201 289 F HN 0.570 nan 8.300 nan 0.000 0.489 290 N N -0.629 118.249 118.700 0.296 0.000 2.571 290 N HA 0.501 5.241 4.740 -0.000 0.000 0.273 290 N C -1.392 174.184 175.510 0.110 0.000 1.340 290 N CA -0.677 52.412 53.050 0.065 0.000 0.789 290 N CB 1.739 40.066 38.487 -0.265 0.000 1.514 290 N HN 0.586 nan 8.380 nan 0.000 0.499 291 C N 1.392 120.720 119.300 0.046 0.000 2.742 291 C HA 0.455 4.915 4.460 -0.000 0.000 0.283 291 C C -0.270 174.720 174.990 0.000 0.000 1.451 291 C CA -0.426 58.640 59.018 0.080 0.000 1.785 291 C CB -1.789 25.987 27.740 0.060 0.000 2.664 291 C HN 0.568 nan 8.230 nan 0.000 0.544 292 R N -1.347 119.141 120.500 -0.020 0.000 2.752 292 R HA 0.308 4.648 4.340 -0.000 0.000 0.277 292 R C -1.468 174.819 176.300 -0.022 0.000 1.024 292 R CA -0.613 55.475 56.100 -0.020 0.000 0.866 292 R CB -0.012 30.309 30.300 0.035 0.000 1.278 292 R HN -0.004 nan 8.270 nan 0.000 0.473 293 F N 0.761 120.751 119.950 0.067 0.000 2.553 293 F HA 0.398 4.925 4.527 -0.000 0.000 0.356 293 F C 1.739 177.547 175.800 0.013 0.000 1.142 293 F CA 1.895 59.936 58.000 0.067 0.000 1.322 293 F CB 0.585 39.623 39.000 0.063 0.000 1.126 293 F HN 0.680 nan 8.300 nan 0.000 0.599 294 G N 1.037 109.985 108.800 0.246 0.000 2.572 294 G HA2 0.293 4.253 3.960 -0.000 0.000 0.261 294 G HA3 0.293 4.253 3.960 -0.000 0.000 0.261 294 G C -1.432 173.528 174.900 0.099 0.000 1.197 294 G CA -0.397 44.755 45.100 0.088 0.000 0.870 294 G HN 0.552 nan 8.290 nan 0.000 0.548 295 D N -0.004 120.423 120.400 0.045 0.000 2.549 295 D HA 0.369 5.009 4.640 -0.000 0.000 0.251 295 D C -1.831 174.490 176.300 0.035 0.000 1.153 295 D CA -1.815 52.203 54.000 0.030 0.000 0.861 295 D CB 2.463 43.275 40.800 0.021 0.000 1.207 295 D HN 0.097 nan 8.370 nan 0.000 0.543 296 P HA 0.219 nan 4.420 nan 0.000 0.266 296 P C 0.634 177.946 177.300 0.020 0.000 1.381 296 P CA 0.036 63.150 63.100 0.024 0.000 0.940 296 P CB 0.724 32.449 31.700 0.043 0.000 1.435 297 E N -0.294 119.932 120.200 0.044 0.000 2.085 297 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 297 E C 1.871 178.489 176.600 0.030 0.000 0.994 297 E CA 1.190 57.623 56.400 0.055 0.000 0.801 297 E CB -0.690 29.078 29.700 0.114 0.000 0.743 297 E HN 0.223 nan 8.360 nan 0.000 0.453 298 C N 1.074 120.364 119.300 -0.017 0.000 2.391 298 C HA -0.214 4.246 4.460 -0.000 0.000 0.276 298 C C 2.417 177.228 174.990 -0.298 0.000 1.217 298 C CA 1.397 60.244 59.018 -0.284 0.000 1.766 298 C CB -0.751 26.754 27.740 -0.392 0.000 2.046 298 C HN 0.410 nan 8.230 nan 0.000 0.475 299 Q N 0.028 119.680 119.800 -0.248 0.000 2.508 299 Q HA -0.065 4.275 4.340 -0.000 0.000 0.214 299 Q C 1.792 177.777 176.000 -0.024 0.000 0.979 299 Q CA 1.707 57.356 55.803 -0.257 0.000 0.911 299 Q CB -0.041 28.642 28.738 -0.091 0.000 0.969 299 Q HN 0.851 nan 8.270 nan 0.000 0.504 300 V N -5.353 114.567 119.914 0.010 0.000 3.562 300 V HA 0.204 4.324 4.120 -0.000 0.000 0.270 300 V C 1.479 177.642 176.094 0.114 0.000 1.418 300 V CA 0.104 62.455 62.300 0.085 0.000 1.033 300 V CB -0.079 31.802 31.823 0.097 0.000 0.820 300 V HN 0.170 nan 8.190 nan 0.000 0.441 301 I N 0.319 120.947 120.570 0.097 0.000 2.339 301 I HA -0.007 4.163 4.170 -0.000 0.000 0.245 301 I C 2.453 178.767 176.117 0.328 0.000 1.096 301 I CA 1.445 62.866 61.300 0.200 0.000 1.408 301 I CB -0.090 38.060 38.000 0.250 0.000 1.092 301 I HN 0.203 nan 8.210 nan 0.000 0.423 302 L N 0.784 122.114 121.223 0.178 0.000 2.093 302 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 302 L C -0.449 176.627 176.870 0.344 0.000 1.085 302 L CA 1.250 56.233 54.840 0.240 0.000 0.755 302 L CB -1.801 40.292 42.059 0.057 0.000 0.904 302 L HN 0.182 nan 8.230 nan 0.000 0.435 303 P HA -0.146 nan 4.420 nan 0.000 0.226 303 P C 1.540 179.035 177.300 0.325 0.000 1.146 303 P CA 1.229 64.594 63.100 0.441 0.000 0.773 303 P CB 0.069 31.974 31.700 0.342 0.000 0.772 304 L N -2.313 119.121 121.223 0.351 0.000 2.529 304 L HA 0.098 4.438 4.340 -0.000 0.000 0.223 304 L C 0.843 177.966 176.870 0.423 0.000 1.113 304 L CA -0.368 54.705 54.840 0.389 0.000 0.861 304 L CB -0.124 42.195 42.059 0.433 0.000 1.012 304 L HN 0.006 nan 8.230 nan 0.000 0.461 305 L N 0.573 121.968 121.223 0.288 0.000 2.369 305 L HA 0.069 4.409 4.340 -0.000 0.000 0.279 305 L C 1.173 177.972 176.870 -0.118 0.000 1.108 305 L CA 0.616 55.383 54.840 -0.122 0.000 0.852 305 L CB 0.497 42.443 42.059 -0.189 0.000 1.169 305 L HN -0.020 nan 8.230 nan 0.000 0.452 306 K N 1.858 122.155 120.400 -0.172 0.000 2.137 306 K HA 0.081 4.401 4.320 -0.000 0.000 0.202 306 K C 0.734 177.251 176.600 -0.140 0.000 1.052 306 K CA 0.429 56.652 56.287 -0.107 0.000 0.961 306 K CB 0.106 32.568 32.500 -0.063 0.000 0.741 306 K HN 0.748 nan 8.250 nan 0.000 0.452 307 S N 1.765 117.334 115.700 -0.218 0.000 2.572 307 S HA -0.078 4.392 4.470 -0.000 0.000 0.267 307 S C 0.085 174.598 174.600 -0.145 0.000 1.361 307 S CA -0.353 57.735 58.200 -0.185 0.000 1.009 307 S CB 0.375 63.420 63.200 -0.259 0.000 0.888 307 S HN 0.183 nan 8.310 nan 0.000 0.553 308 D N 0.637 120.985 120.400 -0.088 0.000 2.346 308 D HA 0.042 4.682 4.640 -0.000 0.000 0.260 308 D C 0.782 177.036 176.300 -0.077 0.000 1.252 308 D CA -0.400 53.580 54.000 -0.033 0.000 0.895 308 D CB 0.590 41.435 40.800 0.076 0.000 1.097 308 D HN 0.358 nan 8.370 nan 0.000 0.489 309 L N 6.333 127.513 121.223 -0.073 0.000 2.127 309 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 309 L C 1.744 178.575 176.870 -0.066 0.000 1.089 309 L CA 1.626 56.409 54.840 -0.095 0.000 0.757 309 L CB -0.978 41.074 42.059 -0.013 0.000 0.899 309 L HN 0.613 nan 8.230 nan 0.000 0.434 310 Y N 0.319 120.583 120.300 -0.060 0.000 2.200 310 Y HA -0.224 4.326 4.550 -0.000 0.000 0.290 310 Y C 2.331 178.169 175.900 -0.103 0.000 1.137 310 Y CA 2.062 60.175 58.100 0.021 0.000 1.163 310 Y CB -0.080 38.417 38.460 0.061 0.000 0.988 310 Y HN 0.350 nan 8.280 nan 0.000 0.518 311 E N -0.446 119.730 120.200 -0.040 0.000 2.077 311 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 311 E C 2.239 178.659 176.600 -0.300 0.000 0.989 311 E CA 1.640 57.925 56.400 -0.191 0.000 0.800 311 E CB -0.275 29.365 29.700 -0.100 0.000 0.746 311 E HN 0.369 nan 8.360 nan 0.000 0.452 312 V N 1.666 121.380 119.914 -0.334 0.000 2.261 312 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 312 V C 2.299 178.106 176.094 -0.477 0.000 1.047 312 V CA 1.630 63.664 62.300 -0.443 0.000 1.015 312 V CB -0.451 30.970 31.823 -0.669 0.000 0.642 312 V HN 0.248 nan 8.190 nan 0.000 0.446 313 I N -0.303 119.915 120.570 -0.587 0.000 2.127 313 I HA -0.313 3.856 4.170 -0.000 0.000 0.241 313 I C 2.684 178.369 176.117 -0.720 0.000 1.075 313 I CA 1.877 62.703 61.300 -0.791 0.000 1.334 313 I CB -0.475 36.873 38.000 -1.086 0.000 1.040 313 I HN 0.329 nan 8.210 nan 0.000 0.405 314 Q N 1.270 120.611 119.800 -0.765 0.000 2.061 314 Q HA -0.214 4.125 4.340 -0.000 0.000 0.204 314 Q C 2.342 178.141 176.000 -0.335 0.000 0.984 314 Q CA 2.672 58.120 55.803 -0.592 0.000 0.846 314 Q CB -0.361 28.027 28.738 -0.583 0.000 0.902 314 Q HN 0.610 nan 8.270 nan 0.000 0.421 315 S N -1.977 113.553 115.700 -0.283 0.000 2.423 315 S HA -0.101 4.369 4.470 -0.000 0.000 0.231 315 S C 1.971 176.494 174.600 -0.128 0.000 1.014 315 S CA 1.306 59.402 58.200 -0.174 0.000 0.965 315 S CB -0.638 62.471 63.200 -0.152 0.000 0.785 315 S HN 0.381 nan 8.310 nan 0.000 0.495 316 T N 3.030 117.504 114.554 -0.133 0.000 2.777 316 T HA 0.156 4.505 4.350 -0.000 0.000 0.266 316 T C 1.689 176.379 174.700 -0.017 0.000 1.040 316 T CA 1.357 63.448 62.100 -0.015 0.000 1.141 316 T CB -0.515 68.442 68.868 0.148 0.000 0.868 316 T HN 0.327 nan 8.240 nan 0.000 0.444 317 L N 0.980 122.161 121.223 -0.071 0.000 2.042 317 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 317 L C 2.079 178.911 176.870 -0.064 0.000 1.076 317 L CA 1.165 55.962 54.840 -0.072 0.000 0.749 317 L CB -0.552 41.427 42.059 -0.133 0.000 0.893 317 L HN 0.139 nan 8.230 nan 0.000 0.432 318 D N 0.108 120.462 120.400 -0.077 0.000 2.363 318 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 318 D C 1.518 177.794 176.300 -0.040 0.000 1.020 318 D CA 0.979 54.947 54.000 -0.054 0.000 0.892 318 D CB 0.009 40.775 40.800 -0.058 0.000 0.900 318 D HN 0.380 nan 8.370 nan 0.000 0.531 319 G N 0.744 109.522 108.800 -0.037 0.000 2.198 319 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.257 319 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.257 319 G C 0.449 175.336 174.900 -0.022 0.000 1.042 319 G CA 0.040 45.126 45.100 -0.023 0.000 0.791 319 G HN 0.432 nan 8.290 nan 0.000 0.502 320 L N -0.463 120.740 121.223 -0.032 0.000 3.288 320 L HA 0.311 4.651 4.340 -0.000 0.000 0.293 320 L C 2.074 178.922 176.870 -0.037 0.000 1.294 320 L CA -0.620 54.201 54.840 -0.032 0.000 1.006 320 L CB 0.393 42.430 42.059 -0.038 0.000 1.407 320 L HN 0.212 nan 8.230 nan 0.000 0.592 321 L N 1.206 122.413 121.223 -0.027 0.000 2.051 321 L HA -0.267 4.073 4.340 -0.000 0.000 0.214 321 L C 2.648 179.505 176.870 -0.023 0.000 1.076 321 L CA 2.509 57.334 54.840 -0.026 0.000 0.758 321 L CB -0.486 41.583 42.059 0.016 0.000 0.890 321 L HN 0.661 nan 8.230 nan 0.000 0.433 322 C N -3.858 115.437 119.300 -0.008 0.000 2.449 322 C HA -0.033 4.427 4.460 -0.000 0.000 0.283 322 C C 2.502 177.483 174.990 -0.014 0.000 1.453 322 C CA 0.629 59.645 59.018 -0.002 0.000 1.779 322 C CB -2.183 25.560 27.740 0.005 0.000 1.779 322 C HN 0.623 nan 8.230 nan 0.000 0.546 323 T N -0.167 114.372 114.554 -0.026 0.000 3.088 323 T HA 0.054 4.404 4.350 -0.000 0.000 0.259 323 T C 1.043 175.716 174.700 -0.044 0.000 1.122 323 T CA 1.533 63.615 62.100 -0.030 0.000 1.095 323 T CB -0.321 68.528 68.868 -0.032 0.000 0.930 323 T HN 0.628 nan 8.240 nan 0.000 0.508 324 S N 0.798 116.461 115.700 -0.060 0.000 2.598 324 S HA 0.405 4.875 4.470 -0.000 0.000 0.209 324 S C -0.317 174.220 174.600 -0.106 0.000 1.029 324 S CA -0.596 57.552 58.200 -0.088 0.000 1.172 324 S CB -0.471 62.657 63.200 -0.119 0.000 1.427 324 S HN 0.332 nan 8.310 nan 0.000 0.418 325 L N 3.531 124.716 121.223 -0.064 0.000 2.525 325 L HA 0.260 4.600 4.340 -0.000 0.000 0.278 325 L C -1.663 175.147 176.870 -0.100 0.000 1.218 325 L CA -1.149 53.665 54.840 -0.044 0.000 0.878 325 L CB 0.159 42.224 42.059 0.010 0.000 1.127 325 L HN 0.357 nan 8.230 nan 0.000 0.492 326 P HA 0.119 nan 4.420 nan 0.000 0.271 326 P C -0.863 176.229 177.300 -0.347 0.000 1.216 326 P CA -0.192 62.717 63.100 -0.317 0.000 0.776 326 P CB 1.140 32.633 31.700 -0.345 0.000 0.881 327 V N 3.372 123.010 119.914 -0.461 0.000 2.459 327 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 327 V C -0.359 175.468 176.094 -0.446 0.000 1.029 327 V CA -0.375 61.751 62.300 -0.289 0.000 0.874 327 V CB 1.210 32.960 31.823 -0.122 0.000 0.985 327 V HN 0.574 nan 8.190 nan 0.000 0.438 328 W N 3.307 124.655 121.300 0.080 0.000 2.647 328 W HA 0.652 5.312 4.660 -0.000 0.000 0.353 328 W C -0.404 176.172 176.519 0.095 0.000 1.080 328 W CA -0.930 56.473 57.345 0.097 0.000 1.208 328 W CB 1.270 30.795 29.460 0.108 0.000 1.396 328 W HN 0.293 nan 8.180 nan 0.000 0.573 329 L N 2.788 124.233 121.223 0.371 0.000 2.385 329 L HA 0.201 4.541 4.340 -0.000 0.000 0.281 329 L C 0.008 177.069 176.870 0.319 0.000 1.106 329 L CA -0.054 54.948 54.840 0.270 0.000 0.856 329 L CB -0.455 41.717 42.059 0.188 0.000 1.186 329 L HN 0.396 nan 8.230 nan 0.000 0.453 330 E N 4.175 124.546 120.200 0.285 0.000 2.283 330 E HA 0.316 4.666 4.350 -0.000 0.000 0.267 330 E C 0.284 177.011 176.600 0.212 0.000 1.045 330 E CA -0.470 56.066 56.400 0.225 0.000 0.884 330 E CB 0.535 30.333 29.700 0.163 0.000 1.106 330 E HN 0.558 nan 8.360 nan 0.000 0.408 331 N N 1.035 119.790 118.700 0.092 0.000 2.741 331 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 331 N C -1.167 174.186 175.510 -0.261 0.000 1.112 331 N CA 1.015 54.030 53.050 -0.059 0.000 0.750 331 N CB -1.475 36.946 38.487 -0.111 0.000 1.119 331 N HN 0.468 nan 8.380 nan 0.000 0.561 332 H N -0.852 118.274 119.070 0.092 0.000 2.637 332 H HA 0.515 5.071 4.556 -0.000 0.000 0.363 332 H C -0.215 175.174 175.328 0.102 0.000 1.131 332 H CA -0.194 55.911 56.048 0.096 0.000 1.183 332 H CB 1.599 31.427 29.762 0.110 0.000 1.637 332 H HN -0.149 nan 8.280 nan 0.000 0.531 333 T N 1.736 116.409 114.554 0.198 0.000 2.807 333 T HA 0.662 5.012 4.350 -0.000 0.000 0.279 333 T C -0.317 174.490 174.700 0.178 0.000 0.993 333 T CA -0.741 61.460 62.100 0.167 0.000 0.970 333 T CB 1.117 70.055 68.868 0.117 0.000 0.950 333 T HN 0.702 nan 8.240 nan 0.000 0.441 334 A N 3.484 126.414 122.820 0.183 0.000 2.305 334 A HA 0.856 5.176 4.320 -0.000 0.000 0.322 334 A C -0.750 176.946 177.584 0.186 0.000 1.187 334 A CA -0.659 51.481 52.037 0.171 0.000 0.825 334 A CB 0.488 19.593 19.000 0.173 0.000 1.164 334 A HN 0.852 nan 8.150 nan 0.000 0.498 335 L N 1.671 122.990 121.223 0.160 0.000 2.422 335 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 335 L C -0.500 176.449 176.870 0.132 0.000 0.984 335 L CA -0.082 54.868 54.840 0.183 0.000 0.819 335 L CB 2.509 44.659 42.059 0.152 0.000 1.330 335 L HN 0.715 nan 8.230 nan 0.000 0.410 336 T N 2.969 117.608 114.554 0.142 0.000 2.912 336 T HA 0.736 5.086 4.350 -0.000 0.000 0.299 336 T C -1.682 173.074 174.700 0.092 0.000 1.052 336 T CA -0.349 61.810 62.100 0.099 0.000 0.996 336 T CB 1.585 70.516 68.868 0.104 0.000 1.070 336 T HN 0.345 nan 8.240 nan 0.000 0.465 337 V N 4.548 124.491 119.914 0.049 0.000 2.525 337 V HA 0.485 4.605 4.120 -0.000 0.000 0.299 337 V C -0.119 175.987 176.094 0.020 0.000 1.034 337 V CA -0.851 61.477 62.300 0.046 0.000 0.863 337 V CB 1.875 33.711 31.823 0.022 0.000 0.999 337 V HN 0.768 nan 8.190 nan 0.000 0.423 338 V N 6.124 126.070 119.914 0.053 0.000 2.546 338 V HA 0.397 4.517 4.120 -0.000 0.000 0.284 338 V C 0.273 176.402 176.094 0.058 0.000 1.050 338 V CA -0.152 62.168 62.300 0.035 0.000 0.981 338 V CB 1.485 33.330 31.823 0.037 0.000 0.990 338 V HN 0.809 nan 8.190 nan 0.000 0.474 339 M N 4.721 124.346 119.600 0.042 0.000 2.180 339 M HA 0.678 5.158 4.480 -0.000 0.000 0.350 339 M C -0.091 176.293 176.300 0.141 0.000 1.125 339 M CA -0.122 55.261 55.300 0.138 0.000 1.031 339 M CB 1.621 34.327 32.600 0.177 0.000 1.623 339 M HN 0.714 nan 8.290 nan 0.000 0.451 340 A N 2.098 125.008 122.820 0.149 0.000 2.386 340 A HA 0.826 5.146 4.320 -0.000 0.000 0.308 340 A C -0.485 177.202 177.584 0.172 0.000 1.128 340 A CA -0.725 51.312 52.037 0.001 0.000 0.789 340 A CB 1.294 20.225 19.000 -0.116 0.000 1.325 340 A HN 0.704 nan 8.150 nan 0.000 0.437 341 S N 0.862 116.590 115.700 0.048 0.000 2.565 341 S HA 0.316 4.786 4.470 -0.000 0.000 0.274 341 S C 0.193 174.916 174.600 0.205 0.000 1.309 341 S CA -0.458 57.853 58.200 0.186 0.000 1.043 341 S CB 0.739 63.956 63.200 0.029 0.000 0.939 341 S HN 0.607 nan 8.310 nan 0.000 0.504 342 K N 1.612 122.140 120.400 0.213 0.000 2.511 342 K HA 0.173 4.493 4.320 -0.000 0.000 0.277 342 K C 1.314 178.047 176.600 0.221 0.000 1.025 342 K CA 1.449 57.840 56.287 0.173 0.000 1.112 342 K CB -0.713 31.870 32.500 0.138 0.000 0.859 342 K HN 0.865 nan 8.250 nan 0.000 0.485 343 G N 3.006 111.919 108.800 0.189 0.000 2.284 343 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.230 343 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.230 343 G C -0.108 174.936 174.900 0.241 0.000 1.021 343 G CA 0.140 45.355 45.100 0.193 0.000 0.619 343 G HN 0.692 nan 8.290 nan 0.000 0.510 344 Y N 4.126 124.522 120.300 0.159 0.000 2.904 344 Y HA 0.327 4.877 4.550 -0.000 0.000 0.336 344 Y C -0.693 175.253 175.900 0.076 0.000 1.263 344 Y CA 0.040 58.203 58.100 0.105 0.000 1.547 344 Y CB 0.945 39.393 38.460 -0.019 0.000 1.272 344 Y HN 0.122 nan 8.280 nan 0.000 0.596 345 P HA 0.156 nan 4.420 nan 0.000 0.257 345 P C 0.448 177.655 177.300 -0.155 0.000 1.281 345 P CA 0.549 63.202 63.100 -0.745 0.000 0.826 345 P CB 0.225 31.460 31.700 -0.775 0.000 1.237 346 G N 0.229 109.022 108.800 -0.011 0.000 2.624 346 G HA2 0.104 4.064 3.960 -0.000 0.000 0.217 346 G HA3 0.104 4.064 3.960 -0.000 0.000 0.217 346 G C -0.543 174.447 174.900 0.150 0.000 1.506 346 G CA -0.278 44.855 45.100 0.054 0.000 1.072 346 G HN -0.026 nan 8.290 nan 0.000 0.568 347 D N 0.267 120.705 120.400 0.062 0.000 2.424 347 D HA 0.413 5.053 4.640 -0.000 0.000 0.244 347 D C -0.417 175.922 176.300 0.066 0.000 1.134 347 D CA 0.679 54.660 54.000 -0.032 0.000 0.881 347 D CB 0.786 41.554 40.800 -0.054 0.000 1.191 347 D HN 0.330 nan 8.370 nan 0.000 0.445 348 Y N -1.763 118.582 120.300 0.074 0.000 2.638 348 Y HA 0.555 5.105 4.550 -0.000 0.000 0.339 348 Y C 0.048 175.989 175.900 0.068 0.000 1.084 348 Y CA -1.393 56.760 58.100 0.088 0.000 1.068 348 Y CB 0.639 39.176 38.460 0.128 0.000 1.294 348 Y HN 0.156 nan 8.280 nan 0.000 0.480 349 T N 1.044 115.783 114.554 0.308 0.000 2.913 349 T HA 0.506 4.856 4.350 -0.000 0.000 0.287 349 T C -0.857 174.006 174.700 0.271 0.000 1.008 349 T CA -0.514 61.704 62.100 0.198 0.000 1.067 349 T CB 0.343 69.306 68.868 0.159 0.000 0.996 349 T HN 0.690 nan 8.240 nan 0.000 0.513 350 K N 1.154 121.654 120.400 0.167 0.000 2.443 350 K HA 0.570 4.890 4.320 -0.000 0.000 0.251 350 K C 0.526 177.188 176.600 0.104 0.000 0.972 350 K CA -0.512 55.871 56.287 0.162 0.000 0.833 350 K CB 1.811 34.407 32.500 0.159 0.000 1.317 350 K HN 0.892 nan 8.250 nan 0.000 0.441 351 G N 0.148 108.999 108.800 0.084 0.000 2.136 351 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 351 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 351 G C -0.245 174.683 174.900 0.046 0.000 0.989 351 G CA -0.112 45.020 45.100 0.054 0.000 0.682 351 G HN 0.303 nan 8.290 nan 0.000 0.522 352 V N 0.865 120.806 119.914 0.045 0.000 2.465 352 V HA 0.431 4.551 4.120 -0.000 0.000 0.279 352 V C 0.855 176.976 176.094 0.044 0.000 1.045 352 V CA -0.260 62.081 62.300 0.068 0.000 0.938 352 V CB 1.731 33.630 31.823 0.126 0.000 0.986 352 V HN 0.504 nan 8.190 nan 0.000 0.467 353 E N 4.840 125.088 120.200 0.080 0.000 2.360 353 E HA 0.332 4.682 4.350 -0.000 0.000 0.269 353 E C -0.999 175.682 176.600 0.135 0.000 1.022 353 E CA -0.311 56.140 56.400 0.085 0.000 0.887 353 E CB 0.708 30.459 29.700 0.086 0.000 0.990 353 E HN 0.585 nan 8.360 nan 0.000 0.426 354 I N 4.020 124.671 120.570 0.135 0.000 2.404 354 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 354 I C 0.024 176.322 176.117 0.302 0.000 0.992 354 I CA -0.581 60.851 61.300 0.220 0.000 1.149 354 I CB 1.937 39.987 38.000 0.083 0.000 1.315 354 I HN 0.596 nan 8.210 nan 0.000 0.446 355 T N 0.497 115.210 114.554 0.264 0.000 2.907 355 T HA 0.701 5.050 4.350 -0.000 0.000 0.290 355 T C 0.687 175.446 174.700 0.099 0.000 1.066 355 T CA -0.110 62.072 62.100 0.137 0.000 1.012 355 T CB 1.842 70.749 68.868 0.064 0.000 1.184 355 T HN 1.016 nan 8.240 nan 0.000 0.522 356 G N 0.588 109.337 108.800 -0.085 0.000 2.225 356 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.254 356 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.254 356 G C 0.637 175.492 174.900 -0.075 0.000 0.988 356 G CA 0.704 45.758 45.100 -0.077 0.000 0.625 356 G HN 1.307 nan 8.290 nan 0.000 0.527 357 F N 0.734 120.681 119.950 -0.005 0.000 2.216 357 F HA 0.184 4.710 4.527 -0.000 0.000 0.300 357 F C 0.258 176.053 175.800 -0.007 0.000 1.085 357 F CA 1.058 59.044 58.000 -0.023 0.000 1.326 357 F CB -1.810 37.165 39.000 -0.041 0.000 1.027 357 F HN 0.252 nan 8.300 nan 0.000 0.497 358 P HA -0.175 nan 4.420 nan 0.000 0.215 358 P C 1.421 178.656 177.300 -0.109 0.000 1.157 358 P CA 2.032 64.995 63.100 -0.228 0.000 0.863 358 P CB -0.193 31.312 31.700 -0.325 0.000 0.787 359 E N 0.154 120.284 120.200 -0.116 0.000 2.150 359 E HA -0.128 4.222 4.350 -0.000 0.000 0.193 359 E C 1.996 178.571 176.600 -0.042 0.000 0.985 359 E CA 1.411 57.772 56.400 -0.065 0.000 0.814 359 E CB -1.279 28.386 29.700 -0.060 0.000 0.752 359 E HN 0.160 nan 8.360 nan 0.000 0.466 360 A N 2.236 125.035 122.820 -0.035 0.000 1.883 360 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 360 A C 2.315 179.877 177.584 -0.036 0.000 1.186 360 A CA 1.937 53.955 52.037 -0.031 0.000 0.624 360 A CB -0.628 18.358 19.000 -0.024 0.000 0.822 360 A HN 0.246 nan 8.150 nan 0.000 0.444 361 Q N 0.073 119.859 119.800 -0.024 0.000 2.084 361 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 361 Q C 2.124 178.113 176.000 -0.018 0.000 0.978 361 Q CA 2.013 57.798 55.803 -0.030 0.000 0.844 361 Q CB -0.508 28.230 28.738 -0.001 0.000 0.898 361 Q HN 0.549 nan 8.270 nan 0.000 0.426 362 A N 0.820 123.630 122.820 -0.016 0.000 2.070 362 A HA -0.080 4.239 4.320 -0.000 0.000 0.220 362 A C 2.119 179.698 177.584 -0.009 0.000 1.159 362 A CA 0.852 52.883 52.037 -0.010 0.000 0.656 362 A CB -0.533 18.457 19.000 -0.017 0.000 0.800 362 A HN 0.436 nan 8.150 nan 0.000 0.453 363 L N -1.318 119.896 121.223 -0.015 0.000 2.610 363 L HA 0.129 4.469 4.340 -0.000 0.000 0.232 363 L C 1.549 178.415 176.870 -0.007 0.000 1.149 363 L CA 0.618 55.451 54.840 -0.011 0.000 0.872 363 L CB -0.182 41.867 42.059 -0.017 0.000 0.992 363 L HN 0.588 nan 8.230 nan 0.000 0.447 364 G N 0.007 108.802 108.800 -0.008 0.000 2.131 364 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.201 364 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.201 364 G C -0.164 174.727 174.900 -0.016 0.000 1.000 364 G CA -0.417 44.684 45.100 0.001 0.000 0.680 364 G HN 0.176 nan 8.290 nan 0.000 0.514 365 L N -0.046 121.147 121.223 -0.051 0.000 2.313 365 L HA 0.745 5.085 4.340 -0.000 0.000 0.268 365 L C 0.036 176.789 176.870 -0.195 0.000 1.010 365 L CA -1.309 53.471 54.840 -0.100 0.000 0.814 365 L CB 1.206 43.204 42.059 -0.101 0.000 1.304 365 L HN -0.040 nan 8.230 nan 0.000 0.441 366 E N 1.274 121.266 120.200 -0.346 0.000 2.191 366 E HA 0.390 4.740 4.350 -0.000 0.000 0.278 366 E C -1.097 175.029 176.600 -0.790 0.000 0.972 366 E CA -0.539 55.431 56.400 -0.716 0.000 0.804 366 E CB 2.414 31.397 29.700 -1.196 0.000 1.110 366 E HN 0.146 nan 8.360 nan 0.000 0.394 367 V N 4.066 123.547 119.914 -0.723 0.000 2.334 367 V HA 0.295 4.415 4.120 -0.000 0.000 0.281 367 V C -0.720 175.024 176.094 -0.584 0.000 1.016 367 V CA -0.679 61.323 62.300 -0.498 0.000 0.832 367 V CB -0.038 31.698 31.823 -0.145 0.000 0.999 367 V HN 0.430 nan 8.190 nan 0.000 0.439 368 F N 3.325 123.134 119.950 -0.235 0.000 2.388 368 F HA 0.478 5.005 4.527 -0.000 0.000 0.358 368 F C 0.864 176.707 175.800 0.071 0.000 1.122 368 F CA -0.683 57.154 58.000 -0.271 0.000 1.056 368 F CB 0.547 39.342 39.000 -0.341 0.000 1.155 368 F HN 0.465 nan 8.300 nan 0.000 0.461 369 H N 2.057 121.360 119.070 0.389 0.000 2.610 369 H HA 0.495 5.051 4.556 -0.000 0.000 0.336 369 H C 0.212 175.592 175.328 0.086 0.000 1.087 369 H CA -0.108 56.019 56.048 0.132 0.000 1.405 369 H CB 1.595 31.381 29.762 0.041 0.000 1.460 369 H HN 0.842 nan 8.280 nan 0.000 0.538 370 A N 3.147 126.010 122.820 0.072 0.000 2.579 370 A HA 0.285 4.605 4.320 -0.000 0.000 0.220 370 A C 1.400 178.974 177.584 -0.017 0.000 2.352 370 A CA 0.443 52.489 52.037 0.015 0.000 1.183 370 A CB -0.640 18.328 19.000 -0.053 0.000 1.311 370 A HN 0.696 nan 8.150 nan 0.000 0.534 371 G N 1.466 110.208 108.800 -0.098 0.000 3.064 371 G HA2 0.456 4.416 3.960 -0.000 0.000 0.286 371 G HA3 0.456 4.416 3.960 -0.000 0.000 0.286 371 G C 0.051 174.909 174.900 -0.070 0.000 0.834 371 G CA 0.660 45.702 45.100 -0.096 0.000 1.856 371 G HN 0.838 nan 8.290 nan 0.000 0.559 372 T N -1.675 112.884 114.554 0.008 0.000 2.916 372 T HA 0.841 5.191 4.350 -0.000 0.000 0.292 372 T C -0.402 174.320 174.700 0.037 0.000 1.055 372 T CA -0.555 61.539 62.100 -0.010 0.000 1.009 372 T CB 2.592 71.438 68.868 -0.036 0.000 1.118 372 T HN 0.970 nan 8.240 nan 0.000 0.497 373 A N 1.716 124.524 122.820 -0.019 0.000 2.587 373 A HA 0.755 5.075 4.320 -0.000 0.000 0.293 373 A C -1.027 176.520 177.584 -0.061 0.000 1.087 373 A CA -1.068 50.920 52.037 -0.082 0.000 0.692 373 A CB 1.256 20.112 19.000 -0.240 0.000 1.291 373 A HN 0.938 nan 8.150 nan 0.000 0.407 374 L N 1.146 122.333 121.223 -0.061 0.000 2.326 374 L HA 0.566 4.906 4.340 -0.000 0.000 0.278 374 L C 0.284 177.131 176.870 -0.038 0.000 1.092 374 L CA -0.111 54.710 54.840 -0.031 0.000 0.810 374 L CB 1.144 43.188 42.059 -0.025 0.000 1.153 374 L HN 0.761 nan 8.230 nan 0.000 0.439 375 K N 3.429 123.820 120.400 -0.015 0.000 2.619 375 K HA 0.196 4.516 4.320 -0.000 0.000 0.251 375 K C -0.888 175.713 176.600 0.003 0.000 0.987 375 K CA -0.626 55.653 56.287 -0.014 0.000 0.844 375 K CB 0.841 33.331 32.500 -0.016 0.000 1.237 375 K HN 0.608 nan 8.250 nan 0.000 0.447 376 N N 2.839 121.539 118.700 0.001 0.000 2.725 376 N HA -0.205 4.535 4.740 -0.000 0.000 0.251 376 N C 0.521 176.041 175.510 0.015 0.000 1.031 376 N CA 1.701 54.756 53.050 0.008 0.000 0.720 376 N CB -1.346 37.146 38.487 0.009 0.000 0.930 376 N HN 1.123 nan 8.380 nan 0.000 0.543 377 G N -1.879 106.931 108.800 0.017 0.000 2.189 377 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.267 377 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.267 377 G C 0.112 175.037 174.900 0.042 0.000 0.975 377 G CA 1.117 46.233 45.100 0.026 0.000 0.644 377 G HN 0.523 nan 8.290 nan 0.000 0.537 378 K N -0.443 119.984 120.400 0.045 0.000 2.295 378 K HA 0.718 5.038 4.320 -0.000 0.000 0.239 378 K C -0.321 176.325 176.600 0.076 0.000 0.991 378 K CA -0.871 55.458 56.287 0.069 0.000 0.845 378 K CB 2.580 35.115 32.500 0.059 0.000 1.197 378 K HN 0.060 nan 8.250 nan 0.000 0.441 379 V N 1.898 121.884 119.914 0.121 0.000 2.398 379 V HA 0.331 4.451 4.120 -0.000 0.000 0.286 379 V C -0.158 175.952 176.094 0.027 0.000 1.026 379 V CA -0.733 61.612 62.300 0.075 0.000 0.868 379 V CB 1.461 33.347 31.823 0.105 0.000 0.982 379 V HN 0.601 nan 8.190 nan 0.000 0.443 380 V N 1.717 121.614 119.914 -0.027 0.000 3.001 380 V HA 0.775 4.895 4.120 -0.000 0.000 0.314 380 V C 0.131 176.162 176.094 -0.104 0.000 1.099 380 V CA -0.679 61.592 62.300 -0.049 0.000 0.989 380 V CB 1.915 33.732 31.823 -0.010 0.000 1.040 380 V HN 0.882 nan 8.190 nan 0.000 0.434 381 T N -0.113 114.342 114.554 -0.164 0.000 2.940 381 T HA 0.269 4.619 4.350 -0.000 0.000 0.309 381 T C 0.108 174.812 174.700 0.007 0.000 1.056 381 T CA 0.281 62.256 62.100 -0.207 0.000 1.137 381 T CB -0.017 68.678 68.868 -0.289 0.000 0.976 381 T HN 1.272 nan 8.240 nan 0.000 0.547 382 H N 0.949 119.953 119.070 -0.110 0.000 2.823 382 H HA 0.452 5.007 4.556 -0.000 0.000 0.222 382 H C 0.024 175.345 175.328 -0.012 0.000 1.414 382 H CA -0.203 55.832 56.048 -0.022 0.000 1.289 382 H CB -0.214 29.531 29.762 -0.027 0.000 1.970 382 H HN 1.221 nan 8.280 nan 0.000 0.517 383 G N -0.810 107.908 108.800 -0.137 0.000 2.352 383 G HA2 0.094 4.054 3.960 -0.000 0.000 0.302 383 G HA3 0.094 4.054 3.960 -0.000 0.000 0.302 383 G C 0.582 175.064 174.900 -0.696 0.000 1.370 383 G CA -0.234 44.703 45.100 -0.271 0.000 0.918 383 G HN 0.340 nan 8.290 nan 0.000 0.610 384 G N -0.603 107.625 108.800 -0.953 0.000 2.434 384 G HA2 0.070 4.029 3.960 -0.000 0.000 0.214 384 G HA3 0.070 4.029 3.960 -0.000 0.000 0.214 384 G C 0.779 175.055 174.900 -1.040 0.000 1.202 384 G CA 0.544 44.905 45.100 -1.232 0.000 0.788 384 G HN 0.631 nan 8.290 nan 0.000 0.539 385 R N 0.263 120.257 120.500 -0.844 0.000 2.221 385 R HA 0.387 4.727 4.340 -0.000 0.000 0.327 385 R C 0.640 176.735 176.300 -0.342 0.000 1.033 385 R CA -0.487 55.274 56.100 -0.565 0.000 0.887 385 R CB 1.968 32.020 30.300 -0.414 0.000 1.057 385 R HN 0.104 nan 8.270 nan 0.000 0.455 386 V N 4.116 123.870 119.914 -0.266 0.000 2.492 386 V HA 0.039 4.159 4.120 -0.000 0.000 0.241 386 V C 0.454 176.420 176.094 -0.214 0.000 1.041 386 V CA 1.108 63.244 62.300 -0.274 0.000 1.057 386 V CB -0.291 31.279 31.823 -0.420 0.000 0.711 386 V HN 0.629 nan 8.190 nan 0.000 0.468 387 L N -3.174 117.964 121.223 -0.143 0.000 2.892 387 L HA 0.952 5.292 4.340 -0.000 0.000 0.269 387 L C -1.014 175.820 176.870 -0.059 0.000 1.058 387 L CA -0.795 53.971 54.840 -0.123 0.000 0.923 387 L CB 1.487 43.390 42.059 -0.260 0.000 1.518 387 L HN -0.096 nan 8.230 nan 0.000 0.402 388 A N 0.246 123.047 122.820 -0.032 0.000 2.414 388 A HA 0.893 5.213 4.320 -0.000 0.000 0.306 388 A C -1.268 176.274 177.584 -0.069 0.000 1.054 388 A CA -0.754 51.275 52.037 -0.013 0.000 0.724 388 A CB 1.984 21.019 19.000 0.057 0.000 1.267 388 A HN 0.770 nan 8.150 nan 0.000 0.418 389 V N 1.886 121.749 119.914 -0.085 0.000 2.370 389 V HA 0.525 4.645 4.120 -0.000 0.000 0.283 389 V C 0.042 176.085 176.094 -0.085 0.000 1.023 389 V CA -0.232 61.988 62.300 -0.132 0.000 0.857 389 V CB 1.434 33.177 31.823 -0.133 0.000 0.985 389 V HN 0.904 nan 8.190 nan 0.000 0.443 390 T N 4.674 119.147 114.554 -0.134 0.000 2.771 390 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 390 T C 0.054 174.725 174.700 -0.048 0.000 0.982 390 T CA -0.228 61.847 62.100 -0.042 0.000 0.978 390 T CB 1.502 70.391 68.868 0.035 0.000 0.930 390 T HN 0.888 nan 8.240 nan 0.000 0.447 391 A N 3.451 126.277 122.820 0.010 0.000 2.324 391 A HA 0.835 5.155 4.320 -0.000 0.000 0.330 391 A C -0.660 176.967 177.584 0.072 0.000 1.165 391 A CA -0.699 51.354 52.037 0.026 0.000 0.813 391 A CB 0.396 19.413 19.000 0.027 0.000 1.197 391 A HN 0.796 nan 8.150 nan 0.000 0.484 392 I N 2.715 123.337 120.570 0.085 0.000 2.411 392 I HA 0.514 4.684 4.170 -0.000 0.000 0.284 392 I C 0.141 176.349 176.117 0.151 0.000 1.012 392 I CA -0.117 61.259 61.300 0.128 0.000 1.119 392 I CB 1.190 39.262 38.000 0.120 0.000 1.261 392 I HN 0.596 nan 8.210 nan 0.000 0.448 393 R N 3.574 124.179 120.500 0.175 0.000 3.080 393 R HA 0.460 4.800 4.340 -0.000 0.000 0.248 393 R C 0.474 176.872 176.300 0.162 0.000 1.324 393 R CA -0.836 55.368 56.100 0.174 0.000 1.036 393 R CB 0.338 30.697 30.300 0.098 0.000 1.360 393 R HN 0.435 nan 8.270 nan 0.000 0.479 394 E N 0.675 120.913 120.200 0.063 0.000 2.435 394 E HA 0.011 4.361 4.350 -0.000 0.000 0.195 394 E C -0.419 176.171 176.600 -0.017 0.000 1.029 394 E CA 0.524 56.894 56.400 -0.050 0.000 0.865 394 E CB 0.030 29.684 29.700 -0.076 0.000 0.833 394 E HN 0.491 nan 8.360 nan 0.000 0.510 395 N N -1.884 116.829 118.700 0.021 0.000 2.927 395 N HA 0.082 4.822 4.740 -0.000 0.000 0.248 395 N C 0.073 175.598 175.510 0.025 0.000 1.443 395 N CA -0.690 52.372 53.050 0.021 0.000 0.870 395 N CB 0.494 38.986 38.487 0.010 0.000 1.444 395 N HN -0.291 nan 8.380 nan 0.000 0.519 396 L N 0.357 121.583 121.223 0.005 0.000 1.956 396 L HA -0.053 4.286 4.340 -0.000 0.000 0.216 396 L C 2.074 178.938 176.870 -0.010 0.000 1.073 396 L CA 1.666 56.490 54.840 -0.026 0.000 0.762 396 L CB -1.077 40.922 42.059 -0.101 0.000 0.889 396 L HN 0.785 nan 8.230 nan 0.000 0.433 397 I N -0.684 119.882 120.570 -0.006 0.000 2.151 397 I HA -0.392 3.778 4.170 -0.000 0.000 0.243 397 I C 2.855 178.981 176.117 0.014 0.000 1.080 397 I CA 1.737 63.039 61.300 0.004 0.000 1.339 397 I CB 0.031 38.036 38.000 0.008 0.000 1.039 397 I HN 0.332 nan 8.210 nan 0.000 0.409 398 S N 0.142 115.853 115.700 0.019 0.000 2.368 398 S HA -0.140 4.329 4.470 -0.000 0.000 0.224 398 S C 2.177 176.797 174.600 0.033 0.000 1.029 398 S CA 1.209 59.425 58.200 0.025 0.000 0.988 398 S CB -0.260 62.956 63.200 0.028 0.000 0.838 398 S HN 0.513 nan 8.310 nan 0.000 0.462 399 A N 1.554 124.398 122.820 0.040 0.000 1.902 399 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 399 A C 2.170 179.777 177.584 0.039 0.000 1.181 399 A CA 1.626 53.693 52.037 0.050 0.000 0.623 399 A CB -0.962 18.080 19.000 0.070 0.000 0.818 399 A HN 0.591 nan 8.150 nan 0.000 0.443 400 L N -0.016 121.226 121.223 0.031 0.000 1.989 400 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 400 L C 2.173 179.058 176.870 0.025 0.000 1.071 400 L CA 2.510 57.367 54.840 0.029 0.000 0.749 400 L CB -0.664 41.408 42.059 0.023 0.000 0.890 400 L HN 0.362 nan 8.230 nan 0.000 0.431 401 E N -0.228 119.985 120.200 0.023 0.000 2.153 401 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 401 E C 2.123 178.732 176.600 0.015 0.000 0.988 401 E CA 0.941 57.353 56.400 0.020 0.000 0.811 401 E CB -0.257 29.454 29.700 0.018 0.000 0.746 401 E HN 0.585 nan 8.360 nan 0.000 0.466 402 E N 0.778 120.988 120.200 0.016 0.000 2.072 402 E HA -0.072 4.278 4.350 -0.000 0.000 0.191 402 E C 2.027 178.625 176.600 -0.003 0.000 0.985 402 E CA 0.988 57.394 56.400 0.010 0.000 0.801 402 E CB -0.295 29.416 29.700 0.019 0.000 0.750 402 E HN 0.211 nan 8.360 nan 0.000 0.452 403 A N 1.394 124.213 122.820 -0.002 0.000 1.978 403 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 403 A C 2.050 179.608 177.584 -0.043 0.000 1.170 403 A CA 1.617 53.640 52.037 -0.023 0.000 0.636 403 A CB -0.330 18.665 19.000 -0.009 0.000 0.810 403 A HN 0.113 nan 8.150 nan 0.000 0.448 404 K N -0.249 120.141 120.400 -0.017 0.000 2.217 404 K HA -0.048 4.272 4.320 -0.000 0.000 0.202 404 K C 1.879 178.467 176.600 -0.020 0.000 1.051 404 K CA 1.164 57.445 56.287 -0.010 0.000 0.952 404 K CB -0.039 32.483 32.500 0.036 0.000 0.736 404 K HN 0.468 nan 8.250 nan 0.000 0.453 405 K N -0.205 120.184 120.400 -0.018 0.000 2.097 405 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 405 K C 2.216 178.792 176.600 -0.040 0.000 1.050 405 K CA 1.333 57.609 56.287 -0.019 0.000 0.938 405 K CB -0.154 32.339 32.500 -0.012 0.000 0.718 405 K HN 0.225 nan 8.250 nan 0.000 0.442 406 G N 1.626 110.392 108.800 -0.057 0.000 2.402 406 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 406 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 406 G C 1.510 176.343 174.900 -0.111 0.000 1.162 406 G CA 0.485 45.541 45.100 -0.073 0.000 0.777 406 G HN 0.075 nan 8.290 nan 0.000 0.539 407 L N 0.798 121.914 121.223 -0.178 0.000 2.127 407 L HA -0.071 4.269 4.340 -0.000 0.000 0.211 407 L C 3.288 180.025 176.870 -0.221 0.000 1.089 407 L CA 1.093 55.722 54.840 -0.353 0.000 0.757 407 L CB -0.270 41.398 42.059 -0.652 0.000 0.899 407 L HN 0.298 nan 8.230 nan 0.000 0.434 408 A N -0.422 122.348 122.820 -0.083 0.000 2.016 408 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 408 A C 2.458 180.034 177.584 -0.014 0.000 1.162 408 A CA 1.225 53.258 52.037 -0.006 0.000 0.662 408 A CB -0.452 18.560 19.000 0.019 0.000 0.812 408 A HN 0.363 nan 8.150 nan 0.000 0.450 409 A N -0.418 122.384 122.820 -0.030 0.000 2.016 409 A HA 0.276 4.596 4.320 -0.000 0.000 0.217 409 A C 0.952 178.533 177.584 -0.005 0.000 1.162 409 A CA 0.299 52.325 52.037 -0.019 0.000 0.662 409 A CB -0.268 18.717 19.000 -0.025 0.000 0.812 409 A HN 0.437 nan 8.150 nan 0.000 0.450 410 I N 0.416 120.982 120.570 -0.007 0.000 2.365 410 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 410 I C -0.297 175.849 176.117 0.048 0.000 1.004 410 I CA -0.073 61.259 61.300 0.052 0.000 1.311 410 I CB 1.253 39.291 38.000 0.063 0.000 1.401 410 I HN 0.089 nan 8.210 nan 0.000 0.491 411 K N 7.092 127.559 120.400 0.111 0.000 2.507 411 K HA 0.588 4.908 4.320 -0.000 0.000 0.251 411 K C -1.376 175.349 176.600 0.208 0.000 0.943 411 K CA -0.566 55.758 56.287 0.062 0.000 0.794 411 K CB 2.315 34.842 32.500 0.044 0.000 1.188 411 K HN 0.462 nan 8.250 nan 0.000 0.428 412 F N -0.888 119.094 119.950 0.053 0.000 2.601 412 F HA 0.417 4.944 4.527 -0.000 0.000 0.309 412 F C -0.226 175.604 175.800 0.049 0.000 1.089 412 F CA -1.433 56.596 58.000 0.049 0.000 0.940 412 F CB 1.056 40.080 39.000 0.040 0.000 1.273 412 F HN 0.305 nan 8.300 nan 0.000 0.450 413 E N 1.782 122.105 120.200 0.205 0.000 2.752 413 E HA 0.370 4.720 4.350 -0.000 0.000 0.241 413 E C 1.086 177.756 176.600 0.117 0.000 1.016 413 E CA 1.782 58.252 56.400 0.116 0.000 0.952 413 E CB -0.227 29.549 29.700 0.127 0.000 0.921 413 E HN 1.262 nan 8.360 nan 0.000 0.515 414 G N 2.775 111.577 108.800 0.003 0.000 2.157 414 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 414 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 414 G C 0.404 175.269 174.900 -0.059 0.000 0.979 414 G CA -0.026 45.083 45.100 0.015 0.000 0.650 414 G HN 0.994 nan 8.290 nan 0.000 0.529 415 A N 0.374 122.969 122.820 -0.376 0.000 2.565 415 A HA 0.506 4.826 4.320 -0.000 0.000 0.237 415 A C 0.819 178.287 177.584 -0.193 0.000 1.053 415 A CA 0.970 52.621 52.037 -0.643 0.000 0.755 415 A CB -0.149 18.063 19.000 -1.313 0.000 0.980 415 A HN 1.670 nan 8.150 nan 0.000 0.506 416 I N 0.192 120.744 120.570 -0.031 0.000 2.785 416 I HA 0.928 5.097 4.170 -0.000 0.000 0.302 416 I C -0.789 175.406 176.117 0.130 0.000 1.069 416 I CA -1.123 60.161 61.300 -0.027 0.000 1.045 416 I CB 2.134 40.136 38.000 0.004 0.000 1.236 416 I HN 0.799 nan 8.210 nan 0.000 0.429 417 Y N 0.884 121.165 120.300 -0.033 0.000 2.677 417 Y HA 0.632 5.182 4.550 -0.000 0.000 0.334 417 Y C -1.293 174.599 175.900 -0.013 0.000 1.196 417 Y CA -1.421 56.672 58.100 -0.011 0.000 1.059 417 Y CB 0.923 39.370 38.460 -0.021 0.000 1.315 417 Y HN 0.535 nan 8.280 nan 0.000 0.455 418 R N 1.218 121.808 120.500 0.150 0.000 2.410 418 R HA 0.397 4.737 4.340 -0.000 0.000 0.288 418 R C -0.210 176.164 176.300 0.122 0.000 1.051 418 R CA -0.766 55.366 56.100 0.054 0.000 1.021 418 R CB 1.135 31.453 30.300 0.031 0.000 1.032 418 R HN 0.760 nan 8.270 nan 0.000 0.481 419 K N 1.215 121.633 120.400 0.030 0.000 2.397 419 K HA -0.002 4.318 4.320 -0.000 0.000 0.202 419 K C -0.123 176.487 176.600 0.016 0.000 1.022 419 K CA 0.218 56.541 56.287 0.060 0.000 1.141 419 K CB 0.508 33.021 32.500 0.022 0.000 0.857 419 K HN 0.561 nan 8.250 nan 0.000 0.514 420 D N -0.008 120.384 120.400 -0.013 0.000 2.599 420 D HA 0.004 4.644 4.640 -0.000 0.000 0.249 420 D C 0.125 176.453 176.300 0.046 0.000 1.313 420 D CA -0.374 53.623 54.000 -0.005 0.000 0.815 420 D CB 0.116 40.836 40.800 -0.132 0.000 1.077 420 D HN -0.126 nan 8.370 nan 0.000 0.492 421 I N 1.773 122.330 120.570 -0.023 0.000 2.828 421 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 421 I C 1.807 177.948 176.117 0.039 0.000 1.206 421 I CA 1.539 62.786 61.300 -0.089 0.000 1.420 421 I CB -0.327 37.697 38.000 0.039 0.000 1.368 421 I HN 0.493 nan 8.210 nan 0.000 0.556 422 G N 6.257 115.143 108.800 0.143 0.000 2.179 422 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.220 422 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.220 422 G C 0.627 175.499 174.900 -0.048 0.000 0.990 422 G CA 0.221 45.239 45.100 -0.137 0.000 0.646 422 G HN 0.665 nan 8.290 nan 0.000 0.517 423 F N 1.361 121.334 119.950 0.038 0.000 2.250 423 F HA 0.115 4.642 4.527 -0.000 0.000 0.301 423 F C 2.254 178.097 175.800 0.072 0.000 1.077 423 F CA 1.777 59.800 58.000 0.037 0.000 1.348 423 F CB -0.413 38.610 39.000 0.039 0.000 1.040 423 F HN 0.219 nan 8.300 nan 0.000 0.509 424 R N 0.811 120.969 120.500 -0.569 0.000 2.080 424 R HA 0.158 4.498 4.340 -0.000 0.000 0.222 424 R C 2.634 178.870 176.300 -0.106 0.000 1.107 424 R CA 0.884 56.739 56.100 -0.409 0.000 0.980 424 R CB -0.715 29.276 30.300 -0.514 0.000 0.879 424 R HN 0.420 nan 8.270 nan 0.000 0.439 425 A N 1.514 124.266 122.820 -0.113 0.000 1.908 425 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 425 A C 2.127 179.727 177.584 0.027 0.000 1.181 425 A CA 1.255 53.258 52.037 -0.056 0.000 0.627 425 A CB -0.519 18.329 19.000 -0.254 0.000 0.818 425 A HN 0.174 nan 8.150 nan 0.000 0.445 426 I N -0.444 120.109 120.570 -0.029 0.000 2.286 426 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 426 I C 2.873 179.026 176.117 0.061 0.000 1.115 426 I CA 1.056 62.368 61.300 0.019 0.000 1.392 426 I CB -0.315 37.696 38.000 0.018 0.000 1.065 426 I HN 0.366 nan 8.210 nan 0.000 0.418 427 A N 0.413 123.278 122.820 0.076 0.000 2.014 427 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 427 A C 2.175 179.811 177.584 0.087 0.000 1.163 427 A CA 0.860 52.946 52.037 0.081 0.000 0.652 427 A CB -0.788 18.272 19.000 0.100 0.000 0.808 427 A HN 0.464 nan 8.150 nan 0.000 0.449 428 F N 0.746 120.681 119.950 -0.026 0.000 2.134 428 F HA 0.024 4.551 4.527 -0.000 0.000 0.299 428 F C 0.904 176.697 175.800 -0.012 0.000 1.097 428 F CA 0.609 58.597 58.000 -0.020 0.000 1.264 428 F CB -0.293 38.693 39.000 -0.025 0.000 1.001 428 F HN 0.091 nan 8.300 nan 0.000 0.479 429 L N 0.000 121.224 121.223 0.001 0.000 2.949 429 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 429 L CA 0.000 54.786 54.840 -0.091 0.000 0.813 429 L CB 0.000 42.081 42.059 0.037 0.000 0.961 429 L HN 0.000 nan 8.230 nan 0.000 0.502