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_B 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 SGLAXXXGVI VAKSKEEACK AVQEIMQEKX XXXAGETIVI 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 Q 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 0.000 174.536 174.600 -0.107 0.000 1.055 0 S CA 0.000 58.148 58.200 -0.087 0.000 1.107 0 S CB 0.000 63.129 63.200 -0.119 0.000 0.593 1 M N 2.979 122.516 119.600 -0.106 0.000 3.268 1 M HA 0.327 4.807 4.480 -0.000 0.000 0.249 1 M C 1.206 177.452 176.300 -0.091 0.000 1.527 1 M CA 0.362 55.598 55.300 -0.107 0.000 1.645 1 M CB 0.218 32.766 32.600 -0.087 0.000 1.193 1 M HN 0.447 nan 8.290 nan 0.000 0.534 2 A N 2.021 124.790 122.820 -0.084 0.000 1.887 2 A HA 0.394 4.714 4.320 -0.000 0.000 0.212 2 A C 1.316 178.851 177.584 -0.082 0.000 1.198 2 A CA 0.663 52.662 52.037 -0.063 0.000 0.628 2 A CB -0.007 18.978 19.000 -0.026 0.000 0.847 2 A HN 0.690 nan 8.150 nan 0.000 0.449 3 A N 0.476 123.223 122.820 -0.121 0.000 2.425 3 A HA 0.534 4.854 4.320 -0.000 0.000 0.249 3 A C 0.186 177.683 177.584 -0.146 0.000 1.084 3 A CA -0.331 51.630 52.037 -0.127 0.000 0.781 3 A CB 0.055 18.969 19.000 -0.144 0.000 1.019 3 A HN 0.531 nan 8.150 nan 0.000 0.490 4 R N 1.001 121.419 120.500 -0.138 0.000 2.532 4 R HA 0.650 4.990 4.340 -0.000 0.000 0.295 4 R C -1.301 174.877 176.300 -0.203 0.000 0.968 4 R CA -0.637 55.378 56.100 -0.142 0.000 0.916 4 R CB 1.935 32.165 30.300 -0.115 0.000 1.124 4 R HN 0.436 nan 8.270 nan 0.000 0.463 5 V N 3.254 123.057 119.914 -0.184 0.000 2.876 5 V HA 0.456 4.576 4.120 -0.000 0.000 0.312 5 V C -1.150 174.899 176.094 -0.075 0.000 1.085 5 V CA -0.974 61.179 62.300 -0.245 0.000 0.945 5 V CB 2.341 33.986 31.823 -0.298 0.000 1.017 5 V HN 0.525 nan 8.190 nan 0.000 0.428 6 L N 4.409 125.622 121.223 -0.016 0.000 2.362 6 L HA 0.731 5.071 4.340 -0.000 0.000 0.275 6 L C -1.001 175.934 176.870 0.109 0.000 0.998 6 L CA 0.086 54.970 54.840 0.073 0.000 0.820 6 L CB 1.534 43.670 42.059 0.127 0.000 1.270 6 L HN 0.572 nan 8.230 nan 0.000 0.415 7 I N 5.376 126.009 120.570 0.105 0.000 2.474 7 I HA 0.420 4.590 4.170 -0.000 0.000 0.294 7 I C -0.653 175.524 176.117 0.100 0.000 1.005 7 I CA -0.738 60.634 61.300 0.121 0.000 1.113 7 I CB 1.862 39.932 38.000 0.117 0.000 1.289 7 I HN 0.395 nan 8.210 nan 0.000 0.436 8 I N 4.650 125.284 120.570 0.107 0.000 2.331 8 I HA 0.702 4.872 4.170 -0.000 0.000 0.292 8 I C 0.625 176.791 176.117 0.081 0.000 0.998 8 I CA 0.130 61.480 61.300 0.083 0.000 1.267 8 I CB 0.431 38.481 38.000 0.083 0.000 1.386 8 I HN 0.864 nan 8.210 nan 0.000 0.476 9 G N 4.507 113.345 108.800 0.064 0.000 2.347 9 G HA2 0.139 4.098 3.960 -0.000 0.000 0.341 9 G HA3 0.139 4.098 3.960 -0.000 0.000 0.341 9 G C -0.493 174.441 174.900 0.056 0.000 1.287 9 G CA -0.015 45.124 45.100 0.065 0.000 0.984 9 G HN 0.773 nan 8.290 nan 0.000 0.526 10 S N -1.549 114.188 115.700 0.061 0.000 3.004 10 S HA 0.581 5.051 4.470 -0.000 0.000 0.244 10 S C 0.804 175.446 174.600 0.070 0.000 0.870 10 S CA 0.942 59.174 58.200 0.054 0.000 1.267 10 S CB 0.193 63.422 63.200 0.049 0.000 1.208 10 S HN 2.071 nan 8.310 nan 0.000 0.624 11 G N 0.721 109.568 108.800 0.079 0.000 2.642 11 G HA2 0.570 4.530 3.960 -0.000 0.000 0.291 11 G HA3 0.570 4.530 3.960 -0.000 0.000 0.291 11 G C 0.914 175.883 174.900 0.116 0.000 1.345 11 G CA -0.229 44.923 45.100 0.087 0.000 1.043 11 G HN 0.386 nan 8.290 nan 0.000 0.528 12 G N -1.041 107.824 108.800 0.109 0.000 2.421 12 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.217 12 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.217 12 G C 1.660 176.577 174.900 0.029 0.000 1.143 12 G CA 0.988 46.170 45.100 0.136 0.000 0.784 12 G HN 0.593 nan 8.290 nan 0.000 0.541 13 R N 0.525 121.027 120.500 0.004 0.000 2.094 13 R HA -0.141 4.199 4.340 -0.000 0.000 0.239 13 R C 2.320 178.612 176.300 -0.013 0.000 1.137 13 R CA 2.031 58.105 56.100 -0.044 0.000 0.943 13 R CB -0.236 30.082 30.300 0.030 0.000 0.850 13 R HN 0.295 nan 8.270 nan 0.000 0.433 14 E N -0.872 119.368 120.200 0.067 0.000 2.107 14 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 14 E C 1.782 178.476 176.600 0.157 0.000 0.982 14 E CA 1.450 57.910 56.400 0.101 0.000 0.809 14 E CB -0.318 29.440 29.700 0.097 0.000 0.756 14 E HN 0.562 nan 8.360 nan 0.000 0.459 15 H N -0.285 118.820 119.070 0.058 0.000 2.319 15 H HA -0.128 4.429 4.556 0.000 0.000 0.299 15 H C 1.515 176.927 175.328 0.139 0.000 1.092 15 H CA 1.689 57.809 56.048 0.121 0.000 1.302 15 H CB 0.280 30.154 29.762 0.186 0.000 1.373 15 H HN 0.130 nan 8.280 nan 0.000 0.497 16 T N 1.166 115.681 114.554 -0.065 0.000 2.720 16 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 16 T C 2.199 176.946 174.700 0.078 0.000 1.037 16 T CA 1.374 63.267 62.100 -0.345 0.000 1.144 16 T CB -0.335 68.035 68.868 -0.831 0.000 0.864 16 T HN 0.236 nan 8.240 nan 0.000 0.444 17 L N 0.645 121.886 121.223 0.030 0.000 2.046 17 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 17 L C 3.030 179.989 176.870 0.148 0.000 1.077 17 L CA 1.292 56.179 54.840 0.077 0.000 0.747 17 L CB -0.664 41.448 42.059 0.088 0.000 0.896 17 L HN 0.261 nan 8.230 nan 0.000 0.432 18 A N -0.581 122.360 122.820 0.201 0.000 1.855 18 A HA -0.281 4.039 4.320 -0.000 0.000 0.215 18 A C 1.988 179.720 177.584 0.246 0.000 1.191 18 A CA 1.562 53.720 52.037 0.201 0.000 0.613 18 A CB -1.237 17.884 19.000 0.202 0.000 0.829 18 A HN 0.611 nan 8.150 nan 0.000 0.442 19 W N 1.176 122.576 121.300 0.168 0.000 2.304 19 W HA -0.309 4.351 4.660 -0.000 0.000 0.315 19 W C 2.077 178.644 176.519 0.080 0.000 1.233 19 W CA 2.859 60.294 57.345 0.151 0.000 1.261 19 W CB -0.148 29.451 29.460 0.232 0.000 1.150 19 W HN 0.251 nan 8.180 nan 0.000 0.494 20 K N 0.183 120.577 120.400 -0.009 0.000 2.103 20 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 20 K C 2.080 178.543 176.600 -0.228 0.000 1.052 20 K CA 1.890 57.962 56.287 -0.358 0.000 0.945 20 K CB -0.779 31.665 32.500 -0.093 0.000 0.722 20 K HN 0.352 nan 8.250 nan 0.000 0.443 21 L N 0.069 121.255 121.223 -0.062 0.000 2.141 21 L HA -0.051 4.289 4.340 -0.000 0.000 0.209 21 L C 2.288 179.111 176.870 -0.078 0.000 1.094 21 L CA 1.106 55.934 54.840 -0.019 0.000 0.763 21 L CB -0.480 41.619 42.059 0.067 0.000 0.908 21 L HN 0.245 nan 8.230 nan 0.000 0.437 22 A N -0.682 122.081 122.820 -0.096 0.000 2.070 22 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 22 A C 2.145 179.620 177.584 -0.182 0.000 1.159 22 A CA 1.213 53.186 52.037 -0.108 0.000 0.656 22 A CB -0.335 18.634 19.000 -0.051 0.000 0.800 22 A HN 0.507 nan 8.150 nan 0.000 0.453 23 Q N -0.173 119.458 119.800 -0.281 0.000 2.378 23 Q HA 0.031 4.371 4.340 -0.000 0.000 0.205 23 Q C 0.879 176.673 176.000 -0.343 0.000 0.954 23 Q CA 0.363 55.967 55.803 -0.331 0.000 0.901 23 Q CB -0.038 28.439 28.738 -0.434 0.000 0.981 23 Q HN 0.519 nan 8.270 nan 0.000 0.483 24 S N 0.090 115.641 115.700 -0.249 0.000 2.549 24 S HA -0.043 4.427 4.470 -0.000 0.000 0.283 24 S C 0.747 175.197 174.600 -0.249 0.000 1.320 24 S CA -0.570 57.501 58.200 -0.215 0.000 1.058 24 S CB 0.486 63.632 63.200 -0.091 0.000 0.882 24 S HN 0.301 nan 8.310 nan 0.000 0.498 25 H N 3.751 122.730 119.070 -0.152 0.000 2.546 25 H HA 0.022 4.578 4.556 -0.000 0.000 0.277 25 H C 1.323 176.442 175.328 -0.348 0.000 1.004 25 H CA 1.090 56.990 56.048 -0.247 0.000 1.231 25 H CB -0.054 29.537 29.762 -0.284 0.000 1.382 25 H HN 0.710 nan 8.280 nan 0.000 0.580 26 H N -0.613 118.341 119.070 -0.193 0.000 2.539 26 H HA 0.141 4.697 4.556 -0.000 0.000 0.267 26 H C 0.174 175.217 175.328 -0.475 0.000 0.982 26 H CA 0.136 55.962 56.048 -0.370 0.000 1.146 26 H CB 0.889 30.269 29.762 -0.638 0.000 1.382 26 H HN -0.013 nan 8.280 nan 0.000 0.577 27 V N 2.676 122.425 119.914 -0.275 0.000 2.384 27 V HA 0.045 4.165 4.120 -0.000 0.000 0.287 27 V C 1.024 177.026 176.094 -0.153 0.000 1.020 27 V CA -0.442 61.701 62.300 -0.261 0.000 0.850 27 V CB 2.008 33.695 31.823 -0.228 0.000 0.987 27 V HN 0.380 nan 8.190 nan 0.000 0.436 28 K N 3.621 123.943 120.400 -0.131 0.000 2.308 28 K HA 0.267 4.587 4.320 -0.000 0.000 0.197 28 K C 0.573 177.128 176.600 -0.075 0.000 1.049 28 K CA 0.160 56.393 56.287 -0.090 0.000 0.991 28 K CB 0.840 33.293 32.500 -0.078 0.000 0.836 28 K HN 0.566 nan 8.250 nan 0.000 0.500 29 Q N 0.988 120.739 119.800 -0.082 0.000 2.309 29 Q HA 0.350 4.690 4.340 -0.000 0.000 0.273 29 Q C -1.925 174.041 176.000 -0.057 0.000 1.040 29 Q CA -0.867 54.900 55.803 -0.060 0.000 0.834 29 Q CB 2.665 31.371 28.738 -0.054 0.000 1.345 29 Q HN 0.069 nan 8.270 nan 0.000 0.414 30 V N 4.543 124.439 119.914 -0.030 0.000 2.495 30 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 30 V C -0.396 175.703 176.094 0.009 0.000 1.031 30 V CA -0.659 61.634 62.300 -0.011 0.000 0.871 30 V CB 1.596 33.427 31.823 0.013 0.000 0.988 30 V HN 0.721 nan 8.190 nan 0.000 0.432 31 L N 4.626 125.865 121.223 0.027 0.000 2.334 31 L HA 0.783 5.123 4.340 -0.000 0.000 0.276 31 L C -0.900 176.003 176.870 0.056 0.000 1.014 31 L CA -0.853 54.018 54.840 0.052 0.000 0.815 31 L CB 2.231 44.354 42.059 0.107 0.000 1.268 31 L HN 0.377 nan 8.230 nan 0.000 0.428 32 V N 1.432 121.369 119.914 0.038 0.000 2.638 32 V HA 0.702 4.822 4.120 -0.000 0.000 0.306 32 V C -0.311 175.791 176.094 0.015 0.000 1.052 32 V CA -0.620 61.700 62.300 0.033 0.000 0.885 32 V CB 1.766 33.598 31.823 0.014 0.000 0.999 32 V HN 0.816 nan 8.190 nan 0.000 0.424 33 A N 6.015 128.846 122.820 0.019 0.000 2.409 33 A HA 0.794 5.114 4.320 -0.000 0.000 0.300 33 A C -2.018 175.567 177.584 0.002 0.000 1.273 33 A CA -1.351 50.682 52.037 -0.007 0.000 0.774 33 A CB 1.315 20.304 19.000 -0.019 0.000 1.144 33 A HN 0.620 nan 8.150 nan 0.000 0.472 34 P HA 0.222 nan 4.420 nan 0.000 0.257 34 P C 0.934 178.218 177.300 -0.026 0.000 1.241 34 P CA 1.206 64.293 63.100 -0.023 0.000 0.816 34 P CB 0.451 32.137 31.700 -0.023 0.000 1.150 35 G N 1.237 110.029 108.800 -0.014 0.000 2.642 35 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.231 35 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.231 35 G C -0.632 174.242 174.900 -0.043 0.000 1.338 35 G CA -0.003 45.076 45.100 -0.034 0.000 0.883 35 G HN 0.690 nan 8.290 nan 0.000 0.570 36 N N -2.758 115.893 118.700 -0.082 0.000 3.449 36 N HA 0.760 5.500 4.740 -0.000 0.000 0.312 36 N C 1.152 176.585 175.510 -0.128 0.000 1.582 36 N CA 0.831 53.838 53.050 -0.071 0.000 0.850 36 N CB 0.427 38.915 38.487 0.001 0.000 1.822 36 N HN 1.710 nan 8.380 nan 0.000 0.577 37 A N -0.623 122.143 122.820 -0.089 0.000 1.969 37 A HA 0.187 4.507 4.320 -0.000 0.000 0.218 37 A C 1.878 179.241 177.584 -0.368 0.000 1.169 37 A CA 1.877 53.830 52.037 -0.139 0.000 0.635 37 A CB -1.617 17.363 19.000 -0.033 0.000 0.810 37 A HN 0.775 nan 8.150 nan 0.000 0.445 38 G N -0.423 107.975 108.800 -0.671 0.000 2.432 38 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 38 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 38 G C 1.589 175.943 174.900 -0.911 0.000 1.135 38 G CA 1.851 46.161 45.100 -1.316 0.000 0.767 38 G HN 0.703 nan 8.290 nan 0.000 0.550 39 T N -2.147 111.993 114.554 -0.690 0.000 3.081 39 T HA 0.498 4.848 4.350 -0.000 0.000 0.250 39 T C 2.372 176.933 174.700 -0.232 0.000 1.100 39 T CA 1.046 62.889 62.100 -0.429 0.000 1.038 39 T CB 0.326 69.014 68.868 -0.301 0.000 0.962 39 T HN 0.251 nan 8.240 nan 0.000 0.516 40 A N 0.228 122.913 122.820 -0.225 0.000 2.024 40 A HA 0.170 4.490 4.320 -0.000 0.000 0.220 40 A C 1.426 178.943 177.584 -0.112 0.000 1.164 40 A CA 0.792 52.743 52.037 -0.144 0.000 0.643 40 A CB -0.775 18.145 19.000 -0.134 0.000 0.806 40 A HN 0.669 nan 8.150 nan 0.000 0.451 41 C N -0.245 118.980 119.300 -0.125 0.000 3.199 41 C HA 0.543 5.003 4.460 -0.000 0.000 0.376 41 C C -0.966 173.979 174.990 -0.075 0.000 1.023 41 C CA -0.442 58.526 59.018 -0.084 0.000 1.304 41 C CB -0.273 27.421 27.740 -0.076 0.000 1.676 41 C HN 0.297 nan 8.230 nan 0.000 0.553 42 S N 2.902 118.575 115.700 -0.046 0.000 2.653 42 S HA 0.675 5.145 4.470 -0.000 0.000 0.268 42 S C 0.293 174.897 174.600 0.006 0.000 1.153 42 S CA 0.540 58.733 58.200 -0.012 0.000 1.036 42 S CB 1.448 64.658 63.200 0.017 0.000 1.103 42 S HN 1.508 nan 8.310 nan 0.000 0.466 43 E N 3.375 123.578 120.200 0.004 0.000 3.418 43 E HA -0.400 3.950 4.350 -0.000 0.000 0.455 43 E C 0.472 177.067 176.600 -0.008 0.000 1.600 43 E CA 2.476 58.877 56.400 0.002 0.000 1.186 43 E CB -1.610 28.098 29.700 0.013 0.000 1.319 43 E HN 0.803 nan 8.360 nan 0.000 0.429 44 K N 0.493 120.889 120.400 -0.008 0.000 2.440 44 K HA 0.579 4.899 4.320 -0.000 0.000 0.206 44 K C 0.224 176.816 176.600 -0.012 0.000 1.025 44 K CA 0.306 56.582 56.287 -0.018 0.000 1.135 44 K CB 0.325 32.806 32.500 -0.032 0.000 0.856 44 K HN 0.560 nan 8.250 nan 0.000 0.502 45 I N 1.548 122.115 120.570 -0.004 0.000 2.404 45 I HA 0.211 4.381 4.170 -0.000 0.000 0.293 45 I C 0.067 176.169 176.117 -0.024 0.000 0.992 45 I CA -0.563 60.735 61.300 -0.003 0.000 1.149 45 I CB 1.752 39.762 38.000 0.018 0.000 1.315 45 I HN 0.065 nan 8.210 nan 0.000 0.446 46 S N 4.102 119.790 115.700 -0.020 0.000 2.705 46 S HA 0.579 5.049 4.470 -0.000 0.000 0.280 46 S C -1.082 173.505 174.600 -0.022 0.000 1.174 46 S CA -1.121 57.060 58.200 -0.031 0.000 0.823 46 S CB 1.816 65.003 63.200 -0.021 0.000 1.162 46 S HN 0.468 nan 8.310 nan 0.000 0.487 47 N N 0.373 119.056 118.700 -0.028 0.000 2.477 47 N HA 0.744 5.484 4.740 -0.000 0.000 0.284 47 N C -1.025 174.481 175.510 -0.007 0.000 1.182 47 N CA -0.280 52.754 53.050 -0.026 0.000 0.949 47 N CB 1.708 40.166 38.487 -0.049 0.000 1.204 47 N HN 0.793 nan 8.380 nan 0.000 0.526 48 T N -1.700 112.843 114.554 -0.018 0.000 2.933 48 T HA 0.591 4.941 4.350 -0.000 0.000 0.305 48 T C -0.296 174.351 174.700 -0.088 0.000 1.092 48 T CA -0.621 61.457 62.100 -0.037 0.000 1.008 48 T CB 1.010 69.866 68.868 -0.020 0.000 1.102 48 T HN 0.407 nan 8.240 nan 0.000 0.469 49 A N 4.177 126.935 122.820 -0.103 0.000 2.307 49 A HA 0.383 4.703 4.320 -0.000 0.000 0.218 49 A C 0.864 178.353 177.584 -0.159 0.000 1.228 49 A CA -0.303 51.672 52.037 -0.103 0.000 0.857 49 A CB -0.608 18.350 19.000 -0.070 0.000 0.897 49 A HN 0.780 nan 8.150 nan 0.000 0.495 50 I N 0.830 121.227 120.570 -0.289 0.000 2.919 50 I HA -0.070 4.100 4.170 -0.000 0.000 0.303 50 I C 0.952 176.938 176.117 -0.217 0.000 1.221 50 I CA 0.160 61.226 61.300 -0.391 0.000 1.444 50 I CB 0.302 37.792 38.000 -0.849 0.000 1.331 50 I HN 0.172 nan 8.210 nan 0.000 0.572 51 S N 6.305 121.913 115.700 -0.154 0.000 2.544 51 S HA 0.085 4.555 4.470 -0.000 0.000 0.290 51 S C 1.228 175.794 174.600 -0.057 0.000 1.276 51 S CA 0.018 58.166 58.200 -0.086 0.000 1.075 51 S CB -0.107 63.054 63.200 -0.065 0.000 0.849 51 S HN 0.530 nan 8.310 nan 0.000 0.494 52 I N 3.233 123.790 120.570 -0.023 0.000 3.728 52 I HA 0.191 4.361 4.170 -0.000 0.000 0.307 52 I C 1.516 177.679 176.117 0.076 0.000 1.276 52 I CA 0.466 61.787 61.300 0.035 0.000 1.285 52 I CB 0.097 38.120 38.000 0.040 0.000 1.038 52 I HN 0.566 nan 8.210 nan 0.000 0.445 53 S N -1.146 114.549 115.700 -0.009 0.000 2.503 53 S HA 0.159 4.629 4.470 -0.000 0.000 0.215 53 S C 0.481 174.919 174.600 -0.271 0.000 1.003 53 S CA -0.292 57.843 58.200 -0.108 0.000 0.910 53 S CB -0.367 62.782 63.200 -0.086 0.000 0.790 53 S HN 0.326 nan 8.310 nan 0.000 0.514 54 D N 2.270 122.588 120.400 -0.138 0.000 2.453 54 D HA 0.220 4.860 4.640 -0.000 0.000 0.223 54 D C 0.386 176.677 176.300 -0.014 0.000 1.183 54 D CA 0.006 53.933 54.000 -0.121 0.000 0.933 54 D CB 0.382 41.147 40.800 -0.057 0.000 1.038 54 D HN 0.539 nan 8.370 nan 0.000 0.513 55 H N 0.260 119.333 119.070 0.005 0.000 2.423 55 H HA -0.086 4.470 4.556 -0.000 0.000 0.297 55 H C 1.747 177.089 175.328 0.023 0.000 1.075 55 H CA 0.920 56.977 56.048 0.014 0.000 1.342 55 H CB 0.495 30.263 29.762 0.010 0.000 1.395 55 H HN 0.202 nan 8.280 nan 0.000 0.530 56 T N 0.616 115.246 114.554 0.127 0.000 2.652 56 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 56 T C 2.385 177.134 174.700 0.081 0.000 1.039 56 T CA 1.321 63.471 62.100 0.083 0.000 1.153 56 T CB -0.416 68.482 68.868 0.049 0.000 0.863 56 T HN 0.503 nan 8.240 nan 0.000 0.428 57 A N 0.928 123.789 122.820 0.068 0.000 1.930 57 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 57 A C 2.237 179.889 177.584 0.113 0.000 1.175 57 A CA 1.103 53.185 52.037 0.074 0.000 0.627 57 A CB -0.751 18.271 19.000 0.038 0.000 0.815 57 A HN 0.397 nan 8.150 nan 0.000 0.443 58 L N -0.039 121.248 121.223 0.106 0.000 2.042 58 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 58 L C 2.647 179.627 176.870 0.183 0.000 1.076 58 L CA 2.254 57.175 54.840 0.136 0.000 0.749 58 L CB -0.809 41.327 42.059 0.128 0.000 0.893 58 L HN 0.342 nan 8.230 nan 0.000 0.432 59 A N -1.076 121.826 122.820 0.137 0.000 1.902 59 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 59 A C 2.273 179.921 177.584 0.108 0.000 1.181 59 A CA 1.768 53.871 52.037 0.109 0.000 0.623 59 A CB -0.752 18.296 19.000 0.079 0.000 0.818 59 A HN 0.589 nan 8.150 nan 0.000 0.443 60 Q N -0.977 118.890 119.800 0.111 0.000 2.096 60 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 60 Q C 1.721 177.794 176.000 0.123 0.000 0.982 60 Q CA 2.211 58.072 55.803 0.096 0.000 0.850 60 Q CB -0.618 28.173 28.738 0.088 0.000 0.901 60 Q HN 0.627 nan 8.270 nan 0.000 0.422 61 F N -0.213 119.747 119.950 0.017 0.000 2.095 61 F HA -0.270 4.257 4.527 -0.001 0.000 0.298 61 F C 2.053 177.858 175.800 0.009 0.000 1.104 61 F CA 1.700 59.707 58.000 0.012 0.000 1.232 61 F CB -0.701 38.308 39.000 0.015 0.000 0.987 61 F HN 0.211 nan 8.300 nan 0.000 0.475 62 C N 0.876 120.233 119.300 0.095 0.000 2.413 62 C HA -0.203 4.257 4.460 -0.000 0.000 0.276 62 C C 2.704 177.638 174.990 -0.093 0.000 1.248 62 C CA 1.550 60.551 59.018 -0.029 0.000 1.742 62 C CB -1.222 26.563 27.740 0.075 0.000 2.017 62 C HN 0.479 nan 8.230 nan 0.000 0.481 63 K N 0.570 120.945 120.400 -0.041 0.000 2.025 63 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 63 K C 1.988 178.538 176.600 -0.083 0.000 1.049 63 K CA 1.416 57.677 56.287 -0.043 0.000 0.933 63 K CB -0.199 32.295 32.500 -0.009 0.000 0.714 63 K HN 0.582 nan 8.250 nan 0.000 0.438 64 E N 0.474 120.611 120.200 -0.106 0.000 2.072 64 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 64 E C 1.515 177.998 176.600 -0.196 0.000 0.985 64 E CA 0.827 57.152 56.400 -0.124 0.000 0.801 64 E CB 0.169 29.813 29.700 -0.094 0.000 0.750 64 E HN 0.037 nan 8.360 nan 0.000 0.452 65 K N 0.744 120.939 120.400 -0.341 0.000 2.487 65 K HA 0.033 4.353 4.320 -0.000 0.000 0.192 65 K C -0.132 176.333 176.600 -0.225 0.000 1.027 65 K CA 0.192 56.264 56.287 -0.358 0.000 1.054 65 K CB 0.169 32.280 32.500 -0.649 0.000 0.824 65 K HN 0.079 nan 8.250 nan 0.000 0.510 66 K N 1.081 121.381 120.400 -0.166 0.000 3.148 66 K HA -0.165 4.155 4.320 -0.000 0.000 0.267 66 K C -0.316 176.218 176.600 -0.110 0.000 0.996 66 K CA 0.283 56.506 56.287 -0.108 0.000 0.737 66 K CB -1.304 31.147 32.500 -0.082 0.000 1.308 66 K HN 0.046 nan 8.250 nan 0.000 0.470 67 I N 1.470 121.965 120.570 -0.124 0.000 2.533 67 I HA -0.030 4.140 4.170 -0.000 0.000 0.284 67 I C 1.952 178.021 176.117 -0.079 0.000 1.109 67 I CA 0.474 61.709 61.300 -0.109 0.000 1.412 67 I CB 1.104 39.061 38.000 -0.072 0.000 1.396 67 I HN 0.321 nan 8.210 nan 0.000 0.543 68 E N 6.270 126.390 120.200 -0.134 0.000 2.112 68 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 68 E C -0.425 176.207 176.600 0.053 0.000 0.979 68 E CA 0.949 57.308 56.400 -0.069 0.000 0.814 68 E CB 0.402 30.046 29.700 -0.094 0.000 0.762 68 E HN 0.558 nan 8.360 nan 0.000 0.460 69 F N -2.894 117.084 119.950 0.046 0.000 2.713 69 F HA 0.532 5.059 4.527 0.000 0.000 0.311 69 F C -1.224 174.614 175.800 0.063 0.000 1.141 69 F CA -1.557 56.468 58.000 0.041 0.000 0.939 69 F CB 0.997 40.007 39.000 0.017 0.000 1.325 69 F HN -0.419 nan 8.300 nan 0.000 0.453 70 V N 2.274 122.400 119.914 0.354 0.000 2.472 70 V HA 0.613 4.733 4.120 -0.000 0.000 0.290 70 V C -0.481 175.818 176.094 0.342 0.000 1.037 70 V CA -0.837 61.623 62.300 0.265 0.000 0.908 70 V CB 1.516 33.442 31.823 0.171 0.000 0.985 70 V HN 0.692 nan 8.190 nan 0.000 0.454 71 V N 5.222 125.319 119.914 0.305 0.000 2.417 71 V HA 0.400 4.520 4.120 -0.000 0.000 0.291 71 V C -0.133 176.106 176.094 0.243 0.000 1.024 71 V CA -0.627 61.866 62.300 0.323 0.000 0.861 71 V CB 1.829 33.836 31.823 0.307 0.000 0.985 71 V HN 0.610 nan 8.190 nan 0.000 0.436 72 V N 4.631 124.682 119.914 0.230 0.000 2.383 72 V HA 0.410 4.530 4.120 -0.000 0.000 0.275 72 V C 1.276 177.474 176.094 0.174 0.000 1.036 72 V CA 0.534 62.926 62.300 0.153 0.000 0.889 72 V CB 0.932 32.804 31.823 0.081 0.000 0.985 72 V HN 0.977 nan 8.190 nan 0.000 0.459 73 G N 6.862 115.755 108.800 0.155 0.000 2.425 73 G HA2 0.070 4.030 3.960 -0.000 0.000 0.213 73 G HA3 0.070 4.030 3.960 -0.000 0.000 0.213 73 G C -1.721 173.255 174.900 0.128 0.000 1.201 73 G CA 0.458 45.656 45.100 0.163 0.000 0.799 73 G HN 0.616 nan 8.290 nan 0.000 0.534 74 P HA 0.320 nan 4.420 nan 0.000 0.283 74 P C 0.036 177.362 177.300 0.042 0.000 1.278 74 P CA -0.408 62.731 63.100 0.064 0.000 0.834 74 P CB 2.112 33.847 31.700 0.058 0.000 1.150 75 E N 1.290 121.504 120.200 0.023 0.000 2.107 75 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 75 E C 1.900 178.504 176.600 0.007 0.000 0.982 75 E CA 1.650 58.053 56.400 0.005 0.000 0.809 75 E CB -1.121 28.573 29.700 -0.009 0.000 0.756 75 E HN 0.413 nan 8.360 nan 0.000 0.459 76 A N 1.256 124.087 122.820 0.018 0.000 1.873 76 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 76 A C -0.097 177.504 177.584 0.029 0.000 1.193 76 A CA 1.943 53.993 52.037 0.021 0.000 0.629 76 A CB -1.858 17.159 19.000 0.029 0.000 0.826 76 A HN 0.349 nan 8.150 nan 0.000 0.447 77 P HA -0.096 nan 4.420 nan 0.000 0.218 77 P C 1.375 178.681 177.300 0.010 0.000 1.149 77 P CA 0.790 63.923 63.100 0.055 0.000 0.817 77 P CB -0.141 31.594 31.700 0.059 0.000 0.785 78 L N -0.945 120.269 121.223 -0.016 0.000 2.056 78 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 78 L C 2.455 179.292 176.870 -0.054 0.000 1.078 78 L CA 1.583 56.389 54.840 -0.056 0.000 0.749 78 L CB -1.233 40.784 42.059 -0.069 0.000 0.901 78 L HN -0.062 nan 8.230 nan 0.000 0.433 79 A N -0.104 122.696 122.820 -0.033 0.000 2.067 79 A HA -0.001 4.319 4.320 -0.000 0.000 0.219 79 A C 2.272 179.846 177.584 -0.018 0.000 1.158 79 A CA 1.347 53.363 52.037 -0.036 0.000 0.661 79 A CB -0.488 18.497 19.000 -0.025 0.000 0.801 79 A HN 0.380 nan 8.150 nan 0.000 0.452 80 A N -1.596 121.232 122.820 0.012 0.000 2.251 80 A HA 0.428 4.748 4.320 -0.000 0.000 0.209 80 A C 1.618 179.245 177.584 0.072 0.000 1.187 80 A CA 1.029 53.100 52.037 0.056 0.000 0.823 80 A CB -0.908 18.157 19.000 0.107 0.000 0.846 80 A HN 1.813 nan 8.150 nan 0.000 0.486 81 G N -0.494 108.301 108.800 -0.008 0.000 2.137 81 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.237 81 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.237 81 G C 0.766 175.579 174.900 -0.144 0.000 1.002 81 G CA 0.355 45.426 45.100 -0.048 0.000 0.702 81 G HN 0.593 nan 8.290 nan 0.000 0.515 82 I N -0.350 120.079 120.570 -0.235 0.000 2.264 82 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 82 I C 2.562 178.497 176.117 -0.304 0.000 1.111 82 I CA 1.983 62.974 61.300 -0.515 0.000 1.382 82 I CB -0.014 37.773 38.000 -0.354 0.000 1.060 82 I HN 0.218 nan 8.210 nan 0.000 0.418 83 V N 0.742 120.544 119.914 -0.186 0.000 2.307 83 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 83 V C 2.553 178.576 176.094 -0.118 0.000 1.045 83 V CA 2.014 64.230 62.300 -0.140 0.000 1.024 83 V CB -1.429 30.303 31.823 -0.150 0.000 0.651 83 V HN 0.596 nan 8.190 nan 0.000 0.449 84 G N 0.052 108.785 108.800 -0.113 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 1.353 176.216 174.900 -0.062 0.000 1.158 84 G CA 1.187 46.239 45.100 -0.080 0.000 0.771 84 G HN 0.633 nan 8.290 nan 0.000 0.545 85 N N 0.262 118.917 118.700 -0.076 0.000 2.043 85 N HA -0.071 4.669 4.740 -0.000 0.000 0.193 85 N C 2.210 177.700 175.510 -0.034 0.000 1.037 85 N CA 1.000 54.027 53.050 -0.038 0.000 0.851 85 N CB -0.247 38.240 38.487 0.000 0.000 1.027 85 N HN 0.218 nan 8.380 nan 0.000 0.422 86 L N 0.841 122.020 121.223 -0.074 0.000 2.083 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 86 L C 2.500 179.364 176.870 -0.009 0.000 1.083 86 L CA 1.095 55.919 54.840 -0.026 0.000 0.752 86 L CB -0.378 41.664 42.059 -0.028 0.000 0.899 86 L HN 0.185 nan 8.230 nan 0.000 0.433 87 R N 0.031 120.515 120.500 -0.026 0.000 2.081 87 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 87 R C 2.513 178.807 176.300 -0.010 0.000 1.131 87 R CA 1.717 57.806 56.100 -0.018 0.000 0.960 87 R CB -0.245 30.034 30.300 -0.034 0.000 0.856 87 R HN 0.445 nan 8.270 nan 0.000 0.436 88 S N -0.194 115.500 115.700 -0.010 0.000 2.522 88 S HA 0.066 4.536 4.470 -0.000 0.000 0.227 88 S C 1.722 176.326 174.600 0.007 0.000 0.986 88 S CA 0.609 58.807 58.200 -0.003 0.000 0.929 88 S CB 0.463 63.661 63.200 -0.004 0.000 0.769 88 S HN 0.298 nan 8.310 nan 0.000 0.529 89 A N 0.888 123.715 122.820 0.013 0.000 2.278 89 A HA 0.604 4.924 4.320 -0.000 0.000 0.212 89 A C 1.581 179.177 177.584 0.020 0.000 1.213 89 A CA 0.241 52.291 52.037 0.021 0.000 0.840 89 A CB -1.023 17.997 19.000 0.032 0.000 0.866 89 A HN 1.393 nan 8.150 nan 0.000 0.489 90 G N -1.552 107.257 108.800 0.015 0.000 2.132 90 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.228 90 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.228 90 G C -0.071 174.844 174.900 0.025 0.000 1.000 90 G CA 0.106 45.217 45.100 0.017 0.000 0.693 90 G HN 0.850 nan 8.290 nan 0.000 0.515 91 V N 0.977 120.909 119.914 0.030 0.000 2.448 91 V HA 0.420 4.540 4.120 -0.000 0.000 0.295 91 V C 0.604 176.732 176.094 0.056 0.000 1.025 91 V CA -0.794 61.534 62.300 0.048 0.000 0.859 91 V CB 1.762 33.618 31.823 0.055 0.000 0.988 91 V HN 0.419 nan 8.190 nan 0.000 0.431 92 Q N 2.266 122.118 119.800 0.087 0.000 2.332 92 Q HA 0.341 4.681 4.340 -0.000 0.000 0.263 92 Q C -0.472 175.610 176.000 0.137 0.000 0.979 92 Q CA 0.119 55.982 55.803 0.100 0.000 0.885 92 Q CB 1.325 30.145 28.738 0.137 0.000 1.218 92 Q HN 0.770 nan 8.270 nan 0.000 0.405 93 C N 4.415 123.768 119.300 0.088 0.000 2.516 93 C HA 0.439 4.899 4.460 -0.000 0.000 0.338 93 C C -1.012 174.029 174.990 0.086 0.000 1.132 93 C CA -0.884 58.195 59.018 0.101 0.000 1.310 93 C CB 0.057 27.814 27.740 0.030 0.000 1.898 93 C HN 0.855 nan 8.230 nan 0.000 0.452 94 F N 5.606 125.537 119.950 -0.031 0.000 2.438 94 F HA 0.674 5.201 4.527 -0.000 0.000 0.356 94 F C 0.608 176.376 175.800 -0.054 0.000 1.099 94 F CA 1.665 59.618 58.000 -0.078 0.000 1.185 94 F CB 0.622 39.573 39.000 -0.080 0.000 1.115 94 F HN 1.078 nan 8.300 nan 0.000 0.526 95 G N 5.884 114.315 108.800 -0.615 0.000 2.326 95 G HA2 0.156 4.116 3.960 -0.000 0.000 0.413 95 G HA3 0.156 4.116 3.960 -0.000 0.000 0.413 95 G C -3.444 171.165 174.900 -0.484 0.000 1.444 95 G CA -1.166 43.636 45.100 -0.496 0.000 1.002 95 G HN 0.493 nan 8.290 nan 0.000 0.649 96 P HA 0.361 nan 4.420 nan 0.000 0.277 96 P C 0.852 177.932 177.300 -0.367 0.000 1.240 96 P CA 0.104 62.832 63.100 -0.621 0.000 0.798 96 P CB 0.882 32.072 31.700 -0.851 0.000 0.979 97 T N -1.405 112.961 114.554 -0.312 0.000 2.734 97 T HA 0.177 4.527 4.350 -0.000 0.000 0.314 97 T C 1.625 176.213 174.700 -0.188 0.000 1.057 97 T CA 0.147 62.123 62.100 -0.207 0.000 1.047 97 T CB -0.065 68.704 68.868 -0.165 0.000 0.991 97 T HN 0.434 nan 8.240 nan 0.000 0.540 98 A N 0.034 122.768 122.820 -0.142 0.000 1.972 98 A HA -0.075 4.245 4.320 -0.000 0.000 0.219 98 A C 2.352 179.841 177.584 -0.157 0.000 1.169 98 A CA 1.704 53.664 52.037 -0.128 0.000 0.635 98 A CB -1.022 17.923 19.000 -0.092 0.000 0.810 98 A HN 1.004 nan 8.150 nan 0.000 0.446 99 E N -0.457 119.650 120.200 -0.156 0.000 2.077 99 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 99 E C 2.217 178.685 176.600 -0.220 0.000 0.989 99 E CA 1.001 57.289 56.400 -0.187 0.000 0.800 99 E CB -0.190 29.433 29.700 -0.129 0.000 0.746 99 E HN 0.605 nan 8.360 nan 0.000 0.452 100 A N 0.688 123.406 122.820 -0.169 0.000 2.014 100 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 100 A C 2.134 179.686 177.584 -0.053 0.000 1.163 100 A CA 1.211 53.186 52.037 -0.104 0.000 0.652 100 A CB -0.180 18.714 19.000 -0.176 0.000 0.808 100 A HN 0.284 nan 8.150 nan 0.000 0.449 101 A N -0.662 122.088 122.820 -0.117 0.000 2.235 101 A HA 0.037 4.357 4.320 -0.000 0.000 0.208 101 A C 1.722 179.252 177.584 -0.091 0.000 1.172 101 A CA 0.697 52.701 52.037 -0.055 0.000 0.786 101 A CB -0.477 18.475 19.000 -0.080 0.000 0.804 101 A HN 0.645 nan 8.150 nan 0.000 0.479 102 Q N -0.368 119.305 119.800 -0.211 0.000 2.297 102 Q HA -0.134 4.206 4.340 -0.000 0.000 0.208 102 Q C 1.552 177.523 176.000 -0.049 0.000 0.981 102 Q CA 1.090 56.702 55.803 -0.318 0.000 0.876 102 Q CB -0.386 27.786 28.738 -0.944 0.000 0.921 102 Q HN 0.732 nan 8.270 nan 0.000 0.446 103 L N 0.424 121.654 121.223 0.012 0.000 2.131 103 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 103 L C 2.581 179.549 176.870 0.164 0.000 1.092 103 L CA 1.010 55.900 54.840 0.084 0.000 0.759 103 L CB -0.308 41.576 42.059 -0.291 0.000 0.903 103 L HN 0.268 nan 8.230 nan 0.000 0.435 104 E N -0.006 120.244 120.200 0.082 0.000 2.127 104 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 104 E C 2.159 178.782 176.600 0.037 0.000 0.964 104 E CA 1.299 57.742 56.400 0.070 0.000 0.832 104 E CB 0.205 29.925 29.700 0.033 0.000 0.790 104 E HN 0.445 nan 8.360 nan 0.000 0.465 105 S N -0.342 115.360 115.700 0.004 0.000 2.527 105 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 105 S C 1.048 175.650 174.600 0.003 0.000 0.985 105 S CA 0.190 58.383 58.200 -0.011 0.000 0.921 105 S CB 0.084 63.260 63.200 -0.040 0.000 0.772 105 S HN 0.063 nan 8.310 nan 0.000 0.529 106 S N 0.313 116.031 115.700 0.030 0.000 2.789 106 S HA 0.452 4.922 4.470 -0.000 0.000 0.286 106 S C 0.216 174.877 174.600 0.101 0.000 1.153 106 S CA -0.841 57.396 58.200 0.063 0.000 1.084 106 S CB 1.118 64.359 63.200 0.069 0.000 1.036 106 S HN 0.250 nan 8.310 nan 0.000 0.484 107 K N 2.707 123.139 120.400 0.053 0.000 2.209 107 K HA -0.029 4.291 4.320 -0.000 0.000 0.204 107 K C 2.230 178.801 176.600 -0.049 0.000 1.048 107 K CA 0.777 57.069 56.287 0.009 0.000 0.940 107 K CB -0.010 32.484 32.500 -0.010 0.000 0.729 107 K HN 0.564 nan 8.250 nan 0.000 0.451 108 R N 0.369 120.870 120.500 0.002 0.000 2.062 108 R HA -0.147 4.193 4.340 -0.000 0.000 0.231 108 R C 2.134 178.421 176.300 -0.022 0.000 1.136 108 R CA 1.458 57.539 56.100 -0.032 0.000 0.948 108 R CB -0.360 29.981 30.300 0.069 0.000 0.845 108 R HN 0.164 nan 8.270 nan 0.000 0.430 109 F N 1.339 121.268 119.950 -0.036 0.000 2.091 109 F HA -0.238 4.290 4.527 0.000 0.000 0.299 109 F C 2.184 177.999 175.800 0.025 0.000 1.103 109 F CA 1.935 59.939 58.000 0.006 0.000 1.228 109 F CB -0.520 38.482 39.000 0.004 0.000 0.984 109 F HN 0.153 nan 8.300 nan 0.000 0.477 110 A N 0.475 123.361 122.820 0.110 0.000 1.908 110 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 110 A C 2.240 179.794 177.584 -0.050 0.000 1.181 110 A CA 1.794 53.889 52.037 0.097 0.000 0.627 110 A CB -0.613 18.523 19.000 0.226 0.000 0.818 110 A HN 0.339 nan 8.150 nan 0.000 0.445 111 K N -0.096 120.109 120.400 -0.325 0.000 2.097 111 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 111 K C 1.805 178.086 176.600 -0.532 0.000 1.050 111 K CA 1.577 57.426 56.287 -0.730 0.000 0.938 111 K CB -0.391 31.131 32.500 -1.630 0.000 0.718 111 K HN 0.704 nan 8.250 nan 0.000 0.442 112 E N -0.195 119.797 120.200 -0.346 0.000 2.107 112 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 112 E C 1.815 178.351 176.600 -0.106 0.000 0.982 112 E CA 0.557 56.914 56.400 -0.071 0.000 0.809 112 E CB -0.171 29.513 29.700 -0.027 0.000 0.756 112 E HN 0.201 nan 8.360 nan 0.000 0.459 113 F N 1.153 120.882 119.950 -0.367 0.000 2.095 113 F HA -0.235 4.293 4.527 0.000 0.000 0.298 113 F C 2.110 177.881 175.800 -0.049 0.000 1.104 113 F CA 1.513 59.339 58.000 -0.290 0.000 1.232 113 F CB -0.064 38.661 39.000 -0.459 0.000 0.987 113 F HN -0.052 nan 8.300 nan 0.000 0.475 114 M N 0.095 119.745 119.600 0.082 0.000 2.080 114 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 114 M C 1.765 178.027 176.300 -0.063 0.000 1.068 114 M CA 2.014 57.339 55.300 0.042 0.000 1.109 114 M CB -0.655 31.997 32.600 0.087 0.000 1.342 114 M HN 0.070 nan 8.290 nan 0.000 0.405 115 D N -0.241 120.143 120.400 -0.025 0.000 2.144 115 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 115 D C 1.939 178.155 176.300 -0.141 0.000 0.984 115 D CA 1.063 55.066 54.000 0.004 0.000 0.834 115 D CB -0.319 40.570 40.800 0.149 0.000 0.955 115 D HN 0.250 nan 8.370 nan 0.000 0.465 116 R N -0.320 120.011 120.500 -0.283 0.000 2.127 116 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 116 R C 0.802 176.677 176.300 -0.707 0.000 1.134 116 R CA 1.136 56.924 56.100 -0.520 0.000 0.975 116 R CB 0.092 29.973 30.300 -0.699 0.000 0.865 116 R HN 0.349 nan 8.270 nan 0.000 0.447 117 H N -2.013 116.861 119.070 -0.326 0.000 2.567 117 H HA 0.192 4.748 4.556 0.000 0.000 0.267 117 H C 0.547 175.776 175.328 -0.164 0.000 1.148 117 H CA 0.462 56.343 56.048 -0.280 0.000 1.031 117 H CB 1.183 30.686 29.762 -0.432 0.000 1.691 117 H HN 0.425 nan 8.280 nan 0.000 0.588 118 G N 2.021 110.789 108.800 -0.054 0.000 2.283 118 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.280 118 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.280 118 G C 0.177 175.077 174.900 -0.000 0.000 1.029 118 G CA 0.108 45.194 45.100 -0.023 0.000 0.840 118 G HN 0.407 nan 8.290 nan 0.000 0.505 119 I N 2.114 122.691 120.570 0.012 0.000 2.352 119 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 119 I C -1.362 174.767 176.117 0.021 0.000 1.036 119 I CA -2.166 59.157 61.300 0.040 0.000 1.336 119 I CB 1.233 39.300 38.000 0.112 0.000 1.407 119 I HN -0.013 nan 8.210 nan 0.000 0.497 120 P HA 0.254 nan 4.420 nan 0.000 0.278 120 P C -0.436 176.845 177.300 -0.031 0.000 1.238 120 P CA -0.103 62.991 63.100 -0.011 0.000 0.794 120 P CB 1.848 33.538 31.700 -0.016 0.000 0.955 121 T N 0.047 114.585 114.554 -0.027 0.000 2.722 121 T HA 0.522 4.872 4.350 -0.000 0.000 0.314 121 T C -1.444 173.252 174.700 -0.007 0.000 1.675 121 T CA -0.419 61.653 62.100 -0.046 0.000 1.003 121 T CB 0.433 69.255 68.868 -0.077 0.000 1.602 121 T HN 0.436 nan 8.240 nan 0.000 0.496 122 A N 1.974 124.793 122.820 -0.001 0.000 2.462 122 A HA 0.501 4.821 4.320 -0.000 0.000 0.243 122 A C 0.461 178.114 177.584 0.116 0.000 1.076 122 A CA -0.030 52.025 52.037 0.031 0.000 0.773 122 A CB -0.167 18.865 19.000 0.054 0.000 1.010 122 A HN 0.805 nan 8.150 nan 0.000 0.493 123 Q N 1.287 121.071 119.800 -0.027 0.000 2.369 123 Q HA 0.250 4.590 4.340 -0.000 0.000 0.295 123 Q C -0.187 175.934 176.000 0.202 0.000 1.075 123 Q CA 1.033 56.789 55.803 -0.078 0.000 0.941 123 Q CB 0.517 28.836 28.738 -0.698 0.000 1.260 123 Q HN 0.798 nan 8.270 nan 0.000 0.417 124 W N 0.115 121.456 121.300 0.069 0.000 2.959 124 W HA 0.725 5.385 4.660 0.000 0.000 0.358 124 W C -1.876 174.682 176.519 0.065 0.000 1.228 124 W CA -0.875 56.568 57.345 0.162 0.000 1.183 124 W CB 1.170 30.666 29.460 0.060 0.000 1.467 124 W HN 0.601 nan 8.180 nan 0.000 0.578 125 K N 0.881 121.245 120.400 -0.059 0.000 2.568 125 K HA 0.634 4.954 4.320 -0.000 0.000 0.273 125 K C -1.409 175.040 176.600 -0.252 0.000 0.951 125 K CA -0.417 55.472 56.287 -0.662 0.000 0.854 125 K CB 2.468 34.245 32.500 -1.205 0.000 1.424 125 K HN 0.726 nan 8.250 nan 0.000 0.427 126 A N 2.084 124.628 122.820 -0.460 0.000 2.330 126 A HA 0.905 5.225 4.320 -0.000 0.000 0.329 126 A C -1.462 175.665 177.584 -0.761 0.000 1.135 126 A CA -0.505 51.398 52.037 -0.223 0.000 0.817 126 A CB 0.438 19.499 19.000 0.102 0.000 1.269 126 A HN 0.473 nan 8.150 nan 0.000 0.469 127 F N -0.868 119.100 119.950 0.030 0.000 2.608 127 F HA 0.429 4.956 4.527 -0.000 0.000 0.309 127 F C 1.084 176.900 175.800 0.028 0.000 1.103 127 F CA 0.009 58.014 58.000 0.008 0.000 0.954 127 F CB 2.716 41.716 39.000 -0.000 0.000 1.267 127 F HN 0.599 nan 8.300 nan 0.000 0.444 128 T N -2.558 112.110 114.554 0.191 0.000 2.985 128 T HA 0.315 4.665 4.350 -0.000 0.000 0.254 128 T C 0.143 174.914 174.700 0.117 0.000 1.021 128 T CA -0.092 62.083 62.100 0.126 0.000 0.957 128 T CB -0.012 68.903 68.868 0.077 0.000 1.047 128 T HN 0.259 nan 8.240 nan 0.000 0.511 129 K N 2.635 123.123 120.400 0.147 0.000 2.244 129 K HA 0.457 4.777 4.320 -0.000 0.000 0.260 129 K C -1.974 174.667 176.600 0.069 0.000 0.951 129 K CA -2.634 53.712 56.287 0.097 0.000 0.826 129 K CB 1.989 34.541 32.500 0.087 0.000 1.108 129 K HN -0.179 nan 8.250 nan 0.000 0.433 130 P HA -0.230 nan 4.420 nan 0.000 0.215 130 P C 0.273 177.543 177.300 -0.049 0.000 1.157 130 P CA 1.473 64.564 63.100 -0.015 0.000 0.868 130 P CB 0.386 32.085 31.700 -0.003 0.000 0.788 131 E N 0.358 120.547 120.200 -0.019 0.000 2.049 131 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 131 E C 2.030 178.605 176.600 -0.043 0.000 1.007 131 E CA 1.457 57.843 56.400 -0.023 0.000 0.809 131 E CB -0.477 29.224 29.700 0.001 0.000 0.749 131 E HN 0.322 nan 8.360 nan 0.000 0.450 132 E N 0.480 120.673 120.200 -0.012 0.000 2.204 132 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 132 E C 1.794 178.230 176.600 -0.272 0.000 0.989 132 E CA 0.968 57.378 56.400 0.018 0.000 0.824 132 E CB -0.154 29.677 29.700 0.217 0.000 0.756 132 E HN 0.310 nan 8.360 nan 0.000 0.477 133 A N -0.121 122.363 122.820 -0.561 0.000 1.930 133 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 133 A C 2.309 179.629 177.584 -0.441 0.000 1.175 133 A CA 1.218 52.611 52.037 -1.074 0.000 0.627 133 A CB -0.787 17.784 19.000 -0.715 0.000 0.815 133 A HN 0.402 nan 8.150 nan 0.000 0.443 134 C N -1.376 117.788 119.300 -0.227 0.000 2.446 134 C HA -0.050 4.410 4.460 -0.000 0.000 0.277 134 C C 3.201 178.136 174.990 -0.091 0.000 1.275 134 C CA 1.195 60.138 59.018 -0.125 0.000 1.727 134 C CB -1.125 26.566 27.740 -0.082 0.000 2.010 134 C HN 0.667 nan 8.230 nan 0.000 0.486 135 S N 0.095 115.757 115.700 -0.064 0.000 2.381 135 S HA -0.267 4.203 4.470 -0.000 0.000 0.230 135 S C 1.597 176.203 174.600 0.010 0.000 1.052 135 S CA 2.163 60.356 58.200 -0.011 0.000 1.068 135 S CB -0.450 62.773 63.200 0.039 0.000 0.918 135 S HN 0.625 nan 8.310 nan 0.000 0.448 136 F N 1.106 120.970 119.950 -0.143 0.000 2.234 136 F HA 0.213 4.740 4.527 0.000 0.000 0.296 136 F C 1.789 177.506 175.800 -0.138 0.000 1.089 136 F CA 0.832 58.781 58.000 -0.087 0.000 1.343 136 F CB -0.301 38.710 39.000 0.019 0.000 1.040 136 F HN 0.205 nan 8.300 nan 0.000 0.498 137 I N 0.140 120.621 120.570 -0.148 0.000 2.179 137 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 137 I C 2.237 178.201 176.117 -0.254 0.000 1.088 137 I CA 1.391 62.558 61.300 -0.222 0.000 1.357 137 I CB -0.477 37.460 38.000 -0.104 0.000 1.051 137 I HN 0.154 nan 8.210 nan 0.000 0.409 138 L N -0.030 121.087 121.223 -0.176 0.000 2.141 138 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 138 L C 2.468 179.228 176.870 -0.183 0.000 1.094 138 L CA 1.537 56.288 54.840 -0.149 0.000 0.763 138 L CB -0.484 41.517 42.059 -0.096 0.000 0.908 138 L HN 0.351 nan 8.230 nan 0.000 0.437 139 S N -0.890 114.680 115.700 -0.217 0.000 2.511 139 S HA 0.280 4.750 4.470 -0.000 0.000 0.214 139 S C 0.991 175.404 174.600 -0.311 0.000 0.997 139 S CA -0.070 58.010 58.200 -0.200 0.000 0.908 139 S CB 0.052 63.185 63.200 -0.111 0.000 0.803 139 S HN 0.160 nan 8.310 nan 0.000 0.504 140 A N 2.746 125.233 122.820 -0.554 0.000 2.462 140 A HA 0.335 4.655 4.320 -0.000 0.000 0.243 140 A C 1.180 178.403 177.584 -0.601 0.000 1.076 140 A CA 0.131 51.670 52.037 -0.831 0.000 0.773 140 A CB 0.217 18.289 19.000 -1.546 0.000 1.010 140 A HN 0.555 nan 8.150 nan 0.000 0.493 141 D N 1.595 121.701 120.400 -0.490 0.000 2.183 141 D HA -0.039 4.601 4.640 -0.000 0.000 0.205 141 D C 0.533 176.742 176.300 -0.152 0.000 0.962 141 D CA 0.585 54.456 54.000 -0.216 0.000 0.849 141 D CB -0.476 40.292 40.800 -0.053 0.000 0.978 141 D HN 0.550 nan 8.370 nan 0.000 0.488 142 F N 1.110 121.011 119.950 -0.081 0.000 2.399 142 F HA 0.449 4.976 4.527 -0.000 0.000 0.342 142 F C -2.196 173.565 175.800 -0.065 0.000 1.106 142 F CA -3.258 54.711 58.000 -0.052 0.000 1.196 142 F CB -0.286 38.700 39.000 -0.023 0.000 1.163 142 F HN -0.322 nan 8.300 nan 0.000 0.547 143 P HA -0.012 nan 4.420 nan 0.000 0.248 143 P C -0.276 177.090 177.300 0.111 0.000 1.550 143 P CA 0.263 63.394 63.100 0.052 0.000 1.252 143 P CB -0.447 31.296 31.700 0.072 0.000 1.869 144 A N 3.792 126.593 122.820 -0.032 0.000 2.899 144 A HA 0.163 4.483 4.320 -0.000 0.000 0.287 144 A C 0.987 178.609 177.584 0.063 0.000 1.715 144 A CA -0.001 52.076 52.037 0.067 0.000 1.393 144 A CB -0.951 17.925 19.000 -0.207 0.000 1.070 144 A HN 0.534 nan 8.150 nan 0.000 0.587 145 L N 1.984 123.270 121.223 0.106 0.000 2.966 145 L HA 0.168 4.508 4.340 -0.000 0.000 0.262 145 L C -0.523 176.399 176.870 0.087 0.000 1.165 145 L CA 0.069 54.951 54.840 0.070 0.000 0.978 145 L CB 0.682 42.770 42.059 0.047 0.000 1.337 145 L HN 0.355 nan 8.230 nan 0.000 0.563 146 V N 1.294 121.283 119.914 0.125 0.000 2.357 146 V HA 0.350 4.470 4.120 -0.000 0.000 0.284 146 V C -0.253 175.920 176.094 0.133 0.000 1.018 146 V CA -0.640 61.727 62.300 0.111 0.000 0.841 146 V CB 2.444 34.330 31.823 0.105 0.000 0.991 146 V HN -0.047 nan 8.190 nan 0.000 0.437 147 V N 6.141 126.117 119.914 0.103 0.000 2.487 147 V HA 0.663 4.783 4.120 -0.000 0.000 0.298 147 V C -0.557 175.591 176.094 0.090 0.000 1.028 147 V CA -0.408 61.960 62.300 0.113 0.000 0.860 147 V CB 1.623 33.502 31.823 0.094 0.000 0.991 147 V HN 0.917 nan 8.190 nan 0.000 0.427 148 K N 5.769 126.231 120.400 0.103 0.000 2.463 148 K HA 0.755 5.075 4.320 -0.000 0.000 0.255 148 K C -0.261 176.386 176.600 0.078 0.000 0.942 148 K CA -0.420 55.913 56.287 0.077 0.000 0.814 148 K CB 2.153 34.692 32.500 0.066 0.000 1.122 148 K HN 0.933 nan 8.250 nan 0.000 0.425 149 A N 1.595 124.451 122.820 0.060 0.000 2.498 149 A HA 0.047 4.367 4.320 -0.000 0.000 0.239 149 A C 1.194 178.808 177.584 0.050 0.000 1.068 149 A CA 0.072 52.143 52.037 0.056 0.000 0.766 149 A CB 0.769 19.795 19.000 0.043 0.000 1.003 149 A HN 0.778 nan 8.150 nan 0.000 0.497 150 S N 1.642 117.375 115.700 0.055 0.000 2.395 150 S HA 0.109 4.579 4.470 -0.000 0.000 0.225 150 S C 1.262 175.883 174.600 0.036 0.000 1.027 150 S CA 1.021 59.250 58.200 0.048 0.000 0.965 150 S CB -0.418 62.818 63.200 0.059 0.000 0.812 150 S HN 1.179 nan 8.310 nan 0.000 0.482 151 G N 0.723 109.543 108.800 0.032 0.000 2.569 151 G HA2 0.497 4.457 3.960 -0.000 0.000 0.249 151 G HA3 0.497 4.457 3.960 -0.000 0.000 0.249 151 G C -0.482 174.429 174.900 0.018 0.000 1.216 151 G CA -0.046 45.067 45.100 0.022 0.000 0.845 151 G HN 0.675 nan 8.290 nan 0.000 0.568 152 L N 0.014 121.243 121.223 0.011 0.000 2.313 152 L HA 0.797 5.137 4.340 -0.000 0.000 0.282 152 L C 0.784 177.661 176.870 0.010 0.000 1.092 152 L CA -0.189 54.655 54.840 0.008 0.000 0.831 152 L CB -0.192 41.868 42.059 0.001 0.000 1.159 152 L HN 1.479 nan 8.230 nan 0.000 0.442 158 V N 1.758 121.688 119.914 0.026 0.000 2.569 158 V HA 0.553 4.673 4.120 -0.000 0.000 0.301 158 V C -0.359 175.754 176.094 0.031 0.000 1.044 158 V CA -0.636 61.683 62.300 0.031 0.000 0.874 158 V CB 1.885 33.722 31.823 0.024 0.000 1.002 158 V HN 0.376 nan 8.190 nan 0.000 0.424 159 I N 4.905 125.497 120.570 0.038 0.000 2.378 159 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 159 I C -0.446 175.695 176.117 0.040 0.000 0.992 159 I CA -0.936 60.384 61.300 0.034 0.000 1.154 159 I CB 2.161 40.180 38.000 0.032 0.000 1.315 159 I HN 0.240 nan 8.210 nan 0.000 0.448 160 V N 6.364 126.299 119.914 0.035 0.000 2.320 160 V HA 0.409 4.529 4.120 -0.000 0.000 0.265 160 V C 0.715 176.829 176.094 0.033 0.000 1.048 160 V CA -0.363 61.960 62.300 0.038 0.000 0.865 160 V CB 0.861 32.704 31.823 0.034 0.000 1.043 160 V HN 0.847 nan 8.190 nan 0.000 0.474 161 A N 4.893 127.734 122.820 0.034 0.000 2.304 161 A HA 0.600 4.920 4.320 -0.000 0.000 0.271 161 A C 0.835 178.432 177.584 0.022 0.000 1.091 161 A CA -0.391 51.661 52.037 0.024 0.000 0.812 161 A CB 0.610 19.622 19.000 0.021 0.000 1.056 161 A HN 0.827 nan 8.150 nan 0.000 0.489 162 K N 0.011 120.420 120.400 0.015 0.000 2.374 162 K HA 0.169 4.489 4.320 -0.000 0.000 0.202 162 K C -0.042 176.561 176.600 0.004 0.000 1.040 162 K CA 0.654 56.949 56.287 0.013 0.000 1.085 162 K CB 0.527 33.035 32.500 0.013 0.000 0.873 162 K HN 0.723 nan 8.250 nan 0.000 0.539 163 S N -0.676 115.024 115.700 -0.001 0.000 2.588 163 S HA 0.354 4.824 4.470 -0.000 0.000 0.275 163 S C 0.408 174.997 174.600 -0.019 0.000 1.130 163 S CA -1.000 57.194 58.200 -0.011 0.000 0.855 163 S CB 2.238 65.431 63.200 -0.011 0.000 1.116 163 S HN -0.049 nan 8.310 nan 0.000 0.472 164 K N 1.049 121.429 120.400 -0.033 0.000 2.059 164 K HA -0.240 4.080 4.320 -0.000 0.000 0.212 164 K C 1.986 178.564 176.600 -0.037 0.000 1.050 164 K CA 2.081 58.340 56.287 -0.047 0.000 0.927 164 K CB -0.351 32.109 32.500 -0.066 0.000 0.714 164 K HN 0.853 nan 8.250 nan 0.000 0.447 165 E N 1.375 121.557 120.200 -0.029 0.000 2.049 165 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 165 E C 1.874 178.464 176.600 -0.016 0.000 1.007 165 E CA 1.692 58.078 56.400 -0.023 0.000 0.809 165 E CB 0.042 29.731 29.700 -0.018 0.000 0.749 165 E HN 0.286 nan 8.360 nan 0.000 0.450 166 E N -0.274 119.920 120.200 -0.010 0.000 2.085 166 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 166 E C 2.027 178.627 176.600 -0.000 0.000 0.994 166 E CA 0.899 57.298 56.400 -0.003 0.000 0.801 166 E CB -0.172 29.529 29.700 0.002 0.000 0.743 166 E HN 0.436 nan 8.360 nan 0.000 0.453 167 A N 0.473 123.292 122.820 -0.003 0.000 1.969 167 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 167 A C 2.390 179.970 177.584 -0.006 0.000 1.169 167 A CA 1.078 53.117 52.037 0.003 0.000 0.635 167 A CB -0.688 18.314 19.000 0.004 0.000 0.810 167 A HN 0.354 nan 8.150 nan 0.000 0.445 168 C N -0.853 118.435 119.300 -0.020 0.000 2.453 168 C HA -0.045 4.415 4.460 -0.000 0.000 0.277 168 C C 2.670 177.650 174.990 -0.016 0.000 1.262 168 C CA 1.294 60.296 59.018 -0.027 0.000 1.718 168 C CB -0.898 26.822 27.740 -0.033 0.000 2.031 168 C HN 0.687 nan 8.230 nan 0.000 0.480 169 K N 0.983 121.377 120.400 -0.010 0.000 2.103 169 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 169 K C 2.081 178.682 176.600 0.002 0.000 1.048 169 K CA 1.551 57.836 56.287 -0.004 0.000 0.930 169 K CB -0.267 32.231 32.500 -0.002 0.000 0.716 169 K HN 0.444 nan 8.250 nan 0.000 0.444 170 A N 0.487 123.311 122.820 0.006 0.000 1.972 170 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 170 A C 2.154 179.748 177.584 0.016 0.000 1.169 170 A CA 1.313 53.359 52.037 0.014 0.000 0.635 170 A CB -0.400 18.613 19.000 0.022 0.000 0.810 170 A HN 0.172 nan 8.150 nan 0.000 0.446 171 V N -0.277 119.641 119.914 0.007 0.000 2.427 171 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 171 V C 2.681 178.779 176.094 0.007 0.000 1.051 171 V CA 1.893 64.197 62.300 0.005 0.000 1.048 171 V CB -0.492 31.317 31.823 -0.024 0.000 0.666 171 V HN 0.545 nan 8.190 nan 0.000 0.456 172 Q N -0.418 119.384 119.800 0.002 0.000 2.137 172 Q HA -0.133 4.207 4.340 -0.000 0.000 0.198 172 Q C 2.223 178.229 176.000 0.010 0.000 0.960 172 Q CA 1.138 56.943 55.803 0.005 0.000 0.847 172 Q CB -0.120 28.618 28.738 -0.000 0.000 0.915 172 Q HN 0.694 nan 8.270 nan 0.000 0.448 173 E N 0.284 120.491 120.200 0.011 0.000 2.118 173 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 173 E C 1.946 178.557 176.600 0.018 0.000 0.992 173 E CA 0.802 57.210 56.400 0.013 0.000 0.804 173 E CB 0.028 29.736 29.700 0.013 0.000 0.741 173 E HN 0.325 nan 8.360 nan 0.000 0.458 174 I N -0.107 120.477 120.570 0.022 0.000 2.585 174 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 174 I C 1.594 177.730 176.117 0.031 0.000 1.129 174 I CA 0.422 61.739 61.300 0.029 0.000 1.455 174 I CB 0.126 38.149 38.000 0.038 0.000 1.111 174 I HN 0.032 nan 8.210 nan 0.000 0.433 175 M N 0.699 120.318 119.600 0.030 0.000 3.168 175 M HA -0.037 4.443 4.480 -0.000 0.000 0.202 175 M C 0.907 177.221 176.300 0.023 0.000 1.310 175 M CA 0.588 55.907 55.300 0.031 0.000 1.302 175 M CB -0.066 32.553 32.600 0.033 0.000 1.484 175 M HN 0.157 nan 8.290 nan 0.000 0.434 176 Q N 0.260 120.072 119.800 0.021 0.000 2.129 176 Q HA 0.434 4.774 4.340 -0.000 0.000 0.164 176 Q C -0.172 175.838 176.000 0.016 0.000 0.573 176 Q CA 1.339 57.152 55.803 0.017 0.000 0.812 176 Q CB 1.043 29.789 28.738 0.014 0.000 1.106 176 Q HN 0.335 nan 8.270 nan 0.000 0.405 177 E N -1.024 119.186 120.200 0.016 0.000 2.396 177 E HA 0.634 4.984 4.350 -0.000 0.000 0.280 177 E C -0.733 175.877 176.600 0.016 0.000 1.065 177 E CA 0.175 56.584 56.400 0.015 0.000 0.831 177 E CB 0.212 29.920 29.700 0.012 0.000 1.272 177 E HN 0.730 nan 8.360 nan 0.000 0.443 184 G N 0.061 108.880 108.800 0.031 0.000 4.184 184 G HA2 0.483 4.443 3.960 -0.000 0.000 0.282 184 G HA3 0.483 4.443 3.960 -0.000 0.000 0.282 184 G C -0.100 174.828 174.900 0.046 0.000 1.223 184 G CA 0.250 45.374 45.100 0.041 0.000 0.773 184 G HN 0.144 nan 8.290 nan 0.000 0.519 185 E N 0.079 120.307 120.200 0.046 0.000 2.442 185 E HA 0.094 4.444 4.350 -0.000 0.000 0.195 185 E C 0.653 177.291 176.600 0.064 0.000 1.030 185 E CA 0.583 57.013 56.400 0.050 0.000 0.869 185 E CB 0.566 30.291 29.700 0.040 0.000 0.857 185 E HN 0.350 nan 8.360 nan 0.000 0.505 186 T N 0.725 115.321 114.554 0.071 0.000 2.856 186 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 186 T C -0.266 174.499 174.700 0.108 0.000 1.008 186 T CA -0.671 61.484 62.100 0.092 0.000 0.997 186 T CB 1.232 70.149 68.868 0.081 0.000 0.992 186 T HN 0.091 nan 8.240 nan 0.000 0.454 187 I N -0.608 120.055 120.570 0.155 0.000 2.740 187 I HA 0.882 5.052 4.170 -0.000 0.000 0.303 187 I C -1.047 175.208 176.117 0.230 0.000 1.044 187 I CA -1.278 60.126 61.300 0.173 0.000 1.064 187 I CB 1.895 39.998 38.000 0.172 0.000 1.249 187 I HN 0.237 nan 8.210 nan 0.000 0.433 188 V N 5.542 125.581 119.914 0.209 0.000 2.417 188 V HA 0.477 4.597 4.120 -0.000 0.000 0.291 188 V C -0.007 176.267 176.094 0.299 0.000 1.024 188 V CA -0.369 62.091 62.300 0.266 0.000 0.861 188 V CB 1.574 33.498 31.823 0.169 0.000 0.985 188 V HN 0.538 nan 8.190 nan 0.000 0.436 189 I N 5.481 126.300 120.570 0.417 0.000 2.359 189 I HA 0.550 4.720 4.170 -0.000 0.000 0.294 189 I C 0.090 176.508 176.117 0.502 0.000 0.987 189 I CA -0.108 61.447 61.300 0.426 0.000 1.225 189 I CB 1.507 39.816 38.000 0.515 0.000 1.366 189 I HN 0.835 nan 8.210 nan 0.000 0.466 190 E N 5.051 125.497 120.200 0.409 0.000 2.429 190 E HA 0.368 4.718 4.350 -0.000 0.000 0.276 190 E C -1.191 175.616 176.600 0.346 0.000 0.953 190 E CA -0.985 55.664 56.400 0.416 0.000 0.787 190 E CB 1.573 31.456 29.700 0.305 0.000 1.307 190 E HN 0.523 nan 8.360 nan 0.000 0.458 191 E N 1.161 121.557 120.200 0.326 0.000 2.398 191 E HA 0.097 4.447 4.350 -0.000 0.000 0.263 191 E C -0.941 175.755 176.600 0.159 0.000 1.046 191 E CA -0.552 56.017 56.400 0.281 0.000 0.908 191 E CB 0.717 30.499 29.700 0.137 0.000 0.963 191 E HN 0.442 nan 8.360 nan 0.000 0.431 192 L N 6.259 127.566 121.223 0.140 0.000 2.261 192 L HA 0.293 4.633 4.340 -0.000 0.000 0.289 192 L C -1.064 175.844 176.870 0.063 0.000 1.059 192 L CA -0.070 54.822 54.840 0.087 0.000 0.816 192 L CB 0.405 42.508 42.059 0.075 0.000 1.191 192 L HN 0.499 nan 8.230 nan 0.000 0.431 193 L N 3.881 125.129 121.223 0.042 0.000 2.421 193 L HA 0.509 4.849 4.340 -0.000 0.000 0.263 193 L C -0.234 176.646 176.870 0.018 0.000 1.122 193 L CA -0.777 54.077 54.840 0.023 0.000 0.804 193 L CB 1.208 43.271 42.059 0.006 0.000 1.150 193 L HN 0.683 nan 8.230 nan 0.000 0.457 194 D N -0.463 119.945 120.400 0.013 0.000 2.450 194 D HA 0.858 5.498 4.640 -0.000 0.000 0.238 194 D C -0.100 176.200 176.300 0.000 0.000 1.020 194 D CA -0.451 53.555 54.000 0.009 0.000 1.010 194 D CB 2.204 43.013 40.800 0.015 0.000 1.342 194 D HN 0.778 nan 8.370 nan 0.000 0.530 195 G N -0.680 108.118 108.800 -0.003 0.000 2.340 195 G HA2 0.170 4.130 3.960 -0.000 0.000 0.282 195 G HA3 0.170 4.130 3.960 -0.000 0.000 0.282 195 G C -1.576 173.308 174.900 -0.027 0.000 1.312 195 G CA -0.979 44.115 45.100 -0.011 0.000 0.942 195 G HN 0.569 nan 8.290 nan 0.000 0.495 196 E N 0.442 120.613 120.200 -0.048 0.000 2.231 196 E HA 0.383 4.733 4.350 -0.000 0.000 0.277 196 E C -0.438 176.108 176.600 -0.091 0.000 0.999 196 E CA -0.456 55.897 56.400 -0.078 0.000 0.827 196 E CB 1.763 31.393 29.700 -0.116 0.000 1.101 196 E HN 0.428 nan 8.360 nan 0.000 0.393 197 E N 1.412 121.555 120.200 -0.096 0.000 2.283 197 E HA 0.312 4.662 4.350 -0.000 0.000 0.278 197 E C -0.513 176.007 176.600 -0.133 0.000 1.027 197 E CA -0.502 55.838 56.400 -0.100 0.000 0.843 197 E CB 1.594 31.246 29.700 -0.081 0.000 1.062 197 E HN 0.230 nan 8.360 nan 0.000 0.401 198 V N -0.808 119.019 119.914 -0.145 0.000 3.049 198 V HA 0.544 4.664 4.120 -0.000 0.000 0.309 198 V C -0.489 175.479 176.094 -0.209 0.000 1.148 198 V CA -1.000 61.191 62.300 -0.181 0.000 0.990 198 V CB 2.157 33.868 31.823 -0.186 0.000 1.039 198 V HN 0.499 nan 8.190 nan 0.000 0.430 199 S N 1.447 116.993 115.700 -0.256 0.000 2.429 199 S HA 0.596 5.066 4.470 -0.000 0.000 0.302 199 S C -0.421 173.921 174.600 -0.430 0.000 1.115 199 S CA -0.379 57.566 58.200 -0.424 0.000 1.095 199 S CB 0.751 63.725 63.200 -0.376 0.000 0.987 199 S HN 0.939 nan 8.310 nan 0.000 0.474 200 C N 4.760 123.769 119.300 -0.485 0.000 2.322 200 C HA 0.668 5.128 4.460 -0.000 0.000 0.324 200 C C -0.153 174.608 174.990 -0.381 0.000 1.249 200 C CA -0.758 58.048 59.018 -0.352 0.000 1.453 200 C CB -0.652 26.941 27.740 -0.244 0.000 2.145 200 C HN 0.728 nan 8.230 nan 0.000 0.466 201 L N 3.046 124.071 121.223 -0.330 0.000 2.303 201 L HA 0.904 5.244 4.340 -0.000 0.000 0.266 201 L C 0.110 176.830 176.870 -0.251 0.000 1.011 201 L CA 0.066 54.720 54.840 -0.310 0.000 0.818 201 L CB 1.687 43.546 42.059 -0.334 0.000 1.326 201 L HN 0.930 nan 8.230 nan 0.000 0.435 202 C N -1.560 117.588 119.300 -0.254 0.000 3.285 202 C HA 0.665 5.125 4.460 -0.000 0.000 0.325 202 C C -0.865 173.997 174.990 -0.214 0.000 1.304 202 C CA -1.353 57.562 59.018 -0.172 0.000 1.319 202 C CB 0.437 28.146 27.740 -0.051 0.000 1.640 202 C HN 0.490 nan 8.230 nan 0.000 0.477 203 F N 1.258 121.268 119.950 0.101 0.000 2.379 203 F HA 0.700 5.227 4.527 -0.000 0.000 0.332 203 F C 1.010 176.863 175.800 0.089 0.000 1.096 203 F CA 0.294 58.375 58.000 0.135 0.000 1.105 203 F CB 1.735 40.843 39.000 0.181 0.000 1.189 203 F HN 0.924 nan 8.300 nan 0.000 0.515 204 T N 0.431 115.137 114.554 0.252 0.000 2.956 204 T HA 0.264 4.614 4.350 -0.000 0.000 0.312 204 T C -0.398 174.362 174.700 0.099 0.000 1.151 204 T CA -0.815 61.378 62.100 0.154 0.000 1.024 204 T CB 1.001 69.936 68.868 0.112 0.000 1.140 204 T HN 0.641 nan 8.240 nan 0.000 0.473 205 D N 1.836 122.276 120.400 0.066 0.000 2.325 205 D HA 0.319 4.959 4.640 -0.000 0.000 0.225 205 D C 1.525 177.827 176.300 0.003 0.000 1.096 205 D CA 0.616 54.627 54.000 0.018 0.000 0.844 205 D CB -0.157 40.648 40.800 0.009 0.000 0.925 205 D HN 1.100 nan 8.370 nan 0.000 0.513 206 G N 0.922 109.737 108.800 0.026 0.000 2.213 206 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.226 206 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.226 206 G C 0.997 175.908 174.900 0.020 0.000 0.992 206 G CA 0.635 45.750 45.100 0.024 0.000 0.632 206 G HN 0.636 nan 8.290 nan 0.000 0.511 207 K N -1.092 119.319 120.400 0.018 0.000 2.585 207 K HA 0.373 4.693 4.320 -0.000 0.000 0.198 207 K C 0.661 177.272 176.600 0.019 0.000 1.403 207 K CA 1.020 57.315 56.287 0.013 0.000 1.021 207 K CB 0.108 32.612 32.500 0.006 0.000 1.558 207 K HN 0.178 nan 8.250 nan 0.000 0.524 208 T N 1.618 116.188 114.554 0.026 0.000 2.882 208 T HA 0.489 4.839 4.350 -0.000 0.000 0.287 208 T C -1.008 173.726 174.700 0.056 0.000 0.992 208 T CA -0.571 61.550 62.100 0.036 0.000 1.076 208 T CB 1.740 70.629 68.868 0.035 0.000 0.961 208 T HN 0.024 nan 8.240 nan 0.000 0.490 209 V N 2.609 122.558 119.914 0.058 0.000 2.444 209 V HA 0.667 4.787 4.120 -0.000 0.000 0.294 209 V C -0.096 176.061 176.094 0.105 0.000 1.022 209 V CA -0.923 61.421 62.300 0.073 0.000 0.850 209 V CB 1.403 33.246 31.823 0.034 0.000 0.992 209 V HN 1.050 nan 8.190 nan 0.000 0.426 210 A N 8.236 131.160 122.820 0.174 0.000 2.316 210 A HA 0.817 5.137 4.320 -0.000 0.000 0.324 210 A C -2.594 175.150 177.584 0.267 0.000 1.375 210 A CA -1.630 50.554 52.037 0.246 0.000 0.882 210 A CB 0.649 19.846 19.000 0.329 0.000 1.152 210 A HN 0.556 nan 8.150 nan 0.000 0.512 211 P HA 0.273 nan 4.420 nan 0.000 0.275 211 P C -0.264 177.032 177.300 -0.007 0.000 1.228 211 P CA 0.063 63.187 63.100 0.039 0.000 0.786 211 P CB 0.767 32.453 31.700 -0.023 0.000 0.927 212 M N 2.858 122.339 119.600 -0.198 0.000 2.471 212 M HA 0.427 4.907 4.480 -0.000 0.000 0.309 212 M C -2.169 173.747 176.300 -0.641 0.000 1.186 212 M CA -2.209 52.747 55.300 -0.572 0.000 1.008 212 M CB 0.444 32.818 32.600 -0.377 0.000 1.551 212 M HN 0.132 nan 8.290 nan 0.000 0.477 213 P HA 0.201 nan 4.420 nan 0.000 0.271 213 P C -2.536 174.566 177.300 -0.330 0.000 1.218 213 P CA -0.820 61.980 63.100 -0.499 0.000 0.780 213 P CB -0.543 30.894 31.700 -0.438 0.000 0.901 214 P HA 0.351 nan 4.420 nan 0.000 0.276 214 P C -1.148 176.033 177.300 -0.199 0.000 1.244 214 P CA -0.130 62.838 63.100 -0.220 0.000 0.801 214 P CB 0.889 32.475 31.700 -0.190 0.000 1.006 215 A N 1.486 124.173 122.820 -0.222 0.000 2.527 215 A HA 0.651 4.971 4.320 -0.000 0.000 0.293 215 A C -1.114 176.275 177.584 -0.325 0.000 1.117 215 A CA -0.543 51.343 52.037 -0.251 0.000 0.723 215 A CB 1.663 20.554 19.000 -0.182 0.000 1.313 215 A HN 0.562 nan 8.150 nan 0.000 0.411 216 Q N -0.098 119.379 119.800 -0.539 0.000 2.421 216 Q HA 0.516 4.856 4.340 -0.000 0.000 0.280 216 Q C -1.748 173.953 176.000 -0.497 0.000 1.085 216 Q CA -0.875 54.613 55.803 -0.524 0.000 0.807 216 Q CB 2.778 31.158 28.738 -0.597 0.000 1.405 216 Q HN 0.892 nan 8.270 nan 0.000 0.419 217 D N -0.716 119.526 120.400 -0.262 0.000 2.566 217 D HA 0.331 4.971 4.640 -0.000 0.000 0.254 217 D C -0.874 175.371 176.300 -0.092 0.000 1.090 217 D CA -0.521 53.425 54.000 -0.091 0.000 1.034 217 D CB 1.243 42.045 40.800 0.004 0.000 1.434 217 D HN 0.425 nan 8.370 nan 0.000 0.509 218 H N 0.090 119.210 119.070 0.084 0.000 2.727 218 H HA 0.250 4.806 4.556 -0.000 0.000 0.330 218 H C -0.110 175.283 175.328 0.109 0.000 0.986 218 H CA -0.484 55.635 56.048 0.118 0.000 1.251 218 H CB 2.329 32.197 29.762 0.176 0.000 1.493 218 H HN 0.284 nan 8.280 nan 0.000 0.515 219 K N 1.463 121.970 120.400 0.178 0.000 2.211 219 K HA 0.061 4.381 4.320 -0.000 0.000 0.201 219 K C 0.726 177.412 176.600 0.142 0.000 1.052 219 K CA 0.308 56.677 56.287 0.138 0.000 0.973 219 K CB 0.428 32.978 32.500 0.084 0.000 0.766 219 K HN 0.312 nan 8.250 nan 0.000 0.466 220 R N 1.110 121.703 120.500 0.155 0.000 2.679 220 R HA -0.055 4.285 4.340 -0.000 0.000 0.268 220 R C 1.274 177.652 176.300 0.131 0.000 1.044 220 R CA 0.058 56.236 56.100 0.130 0.000 1.105 220 R CB 0.140 30.529 30.300 0.149 0.000 0.989 220 R HN 0.097 nan 8.270 nan 0.000 0.447 221 L N 3.086 124.362 121.223 0.088 0.000 2.072 221 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 221 L C 0.508 177.420 176.870 0.070 0.000 1.079 221 L CA 1.650 56.543 54.840 0.087 0.000 0.752 221 L CB 0.026 42.113 42.059 0.046 0.000 0.906 221 L HN 0.401 nan 8.230 nan 0.000 0.436 222 L N 0.480 121.732 121.223 0.049 0.000 2.360 222 L HA 0.276 4.616 4.340 -0.000 0.000 0.271 222 L C 0.350 177.223 176.870 0.005 0.000 1.057 222 L CA -0.808 54.041 54.840 0.016 0.000 0.803 222 L CB 0.913 42.973 42.059 0.001 0.000 1.207 222 L HN 0.066 nan 8.230 nan 0.000 0.445 223 E N 1.280 121.455 120.200 -0.042 0.000 2.534 223 E HA 0.038 4.388 4.350 -0.000 0.000 0.264 223 E C 0.905 177.424 176.600 -0.136 0.000 0.981 223 E CA 0.859 57.197 56.400 -0.104 0.000 0.948 223 E CB 0.178 29.802 29.700 -0.126 0.000 0.934 223 E HN 0.898 nan 8.360 nan 0.000 0.459 224 G N 3.192 111.825 108.800 -0.278 0.000 2.148 224 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 224 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 224 G C -0.115 174.808 174.900 0.038 0.000 0.981 224 G CA 0.044 44.981 45.100 -0.271 0.000 0.670 224 G HN 0.777 nan 8.290 nan 0.000 0.528 225 D N -0.986 119.512 120.400 0.163 0.000 2.697 225 D HA -0.113 4.527 4.640 -0.000 0.000 0.238 225 D C 1.087 177.460 176.300 0.123 0.000 1.152 225 D CA 1.963 56.099 54.000 0.227 0.000 0.666 225 D CB -1.359 39.634 40.800 0.321 0.000 1.037 225 D HN 1.407 nan 8.370 nan 0.000 0.423 226 G N -1.206 107.636 108.800 0.070 0.000 2.552 226 G HA2 0.776 4.736 3.960 -0.000 0.000 0.318 226 G HA3 0.776 4.736 3.960 -0.000 0.000 0.318 226 G C 0.696 175.620 174.900 0.040 0.000 1.240 226 G CA 0.622 45.748 45.100 0.044 0.000 1.002 226 G HN 0.815 nan 8.290 nan 0.000 0.493 227 G N -0.520 108.295 108.800 0.026 0.000 2.693 227 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.226 227 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.226 227 G C -2.432 172.478 174.900 0.017 0.000 1.354 227 G CA -0.117 44.993 45.100 0.017 0.000 0.873 227 G HN 0.823 nan 8.290 nan 0.000 0.562 228 P HA 0.293 nan 4.420 nan 0.000 0.276 228 P C -0.050 177.244 177.300 -0.010 0.000 1.252 228 P CA -0.560 62.533 63.100 -0.012 0.000 0.802 228 P CB 0.597 32.274 31.700 -0.039 0.000 1.035 229 N N -0.807 117.887 118.700 -0.009 0.000 2.482 229 N HA 0.299 5.039 4.740 -0.000 0.000 0.260 229 N C 0.561 176.050 175.510 -0.036 0.000 1.236 229 N CA 0.217 53.268 53.050 0.002 0.000 0.938 229 N CB 0.503 38.997 38.487 0.012 0.000 1.128 229 N HN 0.560 nan 8.380 nan 0.000 0.448 230 T N -2.969 111.590 114.554 0.009 0.000 2.693 230 T HA 0.440 4.790 4.350 -0.000 0.000 0.278 230 T C 1.127 175.892 174.700 0.108 0.000 0.994 230 T CA -0.613 61.493 62.100 0.010 0.000 1.033 230 T CB 0.944 69.881 68.868 0.114 0.000 1.342 230 T HN 0.353 nan 8.240 nan 0.000 0.538 231 G N -0.909 108.021 108.800 0.217 0.000 2.534 231 G HA2 0.459 4.419 3.960 -0.000 0.000 0.217 231 G HA3 0.459 4.419 3.960 -0.000 0.000 0.217 231 G C 0.865 175.851 174.900 0.143 0.000 1.128 231 G CA 0.108 45.310 45.100 0.170 0.000 0.784 231 G HN 1.722 nan 8.290 nan 0.000 0.542 232 G N -0.656 108.249 108.800 0.175 0.000 2.873 232 G HA2 0.117 4.077 3.960 -0.000 0.000 0.507 232 G HA3 0.117 4.077 3.960 -0.000 0.000 0.507 232 G C 0.142 175.144 174.900 0.171 0.000 1.440 232 G CA -0.437 44.757 45.100 0.156 0.000 1.016 232 G HN -0.052 nan 8.290 nan 0.000 0.615 233 M N 0.801 120.516 119.600 0.191 0.000 2.382 233 M HA 0.337 4.817 4.480 -0.000 0.000 0.247 233 M C 1.104 177.498 176.300 0.157 0.000 1.104 233 M CA 1.052 56.457 55.300 0.175 0.000 1.030 233 M CB 0.340 33.050 32.600 0.182 0.000 1.424 233 M HN 1.608 nan 8.290 nan 0.000 0.486 234 G N -0.062 108.848 108.800 0.183 0.000 2.355 234 G HA2 0.620 4.580 3.960 -0.000 0.000 0.296 234 G HA3 0.620 4.580 3.960 -0.000 0.000 0.296 234 G C -2.162 172.875 174.900 0.229 0.000 1.507 234 G CA -0.175 45.039 45.100 0.192 0.000 0.823 234 G HN 0.323 nan 8.290 nan 0.000 0.569 235 A N -0.523 122.421 122.820 0.207 0.000 2.602 235 A HA 1.046 5.366 4.320 -0.000 0.000 0.290 235 A C -1.432 176.261 177.584 0.182 0.000 1.114 235 A CA -0.482 51.618 52.037 0.105 0.000 0.683 235 A CB 1.449 20.457 19.000 0.012 0.000 1.281 235 A HN 2.293 nan 8.150 nan 0.000 0.416 236 Y N -2.806 117.547 120.300 0.087 0.000 2.638 236 Y HA 0.787 5.337 4.550 -0.000 0.000 0.335 236 Y C -0.740 175.184 175.900 0.040 0.000 1.155 236 Y CA -1.495 56.648 58.100 0.071 0.000 1.046 236 Y CB 0.983 39.489 38.460 0.077 0.000 1.303 236 Y HN 1.366 nan 8.280 nan 0.000 0.460 237 C N 3.074 122.484 119.300 0.183 0.000 3.006 237 C HA 0.722 5.182 4.460 -0.000 0.000 0.359 237 C C -3.111 171.954 174.990 0.126 0.000 1.103 237 C CA -1.557 57.506 59.018 0.075 0.000 1.286 237 C CB 1.855 29.603 27.740 0.014 0.000 1.694 237 C HN 0.709 nan 8.230 nan 0.000 0.511 238 P HA 0.397 nan 4.420 nan 0.000 0.284 238 P C -0.686 176.655 177.300 0.069 0.000 1.253 238 P CA 0.087 63.200 63.100 0.021 0.000 0.800 238 P CB 0.949 32.651 31.700 0.003 0.000 0.961 239 A N 5.402 128.222 122.820 -0.000 0.000 2.444 239 A HA 0.277 4.597 4.320 -0.000 0.000 0.273 239 A C -1.200 176.359 177.584 -0.042 0.000 1.136 239 A CA -0.918 51.130 52.037 0.018 0.000 0.799 239 A CB -0.694 18.244 19.000 -0.104 0.000 1.081 239 A HN 0.431 nan 8.150 nan 0.000 0.509 240 P HA -0.139 nan 4.420 nan 0.000 0.233 240 P C 0.727 177.933 177.300 -0.157 0.000 1.167 240 P CA 0.782 63.869 63.100 -0.021 0.000 0.770 240 P CB 0.289 32.051 31.700 0.102 0.000 0.837 241 Q N -0.468 119.048 119.800 -0.473 0.000 2.403 241 Q HA 0.084 4.424 4.340 -0.000 0.000 0.203 241 Q C 0.310 176.164 176.000 -0.242 0.000 0.932 241 Q CA 0.350 55.735 55.803 -0.696 0.000 0.945 241 Q CB -0.570 27.396 28.738 -1.287 0.000 1.045 241 Q HN 0.096 nan 8.270 nan 0.000 0.511 242 V N 3.205 123.023 119.914 -0.159 0.000 2.311 242 V HA 0.222 4.342 4.120 -0.000 0.000 0.275 242 V C 0.427 176.494 176.094 -0.045 0.000 1.022 242 V CA -0.479 61.764 62.300 -0.094 0.000 0.830 242 V CB 1.066 32.820 31.823 -0.115 0.000 1.012 242 V HN 0.367 nan 8.190 nan 0.000 0.452 243 S N 4.021 119.714 115.700 -0.012 0.000 2.608 243 S HA 0.169 4.639 4.470 -0.000 0.000 0.261 243 S C 1.140 175.733 174.600 -0.013 0.000 1.314 243 S CA -0.355 57.848 58.200 0.004 0.000 0.992 243 S CB 0.586 63.799 63.200 0.022 0.000 0.935 243 S HN 0.600 nan 8.310 nan 0.000 0.564 244 N N 1.511 120.208 118.700 -0.004 0.000 2.094 244 N HA -0.125 4.615 4.740 -0.000 0.000 0.191 244 N C 1.142 176.647 175.510 -0.008 0.000 1.023 244 N CA 1.732 54.778 53.050 -0.007 0.000 0.857 244 N CB -0.742 37.748 38.487 0.006 0.000 1.013 244 N HN 0.663 nan 8.380 nan 0.000 0.426 245 D N 0.108 120.507 120.400 -0.001 0.000 2.117 245 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 245 D C 2.003 178.297 176.300 -0.010 0.000 0.982 245 D CA 0.399 54.398 54.000 -0.002 0.000 0.828 245 D CB -0.257 40.545 40.800 0.004 0.000 0.967 245 D HN 0.137 nan 8.370 nan 0.000 0.464 246 L N 0.610 121.824 121.223 -0.015 0.000 2.056 246 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 246 L C 2.087 178.935 176.870 -0.038 0.000 1.078 246 L CA 1.116 55.941 54.840 -0.024 0.000 0.749 246 L CB -0.700 41.343 42.059 -0.027 0.000 0.901 246 L HN -0.030 nan 8.230 nan 0.000 0.433 247 L N -0.732 120.464 121.223 -0.045 0.000 2.012 247 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 247 L C 2.349 179.193 176.870 -0.044 0.000 1.073 247 L CA 1.886 56.690 54.840 -0.060 0.000 0.748 247 L CB -0.634 41.382 42.059 -0.071 0.000 0.891 247 L HN 0.288 nan 8.230 nan 0.000 0.431 248 L N -0.714 120.493 121.223 -0.026 0.000 2.046 248 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 248 L C 2.610 179.471 176.870 -0.015 0.000 1.077 248 L CA 1.713 56.544 54.840 -0.014 0.000 0.747 248 L CB -0.609 41.448 42.059 -0.003 0.000 0.896 248 L HN 0.295 nan 8.230 nan 0.000 0.432 249 K N 0.827 121.216 120.400 -0.017 0.000 2.057 249 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 249 K C 1.980 178.567 176.600 -0.022 0.000 1.049 249 K CA 1.375 57.652 56.287 -0.016 0.000 0.931 249 K CB -0.093 32.398 32.500 -0.016 0.000 0.714 249 K HN 0.197 nan 8.250 nan 0.000 0.440 250 I N 0.946 121.496 120.570 -0.033 0.000 2.252 250 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 250 I C 2.538 178.636 176.117 -0.032 0.000 1.102 250 I CA 1.160 62.435 61.300 -0.040 0.000 1.385 250 I CB -0.343 37.618 38.000 -0.064 0.000 1.064 250 I HN 0.243 nan 8.210 nan 0.000 0.414 251 K N 1.138 121.519 120.400 -0.032 0.000 2.020 251 K HA -0.254 4.066 4.320 -0.000 0.000 0.212 251 K C 1.628 178.221 176.600 -0.012 0.000 1.050 251 K CA 2.267 58.541 56.287 -0.022 0.000 0.929 251 K CB -0.131 32.361 32.500 -0.013 0.000 0.714 251 K HN 0.246 nan 8.250 nan 0.000 0.443 252 D N -0.177 120.218 120.400 -0.008 0.000 2.097 252 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 252 D C 1.967 178.266 176.300 -0.003 0.000 0.984 252 D CA 2.081 56.078 54.000 -0.004 0.000 0.826 252 D CB -0.433 40.366 40.800 -0.003 0.000 0.973 252 D HN 0.515 nan 8.370 nan 0.000 0.460 253 T N -2.234 112.319 114.554 -0.003 0.000 3.067 253 T HA 0.129 4.479 4.350 -0.000 0.000 0.257 253 T C 1.814 176.523 174.700 0.016 0.000 1.105 253 T CA 0.285 62.386 62.100 0.002 0.000 1.104 253 T CB 0.129 68.995 68.868 -0.003 0.000 0.925 253 T HN -0.041 nan 8.240 nan 0.000 0.498 254 V N 0.331 120.256 119.914 0.019 0.000 3.001 254 V HA 0.319 4.439 4.120 -0.000 0.000 0.228 254 V C 2.471 178.600 176.094 0.060 0.000 1.204 254 V CA 0.162 62.496 62.300 0.057 0.000 1.247 254 V CB -0.399 31.447 31.823 0.039 0.000 1.093 254 V HN 0.280 nan 8.190 nan 0.000 0.504 255 L N 0.135 121.367 121.223 0.014 0.000 2.005 255 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 255 L C 2.572 179.418 176.870 -0.039 0.000 1.072 255 L CA 2.028 56.853 54.840 -0.024 0.000 0.744 255 L CB -0.545 41.489 42.059 -0.041 0.000 0.895 255 L HN 0.400 nan 8.230 nan 0.000 0.433 256 Q N 0.333 120.121 119.800 -0.020 0.000 2.123 256 Q HA -0.163 4.177 4.340 -0.000 0.000 0.199 256 Q C 2.254 178.239 176.000 -0.026 0.000 0.966 256 Q CA 1.327 57.118 55.803 -0.019 0.000 0.845 256 Q CB -0.069 28.665 28.738 -0.007 0.000 0.907 256 Q HN 0.187 nan 8.270 nan 0.000 0.439 257 R N -1.057 119.434 120.500 -0.016 0.000 2.115 257 R HA -0.075 4.265 4.340 -0.000 0.000 0.230 257 R C 1.716 177.998 176.300 -0.029 0.000 1.111 257 R CA 1.743 57.828 56.100 -0.024 0.000 0.976 257 R CB -0.131 30.168 30.300 -0.001 0.000 0.870 257 R HN 0.286 nan 8.270 nan 0.000 0.445 258 T N -0.021 114.539 114.554 0.010 0.000 2.770 258 T HA -0.063 4.287 4.350 -0.000 0.000 0.263 258 T C 1.766 176.441 174.700 -0.042 0.000 1.039 258 T CA 1.273 63.401 62.100 0.047 0.000 1.142 258 T CB -0.043 68.724 68.868 -0.168 0.000 0.868 258 T HN 0.009 nan 8.240 nan 0.000 0.435 259 V N 2.232 122.080 119.914 -0.110 0.000 2.343 259 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 259 V C 2.269 178.345 176.094 -0.029 0.000 1.051 259 V CA 1.773 64.027 62.300 -0.076 0.000 1.036 259 V CB -0.569 31.223 31.823 -0.052 0.000 0.654 259 V HN 0.425 nan 8.190 nan 0.000 0.451 260 D N 0.629 121.003 120.400 -0.043 0.000 2.144 260 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 260 D C 2.213 178.452 176.300 -0.103 0.000 0.978 260 D CA 1.501 55.469 54.000 -0.052 0.000 0.833 260 D CB -0.644 40.124 40.800 -0.052 0.000 0.961 260 D HN 0.463 nan 8.370 nan 0.000 0.470 261 G N 0.591 109.260 108.800 -0.217 0.000 2.422 261 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 261 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 261 G C 1.534 176.395 174.900 -0.065 0.000 1.146 261 G CA 0.529 45.261 45.100 -0.612 0.000 0.769 261 G HN 0.109 nan 8.290 nan 0.000 0.547 262 M N -0.010 119.677 119.600 0.144 0.000 2.156 262 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 262 M C 2.481 178.835 176.300 0.090 0.000 1.067 262 M CA 1.183 56.571 55.300 0.147 0.000 1.131 262 M CB -0.995 31.621 32.600 0.027 0.000 1.368 262 M HN 0.321 nan 8.290 nan 0.000 0.416 263 Q N 1.017 120.844 119.800 0.045 0.000 2.061 263 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 263 Q C 1.975 178.001 176.000 0.043 0.000 0.984 263 Q CA 2.123 57.946 55.803 0.033 0.000 0.846 263 Q CB -0.430 28.317 28.738 0.015 0.000 0.902 263 Q HN 0.612 nan 8.270 nan 0.000 0.421 264 Q N -0.258 119.566 119.800 0.040 0.000 2.226 264 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 264 Q C 0.796 176.853 176.000 0.095 0.000 0.975 264 Q CA 1.455 57.293 55.803 0.058 0.000 0.866 264 Q CB 0.045 28.817 28.738 0.056 0.000 0.915 264 Q HN 0.538 nan 8.270 nan 0.000 0.440 265 E N -1.028 119.253 120.200 0.133 0.000 2.465 265 E HA 0.116 4.466 4.350 -0.000 0.000 0.191 265 E C 0.424 177.094 176.600 0.115 0.000 1.053 265 E CA 0.260 56.755 56.400 0.157 0.000 0.869 265 E CB 0.467 30.322 29.700 0.258 0.000 0.977 265 E HN 0.589 nan 8.360 nan 0.000 0.483 266 G N 2.298 111.146 108.800 0.080 0.000 2.160 266 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.251 266 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.251 266 G C 0.457 175.383 174.900 0.044 0.000 1.008 266 G CA 0.743 45.874 45.100 0.052 0.000 0.724 266 G HN 0.319 nan 8.290 nan 0.000 0.514 267 T N -1.241 113.347 114.554 0.056 0.000 3.410 267 T HA 0.608 4.958 4.350 -0.000 0.000 0.328 267 T C -2.230 172.481 174.700 0.018 0.000 1.567 267 T CA -1.469 60.647 62.100 0.027 0.000 1.626 267 T CB 2.589 71.479 68.868 0.036 0.000 0.939 267 T HN 0.121 nan 8.240 nan 0.000 0.656 268 P HA 0.041 nan 4.420 nan 0.000 0.266 268 P C -1.025 176.261 177.300 -0.024 0.000 1.193 268 P CA -0.100 62.998 63.100 -0.003 0.000 0.770 268 P CB 0.353 32.036 31.700 -0.029 0.000 0.836 269 Y N 2.203 122.436 120.300 -0.111 0.000 2.328 269 Y HA 0.454 5.004 4.550 0.000 0.000 0.337 269 Y C -0.161 175.651 175.900 -0.147 0.000 0.966 269 Y CA -0.044 57.966 58.100 -0.151 0.000 1.136 269 Y CB 1.129 39.475 38.460 -0.191 0.000 1.170 269 Y HN 0.359 nan 8.280 nan 0.000 0.470 270 T N 2.386 116.603 114.554 -0.562 0.000 2.886 270 T HA 0.880 5.230 4.350 -0.000 0.000 0.292 270 T C 0.062 174.434 174.700 -0.548 0.000 1.012 270 T CA -0.091 61.799 62.100 -0.349 0.000 0.982 270 T CB 1.586 70.284 68.868 -0.282 0.000 1.018 270 T HN 1.312 nan 8.240 nan 0.000 0.451 271 G N 2.085 110.617 108.800 -0.447 0.000 2.250 271 G HA2 0.117 4.077 3.960 -0.000 0.000 0.189 271 G HA3 0.117 4.077 3.960 -0.000 0.000 0.189 271 G C -1.567 173.134 174.900 -0.332 0.000 1.298 271 G CA -0.562 44.022 45.100 -0.859 0.000 1.246 271 G HN 0.854 nan 8.290 nan 0.000 0.513 272 I N 1.420 121.841 120.570 -0.248 0.000 2.336 272 I HA 0.621 4.791 4.170 -0.000 0.000 0.292 272 I C -0.248 175.881 176.117 0.021 0.000 0.991 272 I CA -0.557 60.658 61.300 -0.143 0.000 1.227 272 I CB 0.954 38.773 38.000 -0.302 0.000 1.366 272 I HN 0.567 nan 8.210 nan 0.000 0.466 273 L N 8.317 129.522 121.223 -0.030 0.000 2.307 273 L HA 0.457 4.797 4.340 -0.000 0.000 0.284 273 L C -1.243 175.590 176.870 -0.061 0.000 1.023 273 L CA -0.425 54.346 54.840 -0.115 0.000 0.810 273 L CB 1.437 43.262 42.059 -0.390 0.000 1.231 273 L HN 0.440 nan 8.230 nan 0.000 0.423 274 Y N 4.705 124.945 120.300 -0.100 0.000 2.341 274 Y HA 0.765 5.315 4.550 0.000 0.000 0.338 274 Y C -0.763 175.167 175.900 0.050 0.000 0.965 274 Y CA -0.869 57.193 58.100 -0.062 0.000 1.108 274 Y CB 1.603 40.031 38.460 -0.054 0.000 1.180 274 Y HN 0.768 nan 8.280 nan 0.000 0.458 275 A N 4.480 127.203 122.820 -0.162 0.000 2.304 275 A HA 0.667 4.987 4.320 -0.000 0.000 0.314 275 A C -0.078 177.347 177.584 -0.264 0.000 1.187 275 A CA -0.317 51.687 52.037 -0.055 0.000 0.810 275 A CB 0.256 19.239 19.000 -0.028 0.000 1.183 275 A HN 1.114 nan 8.150 nan 0.000 0.487 276 G N 1.634 110.415 108.800 -0.031 0.000 2.349 276 G HA2 0.523 4.483 3.960 -0.000 0.000 0.281 276 G HA3 0.523 4.483 3.960 -0.000 0.000 0.281 276 G C -0.544 174.281 174.900 -0.125 0.000 1.182 276 G CA -0.116 44.970 45.100 -0.024 0.000 0.899 276 G HN 0.645 nan 8.290 nan 0.000 0.455 277 I N 1.884 122.372 120.570 -0.136 0.000 2.509 277 I HA 0.347 4.517 4.170 -0.000 0.000 0.293 277 I C -0.207 175.847 176.117 -0.105 0.000 1.020 277 I CA -0.883 60.339 61.300 -0.131 0.000 1.088 277 I CB 2.456 40.373 38.000 -0.140 0.000 1.267 277 I HN 0.401 nan 8.210 nan 0.000 0.430 278 M N 7.284 126.831 119.600 -0.089 0.000 2.180 278 M HA 0.446 4.926 4.480 -0.000 0.000 0.350 278 M C -1.314 174.947 176.300 -0.065 0.000 1.125 278 M CA -0.107 55.151 55.300 -0.070 0.000 1.031 278 M CB 0.891 33.459 32.600 -0.053 0.000 1.623 278 M HN 0.367 nan 8.290 nan 0.000 0.451 279 L N 5.870 127.054 121.223 -0.064 0.000 2.375 279 L HA 0.303 4.643 4.340 -0.000 0.000 0.276 279 L C 0.459 177.310 176.870 -0.031 0.000 1.162 279 L CA -0.608 54.200 54.840 -0.053 0.000 0.991 279 L CB -0.738 41.282 42.059 -0.066 0.000 1.315 279 L HN 0.816 nan 8.230 nan 0.000 0.431 280 T N -2.061 112.478 114.554 -0.025 0.000 2.847 280 T HA 0.310 4.660 4.350 -0.000 0.000 0.279 280 T C 1.382 176.079 174.700 -0.005 0.000 0.984 280 T CA -0.044 62.048 62.100 -0.013 0.000 0.988 280 T CB 1.464 70.324 68.868 -0.013 0.000 1.040 280 T HN 0.467 nan 8.240 nan 0.000 0.528 281 K N 0.618 121.019 120.400 0.002 0.000 2.360 281 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 281 K C 1.432 178.032 176.600 0.001 0.000 1.046 281 K CA 1.452 57.742 56.287 0.005 0.000 0.940 281 K CB -0.946 31.559 32.500 0.009 0.000 0.748 281 K HN 0.756 nan 8.250 nan 0.000 0.465 282 N N -0.124 118.573 118.700 -0.005 0.000 2.275 282 N HA 0.272 5.012 4.740 -0.000 0.000 0.236 282 N C 0.340 175.842 175.510 -0.012 0.000 1.154 282 N CA 0.740 53.785 53.050 -0.008 0.000 0.866 282 N CB 0.896 39.377 38.487 -0.010 0.000 1.093 282 N HN 0.614 nan 8.380 nan 0.000 0.515 283 G N 1.923 110.715 108.800 -0.013 0.000 2.541 283 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 283 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 283 G C -3.203 171.680 174.900 -0.028 0.000 1.286 283 G CA -1.115 43.974 45.100 -0.019 0.000 0.894 283 G HN -0.060 nan 8.290 nan 0.000 0.575 284 P HA 0.320 nan 4.420 nan 0.000 0.268 284 P C -0.636 176.633 177.300 -0.051 0.000 1.204 284 P CA 0.482 63.552 63.100 -0.050 0.000 0.768 284 P CB 0.774 32.442 31.700 -0.053 0.000 0.842 285 K N 1.710 122.072 120.400 -0.064 0.000 2.443 285 K HA 0.379 4.699 4.320 -0.000 0.000 0.252 285 K C -0.817 175.718 176.600 -0.109 0.000 0.933 285 K CA -1.069 55.176 56.287 -0.071 0.000 0.792 285 K CB 2.258 34.726 32.500 -0.054 0.000 1.185 285 K HN 0.127 nan 8.250 nan 0.000 0.425 286 V N 5.321 125.147 119.914 -0.147 0.000 2.479 286 V HA 0.011 4.131 4.120 -0.000 0.000 0.281 286 V C 1.358 177.303 176.094 -0.248 0.000 1.031 286 V CA 0.208 62.355 62.300 -0.256 0.000 1.038 286 V CB 0.425 32.001 31.823 -0.411 0.000 0.981 286 V HN 0.777 nan 8.190 nan 0.000 0.478 287 L N 3.851 124.942 121.223 -0.220 0.000 2.168 287 L HA 0.201 4.541 4.340 -0.000 0.000 0.203 287 L C 0.893 177.642 176.870 -0.201 0.000 1.078 287 L CA 0.865 55.609 54.840 -0.160 0.000 0.780 287 L CB 0.139 42.142 42.059 -0.093 0.000 0.939 287 L HN 0.914 nan 8.230 nan 0.000 0.451 288 E N -2.110 117.925 120.200 -0.275 0.000 2.409 288 E HA 0.373 4.723 4.350 -0.000 0.000 0.280 288 E C -1.519 174.874 176.600 -0.345 0.000 1.079 288 E CA -0.800 55.443 56.400 -0.261 0.000 0.840 288 E CB 0.983 30.629 29.700 -0.091 0.000 1.309 288 E HN -0.251 nan 8.360 nan 0.000 0.447 289 F N 0.320 120.274 119.950 0.005 0.000 2.541 289 F HA 0.603 5.130 4.527 -0.000 0.000 0.331 289 F C 0.319 176.117 175.800 -0.003 0.000 1.057 289 F CA -0.584 57.431 58.000 0.025 0.000 0.975 289 F CB 2.061 41.027 39.000 -0.057 0.000 1.246 289 F HN 0.577 nan 8.300 nan 0.000 0.484 290 N N -1.299 117.544 118.700 0.239 0.000 2.774 290 N HA 0.487 5.227 4.740 -0.000 0.000 0.264 290 N C -1.431 174.126 175.510 0.079 0.000 1.415 290 N CA -0.637 52.421 53.050 0.013 0.000 0.815 290 N CB 1.811 40.089 38.487 -0.349 0.000 1.514 290 N HN 0.571 nan 8.380 nan 0.000 0.523 291 C N 1.220 120.542 119.300 0.035 0.000 2.742 291 C HA 0.436 4.896 4.460 -0.000 0.000 0.283 291 C C -0.311 174.693 174.990 0.023 0.000 1.451 291 C CA -0.329 58.742 59.018 0.088 0.000 1.785 291 C CB -1.663 26.121 27.740 0.073 0.000 2.664 291 C HN 0.565 nan 8.230 nan 0.000 0.544 292 R N -1.317 119.184 120.500 0.001 0.000 2.741 292 R HA 0.292 4.632 4.340 -0.000 0.000 0.276 292 R C -1.467 174.846 176.300 0.021 0.000 1.028 292 R CA -0.549 55.555 56.100 0.007 0.000 0.865 292 R CB 0.006 30.336 30.300 0.050 0.000 1.268 292 R HN -0.005 nan 8.270 nan 0.000 0.475 293 F N 0.623 120.631 119.950 0.097 0.000 2.553 293 F HA 0.400 4.927 4.527 0.000 0.000 0.356 293 F C 1.683 177.518 175.800 0.059 0.000 1.142 293 F CA 1.985 60.047 58.000 0.102 0.000 1.322 293 F CB 0.594 39.649 39.000 0.091 0.000 1.126 293 F HN 0.683 nan 8.300 nan 0.000 0.599 294 G N 0.717 109.706 108.800 0.315 0.000 2.528 294 G HA2 0.366 4.326 3.960 -0.000 0.000 0.289 294 G HA3 0.366 4.326 3.960 -0.000 0.000 0.289 294 G C -1.610 173.374 174.900 0.139 0.000 1.192 294 G CA -0.382 44.808 45.100 0.150 0.000 0.921 294 G HN 0.530 nan 8.290 nan 0.000 0.512 295 D N -0.298 120.152 120.400 0.083 0.000 2.696 295 D HA 0.382 5.022 4.640 -0.000 0.000 0.251 295 D C -1.985 174.355 176.300 0.066 0.000 1.188 295 D CA -1.739 52.299 54.000 0.063 0.000 0.876 295 D CB 2.593 43.427 40.800 0.057 0.000 1.334 295 D HN 0.100 nan 8.370 nan 0.000 0.540 296 P HA 0.246 nan 4.420 nan 0.000 0.259 296 P C 0.479 177.801 177.300 0.036 0.000 1.530 296 P CA -0.006 63.122 63.100 0.047 0.000 1.022 296 P CB 0.556 32.295 31.700 0.064 0.000 1.514 297 E N -0.443 119.793 120.200 0.060 0.000 2.160 297 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 297 E C 1.792 178.419 176.600 0.046 0.000 0.991 297 E CA 0.955 57.393 56.400 0.064 0.000 0.810 297 E CB -0.561 29.208 29.700 0.115 0.000 0.742 297 E HN 0.277 nan 8.360 nan 0.000 0.466 298 C N 1.208 120.510 119.300 0.003 0.000 2.398 298 C HA -0.198 4.262 4.460 -0.000 0.000 0.276 298 C C 2.507 177.330 174.990 -0.279 0.000 1.222 298 C CA 1.335 60.206 59.018 -0.244 0.000 1.746 298 C CB -0.710 26.813 27.740 -0.363 0.000 2.039 298 C HN 0.393 nan 8.230 nan 0.000 0.470 299 Q N 0.196 119.841 119.800 -0.258 0.000 2.368 299 Q HA -0.108 4.232 4.340 -0.000 0.000 0.210 299 Q C 1.840 177.790 176.000 -0.084 0.000 0.982 299 Q CA 1.990 57.601 55.803 -0.321 0.000 0.884 299 Q CB -0.113 28.537 28.738 -0.146 0.000 0.933 299 Q HN 0.855 nan 8.270 nan 0.000 0.460 300 V N -5.049 114.858 119.914 -0.012 0.000 3.604 300 V HA 0.210 4.330 4.120 -0.000 0.000 0.277 300 V C 1.434 177.590 176.094 0.103 0.000 1.399 300 V CA 0.122 62.462 62.300 0.068 0.000 1.034 300 V CB -0.071 31.803 31.823 0.084 0.000 0.824 300 V HN 0.187 nan 8.190 nan 0.000 0.439 301 I N 0.196 120.824 120.570 0.096 0.000 2.270 301 I HA -0.009 4.161 4.170 -0.000 0.000 0.239 301 I C 2.508 178.822 176.117 0.329 0.000 1.080 301 I CA 1.339 62.761 61.300 0.204 0.000 1.383 301 I CB -0.172 37.983 38.000 0.259 0.000 1.097 301 I HN 0.201 nan 8.210 nan 0.000 0.420 302 L N 0.994 122.331 121.223 0.190 0.000 2.043 302 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 302 L C -0.376 176.683 176.870 0.315 0.000 1.075 302 L CA 1.723 56.696 54.840 0.222 0.000 0.752 302 L CB -2.094 39.992 42.059 0.045 0.000 0.891 302 L HN 0.190 nan 8.230 nan 0.000 0.432 303 P HA -0.153 nan 4.420 nan 0.000 0.223 303 P C 1.447 178.928 177.300 0.302 0.000 1.144 303 P CA 1.300 64.650 63.100 0.416 0.000 0.783 303 P CB 0.038 31.924 31.700 0.310 0.000 0.771 304 L N -2.395 119.026 121.223 0.329 0.000 2.607 304 L HA 0.129 4.469 4.340 -0.000 0.000 0.228 304 L C 0.751 177.861 176.870 0.399 0.000 1.123 304 L CA -0.485 54.573 54.840 0.364 0.000 0.890 304 L CB -0.150 42.162 42.059 0.421 0.000 1.103 304 L HN -0.026 nan 8.230 nan 0.000 0.468 305 L N 0.799 122.165 121.223 0.238 0.000 2.369 305 L HA 0.056 4.396 4.340 -0.000 0.000 0.279 305 L C 1.267 178.053 176.870 -0.139 0.000 1.108 305 L CA 0.595 55.332 54.840 -0.172 0.000 0.852 305 L CB 0.603 42.517 42.059 -0.241 0.000 1.169 305 L HN 0.005 nan 8.230 nan 0.000 0.452 306 K N 1.933 122.226 120.400 -0.179 0.000 2.167 306 K HA 0.059 4.379 4.320 -0.000 0.000 0.203 306 K C 0.686 177.190 176.600 -0.159 0.000 1.052 306 K CA 0.464 56.682 56.287 -0.115 0.000 0.956 306 K CB 0.245 32.705 32.500 -0.068 0.000 0.735 306 K HN 0.764 nan 8.250 nan 0.000 0.451 307 S N 1.556 117.112 115.700 -0.240 0.000 2.584 307 S HA -0.051 4.419 4.470 -0.000 0.000 0.270 307 S C -0.252 174.238 174.600 -0.185 0.000 1.346 307 S CA -0.508 57.564 58.200 -0.213 0.000 1.018 307 S CB 0.804 63.832 63.200 -0.286 0.000 0.899 307 S HN 0.230 nan 8.310 nan 0.000 0.542 308 D N 1.092 121.412 120.400 -0.134 0.000 2.346 308 D HA 0.019 4.659 4.640 -0.000 0.000 0.260 308 D C 0.819 177.047 176.300 -0.120 0.000 1.252 308 D CA -0.398 53.545 54.000 -0.095 0.000 0.895 308 D CB 0.492 41.292 40.800 0.001 0.000 1.097 308 D HN 0.323 nan 8.370 nan 0.000 0.489 309 L N 6.183 127.334 121.223 -0.121 0.000 2.187 309 L HA -0.171 4.169 4.340 -0.000 0.000 0.213 309 L C 1.692 178.499 176.870 -0.105 0.000 1.100 309 L CA 1.639 56.396 54.840 -0.139 0.000 0.765 309 L CB -1.062 40.960 42.059 -0.061 0.000 0.904 309 L HN 0.638 nan 8.230 nan 0.000 0.437 310 Y N 0.099 120.332 120.300 -0.113 0.000 2.242 310 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 310 Y C 2.296 178.113 175.900 -0.138 0.000 1.137 310 Y CA 1.980 60.060 58.100 -0.034 0.000 1.181 310 Y CB 0.012 38.486 38.460 0.024 0.000 0.989 310 Y HN 0.359 nan 8.280 nan 0.000 0.527 311 E N -0.641 119.481 120.200 -0.129 0.000 2.107 311 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 311 E C 2.213 178.609 176.600 -0.340 0.000 0.982 311 E CA 1.167 57.412 56.400 -0.258 0.000 0.809 311 E CB -0.053 29.561 29.700 -0.142 0.000 0.756 311 E HN 0.341 nan 8.360 nan 0.000 0.459 312 V N 1.476 121.171 119.914 -0.365 0.000 2.295 312 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 312 V C 2.207 177.995 176.094 -0.511 0.000 1.049 312 V CA 1.495 63.514 62.300 -0.468 0.000 1.024 312 V CB -0.315 31.103 31.823 -0.676 0.000 0.648 312 V HN 0.268 nan 8.190 nan 0.000 0.447 313 I N -0.413 119.793 120.570 -0.608 0.000 2.202 313 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 313 I C 2.665 178.337 176.117 -0.741 0.000 1.091 313 I CA 1.714 62.539 61.300 -0.791 0.000 1.368 313 I CB -0.413 36.977 38.000 -1.016 0.000 1.058 313 I HN 0.381 nan 8.210 nan 0.000 0.410 314 Q N 0.908 120.232 119.800 -0.793 0.000 2.096 314 Q HA -0.252 4.088 4.340 -0.000 0.000 0.204 314 Q C 2.316 178.090 176.000 -0.376 0.000 0.982 314 Q CA 2.537 57.953 55.803 -0.645 0.000 0.850 314 Q CB -0.041 28.303 28.738 -0.658 0.000 0.901 314 Q HN 0.560 nan 8.270 nan 0.000 0.422 315 S N -1.197 114.309 115.700 -0.323 0.000 2.406 315 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 315 S C 1.874 176.385 174.600 -0.148 0.000 1.020 315 S CA 1.343 59.423 58.200 -0.201 0.000 0.965 315 S CB -0.407 62.687 63.200 -0.175 0.000 0.798 315 S HN 0.378 nan 8.310 nan 0.000 0.488 316 T N 3.040 117.503 114.554 -0.152 0.000 2.777 316 T HA 0.161 4.511 4.350 -0.000 0.000 0.266 316 T C 1.682 176.359 174.700 -0.038 0.000 1.040 316 T CA 1.375 63.453 62.100 -0.037 0.000 1.141 316 T CB -0.529 68.407 68.868 0.112 0.000 0.868 316 T HN 0.330 nan 8.240 nan 0.000 0.444 317 L N 1.030 122.196 121.223 -0.095 0.000 2.187 317 L HA -0.119 4.221 4.340 -0.000 0.000 0.213 317 L C 1.725 178.547 176.870 -0.080 0.000 1.100 317 L CA 1.022 55.805 54.840 -0.094 0.000 0.765 317 L CB -0.452 41.499 42.059 -0.181 0.000 0.904 317 L HN 0.174 nan 8.230 nan 0.000 0.437 318 D N -0.314 120.033 120.400 -0.089 0.000 2.339 318 D HA 0.113 4.753 4.640 -0.000 0.000 0.217 318 D C 1.502 177.774 176.300 -0.047 0.000 1.050 318 D CA 0.866 54.829 54.000 -0.062 0.000 0.856 318 D CB 0.513 41.274 40.800 -0.066 0.000 0.922 318 D HN 0.306 nan 8.370 nan 0.000 0.518 319 G N 1.037 109.810 108.800 -0.045 0.000 2.147 319 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 319 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 319 G C 0.404 175.287 174.900 -0.028 0.000 1.005 319 G CA -0.031 45.050 45.100 -0.031 0.000 0.713 319 G HN 0.409 nan 8.290 nan 0.000 0.515 320 L N -0.264 120.936 121.223 -0.039 0.000 3.193 320 L HA 0.334 4.674 4.340 -0.000 0.000 0.305 320 L C 1.829 178.670 176.870 -0.048 0.000 1.299 320 L CA -0.569 54.248 54.840 -0.039 0.000 0.904 320 L CB 0.578 42.610 42.059 -0.045 0.000 1.331 320 L HN 0.178 nan 8.230 nan 0.000 0.588 321 L N 0.817 122.018 121.223 -0.036 0.000 2.127 321 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 321 L C 2.583 179.435 176.870 -0.029 0.000 1.089 321 L CA 2.251 57.068 54.840 -0.039 0.000 0.757 321 L CB -0.425 41.638 42.059 0.006 0.000 0.899 321 L HN 0.652 nan 8.230 nan 0.000 0.434 322 C N -2.301 116.991 119.300 -0.013 0.000 2.432 322 C HA -0.021 4.439 4.460 -0.000 0.000 0.282 322 C C 2.526 177.506 174.990 -0.016 0.000 1.388 322 C CA 0.610 59.625 59.018 -0.004 0.000 1.777 322 C CB -2.437 25.305 27.740 0.003 0.000 1.882 322 C HN 0.712 nan 8.230 nan 0.000 0.520 323 T N -2.705 111.831 114.554 -0.030 0.000 3.129 323 T HA 0.118 4.468 4.350 -0.000 0.000 0.251 323 T C 0.890 175.560 174.700 -0.050 0.000 1.117 323 T CA 1.029 63.108 62.100 -0.034 0.000 1.034 323 T CB -0.270 68.576 68.868 -0.036 0.000 0.968 323 T HN 0.559 nan 8.240 nan 0.000 0.526 324 S N 0.759 116.418 115.700 -0.068 0.000 2.407 324 S HA 0.453 4.923 4.470 -0.000 0.000 0.166 324 S C -0.325 174.208 174.600 -0.112 0.000 1.445 324 S CA -0.810 57.332 58.200 -0.097 0.000 1.260 324 S CB -0.699 62.420 63.200 -0.135 0.000 1.401 324 S HN 0.430 nan 8.310 nan 0.000 0.379 325 L N 3.494 124.678 121.223 -0.065 0.000 2.426 325 L HA 0.415 4.755 4.340 -0.000 0.000 0.271 325 L C -1.719 175.100 176.870 -0.085 0.000 1.169 325 L CA -1.602 53.216 54.840 -0.038 0.000 0.836 325 L CB 0.311 42.383 42.059 0.022 0.000 1.112 325 L HN 0.365 nan 8.230 nan 0.000 0.465 326 P HA 0.149 nan 4.420 nan 0.000 0.275 326 P C -0.933 176.178 177.300 -0.316 0.000 1.227 326 P CA -0.217 62.708 63.100 -0.291 0.000 0.781 326 P CB 1.263 32.793 31.700 -0.284 0.000 0.906 327 V N 3.365 123.013 119.914 -0.444 0.000 2.513 327 V HA 0.385 4.505 4.120 -0.000 0.000 0.299 327 V C -0.391 175.442 176.094 -0.435 0.000 1.035 327 V CA -0.361 61.785 62.300 -0.256 0.000 0.889 327 V CB 1.215 32.969 31.823 -0.114 0.000 0.988 327 V HN 0.573 nan 8.190 nan 0.000 0.440 328 W N 2.994 124.345 121.300 0.085 0.000 2.706 328 W HA 0.668 5.328 4.660 -0.000 0.000 0.346 328 W C -0.318 176.268 176.519 0.110 0.000 1.071 328 W CA -0.873 56.533 57.345 0.102 0.000 1.206 328 W CB 1.179 30.704 29.460 0.107 0.000 1.413 328 W HN 0.332 nan 8.180 nan 0.000 0.542 329 L N 2.917 124.363 121.223 0.370 0.000 2.565 329 L HA 0.032 4.372 4.340 -0.000 0.000 0.275 329 L C 0.654 177.735 176.870 0.352 0.000 1.137 329 L CA 0.000 55.041 54.840 0.335 0.000 0.915 329 L CB -0.256 41.991 42.059 0.314 0.000 1.232 329 L HN 0.368 nan 8.230 nan 0.000 0.473 330 E N 4.153 124.511 120.200 0.264 0.000 2.465 330 E HA -0.124 4.226 4.350 -0.000 0.000 0.260 330 E C 0.709 177.354 176.600 0.074 0.000 0.980 330 E CA 0.470 56.968 56.400 0.162 0.000 0.927 330 E CB 0.204 29.972 29.700 0.113 0.000 0.934 330 E HN 0.500 nan 8.360 nan 0.000 0.459 331 N N 2.210 120.926 118.700 0.025 0.000 2.829 331 N HA -0.213 4.527 4.740 -0.000 0.000 0.250 331 N C -1.628 173.730 175.510 -0.254 0.000 1.090 331 N CA 1.198 54.188 53.050 -0.100 0.000 0.781 331 N CB -1.642 36.756 38.487 -0.148 0.000 1.124 331 N HN 0.632 nan 8.380 nan 0.000 0.559 332 H N -1.507 117.620 119.070 0.095 0.000 2.710 332 H HA 0.697 5.253 4.556 0.000 0.000 0.361 332 H C -0.249 175.141 175.328 0.102 0.000 1.175 332 H CA -0.175 55.931 56.048 0.097 0.000 1.206 332 H CB 1.652 31.480 29.762 0.110 0.000 1.750 332 H HN -0.019 nan 8.280 nan 0.000 0.553 333 T N 1.075 115.772 114.554 0.239 0.000 2.848 333 T HA 0.674 5.024 4.350 -0.000 0.000 0.285 333 T C -0.710 174.097 174.700 0.179 0.000 0.995 333 T CA -0.763 61.446 62.100 0.182 0.000 0.970 333 T CB 1.259 70.211 68.868 0.140 0.000 0.976 333 T HN 0.718 nan 8.240 nan 0.000 0.441 334 A N 3.190 126.115 122.820 0.176 0.000 2.337 334 A HA 0.919 5.239 4.320 -0.000 0.000 0.329 334 A C -0.970 176.720 177.584 0.177 0.000 1.146 334 A CA -0.729 51.404 52.037 0.160 0.000 0.800 334 A CB 0.839 19.934 19.000 0.158 0.000 1.220 334 A HN 0.858 nan 8.150 nan 0.000 0.472 335 L N 1.348 122.666 121.223 0.157 0.000 2.431 335 L HA 0.804 5.144 4.340 -0.000 0.000 0.266 335 L C -0.615 176.337 176.870 0.136 0.000 0.978 335 L CA -0.072 54.878 54.840 0.184 0.000 0.822 335 L CB 2.459 44.617 42.059 0.164 0.000 1.310 335 L HN 0.730 nan 8.230 nan 0.000 0.409 336 T N 3.145 117.786 114.554 0.145 0.000 2.893 336 T HA 0.732 5.082 4.350 -0.000 0.000 0.293 336 T C -1.550 173.213 174.700 0.105 0.000 1.027 336 T CA -0.350 61.816 62.100 0.109 0.000 0.988 336 T CB 1.573 70.511 68.868 0.116 0.000 1.043 336 T HN 0.351 nan 8.240 nan 0.000 0.461 337 V N 4.596 124.548 119.914 0.063 0.000 2.531 337 V HA 0.523 4.643 4.120 -0.000 0.000 0.301 337 V C -0.040 176.079 176.094 0.042 0.000 1.034 337 V CA -0.855 61.480 62.300 0.058 0.000 0.865 337 V CB 1.863 33.699 31.823 0.022 0.000 0.995 337 V HN 0.765 nan 8.190 nan 0.000 0.424 338 V N 5.871 125.829 119.914 0.073 0.000 2.607 338 V HA 0.407 4.527 4.120 -0.000 0.000 0.289 338 V C 0.225 176.366 176.094 0.077 0.000 1.053 338 V CA -0.214 62.122 62.300 0.061 0.000 0.996 338 V CB 1.493 33.353 31.823 0.063 0.000 0.995 338 V HN 0.810 nan 8.190 nan 0.000 0.476 339 M N 4.485 124.129 119.600 0.072 0.000 2.205 339 M HA 0.693 5.173 4.480 -0.000 0.000 0.344 339 M C -0.093 176.319 176.300 0.187 0.000 1.085 339 M CA -0.141 55.258 55.300 0.164 0.000 1.001 339 M CB 1.697 34.418 32.600 0.203 0.000 1.626 339 M HN 0.738 nan 8.290 nan 0.000 0.442 340 A N 2.054 124.980 122.820 0.177 0.000 2.387 340 A HA 0.874 5.194 4.320 -0.000 0.000 0.298 340 A C -0.554 177.162 177.584 0.220 0.000 1.165 340 A CA -0.721 51.342 52.037 0.043 0.000 0.814 340 A CB 1.268 20.177 19.000 -0.153 0.000 1.357 340 A HN 0.696 nan 8.150 nan 0.000 0.443 341 S N 0.637 116.400 115.700 0.105 0.000 2.554 341 S HA 0.560 5.030 4.470 -0.000 0.000 0.278 341 S C 0.536 175.266 174.600 0.218 0.000 1.242 341 S CA -0.059 58.281 58.200 0.233 0.000 1.051 341 S CB 1.043 64.311 63.200 0.114 0.000 0.986 341 S HN 1.102 nan 8.310 nan 0.000 0.502 342 K N 0.844 121.364 120.400 0.201 0.000 2.473 342 K HA 0.395 4.715 4.320 -0.000 0.000 0.277 342 K C 1.406 178.123 176.600 0.195 0.000 1.052 342 K CA 0.444 56.822 56.287 0.153 0.000 1.114 342 K CB -1.438 31.128 32.500 0.109 0.000 0.869 342 K HN 1.477 nan 8.250 nan 0.000 0.481 343 G N 0.699 109.606 108.800 0.179 0.000 2.307 343 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.210 343 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.210 343 G C 0.351 175.389 174.900 0.230 0.000 1.005 343 G CA 0.121 45.331 45.100 0.183 0.000 0.634 343 G HN 1.435 nan 8.290 nan 0.000 0.496 344 Y N 4.175 124.560 120.300 0.142 0.000 2.903 344 Y HA 0.328 4.878 4.550 0.000 0.000 0.338 344 Y C -0.762 175.185 175.900 0.077 0.000 1.265 344 Y CA 0.119 58.281 58.100 0.104 0.000 1.532 344 Y CB 0.933 39.407 38.460 0.022 0.000 1.293 344 Y HN 0.114 nan 8.280 nan 0.000 0.609 345 P HA 0.147 nan 4.420 nan 0.000 0.257 345 P C 0.336 177.542 177.300 -0.155 0.000 1.325 345 P CA 0.525 63.156 63.100 -0.783 0.000 0.850 345 P CB 0.105 31.319 31.700 -0.810 0.000 1.324 346 G N 0.185 108.980 108.800 -0.008 0.000 2.531 346 G HA2 0.139 4.099 3.960 -0.000 0.000 0.253 346 G HA3 0.139 4.099 3.960 -0.000 0.000 0.253 346 G C -0.696 174.293 174.900 0.149 0.000 1.439 346 G CA -0.388 44.746 45.100 0.056 0.000 1.056 346 G HN -0.048 nan 8.290 nan 0.000 0.555 347 D N 0.479 120.917 120.400 0.062 0.000 2.531 347 D HA 0.300 4.940 4.640 -0.000 0.000 0.239 347 D C -0.264 176.082 176.300 0.077 0.000 1.144 347 D CA 0.864 54.856 54.000 -0.013 0.000 0.869 347 D CB 0.277 41.052 40.800 -0.041 0.000 1.160 347 D HN 0.340 nan 8.370 nan 0.000 0.484 348 Y N -1.724 118.616 120.300 0.068 0.000 2.630 348 Y HA 0.602 5.152 4.550 -0.000 0.000 0.337 348 Y C 0.355 176.289 175.900 0.057 0.000 1.051 348 Y CA -1.428 56.722 58.100 0.082 0.000 1.121 348 Y CB 0.277 38.810 38.460 0.122 0.000 1.299 348 Y HN 0.160 nan 8.280 nan 0.000 0.498 349 T N 0.016 114.741 114.554 0.285 0.000 2.907 349 T HA 0.382 4.732 4.350 -0.000 0.000 0.298 349 T C -0.618 174.222 174.700 0.234 0.000 1.017 349 T CA -0.859 61.352 62.100 0.186 0.000 1.118 349 T CB 1.168 70.133 68.868 0.161 0.000 0.948 349 T HN 0.703 nan 8.240 nan 0.000 0.531 350 K N 0.507 120.989 120.400 0.136 0.000 2.371 350 K HA 0.532 4.852 4.320 -0.000 0.000 0.251 350 K C 0.782 177.439 176.600 0.095 0.000 0.934 350 K CA -0.349 56.013 56.287 0.125 0.000 0.798 350 K CB 1.441 33.980 32.500 0.066 0.000 1.204 350 K HN 1.016 nan 8.250 nan 0.000 0.427 351 G N 0.997 109.854 108.800 0.095 0.000 2.136 351 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.242 351 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.242 351 G C -0.162 174.778 174.900 0.066 0.000 0.989 351 G CA 0.119 45.267 45.100 0.081 0.000 0.682 351 G HN 0.380 nan 8.290 nan 0.000 0.522 352 V N 0.423 120.377 119.914 0.066 0.000 2.649 352 V HA 0.411 4.531 4.120 -0.000 0.000 0.292 352 V C 0.937 177.067 176.094 0.060 0.000 1.055 352 V CA -0.488 61.861 62.300 0.082 0.000 1.023 352 V CB 1.788 33.697 31.823 0.144 0.000 0.992 352 V HN 0.429 nan 8.190 nan 0.000 0.480 353 E N 3.385 123.634 120.200 0.082 0.000 2.316 353 E HA 0.370 4.720 4.350 -0.000 0.000 0.275 353 E C -1.046 175.617 176.600 0.106 0.000 1.029 353 E CA -0.327 56.121 56.400 0.081 0.000 0.871 353 E CB 0.690 30.436 29.700 0.077 0.000 1.022 353 E HN 0.556 nan 8.360 nan 0.000 0.418 354 I N 3.820 124.448 120.570 0.097 0.000 2.404 354 I HA 0.298 4.468 4.170 -0.000 0.000 0.293 354 I C 0.183 176.339 176.117 0.066 0.000 0.992 354 I CA -0.553 60.797 61.300 0.083 0.000 1.149 354 I CB 1.803 39.823 38.000 0.034 0.000 1.315 354 I HN 0.511 nan 8.210 nan 0.000 0.446 355 T N 0.359 114.872 114.554 -0.067 0.000 2.864 355 T HA 0.756 5.106 4.350 -0.000 0.000 0.289 355 T C 0.580 175.104 174.700 -0.294 0.000 1.082 355 T CA -0.176 61.864 62.100 -0.099 0.000 1.009 355 T CB 1.841 70.708 68.868 -0.001 0.000 1.234 355 T HN 1.000 nan 8.240 nan 0.000 0.526 356 G N -0.472 108.214 108.800 -0.190 0.000 2.195 356 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.224 356 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.224 356 G C 0.589 175.373 174.900 -0.194 0.000 0.990 356 G CA 0.191 45.173 45.100 -0.195 0.000 0.639 356 G HN 0.647 nan 8.290 nan 0.000 0.514 357 F N 1.748 121.702 119.950 0.007 0.000 2.091 357 F HA 0.005 4.532 4.527 0.000 0.000 0.299 357 F C 0.818 176.618 175.800 -0.000 0.000 1.103 357 F CA 2.160 60.164 58.000 0.007 0.000 1.228 357 F CB -1.777 37.249 39.000 0.044 0.000 0.984 357 F HN 0.236 nan 8.300 nan 0.000 0.477 358 P HA -0.209 nan 4.420 nan 0.000 0.215 358 P C 1.361 178.690 177.300 0.048 0.000 1.157 358 P CA 2.046 65.205 63.100 0.097 0.000 0.874 358 P CB -0.245 31.501 31.700 0.076 0.000 0.790 359 E N -0.337 119.874 120.200 0.019 0.000 2.216 359 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 359 E C 1.921 178.510 176.600 -0.018 0.000 0.988 359 E CA 1.189 57.586 56.400 -0.005 0.000 0.834 359 E CB -1.030 28.660 29.700 -0.018 0.000 0.772 359 E HN 0.158 nan 8.360 nan 0.000 0.479 360 A N 1.779 124.582 122.820 -0.028 0.000 1.898 360 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 360 A C 2.293 179.860 177.584 -0.028 0.000 1.181 360 A CA 1.688 53.698 52.037 -0.045 0.000 0.620 360 A CB -0.608 18.351 19.000 -0.069 0.000 0.819 360 A HN 0.304 nan 8.150 nan 0.000 0.442 361 Q N -0.328 119.474 119.800 0.002 0.000 2.124 361 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 361 Q C 2.028 178.030 176.000 0.002 0.000 0.977 361 Q CA 1.776 57.579 55.803 0.001 0.000 0.850 361 Q CB -0.414 28.340 28.738 0.028 0.000 0.901 361 Q HN 0.576 nan 8.270 nan 0.000 0.429 362 A N 0.484 123.308 122.820 0.007 0.000 1.940 362 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 362 A C 1.928 179.512 177.584 -0.000 0.000 1.176 362 A CA 1.262 53.303 52.037 0.006 0.000 0.631 362 A CB -0.647 18.357 19.000 0.007 0.000 0.814 362 A HN 0.484 nan 8.150 nan 0.000 0.446 363 L N -1.283 119.934 121.223 -0.011 0.000 2.551 363 L HA 0.104 4.444 4.340 -0.000 0.000 0.228 363 L C 1.705 178.568 176.870 -0.012 0.000 1.153 363 L CA 0.605 55.437 54.840 -0.014 0.000 0.851 363 L CB -0.340 41.704 42.059 -0.025 0.000 0.959 363 L HN 0.604 nan 8.230 nan 0.000 0.451 364 G N 0.059 108.851 108.800 -0.013 0.000 2.132 364 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.234 364 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.234 364 G C 0.089 174.972 174.900 -0.029 0.000 0.989 364 G CA -0.217 44.879 45.100 -0.008 0.000 0.676 364 G HN 0.207 nan 8.290 nan 0.000 0.522 365 L N 0.326 121.513 121.223 -0.060 0.000 2.399 365 L HA 0.617 4.957 4.340 -0.000 0.000 0.265 365 L C 0.407 177.158 176.870 -0.199 0.000 1.089 365 L CA -1.068 53.708 54.840 -0.106 0.000 0.802 365 L CB 0.705 42.701 42.059 -0.106 0.000 1.180 365 L HN 0.022 nan 8.230 nan 0.000 0.454 366 E N 1.316 121.316 120.200 -0.334 0.000 2.231 366 E HA 0.396 4.746 4.350 -0.000 0.000 0.277 366 E C -1.035 175.092 176.600 -0.789 0.000 0.999 366 E CA -0.517 55.453 56.400 -0.715 0.000 0.827 366 E CB 2.399 31.434 29.700 -1.109 0.000 1.101 366 E HN 0.148 nan 8.360 nan 0.000 0.393 367 V N 4.088 123.502 119.914 -0.833 0.000 2.357 367 V HA 0.270 4.390 4.120 -0.000 0.000 0.281 367 V C -0.954 174.810 176.094 -0.550 0.000 1.015 367 V CA -0.670 61.345 62.300 -0.475 0.000 0.827 367 V CB -0.004 31.787 31.823 -0.054 0.000 1.018 367 V HN 0.441 nan 8.190 nan 0.000 0.432 368 F N 3.089 122.951 119.950 -0.146 0.000 2.410 368 F HA 0.499 5.026 4.527 -0.000 0.000 0.349 368 F C 0.935 176.867 175.800 0.219 0.000 1.117 368 F CA -0.538 57.371 58.000 -0.153 0.000 1.104 368 F CB 0.565 39.406 39.000 -0.265 0.000 1.122 368 F HN 0.433 nan 8.300 nan 0.000 0.483 369 H N 1.780 121.132 119.070 0.471 0.000 2.548 369 H HA 0.507 5.063 4.556 -0.000 0.000 0.331 369 H C 0.204 175.641 175.328 0.182 0.000 1.093 369 H CA -0.256 55.945 56.048 0.256 0.000 1.367 369 H CB 1.660 31.520 29.762 0.164 0.000 1.455 369 H HN 0.868 nan 8.280 nan 0.000 0.519 370 A N 3.115 126.042 122.820 0.179 0.000 2.417 370 A HA 0.269 4.589 4.320 -0.000 0.000 0.224 370 A C 1.393 179.022 177.584 0.075 0.000 2.273 370 A CA 0.507 52.607 52.037 0.104 0.000 1.018 370 A CB -0.554 18.468 19.000 0.036 0.000 1.400 370 A HN 0.697 nan 8.150 nan 0.000 0.580 371 G N 1.402 110.207 108.800 0.009 0.000 3.058 371 G HA2 0.469 4.429 3.960 -0.000 0.000 0.316 371 G HA3 0.469 4.429 3.960 -0.000 0.000 0.316 371 G C -0.009 174.906 174.900 0.025 0.000 0.951 371 G CA 0.579 45.697 45.100 0.031 0.000 1.535 371 G HN 0.785 nan 8.290 nan 0.000 0.500 372 T N -1.645 112.953 114.554 0.072 0.000 2.916 372 T HA 0.878 5.228 4.350 -0.000 0.000 0.292 372 T C -0.235 174.491 174.700 0.044 0.000 1.064 372 T CA -0.402 61.733 62.100 0.058 0.000 1.011 372 T CB 2.590 71.522 68.868 0.107 0.000 1.152 372 T HN 1.081 nan 8.240 nan 0.000 0.510 373 A N 0.879 123.704 122.820 0.008 0.000 2.568 373 A HA 0.770 5.090 4.320 -0.000 0.000 0.291 373 A C -1.670 175.889 177.584 -0.042 0.000 1.159 373 A CA -1.121 50.872 52.037 -0.074 0.000 0.679 373 A CB 0.974 19.841 19.000 -0.223 0.000 1.285 373 A HN 0.905 nan 8.150 nan 0.000 0.428 374 L N 0.448 121.634 121.223 -0.062 0.000 2.295 374 L HA 0.687 5.027 4.340 -0.000 0.000 0.285 374 L C -0.425 176.429 176.870 -0.026 0.000 1.035 374 L CA -0.618 54.199 54.840 -0.037 0.000 0.806 374 L CB 1.558 43.589 42.059 -0.047 0.000 1.214 374 L HN 0.588 nan 8.230 nan 0.000 0.426 375 K N 3.206 123.603 120.400 -0.005 0.000 2.613 375 K HA 0.339 4.659 4.320 -0.000 0.000 0.248 375 K C -0.500 176.106 176.600 0.009 0.000 0.959 375 K CA -0.411 55.878 56.287 0.003 0.000 0.855 375 K CB 0.628 33.137 32.500 0.015 0.000 1.143 375 K HN 0.512 nan 8.250 nan 0.000 0.437 376 N N 3.009 121.712 118.700 0.005 0.000 2.754 376 N HA -0.239 4.501 4.740 -0.000 0.000 0.248 376 N C 0.532 176.047 175.510 0.009 0.000 1.093 376 N CA 1.382 54.437 53.050 0.007 0.000 0.699 376 N CB -1.031 37.464 38.487 0.013 0.000 1.016 376 N HN 1.032 nan 8.380 nan 0.000 0.552 377 G N -1.173 107.629 108.800 0.003 0.000 2.363 377 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.238 377 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.238 377 G C 0.055 174.964 174.900 0.014 0.000 1.062 377 G CA 0.748 45.851 45.100 0.005 0.000 0.629 377 G HN 0.316 nan 8.290 nan 0.000 0.514 378 K N 1.365 121.780 120.400 0.025 0.000 2.322 378 K HA 0.548 4.868 4.320 -0.000 0.000 0.283 378 K C 0.623 177.249 176.600 0.044 0.000 1.042 378 K CA -0.379 55.935 56.287 0.045 0.000 0.958 378 K CB 1.660 34.190 32.500 0.050 0.000 0.984 378 K HN 0.268 nan 8.250 nan 0.000 0.473 379 V N 3.588 123.545 119.914 0.072 0.000 2.572 379 V HA 0.193 4.313 4.120 -0.000 0.000 0.291 379 V C 0.527 176.672 176.094 0.086 0.000 1.039 379 V CA -0.571 61.775 62.300 0.076 0.000 1.055 379 V CB 0.846 32.741 31.823 0.119 0.000 0.969 379 V HN 0.578 nan 8.190 nan 0.000 0.482 380 V N 1.359 121.300 119.914 0.045 0.000 3.078 380 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 380 V C 0.016 176.099 176.094 -0.018 0.000 1.138 380 V CA -0.545 61.767 62.300 0.019 0.000 1.007 380 V CB 1.978 33.825 31.823 0.039 0.000 1.045 380 V HN 0.914 nan 8.190 nan 0.000 0.432 381 T N -0.127 114.378 114.554 -0.082 0.000 2.916 381 T HA 0.318 4.668 4.350 -0.000 0.000 0.303 381 T C 0.114 174.849 174.700 0.059 0.000 1.025 381 T CA 0.238 62.261 62.100 -0.127 0.000 1.142 381 T CB 0.055 68.778 68.868 -0.243 0.000 0.947 381 T HN 1.259 nan 8.240 nan 0.000 0.544 382 H N 1.398 120.438 119.070 -0.051 0.000 2.825 382 H HA 0.429 4.986 4.556 0.000 0.000 0.226 382 H C 0.019 175.368 175.328 0.034 0.000 1.414 382 H CA -0.067 55.996 56.048 0.026 0.000 1.198 382 H CB -0.023 29.751 29.762 0.019 0.000 2.013 382 H HN 1.162 nan 8.280 nan 0.000 0.530 383 G N -1.203 107.552 108.800 -0.076 0.000 2.316 383 G HA2 0.193 4.153 3.960 -0.000 0.000 0.296 383 G HA3 0.193 4.153 3.960 -0.000 0.000 0.296 383 G C 0.654 175.097 174.900 -0.762 0.000 1.399 383 G CA -0.180 44.786 45.100 -0.223 0.000 0.833 383 G HN 0.262 nan 8.290 nan 0.000 0.565 384 G N -0.533 107.669 108.800 -0.997 0.000 2.484 384 G HA2 0.022 3.982 3.960 -0.000 0.000 0.215 384 G HA3 0.022 3.982 3.960 -0.000 0.000 0.215 384 G C 0.756 175.086 174.900 -0.950 0.000 1.219 384 G CA 0.592 45.011 45.100 -1.136 0.000 0.791 384 G HN 0.632 nan 8.290 nan 0.000 0.550 385 R N -0.133 119.919 120.500 -0.746 0.000 2.265 385 R HA 0.436 4.776 4.340 -0.000 0.000 0.319 385 R C 0.553 176.690 176.300 -0.270 0.000 1.006 385 R CA -0.547 55.246 56.100 -0.512 0.000 0.880 385 R CB 2.156 32.225 30.300 -0.384 0.000 1.077 385 R HN 0.103 nan 8.270 nan 0.000 0.454 386 V N 3.723 123.521 119.914 -0.193 0.000 2.436 386 V HA 0.079 4.199 4.120 -0.000 0.000 0.240 386 V C 0.339 176.367 176.094 -0.111 0.000 1.040 386 V CA 1.016 63.197 62.300 -0.197 0.000 1.052 386 V CB -0.171 31.435 31.823 -0.362 0.000 0.707 386 V HN 0.629 nan 8.190 nan 0.000 0.469 387 L N -2.894 118.301 121.223 -0.048 0.000 2.765 387 L HA 0.960 5.300 4.340 -0.000 0.000 0.263 387 L C -0.979 175.910 176.870 0.033 0.000 1.068 387 L CA -0.921 53.921 54.840 0.003 0.000 0.903 387 L CB 1.525 43.552 42.059 -0.054 0.000 1.512 387 L HN -0.087 nan 8.230 nan 0.000 0.404 388 A N 0.455 123.316 122.820 0.068 0.000 2.356 388 A HA 0.851 5.171 4.320 -0.000 0.000 0.310 388 A C -1.104 176.493 177.584 0.021 0.000 1.075 388 A CA -0.722 51.356 52.037 0.069 0.000 0.746 388 A CB 1.750 20.830 19.000 0.132 0.000 1.221 388 A HN 0.714 nan 8.150 nan 0.000 0.443 389 V N 2.618 122.515 119.914 -0.028 0.000 2.350 389 V HA 0.452 4.572 4.120 -0.000 0.000 0.276 389 V C 0.173 176.243 176.094 -0.042 0.000 1.028 389 V CA -0.124 62.124 62.300 -0.086 0.000 0.860 389 V CB 1.275 33.027 31.823 -0.119 0.000 0.990 389 V HN 0.920 nan 8.190 nan 0.000 0.453 390 T N 4.706 119.220 114.554 -0.066 0.000 2.794 390 T HA 0.722 5.072 4.350 -0.000 0.000 0.280 390 T C 0.042 174.727 174.700 -0.025 0.000 0.987 390 T CA -0.254 61.850 62.100 0.006 0.000 0.993 390 T CB 1.592 70.525 68.868 0.108 0.000 0.939 390 T HN 0.864 nan 8.240 nan 0.000 0.449 391 A N 3.122 125.955 122.820 0.021 0.000 2.337 391 A HA 0.823 5.143 4.320 -0.000 0.000 0.329 391 A C -0.826 176.796 177.584 0.063 0.000 1.146 391 A CA -0.700 51.352 52.037 0.025 0.000 0.800 391 A CB 0.435 19.451 19.000 0.027 0.000 1.220 391 A HN 0.750 nan 8.150 nan 0.000 0.472 392 I N 2.525 123.133 120.570 0.063 0.000 2.382 392 I HA 0.557 4.727 4.170 -0.000 0.000 0.286 392 I C 0.334 176.512 176.117 0.101 0.000 1.002 392 I CA -0.070 61.284 61.300 0.090 0.000 1.135 392 I CB 1.263 39.306 38.000 0.071 0.000 1.288 392 I HN 0.592 nan 8.210 nan 0.000 0.448 393 R N 3.452 124.036 120.500 0.140 0.000 3.080 393 R HA 0.470 4.810 4.340 -0.000 0.000 0.248 393 R C 0.638 177.061 176.300 0.204 0.000 1.324 393 R CA -0.796 55.397 56.100 0.154 0.000 1.036 393 R CB 0.440 30.799 30.300 0.098 0.000 1.360 393 R HN 0.405 nan 8.270 nan 0.000 0.479 394 E N 0.596 120.880 120.200 0.140 0.000 2.216 394 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 394 E C -0.202 176.431 176.600 0.055 0.000 0.988 394 E CA 0.861 57.308 56.400 0.077 0.000 0.834 394 E CB -0.112 29.611 29.700 0.038 0.000 0.772 394 E HN 0.566 nan 8.360 nan 0.000 0.479 395 N N -1.952 116.787 118.700 0.065 0.000 2.825 395 N HA 0.130 4.870 4.740 -0.000 0.000 0.253 395 N C -0.022 175.519 175.510 0.051 0.000 1.426 395 N CA -0.715 52.367 53.050 0.052 0.000 0.851 395 N CB 0.497 39.005 38.487 0.035 0.000 1.470 395 N HN -0.263 nan 8.380 nan 0.000 0.517 396 L N 0.411 121.654 121.223 0.034 0.000 1.971 396 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 396 L C 1.924 178.797 176.870 0.006 0.000 1.072 396 L CA 1.785 56.628 54.840 0.004 0.000 0.758 396 L CB -1.022 41.003 42.059 -0.056 0.000 0.889 396 L HN 0.729 nan 8.230 nan 0.000 0.433 397 I N -0.917 119.659 120.570 0.009 0.000 2.163 397 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 397 I C 2.795 178.925 176.117 0.022 0.000 1.085 397 I CA 1.605 62.913 61.300 0.014 0.000 1.347 397 I CB -0.214 37.796 38.000 0.017 0.000 1.044 397 I HN 0.253 nan 8.210 nan 0.000 0.408 398 S N 0.109 115.827 115.700 0.028 0.000 2.399 398 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 398 S C 2.110 176.733 174.600 0.038 0.000 1.022 398 S CA 1.316 59.536 58.200 0.033 0.000 0.983 398 S CB -0.180 63.044 63.200 0.039 0.000 0.803 398 S HN 0.482 nan 8.310 nan 0.000 0.480 399 A N 1.051 123.899 122.820 0.046 0.000 1.929 399 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 399 A C 2.065 179.673 177.584 0.040 0.000 1.176 399 A CA 1.315 53.384 52.037 0.053 0.000 0.628 399 A CB -0.738 18.307 19.000 0.075 0.000 0.816 399 A HN 0.538 nan 8.150 nan 0.000 0.444 400 L N -0.015 121.228 121.223 0.033 0.000 2.017 400 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 400 L C 2.189 179.071 176.870 0.020 0.000 1.073 400 L CA 2.271 57.127 54.840 0.028 0.000 0.745 400 L CB -0.638 41.435 42.059 0.023 0.000 0.894 400 L HN 0.346 nan 8.230 nan 0.000 0.432 401 E N -0.269 119.942 120.200 0.018 0.000 2.072 401 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 401 E C 2.110 178.713 176.600 0.005 0.000 0.985 401 E CA 0.959 57.366 56.400 0.012 0.000 0.801 401 E CB -0.290 29.418 29.700 0.013 0.000 0.750 401 E HN 0.531 nan 8.360 nan 0.000 0.452 402 E N 0.891 121.096 120.200 0.009 0.000 2.118 402 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 402 E C 1.992 178.584 176.600 -0.014 0.000 0.992 402 E CA 1.049 57.450 56.400 0.002 0.000 0.804 402 E CB -0.291 29.416 29.700 0.012 0.000 0.741 402 E HN 0.221 nan 8.360 nan 0.000 0.458 403 A N 1.240 124.054 122.820 -0.010 0.000 1.933 403 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 403 A C 2.070 179.617 177.584 -0.062 0.000 1.175 403 A CA 1.650 53.668 52.037 -0.031 0.000 0.628 403 A CB -0.324 18.670 19.000 -0.009 0.000 0.814 403 A HN 0.108 nan 8.150 nan 0.000 0.444 404 K N -0.265 120.111 120.400 -0.039 0.000 2.288 404 K HA -0.051 4.269 4.320 -0.000 0.000 0.201 404 K C 1.831 178.396 176.600 -0.058 0.000 1.048 404 K CA 1.217 57.477 56.287 -0.044 0.000 0.956 404 K CB -0.016 32.486 32.500 0.004 0.000 0.746 404 K HN 0.492 nan 8.250 nan 0.000 0.461 405 K N -0.599 119.771 120.400 -0.050 0.000 2.116 405 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 405 K C 2.162 178.713 176.600 -0.082 0.000 1.052 405 K CA 1.120 57.376 56.287 -0.052 0.000 0.952 405 K CB -0.047 32.433 32.500 -0.034 0.000 0.729 405 K HN 0.196 nan 8.250 nan 0.000 0.446 406 G N 1.722 110.463 108.800 -0.098 0.000 2.421 406 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 406 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 406 G C 1.485 176.273 174.900 -0.187 0.000 1.171 406 G CA 0.594 45.617 45.100 -0.127 0.000 0.775 406 G HN 0.078 nan 8.290 nan 0.000 0.543 407 L N 0.632 121.706 121.223 -0.248 0.000 2.131 407 L HA -0.060 4.279 4.340 -0.000 0.000 0.210 407 L C 3.315 179.994 176.870 -0.318 0.000 1.092 407 L CA 1.018 55.593 54.840 -0.441 0.000 0.759 407 L CB -0.327 41.302 42.059 -0.718 0.000 0.903 407 L HN 0.319 nan 8.230 nan 0.000 0.435 408 A N -0.222 122.500 122.820 -0.163 0.000 1.930 408 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 408 A C 2.521 180.051 177.584 -0.089 0.000 1.176 408 A CA 1.216 53.206 52.037 -0.078 0.000 0.632 408 A CB -0.482 18.497 19.000 -0.035 0.000 0.819 408 A HN 0.346 nan 8.150 nan 0.000 0.445 409 A N -0.290 122.466 122.820 -0.105 0.000 1.930 409 A HA 0.169 4.489 4.320 -0.000 0.000 0.217 409 A C 0.982 178.482 177.584 -0.141 0.000 1.175 409 A CA 0.542 52.519 52.037 -0.101 0.000 0.627 409 A CB -0.423 18.523 19.000 -0.090 0.000 0.815 409 A HN 0.432 nan 8.150 nan 0.000 0.443 410 I N 1.101 121.559 120.570 -0.187 0.000 2.416 410 I HA 0.139 4.309 4.170 -0.000 0.000 0.288 410 I C -0.243 175.782 176.117 -0.154 0.000 1.051 410 I CA 0.125 61.285 61.300 -0.234 0.000 1.375 410 I CB 1.050 38.878 38.000 -0.287 0.000 1.407 410 I HN 0.204 nan 8.210 nan 0.000 0.516 411 K N 7.890 128.227 120.400 -0.105 0.000 2.397 411 K HA 0.700 5.020 4.320 -0.000 0.000 0.253 411 K C -1.225 175.441 176.600 0.111 0.000 0.932 411 K CA -0.710 55.546 56.287 -0.051 0.000 0.795 411 K CB 2.308 34.782 32.500 -0.045 0.000 1.159 411 K HN 0.487 nan 8.250 nan 0.000 0.424 412 F N -1.801 118.125 119.950 -0.042 0.000 2.623 412 F HA 0.295 4.823 4.527 0.000 0.000 0.323 412 F C -0.441 175.364 175.800 0.008 0.000 1.158 412 F CA -1.143 56.847 58.000 -0.016 0.000 1.030 412 F CB 1.163 40.153 39.000 -0.017 0.000 1.280 412 F HN 0.436 nan 8.300 nan 0.000 0.474 413 E N 2.203 122.476 120.200 0.122 0.000 2.868 413 E HA 0.287 4.637 4.350 -0.000 0.000 0.246 413 E C 1.114 177.752 176.600 0.064 0.000 0.962 413 E CA 1.907 58.342 56.400 0.058 0.000 0.955 413 E CB 0.059 29.808 29.700 0.081 0.000 0.903 413 E HN 1.191 nan 8.360 nan 0.000 0.524 414 G N 2.587 111.364 108.800 -0.038 0.000 2.176 414 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.232 414 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.232 414 G C 0.341 175.180 174.900 -0.102 0.000 0.986 414 G CA -0.162 44.927 45.100 -0.018 0.000 0.643 414 G HN 0.824 nan 8.290 nan 0.000 0.522 415 A N 1.121 123.701 122.820 -0.401 0.000 2.537 415 A HA 0.489 4.809 4.320 -0.000 0.000 0.260 415 A C 0.881 178.334 177.584 -0.218 0.000 1.082 415 A CA 0.819 52.462 52.037 -0.656 0.000 0.765 415 A CB -0.417 17.697 19.000 -1.477 0.000 1.019 415 A HN 1.606 nan 8.150 nan 0.000 0.507 416 I N 1.355 121.896 120.570 -0.049 0.000 2.525 416 I HA 0.917 5.087 4.170 -0.000 0.000 0.301 416 I C -0.667 175.506 176.117 0.094 0.000 0.992 416 I CA -1.004 60.265 61.300 -0.053 0.000 1.162 416 I CB 1.679 39.676 38.000 -0.005 0.000 1.332 416 I HN 0.753 nan 8.210 nan 0.000 0.458 417 Y N 1.657 121.934 120.300 -0.037 0.000 2.604 417 Y HA 0.601 5.151 4.550 -0.000 0.000 0.331 417 Y C -1.310 174.578 175.900 -0.021 0.000 1.158 417 Y CA -1.354 56.734 58.100 -0.019 0.000 1.056 417 Y CB 0.953 39.391 38.460 -0.036 0.000 1.330 417 Y HN 0.555 nan 8.280 nan 0.000 0.457 418 R N 1.724 122.326 120.500 0.170 0.000 2.410 418 R HA 0.385 4.725 4.340 -0.000 0.000 0.288 418 R C -0.261 176.111 176.300 0.121 0.000 1.051 418 R CA -0.787 55.354 56.100 0.068 0.000 1.021 418 R CB 1.191 31.510 30.300 0.033 0.000 1.032 418 R HN 0.783 nan 8.270 nan 0.000 0.481 419 K N 1.386 121.811 120.400 0.042 0.000 2.437 419 K HA 0.011 4.331 4.320 -0.000 0.000 0.205 419 K C -0.220 176.384 176.600 0.006 0.000 1.026 419 K CA 0.188 56.508 56.287 0.055 0.000 1.153 419 K CB 0.477 32.996 32.500 0.032 0.000 0.863 419 K HN 0.548 nan 8.250 nan 0.000 0.502 420 D N -0.370 120.017 120.400 -0.022 0.000 2.582 420 D HA 0.008 4.648 4.640 -0.000 0.000 0.246 420 D C 0.187 176.514 176.300 0.045 0.000 1.334 420 D CA -0.411 53.580 54.000 -0.015 0.000 0.805 420 D CB 0.122 40.828 40.800 -0.157 0.000 1.087 420 D HN -0.138 nan 8.370 nan 0.000 0.499 421 I N 1.885 122.434 120.570 -0.035 0.000 2.919 421 I HA 0.225 4.395 4.170 -0.000 0.000 0.299 421 I C 1.863 178.015 176.117 0.059 0.000 1.221 421 I CA 1.760 63.016 61.300 -0.073 0.000 1.424 421 I CB -0.453 37.579 38.000 0.054 0.000 1.358 421 I HN 0.519 nan 8.210 nan 0.000 0.551 422 G N 6.214 115.108 108.800 0.157 0.000 2.179 422 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.220 422 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.220 422 G C 0.630 175.452 174.900 -0.131 0.000 0.990 422 G CA 0.255 45.197 45.100 -0.264 0.000 0.646 422 G HN 0.665 nan 8.290 nan 0.000 0.517 423 F N 1.429 121.383 119.950 0.007 0.000 2.216 423 F HA 0.146 4.672 4.527 -0.000 0.000 0.300 423 F C 2.314 178.141 175.800 0.046 0.000 1.085 423 F CA 1.705 59.715 58.000 0.017 0.000 1.326 423 F CB -0.478 38.541 39.000 0.031 0.000 1.027 423 F HN 0.204 nan 8.300 nan 0.000 0.497 424 R N 0.906 121.042 120.500 -0.607 0.000 2.090 424 R HA 0.098 4.438 4.340 -0.000 0.000 0.228 424 R C 2.599 178.828 176.300 -0.118 0.000 1.110 424 R CA 1.001 56.854 56.100 -0.412 0.000 0.973 424 R CB -0.725 29.267 30.300 -0.514 0.000 0.869 424 R HN 0.447 nan 8.270 nan 0.000 0.440 425 A N 1.353 124.082 122.820 -0.152 0.000 1.898 425 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 425 A C 2.136 179.729 177.584 0.015 0.000 1.181 425 A CA 1.105 53.097 52.037 -0.075 0.000 0.620 425 A CB -0.432 18.424 19.000 -0.241 0.000 0.819 425 A HN 0.151 nan 8.150 nan 0.000 0.442 426 I N -0.068 120.475 120.570 -0.045 0.000 2.226 426 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 426 I C 2.916 179.073 176.117 0.066 0.000 1.100 426 I CA 1.150 62.462 61.300 0.020 0.000 1.374 426 I CB -0.296 37.716 38.000 0.021 0.000 1.057 426 I HN 0.340 nan 8.210 nan 0.000 0.413 427 A N 0.409 123.278 122.820 0.082 0.000 1.930 427 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 427 A C 2.230 179.874 177.584 0.100 0.000 1.175 427 A CA 1.207 53.299 52.037 0.092 0.000 0.627 427 A CB -0.939 18.128 19.000 0.112 0.000 0.815 427 A HN 0.451 nan 8.150 nan 0.000 0.443 428 F N 0.455 120.390 119.950 -0.026 0.000 2.095 428 F HA -0.077 4.450 4.527 0.000 0.000 0.298 428 F C 1.067 176.860 175.800 -0.011 0.000 1.104 428 F CA 1.344 59.332 58.000 -0.020 0.000 1.232 428 F CB -0.182 38.803 39.000 -0.025 0.000 0.987 428 F HN 0.078 nan 8.300 nan 0.000 0.475 429 L N 1.819 123.071 121.223 0.049 0.000 2.821 429 L HA 0.066 4.406 4.340 -0.000 0.000 0.239 429 L C 0.634 177.459 176.870 -0.075 0.000 1.391 429 L CA -0.042 54.771 54.840 -0.046 0.000 1.231 429 L CB -1.234 40.870 42.059 0.077 0.000 1.598 429 L HN 0.322 nan 8.230 nan 0.000 0.428 430 Q N 0.000 119.723 119.800 -0.128 0.000 2.315 430 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 430 Q CA 0.000 55.754 55.803 -0.081 0.000 1.022 430 Q CB 0.000 28.687 28.738 -0.085 0.000 1.108 430 Q HN 0.000 nan 8.270 nan 0.000 0.481