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 3l68_1_A DATA FIRST_RESID 3 DATA SEQUENCE ALFEPYTLKD VTLRNRIAIP PMSQYMAEDG MINDWHHVHL AGLARGGAGL DATA SEQUENCE LVVEATAVAP EGRITPGCAG IWSDAHAQAF VPVVQAIKAA GSVPGIQIAH DATA SEQUENCE AGRKASANRP WEGDDHIAAD DTRGWETIAP SAIAFGAHLP KVPREMTLDD DATA SEQUENCE IARVKQDFVD AARRARDAGF EWIELHFAHG YLGQSFFSEH SNKRTDAYGG DATA SEQUENCE SFDNRSRFLL ETLAAVREVW PENLPLTARF GVLEYDGRDE QTLEESIELA DATA SEQUENCE RRFKAGGLDL LSVSVGFTIP DTNIPWGPAF MGPIAERVRR EAKLPVTSAW DATA SEQUENCE GFGTPQLAEA ALQANQLDLV SVGRAHLADP HWAYFAAKEL GVEKASWTLP DATA SEQUENCE APYAHWLE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.617 177.584 0.054 0.000 1.274 3 A CA 0.000 52.083 52.037 0.077 0.000 0.836 3 A CB 0.000 19.034 19.000 0.056 0.000 0.831 4 L N -0.332 120.921 121.223 0.051 0.000 2.191 4 L HA 0.199 4.540 4.340 0.002 0.000 0.212 4 L C 1.039 177.726 176.870 -0.306 0.000 1.103 4 L CA 2.198 56.971 54.840 -0.112 0.000 0.769 4 L CB -0.567 41.422 42.059 -0.117 0.000 0.908 4 L HN 0.396 nan 8.230 nan 0.000 0.438 5 F N -0.489 119.488 119.950 0.045 0.000 2.684 5 F HA 0.279 4.808 4.527 0.002 0.000 0.298 5 F C 0.754 176.586 175.800 0.053 0.000 1.120 5 F CA -0.614 57.416 58.000 0.049 0.000 1.332 5 F CB -0.097 38.925 39.000 0.036 0.000 0.986 5 F HN 0.003 nan 8.300 nan 0.000 0.524 6 E N 2.974 123.260 120.200 0.142 0.000 2.283 6 E HA 0.175 4.526 4.350 0.002 0.000 0.278 6 E C -2.155 174.515 176.600 0.116 0.000 1.027 6 E CA -2.062 54.411 56.400 0.122 0.000 0.843 6 E CB 0.622 30.384 29.700 0.102 0.000 1.062 6 E HN -0.057 nan 8.360 nan 0.000 0.401 7 P HA -0.029 nan 4.420 nan 0.000 0.273 7 P C -1.233 176.192 177.300 0.209 0.000 1.250 7 P CA 0.050 63.233 63.100 0.138 0.000 0.793 7 P CB 0.448 32.212 31.700 0.106 0.000 1.011 8 Y N -0.740 119.591 120.300 0.053 0.000 2.396 8 Y HA 0.390 4.941 4.550 0.002 0.000 0.332 8 Y C -1.099 174.854 175.900 0.088 0.000 1.034 8 Y CA -0.404 57.736 58.100 0.067 0.000 1.057 8 Y CB 1.454 39.956 38.460 0.069 0.000 1.220 8 Y HN 0.158 nan 8.280 nan 0.000 0.440 9 T N 7.588 121.904 114.554 -0.396 0.000 2.779 9 T HA 0.581 4.932 4.350 0.002 0.000 0.280 9 T C -1.734 172.644 174.700 -0.538 0.000 0.987 9 T CA -0.416 61.490 62.100 -0.325 0.000 0.966 9 T CB 0.842 69.626 68.868 -0.141 0.000 0.933 9 T HN 0.494 nan 8.240 nan 0.000 0.442 10 L N 4.951 125.975 121.223 -0.331 0.000 2.406 10 L HA 0.529 4.870 4.340 0.002 0.000 0.272 10 L C 0.249 177.065 176.870 -0.089 0.000 0.980 10 L CA -0.278 54.423 54.840 -0.233 0.000 0.831 10 L CB 0.893 42.861 42.059 -0.153 0.000 1.253 10 L HN 0.475 nan 8.230 nan 0.000 0.406 11 K N 2.165 122.517 120.400 -0.081 0.000 1.824 11 K HA -0.279 4.043 4.320 0.002 0.000 0.120 11 K C 0.179 176.756 176.600 -0.039 0.000 1.268 11 K CA 1.967 58.224 56.287 -0.050 0.000 0.420 11 K CB -0.886 31.591 32.500 -0.039 0.000 0.586 11 K HN 0.764 nan 8.250 nan 0.000 0.907 12 D N 0.989 121.375 120.400 -0.023 0.000 2.339 12 D HA 0.146 4.787 4.640 0.002 0.000 0.217 12 D C -0.165 176.141 176.300 0.010 0.000 1.050 12 D CA 0.245 54.236 54.000 -0.015 0.000 0.856 12 D CB 0.268 41.054 40.800 -0.023 0.000 0.922 12 D HN 0.072 nan 8.370 nan 0.000 0.518 13 V N 0.644 120.580 119.914 0.037 0.000 2.427 13 V HA 0.339 4.460 4.120 0.002 0.000 0.286 13 V C 0.399 176.536 176.094 0.071 0.000 1.034 13 V CA -0.309 62.045 62.300 0.090 0.000 0.893 13 V CB 1.973 33.919 31.823 0.204 0.000 0.982 13 V HN -0.113 nan 8.190 nan 0.000 0.452 14 T N 6.482 121.077 114.554 0.068 0.000 2.791 14 T HA 0.562 4.914 4.350 0.002 0.000 0.288 14 T C -0.342 174.408 174.700 0.084 0.000 0.999 14 T CA -0.335 61.799 62.100 0.056 0.000 0.952 14 T CB 0.672 69.561 68.868 0.035 0.000 0.938 14 T HN 0.369 nan 8.240 nan 0.000 0.444 15 L N 3.846 125.138 121.223 0.115 0.000 2.350 15 L HA 0.489 4.831 4.340 0.002 0.000 0.275 15 L C 1.987 178.915 176.870 0.097 0.000 1.099 15 L CA -0.921 53.978 54.840 0.099 0.000 0.808 15 L CB 0.953 43.079 42.059 0.111 0.000 1.149 15 L HN 0.707 nan 8.230 nan 0.000 0.442 16 R N 1.281 121.828 120.500 0.078 0.000 2.235 16 R HA -0.013 4.328 4.340 0.002 0.000 0.213 16 R C -0.108 176.258 176.300 0.110 0.000 1.059 16 R CA 0.811 56.967 56.100 0.094 0.000 0.997 16 R CB -0.328 30.029 30.300 0.096 0.000 0.884 16 R HN 0.876 nan 8.270 nan 0.000 0.462 17 N N -1.398 117.345 118.700 0.072 0.000 3.243 17 N HA 0.203 4.944 4.740 0.002 0.000 0.280 17 N C -0.553 174.935 175.510 -0.037 0.000 1.545 17 N CA -1.132 51.925 53.050 0.012 0.000 0.854 17 N CB 0.629 39.068 38.487 -0.082 0.000 1.612 17 N HN -0.265 nan 8.380 nan 0.000 0.577 18 R N -0.252 120.177 120.500 -0.120 0.000 2.356 18 R HA 0.398 4.739 4.340 0.002 0.000 0.234 18 R C -0.247 175.967 176.300 -0.143 0.000 0.929 18 R CA -0.190 55.833 56.100 -0.129 0.000 1.084 18 R CB -0.978 29.240 30.300 -0.137 0.000 1.105 18 R HN 0.629 nan 8.270 nan 0.000 0.515 19 I N 1.467 121.960 120.570 -0.128 0.000 2.337 19 I HA 0.222 4.393 4.170 0.002 0.000 0.291 19 I C 0.212 176.288 176.117 -0.068 0.000 1.046 19 I CA -0.461 60.814 61.300 -0.042 0.000 1.324 19 I CB 1.272 39.317 38.000 0.075 0.000 1.409 19 I HN -0.082 nan 8.210 nan 0.000 0.494 20 A N 7.866 130.627 122.820 -0.098 0.000 2.342 20 A HA 0.754 5.075 4.320 0.002 0.000 0.323 20 A C -0.509 176.989 177.584 -0.143 0.000 1.125 20 A CA -0.568 51.373 52.037 -0.160 0.000 0.785 20 A CB 0.782 19.664 19.000 -0.197 0.000 1.221 20 A HN 0.683 nan 8.150 nan 0.000 0.463 21 I N 4.520 124.971 120.570 -0.198 0.000 2.304 21 I HA 0.290 4.462 4.170 0.002 0.000 0.291 21 I C -1.941 174.105 176.117 -0.120 0.000 1.018 21 I CA -1.897 59.279 61.300 -0.207 0.000 1.260 21 I CB 1.637 39.433 38.000 -0.340 0.000 1.390 21 I HN 0.480 nan 8.210 nan 0.000 0.475 22 P HA 0.238 nan 4.420 nan 0.000 0.276 22 P C -2.630 174.683 177.300 0.021 0.000 1.261 22 P CA -1.929 61.168 63.100 -0.005 0.000 0.800 22 P CB -0.299 31.433 31.700 0.054 0.000 1.066 23 P HA 0.138 nan 4.420 nan 0.000 0.264 23 P C -0.485 176.873 177.300 0.098 0.000 1.193 23 P CA 0.858 63.985 63.100 0.044 0.000 0.763 23 P CB 0.158 31.854 31.700 -0.006 0.000 0.810 24 M N 1.972 121.647 119.600 0.125 0.000 2.060 24 M HA 0.146 4.627 4.480 0.002 0.000 0.275 24 M C -0.105 176.265 176.300 0.117 0.000 0.919 24 M CA -0.314 55.074 55.300 0.148 0.000 0.970 24 M CB 1.546 34.253 32.600 0.179 0.000 1.670 24 M HN 0.168 nan 8.290 nan 0.000 0.440 25 S N 2.174 117.887 115.700 0.022 0.000 2.573 25 S HA -0.008 4.463 4.470 0.002 0.000 0.297 25 S C 0.874 175.348 174.600 -0.209 0.000 1.280 25 S CA 0.053 58.120 58.200 -0.221 0.000 1.061 25 S CB 0.560 63.416 63.200 -0.574 0.000 0.812 25 S HN 0.592 nan 8.310 nan 0.000 0.500 26 Q N 1.013 120.722 119.800 -0.152 0.000 2.316 26 Q HA 0.130 4.471 4.340 0.002 0.000 0.235 26 Q C -0.338 175.788 176.000 0.209 0.000 0.863 26 Q CA 0.139 55.996 55.803 0.089 0.000 0.939 26 Q CB 0.041 28.867 28.738 0.146 0.000 1.108 26 Q HN 0.869 nan 8.270 nan 0.000 0.522 27 Y N -0.572 119.820 120.300 0.153 0.000 3.825 27 Y HA -0.238 4.314 4.550 0.002 0.000 0.221 27 Y C 0.961 176.905 175.900 0.074 0.000 1.195 27 Y CA 0.682 58.822 58.100 0.068 0.000 1.699 27 Y CB -1.927 36.446 38.460 -0.145 0.000 1.531 27 Y HN 0.148 nan 8.280 nan 0.000 0.640 28 M N -1.228 118.477 119.600 0.173 0.000 2.347 28 M HA 0.438 4.920 4.480 0.002 0.000 0.302 28 M C 1.142 177.608 176.300 0.277 0.000 1.051 28 M CA 0.363 55.701 55.300 0.063 0.000 0.988 28 M CB 0.157 32.529 32.600 -0.380 0.000 1.475 28 M HN 0.281 nan 8.290 nan 0.000 0.530 29 A N 1.222 124.241 122.820 0.332 0.000 2.304 29 A HA 0.469 4.790 4.320 0.002 0.000 0.271 29 A C -0.182 177.494 177.584 0.153 0.000 1.091 29 A CA -0.214 51.963 52.037 0.233 0.000 0.812 29 A CB 0.690 19.749 19.000 0.099 0.000 1.056 29 A HN 0.373 nan 8.150 nan 0.000 0.489 30 E N 0.585 120.846 120.200 0.103 0.000 2.191 30 E HA 0.360 4.711 4.350 0.002 0.000 0.263 30 E C -1.159 175.499 176.600 0.096 0.000 0.881 30 E CA -0.588 55.869 56.400 0.096 0.000 0.757 30 E CB 0.566 30.309 29.700 0.071 0.000 1.147 30 E HN 0.633 nan 8.360 nan 0.000 0.414 31 D N 3.748 124.240 120.400 0.155 0.000 2.737 31 D HA -0.236 4.405 4.640 0.002 0.000 0.233 31 D C 0.794 177.283 176.300 0.316 0.000 1.155 31 D CA 1.673 55.821 54.000 0.246 0.000 0.667 31 D CB -1.299 39.617 40.800 0.194 0.000 1.060 31 D HN 0.961 nan 8.370 nan 0.000 0.427 32 G N -1.725 107.202 108.800 0.211 0.000 2.253 32 G HA2 -0.339 3.622 3.960 0.002 0.000 0.251 32 G HA3 -0.339 3.622 3.960 0.002 0.000 0.251 32 G C 0.355 175.242 174.900 -0.022 0.000 0.998 32 G CA 0.459 45.556 45.100 -0.005 0.000 0.621 32 G HN 0.347 nan 8.290 nan 0.000 0.524 33 M N 1.946 121.493 119.600 -0.089 0.000 2.162 33 M HA 0.457 4.938 4.480 0.002 0.000 0.356 33 M C 1.335 177.499 176.300 -0.227 0.000 1.303 33 M CA -0.732 54.418 55.300 -0.249 0.000 1.116 33 M CB 0.313 32.742 32.600 -0.286 0.000 1.632 33 M HN 0.465 nan 8.290 nan 0.000 0.469 34 I N 2.235 122.555 120.570 -0.416 0.000 3.211 34 I HA 0.519 4.691 4.170 0.002 0.000 0.297 34 I C 0.062 176.091 176.117 -0.147 0.000 1.095 34 I CA -0.562 60.417 61.300 -0.536 0.000 1.239 34 I CB 0.692 38.129 38.000 -0.939 0.000 1.455 34 I HN 0.799 nan 8.210 nan 0.000 0.630 35 N N -0.305 118.516 118.700 0.202 0.000 3.522 35 N HA 0.197 4.939 4.740 0.002 0.000 0.328 35 N C -0.207 175.465 175.510 0.270 0.000 1.623 35 N CA -0.571 52.596 53.050 0.194 0.000 0.812 35 N CB -0.035 38.565 38.487 0.187 0.000 2.008 35 N HN 0.618 nan 8.380 nan 0.000 0.601 36 D N -1.353 119.160 120.400 0.189 0.000 2.310 36 D HA -0.087 4.554 4.640 0.002 0.000 0.212 36 D C 0.790 177.205 176.300 0.192 0.000 0.965 36 D CA 0.552 54.653 54.000 0.168 0.000 0.879 36 D CB -0.027 40.830 40.800 0.095 0.000 0.921 36 D HN 0.502 nan 8.370 nan 0.000 0.510 37 W N 0.656 121.995 121.300 0.066 0.000 2.333 37 W HA -0.247 4.414 4.660 0.002 0.000 0.316 37 W C 1.418 177.921 176.519 -0.027 0.000 1.215 37 W CA 1.722 59.035 57.345 -0.054 0.000 1.278 37 W CB -0.559 28.757 29.460 -0.239 0.000 1.154 37 W HN 0.202 nan 8.180 nan 0.000 0.486 38 H N -1.758 117.421 119.070 0.181 0.000 2.357 38 H HA -0.177 4.381 4.556 0.002 0.000 0.301 38 H C 2.383 177.756 175.328 0.074 0.000 1.082 38 H CA 2.162 58.298 56.048 0.147 0.000 1.342 38 H CB -1.103 28.783 29.762 0.207 0.000 1.389 38 H HN 0.252 nan 8.280 nan 0.000 0.511 39 H N 0.718 119.860 119.070 0.119 0.000 2.267 39 H HA -0.123 4.434 4.556 0.002 0.000 0.297 39 H C 2.130 177.442 175.328 -0.027 0.000 1.080 39 H CA 2.049 58.123 56.048 0.043 0.000 1.278 39 H CB -0.152 29.625 29.762 0.026 0.000 1.365 39 H HN 0.216 nan 8.280 nan 0.000 0.489 40 V N 0.816 120.721 119.914 -0.015 0.000 2.358 40 V HA -0.243 3.878 4.120 0.002 0.000 0.246 40 V C 2.529 178.491 176.094 -0.220 0.000 1.047 40 V CA 2.205 64.434 62.300 -0.118 0.000 1.035 40 V CB -0.921 30.843 31.823 -0.099 0.000 0.658 40 V HN 0.552 nan 8.190 nan 0.000 0.452 41 H N 0.344 119.150 119.070 -0.440 0.000 2.290 41 H HA -0.165 4.393 4.556 0.002 0.000 0.298 41 H C 2.002 177.208 175.328 -0.203 0.000 1.087 41 H CA 2.244 58.030 56.048 -0.437 0.000 1.291 41 H CB -0.306 29.061 29.762 -0.659 0.000 1.369 41 H HN 0.331 nan 8.280 nan 0.000 0.492 42 L N -0.354 120.681 121.223 -0.313 0.000 2.072 42 L HA -0.026 4.315 4.340 0.002 0.000 0.205 42 L C 2.932 179.661 176.870 -0.234 0.000 1.079 42 L CA 0.907 55.577 54.840 -0.283 0.000 0.752 42 L CB -0.688 41.339 42.059 -0.053 0.000 0.906 42 L HN 0.458 nan 8.230 nan 0.000 0.436 43 A N 0.411 123.077 122.820 -0.257 0.000 1.902 43 A HA -0.132 4.189 4.320 0.002 0.000 0.217 43 A C 2.394 179.900 177.584 -0.131 0.000 1.181 43 A CA 1.776 53.675 52.037 -0.230 0.000 0.623 43 A CB -1.267 17.518 19.000 -0.360 0.000 0.818 43 A HN 0.443 nan 8.150 nan 0.000 0.443 44 G N -0.274 108.451 108.800 -0.124 0.000 2.418 44 G HA2 -0.147 3.815 3.960 0.002 0.000 0.217 44 G HA3 -0.147 3.815 3.960 0.002 0.000 0.217 44 G C 1.560 176.469 174.900 0.016 0.000 1.158 44 G CA 0.986 46.071 45.100 -0.025 0.000 0.771 44 G HN 0.428 nan 8.290 nan 0.000 0.545 45 L N 0.644 121.809 121.223 -0.097 0.000 2.046 45 L HA -0.073 4.268 4.340 0.002 0.000 0.208 45 L C 3.429 180.282 176.870 -0.029 0.000 1.077 45 L CA 1.025 55.822 54.840 -0.070 0.000 0.747 45 L CB -0.399 41.517 42.059 -0.238 0.000 0.896 45 L HN 0.313 nan 8.230 nan 0.000 0.432 46 A N 0.244 123.025 122.820 -0.065 0.000 1.908 46 A HA -0.220 4.101 4.320 0.002 0.000 0.218 46 A C 2.313 179.899 177.584 0.004 0.000 1.181 46 A CA 1.584 53.596 52.037 -0.041 0.000 0.627 46 A CB -0.493 18.470 19.000 -0.062 0.000 0.818 46 A HN 0.362 nan 8.150 nan 0.000 0.445 47 R N -0.734 119.778 120.500 0.020 0.000 2.235 47 R HA -0.029 4.313 4.340 0.002 0.000 0.213 47 R C 2.098 178.426 176.300 0.047 0.000 1.059 47 R CA 0.625 56.741 56.100 0.026 0.000 0.997 47 R CB -0.409 29.914 30.300 0.038 0.000 0.884 47 R HN 0.519 nan 8.270 nan 0.000 0.462 48 G N -0.301 108.584 108.800 0.141 0.000 2.509 48 G HA2 -0.014 3.947 3.960 0.002 0.000 0.218 48 G HA3 -0.014 3.947 3.960 0.002 0.000 0.218 48 G C 0.977 175.988 174.900 0.185 0.000 1.124 48 G CA 0.811 46.038 45.100 0.212 0.000 0.776 48 G HN 0.483 nan 8.290 nan 0.000 0.547 49 G N -1.530 107.361 108.800 0.151 0.000 2.255 49 G HA2 0.195 4.156 3.960 0.002 0.000 0.196 49 G HA3 0.195 4.156 3.960 0.002 0.000 0.196 49 G C 0.537 175.543 174.900 0.177 0.000 0.998 49 G CA 0.223 45.426 45.100 0.172 0.000 0.656 49 G HN 1.266 nan 8.290 nan 0.000 0.490 50 A N 0.730 123.645 122.820 0.158 0.000 2.498 50 A HA 0.576 4.897 4.320 0.002 0.000 0.239 50 A C 1.784 179.380 177.584 0.020 0.000 1.068 50 A CA 1.429 53.521 52.037 0.091 0.000 0.766 50 A CB 0.416 19.413 19.000 -0.004 0.000 1.003 50 A HN 1.505 nan 8.150 nan 0.000 0.497 51 G N 0.652 109.448 108.800 -0.006 0.000 2.422 51 G HA2 0.223 4.184 3.960 0.002 0.000 0.218 51 G HA3 0.223 4.184 3.960 0.002 0.000 0.218 51 G C 0.325 175.174 174.900 -0.084 0.000 1.140 51 G CA 1.317 46.404 45.100 -0.022 0.000 0.775 51 G HN 0.884 nan 8.290 nan 0.000 0.545 52 L N -0.315 120.814 121.223 -0.157 0.000 2.436 52 L HA 0.723 5.065 4.340 0.002 0.000 0.268 52 L C -1.694 175.030 176.870 -0.244 0.000 0.974 52 L CA -1.119 53.559 54.840 -0.271 0.000 0.826 52 L CB 2.304 44.053 42.059 -0.516 0.000 1.291 52 L HN -0.049 nan 8.230 nan 0.000 0.406 53 L N 6.383 127.486 121.223 -0.200 0.000 2.316 53 L HA 0.633 4.974 4.340 0.002 0.000 0.280 53 L C -1.260 175.543 176.870 -0.112 0.000 1.006 53 L CA -0.328 54.420 54.840 -0.153 0.000 0.836 53 L CB 1.626 43.622 42.059 -0.105 0.000 1.221 53 L HN 0.401 nan 8.230 nan 0.000 0.418 54 V N 6.128 125.969 119.914 -0.123 0.000 2.364 54 V HA 0.329 4.450 4.120 0.002 0.000 0.272 54 V C 0.447 176.541 176.094 0.000 0.000 1.036 54 V CA -0.742 61.517 62.300 -0.068 0.000 0.880 54 V CB 1.348 33.119 31.823 -0.088 0.000 0.991 54 V HN 0.538 nan 8.190 nan 0.000 0.460 55 V N 5.736 125.674 119.914 0.041 0.000 2.872 55 V HA 0.029 4.150 4.120 0.002 0.000 0.307 55 V C 1.051 177.170 176.094 0.040 0.000 1.072 55 V CA -0.245 62.109 62.300 0.091 0.000 1.148 55 V CB 0.604 32.504 31.823 0.128 0.000 0.954 55 V HN 1.083 nan 8.190 nan 0.000 0.490 56 E N 3.760 124.027 120.200 0.111 0.000 2.461 56 E HA 0.184 4.535 4.350 0.002 0.000 0.263 56 E C 0.246 176.859 176.600 0.022 0.000 1.143 56 E CA -0.164 56.283 56.400 0.078 0.000 0.994 56 E CB 0.447 30.214 29.700 0.112 0.000 0.973 56 E HN 0.812 nan 8.360 nan 0.000 0.457 57 A N 2.210 125.042 122.820 0.019 0.000 2.573 57 A HA 0.073 4.394 4.320 0.002 0.000 0.250 57 A C -0.170 177.416 177.584 0.005 0.000 1.049 57 A CA 0.484 52.538 52.037 0.027 0.000 0.767 57 A CB -0.318 18.741 19.000 0.098 0.000 0.965 57 A HN 0.524 nan 8.150 nan 0.000 0.514 58 T N 2.818 117.353 114.554 -0.032 0.000 2.815 58 T HA 0.548 4.899 4.350 0.002 0.000 0.289 58 T C 0.304 174.972 174.700 -0.053 0.000 1.000 58 T CA 0.349 62.432 62.100 -0.028 0.000 0.958 58 T CB 1.272 70.080 68.868 -0.100 0.000 0.944 58 T HN 1.129 nan 8.240 nan 0.000 0.442 59 A N 2.531 125.351 122.820 0.001 0.000 2.511 59 A HA 0.333 4.655 4.320 0.002 0.000 0.242 59 A C 1.653 179.232 177.584 -0.009 0.000 1.069 59 A CA -0.373 51.652 52.037 -0.021 0.000 0.763 59 A CB 0.014 19.039 19.000 0.042 0.000 1.001 59 A HN 1.050 nan 8.150 nan 0.000 0.498 60 V N -0.334 119.481 119.914 -0.166 0.000 3.306 60 V HA 0.486 4.607 4.120 0.002 0.000 0.264 60 V C 0.741 176.820 176.094 -0.025 0.000 1.149 60 V CA 1.080 63.274 62.300 -0.176 0.000 1.143 60 V CB -1.527 29.986 31.823 -0.516 0.000 0.767 60 V HN 1.659 nan 8.190 nan 0.000 0.476 61 A N -0.733 122.032 122.820 -0.092 0.000 2.604 61 A HA 0.774 5.096 4.320 0.002 0.000 0.295 61 A C -2.433 174.690 177.584 -0.769 0.000 1.067 61 A CA -0.869 50.971 52.037 -0.328 0.000 0.683 61 A CB 0.938 19.822 19.000 -0.193 0.000 1.281 61 A HN 0.014 nan 8.150 nan 0.000 0.407 62 P HA -0.187 nan 4.420 nan 0.000 0.216 62 P C 1.218 177.810 177.300 -1.180 0.000 1.153 62 P CA 1.832 63.919 63.100 -1.689 0.000 0.858 62 P CB 0.219 31.043 31.700 -1.459 0.000 0.789 63 E N -0.027 119.626 120.200 -0.911 0.000 2.427 63 E HA -0.038 4.314 4.350 0.002 0.000 0.196 63 E C 1.688 178.066 176.600 -0.370 0.000 1.028 63 E CA 1.376 57.301 56.400 -0.791 0.000 0.864 63 E CB -1.312 28.212 29.700 -0.293 0.000 0.813 63 E HN 0.208 nan 8.360 nan 0.000 0.514 64 G N 1.070 109.469 108.800 -0.669 0.000 3.141 64 G HA2 0.016 3.977 3.960 0.002 0.000 0.218 64 G HA3 0.016 3.977 3.960 0.002 0.000 0.218 64 G C 0.618 175.310 174.900 -0.346 0.000 1.170 64 G CA -0.554 43.968 45.100 -0.962 0.000 0.769 64 G HN 0.033 nan 8.290 nan 0.000 0.546 65 R N -0.325 120.072 120.500 -0.171 0.000 2.641 65 R HA 0.309 4.650 4.340 0.002 0.000 0.269 65 R C 1.147 177.589 176.300 0.236 0.000 1.074 65 R CA -0.363 55.767 56.100 0.050 0.000 1.133 65 R CB 1.009 31.359 30.300 0.084 0.000 1.029 65 R HN 0.100 nan 8.270 nan 0.000 0.488 66 I N 0.180 120.839 120.570 0.147 0.000 2.286 66 I HA -0.138 4.033 4.170 0.002 0.000 0.245 66 I C 1.265 177.521 176.117 0.233 0.000 1.104 66 I CA 1.094 62.491 61.300 0.161 0.000 1.397 66 I CB -0.178 37.894 38.000 0.121 0.000 1.072 66 I HN 0.704 nan 8.210 nan 0.000 0.417 67 T N -3.767 110.969 114.554 0.304 0.000 2.841 67 T HA 0.356 4.707 4.350 0.002 0.000 0.296 67 T C -2.442 172.491 174.700 0.389 0.000 1.166 67 T CA -1.675 60.589 62.100 0.274 0.000 1.007 67 T CB 1.681 70.655 68.868 0.177 0.000 1.253 67 T HN -0.315 nan 8.240 nan 0.000 0.511 68 P HA 0.150 nan 4.420 nan 0.000 0.228 68 P C 1.165 178.595 177.300 0.216 0.000 1.151 68 P CA 0.798 64.079 63.100 0.300 0.000 0.770 68 P CB -0.222 31.608 31.700 0.216 0.000 0.786 69 G N -2.256 106.668 108.800 0.207 0.000 3.277 69 G HA2 0.048 4.009 3.960 0.002 0.000 0.243 69 G HA3 0.048 4.009 3.960 0.002 0.000 0.243 69 G C 0.033 175.050 174.900 0.195 0.000 1.107 69 G CA -0.019 45.200 45.100 0.197 0.000 0.771 69 G HN 0.225 nan 8.290 nan 0.000 0.544 70 C N 1.529 120.940 119.300 0.185 0.000 2.605 70 C HA 0.681 5.143 4.460 0.002 0.000 0.404 70 C C 1.314 176.373 174.990 0.115 0.000 1.284 70 C CA -0.876 58.207 59.018 0.109 0.000 2.199 70 C CB 0.390 28.191 27.740 0.102 0.000 2.647 70 C HN 0.585 nan 8.230 nan 0.000 0.604 71 A N 2.428 125.295 122.820 0.078 0.000 2.425 71 A HA 0.618 4.940 4.320 0.002 0.000 0.242 71 A C 0.512 178.136 177.584 0.066 0.000 1.077 71 A CA 0.343 52.412 52.037 0.053 0.000 0.781 71 A CB -0.001 19.058 19.000 0.098 0.000 1.020 71 A HN 1.252 nan 8.150 nan 0.000 0.494 72 G N -1.166 107.611 108.800 -0.037 0.000 2.660 72 G HA2 0.553 4.514 3.960 0.002 0.000 0.294 72 G HA3 0.553 4.514 3.960 0.002 0.000 0.294 72 G C -0.728 174.009 174.900 -0.271 0.000 1.369 72 G CA -0.291 44.670 45.100 -0.230 0.000 0.912 72 G HN 0.983 nan 8.290 nan 0.000 0.479 73 I N 0.804 121.225 120.570 -0.249 0.000 3.114 73 I HA 0.244 4.416 4.170 0.002 0.000 0.326 73 I C 0.395 176.429 176.117 -0.137 0.000 1.510 73 I CA -0.766 60.460 61.300 -0.123 0.000 0.918 73 I CB 0.115 38.091 38.000 -0.039 0.000 1.561 73 I HN 0.672 nan 8.210 nan 0.000 0.565 74 W N 1.830 122.966 121.300 -0.273 0.000 3.353 74 W HA 0.476 5.138 4.660 0.002 0.000 0.304 74 W C 0.385 176.844 176.519 -0.099 0.000 1.273 74 W CA -0.106 57.114 57.345 -0.209 0.000 1.773 74 W CB -0.853 28.444 29.460 -0.272 0.000 1.095 74 W HN 0.205 nan 8.180 nan 0.000 0.676 75 S N -1.231 114.436 115.700 -0.055 0.000 2.607 75 S HA 0.262 4.734 4.470 0.002 0.000 0.273 75 S C 0.195 174.851 174.600 0.092 0.000 1.148 75 S CA -0.452 57.813 58.200 0.107 0.000 0.833 75 S CB 1.450 64.772 63.200 0.202 0.000 1.130 75 S HN -0.083 nan 8.310 nan 0.000 0.470 76 D N 1.338 121.788 120.400 0.084 0.000 2.178 76 D HA 0.052 4.694 4.640 0.002 0.000 0.201 76 D C 2.135 178.464 176.300 0.049 0.000 0.980 76 D CA 1.786 55.827 54.000 0.068 0.000 0.842 76 D CB -0.641 40.192 40.800 0.055 0.000 0.948 76 D HN 0.701 nan 8.370 nan 0.000 0.472 77 A N 0.270 123.101 122.820 0.019 0.000 1.933 77 A HA -0.205 4.116 4.320 0.002 0.000 0.218 77 A C 1.803 179.311 177.584 -0.127 0.000 1.175 77 A CA 1.461 53.461 52.037 -0.062 0.000 0.628 77 A CB -0.806 18.129 19.000 -0.110 0.000 0.814 77 A HN 0.270 nan 8.150 nan 0.000 0.444 78 H N -0.393 118.584 119.070 -0.156 0.000 2.357 78 H HA 0.080 4.637 4.556 0.002 0.000 0.301 78 H C 2.440 177.766 175.328 -0.003 0.000 1.082 78 H CA 1.631 57.556 56.048 -0.205 0.000 1.342 78 H CB -0.129 29.392 29.762 -0.401 0.000 1.389 78 H HN 0.518 nan 8.280 nan 0.000 0.511 79 A N 0.684 123.627 122.820 0.205 0.000 1.898 79 A HA -0.219 4.103 4.320 0.002 0.000 0.216 79 A C 2.124 179.862 177.584 0.257 0.000 1.181 79 A CA 1.596 53.818 52.037 0.307 0.000 0.620 79 A CB -0.460 18.656 19.000 0.194 0.000 0.819 79 A HN 0.467 nan 8.150 nan 0.000 0.442 80 Q N -0.512 119.357 119.800 0.114 0.000 2.234 80 Q HA -0.098 4.243 4.340 0.002 0.000 0.206 80 Q C 2.241 178.261 176.000 0.033 0.000 0.980 80 Q CA 1.209 57.052 55.803 0.066 0.000 0.869 80 Q CB -0.420 28.330 28.738 0.020 0.000 0.912 80 Q HN 0.697 nan 8.270 nan 0.000 0.436 81 A N 0.053 122.851 122.820 -0.036 0.000 2.019 81 A HA -0.142 4.179 4.320 0.002 0.000 0.219 81 A C 1.512 179.003 177.584 -0.155 0.000 1.164 81 A CA 0.966 52.911 52.037 -0.152 0.000 0.644 81 A CB -0.511 18.308 19.000 -0.301 0.000 0.805 81 A HN 0.322 nan 8.150 nan 0.000 0.449 82 F N -0.791 119.188 119.950 0.048 0.000 2.558 82 F HA -0.033 4.495 4.527 0.002 0.000 0.298 82 F C 2.217 178.025 175.800 0.013 0.000 1.119 82 F CA 0.665 58.719 58.000 0.092 0.000 1.451 82 F CB -0.301 38.848 39.000 0.249 0.000 1.091 82 F HN 0.015 nan 8.300 nan 0.000 0.563 83 V N 1.233 121.238 119.914 0.151 0.000 2.255 83 V HA -0.246 3.875 4.120 0.002 0.000 0.247 83 V C -0.286 175.827 176.094 0.031 0.000 1.051 83 V CA 2.100 64.433 62.300 0.055 0.000 1.018 83 V CB -1.634 30.213 31.823 0.040 0.000 0.641 83 V HN 0.171 nan 8.190 nan 0.000 0.445 84 P HA -0.068 nan 4.420 nan 0.000 0.220 84 P C 1.805 179.203 177.300 0.163 0.000 1.148 84 P CA 1.054 64.202 63.100 0.080 0.000 0.803 84 P CB -0.042 31.680 31.700 0.037 0.000 0.782 85 V N -0.697 119.321 119.914 0.174 0.000 2.323 85 V HA -0.160 3.961 4.120 0.002 0.000 0.244 85 V C 2.465 178.555 176.094 -0.006 0.000 1.041 85 V CA 1.475 63.854 62.300 0.132 0.000 1.025 85 V CB -1.212 30.726 31.823 0.192 0.000 0.656 85 V HN -0.049 nan 8.190 nan 0.000 0.451 86 V N -0.022 119.843 119.914 -0.082 0.000 2.332 86 V HA -0.350 3.771 4.120 0.002 0.000 0.248 86 V C 2.519 178.535 176.094 -0.132 0.000 1.055 86 V CA 2.224 64.376 62.300 -0.247 0.000 1.038 86 V CB -0.735 30.803 31.823 -0.475 0.000 0.651 86 V HN 0.611 nan 8.190 nan 0.000 0.450 87 Q N -0.541 119.218 119.800 -0.068 0.000 2.167 87 Q HA -0.111 4.230 4.340 0.002 0.000 0.202 87 Q C 2.374 178.360 176.000 -0.024 0.000 0.970 87 Q CA 1.537 57.318 55.803 -0.037 0.000 0.855 87 Q CB -0.343 28.388 28.738 -0.012 0.000 0.911 87 Q HN 0.691 nan 8.270 nan 0.000 0.438 88 A N 0.863 123.673 122.820 -0.015 0.000 1.929 88 A HA -0.122 4.200 4.320 0.002 0.000 0.216 88 A C 2.008 179.551 177.584 -0.069 0.000 1.176 88 A CA 0.844 52.857 52.037 -0.040 0.000 0.628 88 A CB -0.462 18.477 19.000 -0.101 0.000 0.816 88 A HN 0.273 nan 8.150 nan 0.000 0.444 89 I N -0.469 120.054 120.570 -0.079 0.000 2.226 89 I HA -0.274 3.898 4.170 0.002 0.000 0.245 89 I C 2.443 178.532 176.117 -0.047 0.000 1.100 89 I CA 1.532 62.792 61.300 -0.068 0.000 1.374 89 I CB -0.241 37.722 38.000 -0.062 0.000 1.057 89 I HN 0.293 nan 8.210 nan 0.000 0.413 90 K N 0.858 121.230 120.400 -0.046 0.000 2.057 90 K HA -0.074 4.248 4.320 0.002 0.000 0.206 90 K C 2.261 178.848 176.600 -0.022 0.000 1.050 90 K CA 1.337 57.607 56.287 -0.030 0.000 0.935 90 K CB -0.254 32.227 32.500 -0.033 0.000 0.715 90 K HN 0.270 nan 8.250 nan 0.000 0.439 91 A N 1.397 124.202 122.820 -0.025 0.000 2.024 91 A HA -0.120 4.201 4.320 0.002 0.000 0.220 91 A C 2.180 179.751 177.584 -0.022 0.000 1.164 91 A CA 1.852 53.877 52.037 -0.020 0.000 0.643 91 A CB -0.484 18.505 19.000 -0.018 0.000 0.806 91 A HN 0.338 nan 8.150 nan 0.000 0.451 92 A N -2.149 120.654 122.820 -0.028 0.000 2.251 92 A HA 0.423 4.745 4.320 0.002 0.000 0.209 92 A C 1.797 179.375 177.584 -0.010 0.000 1.187 92 A CA 1.150 53.171 52.037 -0.026 0.000 0.823 92 A CB -0.751 18.228 19.000 -0.035 0.000 0.846 92 A HN 1.849 nan 8.150 nan 0.000 0.486 93 G N -0.997 107.800 108.800 -0.005 0.000 2.157 93 G HA2 -0.223 3.738 3.960 0.002 0.000 0.248 93 G HA3 -0.223 3.738 3.960 0.002 0.000 0.248 93 G C 0.423 175.330 174.900 0.012 0.000 0.979 93 G CA 0.570 45.676 45.100 0.009 0.000 0.650 93 G HN 0.978 nan 8.290 nan 0.000 0.529 94 S N -1.001 114.698 115.700 -0.002 0.000 2.646 94 S HA 0.646 5.117 4.470 0.002 0.000 0.276 94 S C 0.635 175.228 174.600 -0.012 0.000 1.222 94 S CA -0.202 57.991 58.200 -0.012 0.000 1.014 94 S CB 1.456 64.638 63.200 -0.030 0.000 0.991 94 S HN 0.790 nan 8.310 nan 0.000 0.533 95 V N 6.182 126.083 119.914 -0.021 0.000 2.461 95 V HA 0.362 4.483 4.120 0.002 0.000 0.275 95 V C -1.998 174.099 176.094 0.005 0.000 1.047 95 V CA -1.570 60.734 62.300 0.007 0.000 0.955 95 V CB 1.055 32.888 31.823 0.017 0.000 0.988 95 V HN 0.729 nan 8.190 nan 0.000 0.471 96 P HA 0.370 nan 4.420 nan 0.000 0.293 96 P C -0.147 177.364 177.300 0.351 0.000 1.313 96 P CA 0.121 63.298 63.100 0.128 0.000 0.787 96 P CB 1.585 33.276 31.700 -0.014 0.000 0.910 97 G N 2.980 111.962 108.800 0.303 0.000 2.600 97 G HA2 0.733 4.694 3.960 0.002 0.000 0.303 97 G HA3 0.733 4.694 3.960 0.002 0.000 0.303 97 G C -1.555 173.418 174.900 0.123 0.000 1.253 97 G CA -0.863 44.434 45.100 0.328 0.000 0.974 97 G HN 0.570 nan 8.290 nan 0.000 0.483 98 I N -0.727 119.718 120.570 -0.209 0.000 2.722 98 I HA 0.428 4.599 4.170 0.002 0.000 0.295 98 I C -0.836 175.082 176.117 -0.332 0.000 1.161 98 I CA -0.844 60.150 61.300 -0.510 0.000 1.032 98 I CB 2.435 39.613 38.000 -1.370 0.000 1.244 98 I HN 0.506 nan 8.210 nan 0.000 0.421 99 Q N 7.729 127.383 119.800 -0.244 0.000 2.303 99 Q HA 0.515 4.856 4.340 0.002 0.000 0.257 99 Q C -1.182 174.709 176.000 -0.181 0.000 0.941 99 Q CA -0.759 54.931 55.803 -0.188 0.000 0.931 99 Q CB 1.256 29.907 28.738 -0.145 0.000 1.215 99 Q HN 0.657 nan 8.270 nan 0.000 0.437 100 I N 0.575 121.049 120.570 -0.160 0.000 2.437 100 I HA 0.914 5.085 4.170 0.002 0.000 0.298 100 I C -0.792 175.357 176.117 0.055 0.000 0.984 100 I CA -0.703 60.523 61.300 -0.123 0.000 1.214 100 I CB 1.814 39.702 38.000 -0.185 0.000 1.365 100 I HN 0.598 nan 8.210 nan 0.000 0.469 101 A N 4.280 127.086 122.820 -0.024 0.000 2.594 101 A HA 0.697 5.019 4.320 0.002 0.000 0.291 101 A C -1.644 175.980 177.584 0.066 0.000 1.105 101 A CA -0.487 51.645 52.037 0.158 0.000 0.694 101 A CB 1.667 20.770 19.000 0.172 0.000 1.291 101 A HN 0.895 nan 8.150 nan 0.000 0.410 102 H N 0.815 119.989 119.070 0.173 0.000 3.096 102 H HA 0.547 5.104 4.556 0.002 0.000 0.335 102 H C 0.374 175.788 175.328 0.145 0.000 0.990 102 H CA 0.214 56.348 56.048 0.144 0.000 1.393 102 H CB 1.852 31.792 29.762 0.296 0.000 1.742 102 H HN 0.832 nan 8.280 nan 0.000 0.501 103 A N 3.656 126.512 122.820 0.060 0.000 2.209 103 A HA 0.197 4.519 4.320 0.002 0.000 0.212 103 A C 1.693 179.539 177.584 0.437 0.000 1.158 103 A CA 1.095 53.200 52.037 0.114 0.000 0.742 103 A CB -0.572 18.408 19.000 -0.033 0.000 0.790 103 A HN 1.121 nan 8.150 nan 0.000 0.472 104 G N 0.869 110.009 108.800 0.566 0.000 2.634 104 G HA2 -0.463 3.499 3.960 0.002 0.000 0.309 104 G HA3 -0.463 3.499 3.960 0.002 0.000 0.309 104 G C 1.052 176.130 174.900 0.296 0.000 1.265 104 G CA 1.250 46.595 45.100 0.407 0.000 0.998 104 G HN 1.134 nan 8.290 nan 0.000 0.551 105 R N 0.668 121.298 120.500 0.215 0.000 2.280 105 R HA 0.176 4.517 4.340 0.002 0.000 0.207 105 R C 1.859 178.296 176.300 0.229 0.000 1.043 105 R CA 1.612 57.822 56.100 0.183 0.000 1.006 105 R CB -0.178 30.206 30.300 0.140 0.000 0.885 105 R HN 0.482 nan 8.270 nan 0.000 0.467 106 K N 0.879 121.407 120.400 0.214 0.000 2.444 106 K HA 0.215 4.536 4.320 0.002 0.000 0.193 106 K C 0.489 177.184 176.600 0.158 0.000 1.024 106 K CA 0.114 56.462 56.287 0.102 0.000 1.077 106 K CB 0.689 33.255 32.500 0.110 0.000 0.833 106 K HN 0.239 nan 8.250 nan 0.000 0.517 107 A N 0.873 123.833 122.820 0.234 0.000 2.292 107 A HA 0.173 4.495 4.320 0.002 0.000 0.265 107 A C 0.752 178.302 177.584 -0.057 0.000 1.133 107 A CA 0.061 52.214 52.037 0.193 0.000 0.807 107 A CB 0.264 19.497 19.000 0.387 0.000 1.102 107 A HN 0.203 nan 8.150 nan 0.000 0.502 108 S N -2.490 112.904 115.700 -0.510 0.000 3.614 108 S HA -0.036 4.435 4.470 0.002 0.000 0.360 108 S C 0.145 174.494 174.600 -0.418 0.000 1.023 108 S CA 0.760 58.206 58.200 -1.256 0.000 1.114 108 S CB -1.815 60.447 63.200 -1.562 0.000 0.907 108 S HN 2.296 nan 8.310 nan 0.000 0.470 109 A N 1.041 123.731 122.820 -0.217 0.000 2.299 109 A HA 0.773 5.095 4.320 0.002 0.000 0.332 109 A C 0.155 177.653 177.584 -0.144 0.000 1.131 109 A CA -0.629 51.320 52.037 -0.146 0.000 0.844 109 A CB 0.571 19.463 19.000 -0.181 0.000 1.251 109 A HN 0.679 nan 8.150 nan 0.000 0.486 110 N N 0.072 118.681 118.700 -0.151 0.000 2.444 110 N HA 0.284 5.026 4.740 0.002 0.000 0.255 110 N C -0.019 175.305 175.510 -0.309 0.000 1.255 110 N CA -0.141 52.796 53.050 -0.189 0.000 0.933 110 N CB 0.415 38.801 38.487 -0.168 0.000 1.143 110 N HN 0.582 nan 8.380 nan 0.000 0.453 111 R N 1.720 121.948 120.500 -0.453 0.000 2.698 111 R HA -0.028 4.313 4.340 0.002 0.000 0.266 111 R C -1.558 174.214 176.300 -0.880 0.000 1.026 111 R CA -0.901 54.656 56.100 -0.905 0.000 1.102 111 R CB -0.005 29.576 30.300 -1.200 0.000 0.978 111 R HN 0.510 nan 8.270 nan 0.000 0.436 112 P HA -0.169 nan 4.420 nan 0.000 0.216 112 P C 0.349 177.485 177.300 -0.273 0.000 1.150 112 P CA 1.335 64.130 63.100 -0.508 0.000 0.837 112 P CB 0.005 31.475 31.700 -0.383 0.000 0.786 113 W N -0.623 120.549 121.300 -0.212 0.000 3.345 113 W HA 0.295 4.956 4.660 0.002 0.000 0.282 113 W C 0.178 176.627 176.519 -0.116 0.000 1.302 113 W CA -0.082 57.178 57.345 -0.142 0.000 1.724 113 W CB -0.956 28.428 29.460 -0.126 0.000 1.104 113 W HN -0.034 nan 8.180 nan 0.000 0.694 114 E N 0.332 120.379 120.200 -0.255 0.000 3.157 114 E HA 0.343 4.694 4.350 0.002 0.000 0.203 114 E C 1.304 177.819 176.600 -0.141 0.000 0.982 114 E CA 0.181 56.482 56.400 -0.166 0.000 1.217 114 E CB 0.560 30.118 29.700 -0.236 0.000 1.123 114 E HN 0.341 nan 8.360 nan 0.000 0.457 115 G N 1.606 110.338 108.800 -0.113 0.000 2.339 115 G HA2 -0.319 3.642 3.960 0.002 0.000 0.209 115 G HA3 -0.319 3.642 3.960 0.002 0.000 0.209 115 G C 0.597 175.440 174.900 -0.096 0.000 1.015 115 G CA 0.001 45.050 45.100 -0.085 0.000 0.635 115 G HN 0.411 nan 8.290 nan 0.000 0.499 116 D N 0.919 121.227 120.400 -0.154 0.000 3.059 116 D HA -0.139 4.503 4.640 0.002 0.000 0.213 116 D C 0.236 176.525 176.300 -0.019 0.000 1.144 116 D CA 2.370 56.287 54.000 -0.138 0.000 0.975 116 D CB -0.901 39.812 40.800 -0.144 0.000 1.125 116 D HN 0.969 nan 8.370 nan 0.000 0.412 117 D N -1.461 118.919 120.400 -0.034 0.000 2.449 117 D HA 0.329 4.970 4.640 0.002 0.000 0.250 117 D C 0.094 176.348 176.300 -0.077 0.000 1.050 117 D CA -0.565 53.430 54.000 -0.008 0.000 1.024 117 D CB 0.019 40.841 40.800 0.036 0.000 1.218 117 D HN 0.295 nan 8.370 nan 0.000 0.566 118 H N -0.693 118.320 119.070 -0.094 0.000 3.001 118 H HA 0.147 4.705 4.556 0.002 0.000 0.334 118 H C 0.225 175.471 175.328 -0.137 0.000 1.034 118 H CA -0.157 55.805 56.048 -0.143 0.000 1.420 118 H CB 0.526 30.207 29.762 -0.136 0.000 1.405 118 H HN 0.169 nan 8.280 nan 0.000 0.593 119 I N 2.835 123.390 120.570 -0.025 0.000 2.588 119 I HA 0.040 4.211 4.170 0.002 0.000 0.283 119 I C 0.805 176.875 176.117 -0.078 0.000 1.119 119 I CA -0.337 60.911 61.300 -0.086 0.000 1.419 119 I CB 0.728 38.634 38.000 -0.156 0.000 1.394 119 I HN 0.665 nan 8.210 nan 0.000 0.562 120 A N 4.921 127.709 122.820 -0.053 0.000 2.507 120 A HA 0.286 4.608 4.320 0.002 0.000 0.235 120 A C 1.419 178.971 177.584 -0.054 0.000 1.070 120 A CA 0.417 52.428 52.037 -0.044 0.000 0.768 120 A CB 0.228 19.211 19.000 -0.028 0.000 1.011 120 A HN 0.979 nan 8.150 nan 0.000 0.502 121 A N 1.215 124.005 122.820 -0.050 0.000 1.940 121 A HA -0.140 4.181 4.320 0.002 0.000 0.219 121 A C 1.210 178.775 177.584 -0.032 0.000 1.176 121 A CA 2.087 54.095 52.037 -0.050 0.000 0.631 121 A CB -0.552 18.423 19.000 -0.042 0.000 0.814 121 A HN 0.925 nan 8.150 nan 0.000 0.446 122 D N -1.112 119.275 120.400 -0.022 0.000 2.424 122 D HA 0.109 4.751 4.640 0.002 0.000 0.220 122 D C -0.186 176.111 176.300 -0.006 0.000 1.150 122 D CA -0.360 53.634 54.000 -0.011 0.000 0.831 122 D CB -0.193 40.603 40.800 -0.007 0.000 0.981 122 D HN 0.211 nan 8.370 nan 0.000 0.500 123 D N 1.034 121.427 120.400 -0.012 0.000 2.317 123 D HA 0.005 4.646 4.640 0.002 0.000 0.252 123 D C 1.265 177.572 176.300 0.011 0.000 1.174 123 D CA 0.098 54.095 54.000 -0.004 0.000 0.866 123 D CB 1.447 42.236 40.800 -0.019 0.000 1.127 123 D HN 0.102 nan 8.370 nan 0.000 0.467 124 T N 1.577 116.146 114.554 0.025 0.000 3.155 124 T HA -0.044 4.307 4.350 0.002 0.000 0.264 124 T C 1.489 176.232 174.700 0.072 0.000 1.160 124 T CA 0.606 62.731 62.100 0.043 0.000 1.075 124 T CB 0.006 68.897 68.868 0.039 0.000 0.921 124 T HN 0.370 nan 8.240 nan 0.000 0.533 125 R N 0.704 121.249 120.500 0.074 0.000 2.246 125 R HA 0.280 4.622 4.340 0.002 0.000 0.199 125 R C 1.584 178.005 176.300 0.203 0.000 0.984 125 R CA 0.248 56.428 56.100 0.132 0.000 1.015 125 R CB -0.025 30.338 30.300 0.103 0.000 0.930 125 R HN 0.479 nan 8.270 nan 0.000 0.475 126 G N 0.698 109.546 108.800 0.080 0.000 2.599 126 G HA2 0.279 4.240 3.960 0.002 0.000 0.264 126 G HA3 0.279 4.240 3.960 0.002 0.000 0.264 126 G C -0.915 174.078 174.900 0.155 0.000 1.200 126 G CA -0.514 44.559 45.100 -0.046 0.000 0.896 126 G HN 0.326 nan 8.290 nan 0.000 0.536 127 W N -0.930 120.351 121.300 -0.032 0.000 3.074 127 W HA 0.635 5.296 4.660 0.002 0.000 0.332 127 W C -0.602 175.887 176.519 -0.050 0.000 1.253 127 W CA -1.349 55.971 57.345 -0.043 0.000 1.180 127 W CB 0.970 30.398 29.460 -0.054 0.000 1.445 127 W HN 0.650 nan 8.180 nan 0.000 0.573 128 E N 1.694 122.014 120.200 0.199 0.000 2.384 128 E HA 0.294 4.646 4.350 0.002 0.000 0.266 128 E C 0.222 176.940 176.600 0.198 0.000 1.012 128 E CA 0.072 56.528 56.400 0.094 0.000 0.901 128 E CB 0.909 30.654 29.700 0.075 0.000 0.967 128 E HN 0.464 nan 8.360 nan 0.000 0.435 129 T N 2.181 116.775 114.554 0.066 0.000 2.918 129 T HA 0.572 4.923 4.350 0.002 0.000 0.283 129 T C 0.407 175.177 174.700 0.115 0.000 1.001 129 T CA -0.898 61.283 62.100 0.135 0.000 1.041 129 T CB 0.705 69.603 68.868 0.051 0.000 1.028 129 T HN 0.475 nan 8.240 nan 0.000 0.511 130 I N -1.534 119.130 120.570 0.156 0.000 2.785 130 I HA 0.941 5.112 4.170 0.002 0.000 0.302 130 I C -0.608 175.535 176.117 0.044 0.000 1.069 130 I CA -1.572 59.778 61.300 0.083 0.000 1.045 130 I CB 1.838 39.888 38.000 0.084 0.000 1.236 130 I HN 1.042 nan 8.210 nan 0.000 0.429 131 A N 4.293 127.083 122.820 -0.049 0.000 2.564 131 A HA 0.753 5.075 4.320 0.002 0.000 0.291 131 A C -2.675 174.709 177.584 -0.333 0.000 1.102 131 A CA -1.057 50.885 52.037 -0.159 0.000 0.660 131 A CB 0.698 19.642 19.000 -0.094 0.000 1.283 131 A HN 0.515 nan 8.150 nan 0.000 0.430 132 P HA 0.045 nan 4.420 nan 0.000 0.217 132 P C 0.362 177.466 177.300 -0.327 0.000 1.150 132 P CA 1.479 64.103 63.100 -0.793 0.000 0.832 132 P CB 0.210 31.237 31.700 -1.122 0.000 0.787 133 S N -1.916 113.645 115.700 -0.230 0.000 2.595 133 S HA 0.621 5.092 4.470 0.002 0.000 0.281 133 S C -0.622 173.930 174.600 -0.080 0.000 1.117 133 S CA -0.636 57.492 58.200 -0.121 0.000 0.873 133 S CB 1.861 65.004 63.200 -0.096 0.000 1.108 133 S HN 0.008 nan 8.310 nan 0.000 0.477 134 A N 2.345 125.135 122.820 -0.051 0.000 3.037 134 A HA 0.556 4.878 4.320 0.002 0.000 0.272 134 A C -0.300 177.270 177.584 -0.024 0.000 1.723 134 A CA -0.036 51.981 52.037 -0.033 0.000 1.413 134 A CB -1.118 17.866 19.000 -0.027 0.000 1.112 134 A HN 0.639 nan 8.150 nan 0.000 0.606 135 I N 1.014 121.574 120.570 -0.018 0.000 2.569 135 I HA 0.493 4.664 4.170 0.002 0.000 0.290 135 I C 0.439 176.569 176.117 0.022 0.000 1.088 135 I CA -0.693 60.604 61.300 -0.004 0.000 1.047 135 I CB 2.094 40.089 38.000 -0.008 0.000 1.237 135 I HN 0.419 nan 8.210 nan 0.000 0.421 136 A N 4.228 127.066 122.820 0.029 0.000 2.340 136 A HA 0.323 4.645 4.320 0.002 0.000 0.268 136 A C 0.540 178.185 177.584 0.101 0.000 1.100 136 A CA -0.150 51.932 52.037 0.076 0.000 0.803 136 A CB 0.223 19.261 19.000 0.062 0.000 1.043 136 A HN 0.804 nan 8.150 nan 0.000 0.488 137 F N 2.227 122.183 119.950 0.009 0.000 2.095 137 F HA 0.239 4.767 4.527 0.002 0.000 0.298 137 F C 1.364 177.148 175.800 -0.027 0.000 1.104 137 F CA 2.172 60.162 58.000 -0.017 0.000 1.232 137 F CB -0.210 38.760 39.000 -0.049 0.000 0.987 137 F HN 1.201 nan 8.300 nan 0.000 0.475 138 G N -0.779 108.088 108.800 0.111 0.000 2.526 138 G HA2 0.352 4.313 3.960 0.002 0.000 0.250 138 G HA3 0.352 4.313 3.960 0.002 0.000 0.250 138 G C 0.340 175.318 174.900 0.129 0.000 1.289 138 G CA 0.089 45.199 45.100 0.017 0.000 0.947 138 G HN 1.470 nan 8.290 nan 0.000 0.517 139 A N -1.663 121.208 122.820 0.086 0.000 5.395 139 A HA -0.244 4.077 4.320 0.002 0.000 0.324 139 A C 1.704 179.400 177.584 0.187 0.000 1.813 139 A CA 3.419 55.562 52.037 0.175 0.000 0.714 139 A CB -1.802 17.392 19.000 0.323 0.000 1.374 139 A HN 2.880 nan 8.150 nan 0.000 0.390 140 H N 0.482 119.626 119.070 0.122 0.000 2.547 140 H HA 0.431 4.988 4.556 0.002 0.000 0.266 140 H C 0.577 175.902 175.328 -0.005 0.000 0.988 140 H CA 1.197 57.269 56.048 0.039 0.000 1.147 140 H CB -0.482 29.277 29.762 -0.006 0.000 1.365 140 H HN 0.502 nan 8.280 nan 0.000 0.589 141 L N 2.958 124.000 121.223 -0.302 0.000 2.637 141 L HA 0.262 4.604 4.340 0.002 0.000 0.241 141 L C -1.936 175.066 176.870 0.221 0.000 1.398 141 L CA -1.458 53.216 54.840 -0.276 0.000 0.895 141 L CB 1.733 43.370 42.059 -0.702 0.000 1.183 141 L HN -0.025 nan 8.230 nan 0.000 0.497 142 P HA -0.045 nan 4.420 nan 0.000 0.245 142 P C 0.261 177.616 177.300 0.091 0.000 1.206 142 P CA 0.205 63.391 63.100 0.144 0.000 0.781 142 P CB 0.284 32.033 31.700 0.083 0.000 0.994 143 K N 0.688 121.116 120.400 0.047 0.000 2.447 143 K HA 0.167 4.488 4.320 0.002 0.000 0.281 143 K C -0.060 176.481 176.600 -0.098 0.000 1.031 143 K CA -0.172 55.986 56.287 -0.215 0.000 1.019 143 K CB 0.584 32.636 32.500 -0.746 0.000 0.918 143 K HN -0.118 nan 8.250 nan 0.000 0.476 144 V N 7.140 127.009 119.914 -0.075 0.000 2.439 144 V HA 0.082 4.203 4.120 0.002 0.000 0.271 144 V C -1.468 174.595 176.094 -0.053 0.000 1.040 144 V CA -1.419 60.857 62.300 -0.039 0.000 1.002 144 V CB 0.261 32.065 31.823 -0.031 0.000 1.000 144 V HN 0.764 nan 8.190 nan 0.000 0.477 145 P HA 0.206 nan 4.420 nan 0.000 0.274 145 P C -0.475 176.813 177.300 -0.019 0.000 1.246 145 P CA -0.725 62.364 63.100 -0.019 0.000 0.795 145 P CB 0.961 32.666 31.700 0.008 0.000 1.006 146 R N 1.190 121.685 120.500 -0.008 0.000 2.340 146 R HA 0.109 4.450 4.340 0.002 0.000 0.300 146 R C 0.313 176.601 176.300 -0.020 0.000 1.069 146 R CA -0.389 55.705 56.100 -0.009 0.000 0.984 146 R CB 0.309 30.612 30.300 0.004 0.000 1.003 146 R HN 0.493 nan 8.270 nan 0.000 0.459 147 E N 5.000 125.183 120.200 -0.028 0.000 2.351 147 E HA -0.033 4.318 4.350 0.002 0.000 0.266 147 E C -0.427 176.156 176.600 -0.029 0.000 1.031 147 E CA -0.045 56.330 56.400 -0.042 0.000 0.911 147 E CB 0.615 30.294 29.700 -0.034 0.000 0.986 147 E HN 0.498 nan 8.360 nan 0.000 0.446 148 M N 3.557 123.133 119.600 -0.040 0.000 2.245 148 M HA 0.056 4.538 4.480 0.002 0.000 0.344 148 M C 0.615 176.914 176.300 -0.001 0.000 1.170 148 M CA 0.020 55.311 55.300 -0.014 0.000 1.135 148 M CB 0.843 33.441 32.600 -0.003 0.000 1.574 148 M HN 0.591 nan 8.290 nan 0.000 0.452 149 T N -0.247 114.308 114.554 0.003 0.000 2.847 149 T HA 0.350 4.701 4.350 0.002 0.000 0.279 149 T C 1.141 175.841 174.700 0.000 0.000 0.984 149 T CA -0.923 61.183 62.100 0.009 0.000 0.988 149 T CB 0.789 69.664 68.868 0.012 0.000 1.040 149 T HN 0.659 nan 8.240 nan 0.000 0.528 150 L N 0.140 121.372 121.223 0.015 0.000 2.079 150 L HA -0.094 4.248 4.340 0.002 0.000 0.210 150 L C 2.314 179.183 176.870 -0.002 0.000 1.081 150 L CA 1.462 56.308 54.840 0.009 0.000 0.752 150 L CB -0.595 41.501 42.059 0.062 0.000 0.896 150 L HN 0.701 nan 8.230 nan 0.000 0.433 151 D N -0.239 120.167 120.400 0.010 0.000 2.144 151 D HA -0.167 4.474 4.640 0.002 0.000 0.200 151 D C 1.836 178.140 176.300 0.008 0.000 0.978 151 D CA 0.914 54.921 54.000 0.012 0.000 0.833 151 D CB -0.127 40.683 40.800 0.016 0.000 0.961 151 D HN 0.219 nan 8.370 nan 0.000 0.470 152 D N 0.122 120.524 120.400 0.003 0.000 2.123 152 D HA -0.128 4.514 4.640 0.002 0.000 0.196 152 D C 2.229 178.532 176.300 0.004 0.000 0.992 152 D CA 0.604 54.607 54.000 0.006 0.000 0.833 152 D CB -0.164 40.637 40.800 0.002 0.000 0.954 152 D HN 0.288 nan 8.370 nan 0.000 0.455 153 I N 1.008 121.557 120.570 -0.035 0.000 2.252 153 I HA -0.223 3.948 4.170 0.002 0.000 0.245 153 I C 2.507 178.622 176.117 -0.004 0.000 1.102 153 I CA 0.840 62.100 61.300 -0.067 0.000 1.385 153 I CB -0.158 37.654 38.000 -0.314 0.000 1.064 153 I HN -0.085 nan 8.210 nan 0.000 0.414 154 A N 0.729 123.542 122.820 -0.011 0.000 1.902 154 A HA -0.239 4.083 4.320 0.002 0.000 0.217 154 A C 2.464 180.073 177.584 0.042 0.000 1.181 154 A CA 1.486 53.534 52.037 0.017 0.000 0.623 154 A CB -0.570 18.442 19.000 0.021 0.000 0.818 154 A HN 0.272 nan 8.150 nan 0.000 0.443 155 R N 0.050 120.577 120.500 0.044 0.000 2.075 155 R HA -0.083 4.258 4.340 0.002 0.000 0.232 155 R C 1.941 178.296 176.300 0.092 0.000 1.126 155 R CA 1.922 58.055 56.100 0.054 0.000 0.963 155 R CB -0.712 29.611 30.300 0.038 0.000 0.858 155 R HN 0.353 nan 8.270 nan 0.000 0.435 156 V N 1.647 121.636 119.914 0.125 0.000 2.427 156 V HA -0.191 3.930 4.120 0.002 0.000 0.248 156 V C 2.421 178.709 176.094 0.323 0.000 1.051 156 V CA 1.727 64.163 62.300 0.226 0.000 1.048 156 V CB -0.413 31.556 31.823 0.244 0.000 0.666 156 V HN 0.321 nan 8.190 nan 0.000 0.456 157 K N -0.101 120.417 120.400 0.196 0.000 2.063 157 K HA -0.277 4.044 4.320 0.002 0.000 0.208 157 K C 2.299 178.982 176.600 0.137 0.000 1.048 157 K CA 1.854 58.194 56.287 0.089 0.000 0.928 157 K CB -0.183 32.283 32.500 -0.057 0.000 0.713 157 K HN 0.346 nan 8.250 nan 0.000 0.442 158 Q N 1.385 121.248 119.800 0.106 0.000 2.167 158 Q HA -0.146 4.195 4.340 0.002 0.000 0.202 158 Q C 1.268 177.330 176.000 0.104 0.000 0.970 158 Q CA 1.641 57.497 55.803 0.088 0.000 0.855 158 Q CB -0.040 28.736 28.738 0.063 0.000 0.911 158 Q HN 0.182 nan 8.270 nan 0.000 0.438 159 D N -0.697 119.772 120.400 0.116 0.000 2.123 159 D HA -0.153 4.488 4.640 0.002 0.000 0.196 159 D C 1.404 177.726 176.300 0.036 0.000 0.992 159 D CA 1.006 55.047 54.000 0.069 0.000 0.833 159 D CB -0.266 40.566 40.800 0.054 0.000 0.954 159 D HN 0.293 nan 8.370 nan 0.000 0.455 160 F N 0.478 120.458 119.950 0.049 0.000 2.186 160 F HA -0.157 4.372 4.527 0.002 0.000 0.299 160 F C 2.464 178.259 175.800 -0.008 0.000 1.090 160 F CA 0.553 58.563 58.000 0.017 0.000 1.307 160 F CB -0.329 38.669 39.000 -0.004 0.000 1.019 160 F HN -0.162 nan 8.300 nan 0.000 0.489 161 V N -0.195 119.827 119.914 0.180 0.000 2.295 161 V HA -0.289 3.833 4.120 0.002 0.000 0.246 161 V C 1.924 178.071 176.094 0.089 0.000 1.049 161 V CA 2.030 64.396 62.300 0.110 0.000 1.024 161 V CB -0.552 31.320 31.823 0.082 0.000 0.648 161 V HN 0.241 nan 8.190 nan 0.000 0.447 162 D N 0.454 120.899 120.400 0.076 0.000 2.144 162 D HA -0.122 4.520 4.640 0.002 0.000 0.199 162 D C 2.218 178.549 176.300 0.051 0.000 0.984 162 D CA 1.651 55.689 54.000 0.064 0.000 0.834 162 D CB -0.283 40.554 40.800 0.062 0.000 0.955 162 D HN 0.450 nan 8.370 nan 0.000 0.465 163 A N 1.024 123.855 122.820 0.018 0.000 1.898 163 A HA -0.009 4.313 4.320 0.002 0.000 0.216 163 A C 2.315 179.892 177.584 -0.012 0.000 1.181 163 A CA 2.071 54.090 52.037 -0.030 0.000 0.620 163 A CB -0.619 18.305 19.000 -0.126 0.000 0.819 163 A HN 0.234 nan 8.150 nan 0.000 0.442 164 A N -0.489 122.346 122.820 0.025 0.000 1.930 164 A HA -0.134 4.187 4.320 0.002 0.000 0.217 164 A C 2.278 179.992 177.584 0.217 0.000 1.175 164 A CA 1.540 53.621 52.037 0.074 0.000 0.627 164 A CB -0.506 18.535 19.000 0.067 0.000 0.815 164 A HN 0.445 nan 8.150 nan 0.000 0.443 165 R N 0.172 120.766 120.500 0.157 0.000 2.081 165 R HA -0.117 4.225 4.340 0.002 0.000 0.235 165 R C 2.229 178.612 176.300 0.138 0.000 1.131 165 R CA 1.758 57.945 56.100 0.145 0.000 0.960 165 R CB -0.387 29.972 30.300 0.098 0.000 0.856 165 R HN 0.580 nan 8.270 nan 0.000 0.436 166 R N -0.145 120.424 120.500 0.114 0.000 2.075 166 R HA -0.046 4.295 4.340 0.002 0.000 0.232 166 R C 2.407 178.808 176.300 0.168 0.000 1.126 166 R CA 1.375 57.545 56.100 0.117 0.000 0.963 166 R CB -0.395 29.959 30.300 0.090 0.000 0.858 166 R HN 0.255 nan 8.270 nan 0.000 0.435 167 A N 1.468 124.387 122.820 0.166 0.000 1.877 167 A HA -0.216 4.106 4.320 0.002 0.000 0.216 167 A C 2.157 180.022 177.584 0.467 0.000 1.186 167 A CA 1.475 53.671 52.037 0.265 0.000 0.620 167 A CB -0.559 18.450 19.000 0.015 0.000 0.822 167 A HN 0.258 nan 8.150 nan 0.000 0.443 168 R N -0.334 120.428 120.500 0.437 0.000 2.094 168 R HA -0.212 4.130 4.340 0.002 0.000 0.239 168 R C 1.331 177.699 176.300 0.114 0.000 1.137 168 R CA 2.173 58.396 56.100 0.205 0.000 0.943 168 R CB -0.488 29.844 30.300 0.055 0.000 0.850 168 R HN 0.434 nan 8.270 nan 0.000 0.433 169 D N -0.108 120.361 120.400 0.115 0.000 2.264 169 D HA -0.067 4.574 4.640 0.002 0.000 0.208 169 D C 1.428 177.778 176.300 0.082 0.000 0.966 169 D CA 1.207 55.250 54.000 0.072 0.000 0.864 169 D CB -0.021 40.819 40.800 0.067 0.000 0.933 169 D HN 0.425 nan 8.370 nan 0.000 0.499 170 A N -0.357 122.548 122.820 0.142 0.000 2.167 170 A HA 0.367 4.688 4.320 0.002 0.000 0.214 170 A C 1.804 179.385 177.584 -0.005 0.000 1.151 170 A CA 1.255 53.361 52.037 0.114 0.000 0.735 170 A CB -0.045 19.097 19.000 0.235 0.000 0.802 170 A HN 0.262 nan 8.150 nan 0.000 0.467 171 G N -2.327 106.488 108.800 0.027 0.000 2.179 171 G HA2 -0.191 3.770 3.960 0.002 0.000 0.220 171 G HA3 -0.191 3.770 3.960 0.002 0.000 0.220 171 G C 0.009 174.883 174.900 -0.043 0.000 0.990 171 G CA -0.192 44.883 45.100 -0.043 0.000 0.646 171 G HN 0.264 nan 8.290 nan 0.000 0.517 172 F N 1.288 121.308 119.950 0.118 0.000 2.595 172 F HA 0.380 4.908 4.527 0.002 0.000 0.359 172 F C 1.624 177.578 175.800 0.257 0.000 1.147 172 F CA 0.948 59.063 58.000 0.192 0.000 1.341 172 F CB 0.614 39.750 39.000 0.228 0.000 1.104 172 F HN 0.141 nan 8.300 nan 0.000 0.603 173 E N 1.765 122.252 120.200 0.478 0.000 2.538 173 E HA 0.024 4.375 4.350 0.002 0.000 0.207 173 E C -0.848 176.126 176.600 0.623 0.000 1.002 173 E CA 0.014 56.649 56.400 0.391 0.000 0.952 173 E CB 0.815 30.663 29.700 0.247 0.000 1.031 173 E HN 0.492 nan 8.360 nan 0.000 0.476 174 W N 1.136 122.736 121.300 0.501 0.000 3.775 174 W HA 0.413 5.074 4.660 0.002 0.000 0.315 174 W C -2.315 174.224 176.519 0.033 0.000 1.169 174 W CA -0.711 56.816 57.345 0.302 0.000 1.266 174 W CB 0.646 30.206 29.460 0.166 0.000 1.269 174 W HN -0.165 nan 8.180 nan 0.000 0.471 175 I N 4.634 125.013 120.570 -0.319 0.000 2.646 175 I HA 0.433 4.605 4.170 0.002 0.000 0.299 175 I C -0.888 174.940 176.117 -0.482 0.000 1.036 175 I CA -0.447 60.476 61.300 -0.628 0.000 1.074 175 I CB 2.138 39.241 38.000 -1.496 0.000 1.258 175 I HN 0.469 nan 8.210 nan 0.000 0.430 176 E N 7.645 127.648 120.200 -0.328 0.000 2.255 176 E HA 0.368 4.719 4.350 0.002 0.000 0.256 176 E C -1.644 174.766 176.600 -0.316 0.000 0.887 176 E CA -0.667 55.573 56.400 -0.266 0.000 0.782 176 E CB 1.432 31.085 29.700 -0.079 0.000 1.214 176 E HN 0.570 nan 8.360 nan 0.000 0.417 177 L N 4.022 124.969 121.223 -0.461 0.000 2.360 177 L HA 0.180 4.522 4.340 0.002 0.000 0.276 177 L C 0.347 176.908 176.870 -0.515 0.000 1.121 177 L CA -0.516 53.974 54.840 -0.582 0.000 0.845 177 L CB 0.328 41.706 42.059 -1.136 0.000 1.143 177 L HN 0.503 nan 8.230 nan 0.000 0.452 178 H N 4.623 123.547 119.070 -0.242 0.000 3.014 178 H HA 0.154 4.711 4.556 0.002 0.000 0.266 178 H C -0.352 175.130 175.328 0.257 0.000 1.455 178 H CA -0.727 55.331 56.048 0.017 0.000 1.402 178 H CB 0.028 29.887 29.762 0.160 0.000 1.626 178 H HN 0.302 nan 8.280 nan 0.000 0.520 179 F N 2.148 122.333 119.950 0.391 0.000 2.819 179 F HA 0.447 4.975 4.527 0.002 0.000 0.294 179 F C 0.869 176.943 175.800 0.456 0.000 1.166 179 F CA -0.332 57.876 58.000 0.347 0.000 1.374 179 F CB -0.644 38.478 39.000 0.204 0.000 0.956 179 F HN 0.463 nan 8.300 nan 0.000 0.509 180 A N -1.864 121.308 122.820 0.586 0.000 2.443 180 A HA 0.657 4.979 4.320 0.002 0.000 0.278 180 A C 0.139 177.916 177.584 0.322 0.000 1.252 180 A CA -0.574 51.695 52.037 0.386 0.000 0.816 180 A CB 0.440 19.528 19.000 0.146 0.000 1.369 180 A HN 0.548 nan 8.150 nan 0.000 0.446 181 H N -1.221 118.073 119.070 0.374 0.000 2.899 181 H HA -0.217 4.341 4.556 0.002 0.000 0.282 181 H C 1.247 176.439 175.328 -0.226 0.000 1.198 181 H CA 1.079 57.278 56.048 0.250 0.000 1.140 181 H CB -1.396 28.534 29.762 0.280 0.000 1.317 181 H HN 2.282 nan 8.280 nan 0.000 0.375 182 G N -1.768 107.081 108.800 0.081 0.000 2.179 182 G HA2 -0.376 3.585 3.960 0.002 0.000 0.260 182 G HA3 -0.376 3.585 3.960 0.002 0.000 0.260 182 G C 0.180 175.062 174.900 -0.031 0.000 0.977 182 G CA 0.588 45.712 45.100 0.040 0.000 0.641 182 G HN 0.483 nan 8.290 nan 0.000 0.533 183 Y N -0.905 119.508 120.300 0.189 0.000 2.433 183 Y HA 0.555 5.106 4.550 0.002 0.000 0.411 183 Y C 1.950 177.981 175.900 0.218 0.000 1.383 183 Y CA -0.346 57.848 58.100 0.156 0.000 1.896 183 Y CB -0.638 37.854 38.460 0.053 0.000 1.750 183 Y HN 0.054 nan 8.280 nan 0.000 0.627 184 L N 0.958 122.460 121.223 0.466 0.000 1.970 184 L HA -0.097 4.244 4.340 0.002 0.000 0.212 184 L C 2.243 179.343 176.870 0.384 0.000 1.071 184 L CA 2.515 57.563 54.840 0.346 0.000 0.751 184 L CB -1.420 40.831 42.059 0.321 0.000 0.889 184 L HN 0.808 nan 8.230 nan 0.000 0.432 185 G N -1.621 107.484 108.800 0.509 0.000 2.491 185 G HA2 -0.409 3.552 3.960 0.002 0.000 0.218 185 G HA3 -0.409 3.552 3.960 0.002 0.000 0.218 185 G C 1.509 176.657 174.900 0.413 0.000 1.180 185 G CA 1.008 46.380 45.100 0.453 0.000 0.774 185 G HN 0.507 nan 8.290 nan 0.000 0.562 186 Q N 1.205 121.278 119.800 0.454 0.000 2.096 186 Q HA -0.131 4.210 4.340 0.002 0.000 0.204 186 Q C 2.715 178.943 176.000 0.380 0.000 0.982 186 Q CA 2.270 58.346 55.803 0.455 0.000 0.850 186 Q CB -0.379 28.586 28.738 0.378 0.000 0.901 186 Q HN 0.563 nan 8.270 nan 0.000 0.422 187 S N -1.334 114.532 115.700 0.276 0.000 2.447 187 S HA -0.075 4.396 4.470 0.002 0.000 0.233 187 S C 1.655 176.288 174.600 0.055 0.000 1.006 187 S CA 0.615 58.900 58.200 0.142 0.000 0.957 187 S CB -0.511 62.722 63.200 0.054 0.000 0.773 187 S HN 0.391 nan 8.310 nan 0.000 0.507 188 F N 0.674 120.674 119.950 0.083 0.000 2.206 188 F HA 0.218 4.746 4.527 0.002 0.000 0.298 188 F C 1.924 177.805 175.800 0.135 0.000 1.090 188 F CA 0.686 58.712 58.000 0.044 0.000 1.323 188 F CB -0.419 38.566 39.000 -0.026 0.000 1.028 188 F HN 0.276 nan 8.300 nan 0.000 0.492 189 F N -0.105 119.998 119.950 0.253 0.000 2.259 189 F HA 0.060 4.589 4.527 0.002 0.000 0.298 189 F C 1.586 177.483 175.800 0.161 0.000 1.088 189 F CA 0.435 58.555 58.000 0.200 0.000 1.358 189 F CB -0.401 38.774 39.000 0.290 0.000 1.040 189 F HN -0.247 nan 8.300 nan 0.000 0.505 190 S N 0.640 116.433 115.700 0.156 0.000 2.523 190 S HA 0.075 4.546 4.470 0.002 0.000 0.275 190 S C 1.042 175.612 174.600 -0.051 0.000 1.281 190 S CA -0.462 57.763 58.200 0.042 0.000 1.050 190 S CB 0.634 63.948 63.200 0.190 0.000 0.937 190 S HN 0.431 nan 8.310 nan 0.000 0.492 191 E N 2.921 123.026 120.200 -0.158 0.000 2.338 191 E HA -0.131 4.220 4.350 0.002 0.000 0.197 191 E C 1.113 177.635 176.600 -0.131 0.000 1.007 191 E CA 0.648 56.948 56.400 -0.166 0.000 0.849 191 E CB -0.077 29.493 29.700 -0.218 0.000 0.774 191 E HN 0.703 nan 8.360 nan 0.000 0.506 192 H N 0.151 119.199 119.070 -0.038 0.000 2.387 192 H HA -0.059 4.498 4.556 0.002 0.000 0.299 192 H C 2.317 177.625 175.328 -0.035 0.000 1.090 192 H CA 1.851 57.879 56.048 -0.034 0.000 1.332 192 H CB 0.178 29.927 29.762 -0.022 0.000 1.386 192 H HN 0.203 nan 8.280 nan 0.000 0.516 193 S N -0.717 115.040 115.700 0.094 0.000 2.520 193 S HA 0.021 4.492 4.470 0.002 0.000 0.219 193 S C 0.765 175.331 174.600 -0.056 0.000 1.028 193 S CA -0.469 57.747 58.200 0.026 0.000 0.921 193 S CB 0.414 63.642 63.200 0.047 0.000 0.844 193 S HN 0.092 nan 8.310 nan 0.000 0.495 194 N N 2.184 120.845 118.700 -0.064 0.000 2.485 194 N HA 0.310 5.051 4.740 0.002 0.000 0.243 194 N C -0.380 175.090 175.510 -0.067 0.000 0.987 194 N CA -0.202 52.784 53.050 -0.106 0.000 0.940 194 N CB 0.812 39.246 38.487 -0.088 0.000 1.122 194 N HN 0.064 nan 8.380 nan 0.000 0.509 195 K N 2.713 123.075 120.400 -0.064 0.000 2.537 195 K HA 0.222 4.544 4.320 0.002 0.000 0.206 195 K C 0.197 176.781 176.600 -0.026 0.000 1.041 195 K CA -0.260 56.002 56.287 -0.041 0.000 1.090 195 K CB 0.725 33.203 32.500 -0.036 0.000 0.833 195 K HN 0.427 nan 8.250 nan 0.000 0.493 196 R N 0.842 121.332 120.500 -0.017 0.000 2.694 196 R HA 0.059 4.400 4.340 0.002 0.000 0.268 196 R C 1.095 177.408 176.300 0.023 0.000 1.061 196 R CA 0.600 56.709 56.100 0.015 0.000 1.133 196 R CB 0.208 30.547 30.300 0.064 0.000 1.020 196 R HN 0.093 nan 8.270 nan 0.000 0.475 197 T N -3.471 111.100 114.554 0.028 0.000 3.084 197 T HA 0.043 4.394 4.350 0.002 0.000 0.270 197 T C 0.133 174.851 174.700 0.030 0.000 1.008 197 T CA -0.490 61.622 62.100 0.020 0.000 0.900 197 T CB -0.136 68.739 68.868 0.011 0.000 1.084 197 T HN 0.648 nan 8.240 nan 0.000 0.538 198 D N 1.524 121.959 120.400 0.058 0.000 2.511 198 D HA 0.549 5.190 4.640 0.002 0.000 0.283 198 D C 1.668 177.991 176.300 0.039 0.000 1.198 198 D CA -0.390 53.649 54.000 0.066 0.000 1.097 198 D CB 0.162 41.031 40.800 0.115 0.000 1.160 198 D HN 0.023 nan 8.370 nan 0.000 0.589 199 A N -1.604 121.217 122.820 0.002 0.000 2.168 199 A HA -0.056 4.265 4.320 0.002 0.000 0.215 199 A C 1.028 178.406 177.584 -0.343 0.000 1.152 199 A CA 0.689 52.615 52.037 -0.185 0.000 0.716 199 A CB -0.953 17.875 19.000 -0.286 0.000 0.794 199 A HN 0.506 nan 8.150 nan 0.000 0.465 200 Y N -0.602 119.735 120.300 0.062 0.000 2.571 200 Y HA 0.444 4.995 4.550 0.002 0.000 0.275 200 Y C 1.153 177.135 175.900 0.137 0.000 1.179 200 Y CA 0.108 58.277 58.100 0.115 0.000 1.242 200 Y CB 0.379 38.958 38.460 0.197 0.000 1.126 200 Y HN 0.302 nan 8.280 nan 0.000 0.524 201 G N -2.193 106.686 108.800 0.132 0.000 2.660 201 G HA2 0.500 4.461 3.960 0.002 0.000 0.290 201 G HA3 0.500 4.461 3.960 0.002 0.000 0.290 201 G C 0.124 175.033 174.900 0.015 0.000 1.432 201 G CA -0.121 45.026 45.100 0.077 0.000 0.807 201 G HN 0.346 nan 8.290 nan 0.000 0.485 202 G N -0.057 108.739 108.800 -0.008 0.000 4.045 202 G HA2 0.039 4.001 3.960 0.002 0.000 0.261 202 G HA3 0.039 4.001 3.960 0.002 0.000 0.261 202 G C 1.155 176.040 174.900 -0.026 0.000 1.772 202 G CA 0.821 45.909 45.100 -0.020 0.000 1.264 202 G HN 2.380 nan 8.290 nan 0.000 0.609 203 S N 0.752 116.442 115.700 -0.016 0.000 2.608 203 S HA 0.547 5.018 4.470 0.002 0.000 0.261 203 S C 1.148 175.759 174.600 0.019 0.000 1.314 203 S CA 0.696 58.903 58.200 0.011 0.000 0.992 203 S CB 1.166 64.377 63.200 0.018 0.000 0.935 203 S HN 1.538 nan 8.310 nan 0.000 0.564 204 F N 1.261 121.170 119.950 -0.068 0.000 2.126 204 F HA -0.102 4.426 4.527 0.002 0.000 0.299 204 F C 1.751 177.547 175.800 -0.007 0.000 1.096 204 F CA 2.135 60.100 58.000 -0.058 0.000 1.255 204 F CB -0.634 38.348 39.000 -0.029 0.000 0.997 204 F HN 0.600 nan 8.300 nan 0.000 0.479 205 D N 0.337 120.679 120.400 -0.096 0.000 2.123 205 D HA -0.184 4.457 4.640 0.002 0.000 0.196 205 D C 1.887 178.061 176.300 -0.210 0.000 0.992 205 D CA 1.392 55.277 54.000 -0.191 0.000 0.833 205 D CB -0.503 40.271 40.800 -0.044 0.000 0.954 205 D HN 0.316 nan 8.370 nan 0.000 0.455 206 N N 0.383 118.999 118.700 -0.139 0.000 2.171 206 N HA -0.028 4.714 4.740 0.002 0.000 0.184 206 N C 1.766 177.240 175.510 -0.061 0.000 1.021 206 N CA 0.534 53.508 53.050 -0.126 0.000 0.854 206 N CB -0.113 38.326 38.487 -0.079 0.000 0.994 206 N HN 0.165 nan 8.380 nan 0.000 0.426 207 R N 0.008 120.469 120.500 -0.065 0.000 2.148 207 R HA 0.120 4.462 4.340 0.002 0.000 0.227 207 R C 1.754 178.104 176.300 0.083 0.000 1.103 207 R CA 0.910 57.019 56.100 0.014 0.000 0.983 207 R CB -0.061 30.158 30.300 -0.136 0.000 0.874 207 R HN 0.116 nan 8.270 nan 0.000 0.451 208 S N 0.343 115.982 115.700 -0.102 0.000 2.461 208 S HA -0.035 4.437 4.470 0.002 0.000 0.228 208 S C 1.664 176.195 174.600 -0.115 0.000 1.005 208 S CA 0.443 58.565 58.200 -0.129 0.000 0.942 208 S CB -0.013 62.897 63.200 -0.483 0.000 0.776 208 S HN 0.294 nan 8.310 nan 0.000 0.514 209 R N 0.599 121.045 120.500 -0.089 0.000 2.083 209 R HA -0.153 4.188 4.340 0.002 0.000 0.237 209 R C 2.051 178.350 176.300 -0.002 0.000 1.137 209 R CA 1.708 57.752 56.100 -0.094 0.000 0.951 209 R CB -0.461 29.696 30.300 -0.238 0.000 0.851 209 R HN 0.437 nan 8.270 nan 0.000 0.434 210 F N 1.065 120.967 119.950 -0.081 0.000 2.095 210 F HA -0.224 4.304 4.527 0.002 0.000 0.298 210 F C 1.651 177.210 175.800 -0.401 0.000 1.104 210 F CA 1.535 59.336 58.000 -0.332 0.000 1.232 210 F CB -0.270 38.143 39.000 -0.977 0.000 0.987 210 F HN -0.001 nan 8.300 nan 0.000 0.475 211 L N 0.030 121.007 121.223 -0.410 0.000 2.027 211 L HA -0.196 4.145 4.340 0.002 0.000 0.206 211 L C 2.427 179.075 176.870 -0.371 0.000 1.074 211 L CA 1.457 55.856 54.840 -0.736 0.000 0.745 211 L CB -1.085 40.586 42.059 -0.648 0.000 0.898 211 L HN 0.172 nan 8.230 nan 0.000 0.433 212 L N -0.958 120.161 121.223 -0.172 0.000 2.056 212 L HA -0.191 4.151 4.340 0.002 0.000 0.207 212 L C 2.556 179.355 176.870 -0.118 0.000 1.078 212 L CA 1.229 56.033 54.840 -0.060 0.000 0.749 212 L CB -0.499 41.515 42.059 -0.074 0.000 0.901 212 L HN 0.322 nan 8.230 nan 0.000 0.433 213 E N -0.588 119.506 120.200 -0.177 0.000 2.110 213 E HA -0.174 4.177 4.350 0.002 0.000 0.193 213 E C 2.100 178.561 176.600 -0.231 0.000 0.988 213 E CA 1.686 57.987 56.400 -0.164 0.000 0.804 213 E CB -0.063 29.568 29.700 -0.116 0.000 0.745 213 E HN 0.440 nan 8.360 nan 0.000 0.458 214 T N 1.648 115.954 114.554 -0.414 0.000 2.777 214 T HA -0.145 4.206 4.350 0.002 0.000 0.266 214 T C 1.843 176.406 174.700 -0.229 0.000 1.040 214 T CA 0.799 62.639 62.100 -0.434 0.000 1.141 214 T CB -0.241 68.147 68.868 -0.800 0.000 0.868 214 T HN 0.039 nan 8.240 nan 0.000 0.444 215 L N 1.627 122.753 121.223 -0.161 0.000 2.012 215 L HA -0.019 4.322 4.340 0.002 0.000 0.210 215 L C 2.627 179.441 176.870 -0.094 0.000 1.073 215 L CA 2.102 56.866 54.840 -0.126 0.000 0.748 215 L CB -1.095 40.901 42.059 -0.104 0.000 0.891 215 L HN 0.230 nan 8.230 nan 0.000 0.431 216 A N -0.622 122.154 122.820 -0.074 0.000 1.908 216 A HA -0.124 4.197 4.320 0.002 0.000 0.218 216 A C 2.435 179.997 177.584 -0.036 0.000 1.181 216 A CA 1.987 53.997 52.037 -0.045 0.000 0.627 216 A CB -1.202 17.774 19.000 -0.040 0.000 0.818 216 A HN 0.611 nan 8.150 nan 0.000 0.445 217 A N -0.776 122.012 122.820 -0.053 0.000 1.898 217 A HA 0.041 4.362 4.320 0.002 0.000 0.216 217 A C 2.218 179.803 177.584 0.001 0.000 1.181 217 A CA 1.652 53.673 52.037 -0.026 0.000 0.620 217 A CB -0.858 18.119 19.000 -0.038 0.000 0.819 217 A HN 0.371 nan 8.150 nan 0.000 0.442 218 V N 0.059 119.964 119.914 -0.015 0.000 2.407 218 V HA -0.224 3.897 4.120 0.002 0.000 0.248 218 V C 2.609 178.737 176.094 0.057 0.000 1.055 218 V CA 2.133 64.441 62.300 0.014 0.000 1.049 218 V CB -0.754 31.036 31.823 -0.055 0.000 0.662 218 V HN 0.637 nan 8.190 nan 0.000 0.455 219 R N 0.020 120.536 120.500 0.027 0.000 2.193 219 R HA -0.189 4.152 4.340 0.002 0.000 0.229 219 R C 2.114 178.459 176.300 0.074 0.000 1.110 219 R CA 1.552 57.690 56.100 0.064 0.000 0.988 219 R CB -0.109 30.204 30.300 0.021 0.000 0.871 219 R HN 0.642 nan 8.270 nan 0.000 0.458 220 E N -0.342 119.888 120.200 0.051 0.000 2.204 220 E HA -0.133 4.219 4.350 0.002 0.000 0.194 220 E C 1.717 178.349 176.600 0.053 0.000 0.989 220 E CA 1.452 57.876 56.400 0.041 0.000 0.824 220 E CB 0.285 30.001 29.700 0.028 0.000 0.756 220 E HN 0.368 nan 8.360 nan 0.000 0.477 221 V N -3.134 116.834 119.914 0.090 0.000 3.570 221 V HA 0.154 4.276 4.120 0.002 0.000 0.257 221 V C 0.608 176.786 176.094 0.139 0.000 1.272 221 V CA -0.591 61.767 62.300 0.096 0.000 1.079 221 V CB -0.134 31.752 31.823 0.105 0.000 0.829 221 V HN 0.200 nan 8.190 nan 0.000 0.454 222 W N 3.330 124.615 121.300 -0.025 0.000 2.311 222 W HA 0.457 5.118 4.660 0.002 0.000 0.310 222 W C -2.712 173.786 176.519 -0.035 0.000 1.274 222 W CA -2.270 55.056 57.345 -0.033 0.000 1.215 222 W CB 1.235 30.661 29.460 -0.057 0.000 1.227 222 W HN 0.159 nan 8.180 nan 0.000 0.523 223 P HA -0.111 nan 4.420 nan 0.000 0.265 223 P C 0.458 177.581 177.300 -0.294 0.000 1.187 223 P CA 0.639 63.481 63.100 -0.431 0.000 0.766 223 P CB 0.740 32.110 31.700 -0.550 0.000 0.820 224 E N 2.507 122.623 120.200 -0.141 0.000 2.204 224 E HA -0.166 4.186 4.350 0.002 0.000 0.194 224 E C 1.277 177.834 176.600 -0.071 0.000 0.989 224 E CA 1.135 57.495 56.400 -0.066 0.000 0.824 224 E CB -0.385 29.288 29.700 -0.045 0.000 0.756 224 E HN 0.425 nan 8.360 nan 0.000 0.477 225 N N 0.103 118.736 118.700 -0.111 0.000 2.322 225 N HA -0.018 4.723 4.740 0.002 0.000 0.194 225 N C -0.317 175.144 175.510 -0.081 0.000 1.126 225 N CA 0.120 53.120 53.050 -0.084 0.000 0.845 225 N CB 0.078 38.517 38.487 -0.080 0.000 0.976 225 N HN 0.107 nan 8.380 nan 0.000 0.475 226 L N 0.691 121.847 121.223 -0.112 0.000 2.341 226 L HA 0.514 4.855 4.340 0.002 0.000 0.278 226 L C -2.521 174.457 176.870 0.180 0.000 1.005 226 L CA -2.351 52.482 54.840 -0.013 0.000 0.818 226 L CB 2.167 44.102 42.059 -0.207 0.000 1.259 226 L HN -0.276 nan 8.230 nan 0.000 0.418 227 P HA -0.024 nan 4.420 nan 0.000 0.262 227 P C -0.906 176.273 177.300 -0.201 0.000 1.182 227 P CA -0.021 62.945 63.100 -0.223 0.000 0.761 227 P CB 0.475 31.723 31.700 -0.753 0.000 0.795 228 L N 5.276 126.363 121.223 -0.227 0.000 2.298 228 L HA 0.620 4.962 4.340 0.002 0.000 0.284 228 L C -0.021 176.593 176.870 -0.427 0.000 1.013 228 L CA 0.159 54.785 54.840 -0.357 0.000 0.824 228 L CB 0.831 42.798 42.059 -0.153 0.000 1.221 228 L HN 0.459 nan 8.230 nan 0.000 0.418 229 T N 2.155 116.396 114.554 -0.521 0.000 2.864 229 T HA 1.003 5.354 4.350 0.002 0.000 0.289 229 T C -0.687 173.771 174.700 -0.403 0.000 1.082 229 T CA -0.250 61.608 62.100 -0.404 0.000 1.009 229 T CB 1.758 70.415 68.868 -0.352 0.000 1.234 229 T HN 1.003 nan 8.240 nan 0.000 0.526 230 A N 0.630 123.259 122.820 -0.319 0.000 2.587 230 A HA 0.845 5.167 4.320 0.002 0.000 0.293 230 A C -0.843 176.661 177.584 -0.133 0.000 1.087 230 A CA -1.061 50.754 52.037 -0.371 0.000 0.692 230 A CB 1.712 20.343 19.000 -0.615 0.000 1.291 230 A HN 1.019 nan 8.150 nan 0.000 0.407 231 R N 0.337 120.790 120.500 -0.079 0.000 2.460 231 R HA 0.699 5.040 4.340 0.002 0.000 0.303 231 R C -1.979 174.503 176.300 0.303 0.000 0.968 231 R CA -0.356 55.791 56.100 0.078 0.000 0.889 231 R CB 1.039 31.320 30.300 -0.032 0.000 1.123 231 R HN 0.713 nan 8.270 nan 0.000 0.455 232 F N 2.171 122.201 119.950 0.135 0.000 2.605 232 F HA 0.439 4.968 4.527 0.002 0.000 0.320 232 F C -0.679 175.223 175.800 0.170 0.000 1.159 232 F CA -0.935 57.191 58.000 0.210 0.000 0.999 232 F CB 1.911 41.075 39.000 0.273 0.000 1.258 232 F HN 0.601 nan 8.300 nan 0.000 0.464 233 G N 4.024 112.686 108.800 -0.230 0.000 2.360 233 G HA2 0.451 4.412 3.960 0.002 0.000 0.279 233 G HA3 0.451 4.412 3.960 0.002 0.000 0.279 233 G C 0.537 175.016 174.900 -0.702 0.000 1.189 233 G CA -0.010 44.922 45.100 -0.281 0.000 0.941 233 G HN 1.148 nan 8.290 nan 0.000 0.445 234 V N 1.172 120.811 119.914 -0.459 0.000 3.608 234 V HA 0.483 4.604 4.120 0.002 0.000 0.269 234 V C 0.675 176.625 176.094 -0.240 0.000 1.245 234 V CA 0.721 62.774 62.300 -0.411 0.000 1.138 234 V CB -1.491 30.210 31.823 -0.203 0.000 0.841 234 V HN 0.738 nan 8.190 nan 0.000 0.451 235 L N -4.072 117.005 121.223 -0.242 0.000 2.671 235 L HA 0.698 5.040 4.340 0.002 0.000 0.259 235 L C 0.000 176.714 176.870 -0.260 0.000 1.021 235 L CA -0.608 54.079 54.840 -0.255 0.000 0.871 235 L CB 1.819 43.644 42.059 -0.389 0.000 1.472 235 L HN -0.176 nan 8.230 nan 0.000 0.410 236 E N 0.288 120.352 120.200 -0.227 0.000 2.490 236 E HA 0.112 4.464 4.350 0.002 0.000 0.209 236 E C -0.841 175.716 176.600 -0.073 0.000 0.971 236 E CA -0.034 56.285 56.400 -0.135 0.000 0.988 236 E CB 0.381 30.070 29.700 -0.019 0.000 1.029 236 E HN 0.661 nan 8.360 nan 0.000 0.496 237 Y N 2.131 122.354 120.300 -0.130 0.000 3.078 237 Y HA -0.209 4.343 4.550 0.002 0.000 0.202 237 Y C 0.295 176.135 175.900 -0.100 0.000 1.322 237 Y CA 0.830 58.851 58.100 -0.131 0.000 1.118 237 Y CB -1.921 36.414 38.460 -0.208 0.000 1.343 237 Y HN 0.169 nan 8.280 nan 0.000 0.499 238 D N -1.523 118.888 120.400 0.018 0.000 2.535 238 D HA 0.391 5.032 4.640 0.002 0.000 0.229 238 D C 1.553 177.873 176.300 0.033 0.000 1.238 238 D CA 0.307 54.323 54.000 0.027 0.000 0.824 238 D CB 0.260 41.100 40.800 0.068 0.000 1.045 238 D HN 0.561 nan 8.370 nan 0.000 0.500 239 G N 1.256 110.065 108.800 0.015 0.000 2.179 239 G HA2 -0.355 3.607 3.960 0.002 0.000 0.260 239 G HA3 -0.355 3.607 3.960 0.002 0.000 0.260 239 G C 0.781 175.677 174.900 -0.006 0.000 0.977 239 G CA 0.052 45.156 45.100 0.006 0.000 0.641 239 G HN 0.446 nan 8.290 nan 0.000 0.533 240 R N 0.060 120.553 120.500 -0.013 0.000 2.700 240 R HA 0.252 4.593 4.340 0.002 0.000 0.399 240 R C 0.646 176.913 176.300 -0.055 0.000 1.115 240 R CA -0.154 55.929 56.100 -0.029 0.000 1.058 240 R CB 0.274 30.558 30.300 -0.026 0.000 1.389 240 R HN 0.166 nan 8.270 nan 0.000 0.582 241 D N 1.180 121.531 120.400 -0.080 0.000 2.144 241 D HA -0.173 4.468 4.640 0.002 0.000 0.200 241 D C 1.670 177.912 176.300 -0.098 0.000 0.978 241 D CA 1.253 55.172 54.000 -0.135 0.000 0.833 241 D CB 0.382 41.062 40.800 -0.200 0.000 0.961 241 D HN 0.189 nan 8.370 nan 0.000 0.470 242 E N 1.005 121.165 120.200 -0.066 0.000 2.047 242 E HA -0.176 4.175 4.350 0.002 0.000 0.191 242 E C 1.953 178.526 176.600 -0.045 0.000 0.987 242 E CA 1.299 57.668 56.400 -0.051 0.000 0.799 242 E CB -0.068 29.609 29.700 -0.038 0.000 0.752 242 E HN 0.156 nan 8.360 nan 0.000 0.449 243 Q N -0.669 119.104 119.800 -0.045 0.000 2.119 243 Q HA -0.049 4.292 4.340 0.002 0.000 0.201 243 Q C 2.225 178.209 176.000 -0.025 0.000 0.972 243 Q CA 2.076 57.854 55.803 -0.043 0.000 0.847 243 Q CB -0.498 28.211 28.738 -0.049 0.000 0.903 243 Q HN 0.228 nan 8.270 nan 0.000 0.433 244 T N 0.928 115.469 114.554 -0.022 0.000 2.777 244 T HA -0.081 4.270 4.350 0.002 0.000 0.266 244 T C 1.612 176.340 174.700 0.047 0.000 1.040 244 T CA 0.819 62.934 62.100 0.024 0.000 1.141 244 T CB -0.257 68.609 68.868 -0.003 0.000 0.868 244 T HN 0.088 nan 8.240 nan 0.000 0.444 245 L N 1.451 122.664 121.223 -0.017 0.000 2.083 245 L HA 0.011 4.353 4.340 0.002 0.000 0.209 245 L C 2.443 179.321 176.870 0.013 0.000 1.083 245 L CA 1.756 56.585 54.840 -0.019 0.000 0.752 245 L CB -0.630 41.396 42.059 -0.056 0.000 0.899 245 L HN 0.287 nan 8.230 nan 0.000 0.433 246 E N -0.600 119.598 120.200 -0.004 0.000 2.051 246 E HA -0.250 4.101 4.350 0.002 0.000 0.192 246 E C 1.937 178.528 176.600 -0.016 0.000 0.991 246 E CA 1.570 57.956 56.400 -0.023 0.000 0.799 246 E CB -0.083 29.584 29.700 -0.054 0.000 0.748 246 E HN 0.635 nan 8.360 nan 0.000 0.449 247 E N -0.016 120.205 120.200 0.035 0.000 2.106 247 E HA -0.110 4.241 4.350 0.002 0.000 0.192 247 E C 2.272 179.115 176.600 0.406 0.000 0.984 247 E CA 1.099 57.574 56.400 0.124 0.000 0.806 247 E CB 0.046 29.907 29.700 0.268 0.000 0.750 247 E HN 0.162 nan 8.360 nan 0.000 0.458 248 S N 1.036 116.954 115.700 0.363 0.000 2.382 248 S HA -0.113 4.358 4.470 0.002 0.000 0.228 248 S C 2.056 176.785 174.600 0.214 0.000 1.027 248 S CA 0.781 59.172 58.200 0.318 0.000 0.991 248 S CB -0.137 63.139 63.200 0.127 0.000 0.823 248 S HN 0.195 nan 8.310 nan 0.000 0.469 249 I N 1.191 121.833 120.570 0.120 0.000 2.252 249 I HA -0.149 4.022 4.170 0.002 0.000 0.245 249 I C 2.674 178.817 176.117 0.043 0.000 1.102 249 I CA 1.122 62.465 61.300 0.071 0.000 1.385 249 I CB -0.269 37.753 38.000 0.036 0.000 1.064 249 I HN 0.212 nan 8.210 nan 0.000 0.414 250 E N 1.251 121.470 120.200 0.032 0.000 2.058 250 E HA -0.261 4.090 4.350 0.002 0.000 0.194 250 E C 2.010 178.665 176.600 0.092 0.000 0.997 250 E CA 1.420 57.832 56.400 0.020 0.000 0.801 250 E CB -0.310 29.298 29.700 -0.152 0.000 0.746 250 E HN 0.281 nan 8.360 nan 0.000 0.450 251 L N 0.117 121.415 121.223 0.126 0.000 2.083 251 L HA -0.018 4.324 4.340 0.002 0.000 0.209 251 L C 2.140 178.642 176.870 -0.614 0.000 1.083 251 L CA 2.113 56.785 54.840 -0.280 0.000 0.752 251 L CB -0.987 40.708 42.059 -0.606 0.000 0.899 251 L HN 0.194 nan 8.230 nan 0.000 0.433 252 A N -0.421 122.227 122.820 -0.287 0.000 1.933 252 A HA -0.233 4.088 4.320 0.002 0.000 0.218 252 A C 2.389 179.964 177.584 -0.015 0.000 1.175 252 A CA 1.783 53.771 52.037 -0.082 0.000 0.628 252 A CB -0.527 18.538 19.000 0.107 0.000 0.814 252 A HN 0.507 nan 8.150 nan 0.000 0.444 253 R N -0.640 119.847 120.500 -0.021 0.000 2.091 253 R HA -0.128 4.213 4.340 0.002 0.000 0.238 253 R C 2.412 178.712 176.300 0.000 0.000 1.136 253 R CA 1.702 57.807 56.100 0.008 0.000 0.959 253 R CB -0.315 29.992 30.300 0.011 0.000 0.856 253 R HN 0.521 nan 8.270 nan 0.000 0.437 254 R N -0.445 120.020 120.500 -0.060 0.000 2.092 254 R HA -0.065 4.276 4.340 0.002 0.000 0.231 254 R C 2.044 178.366 176.300 0.037 0.000 1.119 254 R CA 1.054 57.126 56.100 -0.047 0.000 0.970 254 R CB -0.246 29.990 30.300 -0.106 0.000 0.864 254 R HN 0.121 nan 8.270 nan 0.000 0.440 255 F N 1.699 121.620 119.950 -0.048 0.000 2.102 255 F HA -0.171 4.357 4.527 0.002 0.000 0.298 255 F C 2.419 178.195 175.800 -0.040 0.000 1.105 255 F CA 1.012 58.975 58.000 -0.063 0.000 1.239 255 F CB -0.773 38.181 39.000 -0.077 0.000 0.991 255 F HN -0.051 nan 8.300 nan 0.000 0.474 256 K N 0.326 120.834 120.400 0.181 0.000 2.032 256 K HA -0.171 4.151 4.320 0.002 0.000 0.209 256 K C 2.200 178.838 176.600 0.063 0.000 1.048 256 K CA 1.428 57.773 56.287 0.096 0.000 0.927 256 K CB -0.337 32.208 32.500 0.075 0.000 0.712 256 K HN 0.163 nan 8.250 nan 0.000 0.441 257 A N 0.412 123.266 122.820 0.056 0.000 2.019 257 A HA -0.056 4.265 4.320 0.002 0.000 0.219 257 A C 1.978 179.583 177.584 0.035 0.000 1.164 257 A CA 1.676 53.735 52.037 0.037 0.000 0.644 257 A CB -0.595 18.422 19.000 0.028 0.000 0.805 257 A HN 0.528 nan 8.150 nan 0.000 0.449 258 G N -2.189 106.643 108.800 0.053 0.000 3.314 258 G HA2 0.406 4.367 3.960 0.002 0.000 0.238 258 G HA3 0.406 4.367 3.960 0.002 0.000 0.238 258 G C 0.982 175.895 174.900 0.021 0.000 1.184 258 G CA 0.410 45.533 45.100 0.040 0.000 0.806 258 G HN 1.565 nan 8.290 nan 0.000 0.536 259 G N -0.700 108.111 108.800 0.019 0.000 2.159 259 G HA2 -0.222 3.740 3.960 0.002 0.000 0.227 259 G HA3 -0.222 3.740 3.960 0.002 0.000 0.227 259 G C 0.246 175.130 174.900 -0.025 0.000 0.986 259 G CA 0.021 45.120 45.100 -0.000 0.000 0.651 259 G HN 0.570 nan 8.290 nan 0.000 0.523 260 L N 1.503 122.711 121.223 -0.026 0.000 2.410 260 L HA 0.444 4.785 4.340 0.002 0.000 0.273 260 L C 1.066 177.904 176.870 -0.054 0.000 1.144 260 L CA 0.474 55.268 54.840 -0.076 0.000 0.863 260 L CB 0.628 42.647 42.059 -0.066 0.000 1.140 260 L HN 0.159 nan 8.230 nan 0.000 0.463 261 D N 4.220 124.556 120.400 -0.106 0.000 2.301 261 D HA 0.132 4.774 4.640 0.002 0.000 0.206 261 D C -0.024 176.248 176.300 -0.047 0.000 0.979 261 D CA 0.690 54.640 54.000 -0.084 0.000 0.874 261 D CB 0.636 41.351 40.800 -0.142 0.000 0.968 261 D HN 0.384 nan 8.370 nan 0.000 0.510 262 L N 0.203 121.382 121.223 -0.072 0.000 2.591 262 L HA 0.354 4.695 4.340 0.002 0.000 0.257 262 L C -2.247 174.628 176.870 0.007 0.000 0.935 262 L CA -0.823 54.023 54.840 0.010 0.000 0.873 262 L CB 2.266 44.365 42.059 0.068 0.000 1.397 262 L HN -0.254 nan 8.230 nan 0.000 0.414 263 L N 2.977 124.241 121.223 0.068 0.000 2.325 263 L HA 0.582 4.923 4.340 0.002 0.000 0.281 263 L C -0.411 176.523 176.870 0.107 0.000 1.004 263 L CA 0.249 55.145 54.840 0.094 0.000 0.823 263 L CB 1.881 44.037 42.059 0.162 0.000 1.236 263 L HN 0.614 nan 8.230 nan 0.000 0.415 264 S N 4.304 120.067 115.700 0.104 0.000 2.416 264 S HA 0.472 4.943 4.470 0.002 0.000 0.287 264 S C -0.461 174.217 174.600 0.130 0.000 1.139 264 S CA -0.575 57.689 58.200 0.106 0.000 1.058 264 S CB 0.173 63.427 63.200 0.091 0.000 0.967 264 S HN 0.446 nan 8.310 nan 0.000 0.495 265 V N 5.388 125.372 119.914 0.115 0.000 2.406 265 V HA 0.495 4.616 4.120 0.002 0.000 0.272 265 V C 0.564 176.729 176.094 0.117 0.000 1.043 265 V CA -0.126 62.239 62.300 0.108 0.000 0.915 265 V CB 1.086 32.954 31.823 0.074 0.000 0.988 265 V HN 0.869 nan 8.190 nan 0.000 0.466 266 S N 3.493 119.263 115.700 0.117 0.000 2.851 266 S HA 0.774 5.245 4.470 0.002 0.000 0.317 266 S C -0.739 173.923 174.600 0.103 0.000 1.144 266 S CA -0.473 57.850 58.200 0.206 0.000 0.862 266 S CB 2.068 65.496 63.200 0.379 0.000 1.259 266 S HN 0.373 nan 8.310 nan 0.000 0.564 267 V N 1.708 121.716 119.914 0.155 0.000 2.617 267 V HA 0.446 4.567 4.120 0.002 0.000 0.298 267 V C 1.603 177.630 176.094 -0.112 0.000 1.048 267 V CA 0.223 62.443 62.300 -0.134 0.000 0.964 267 V CB 1.264 32.826 31.823 -0.435 0.000 1.004 267 V HN 1.097 nan 8.190 nan 0.000 0.466 268 G N 2.116 110.810 108.800 -0.177 0.000 2.408 268 G HA2 -0.143 3.819 3.960 0.002 0.000 0.217 268 G HA3 -0.143 3.819 3.960 0.002 0.000 0.217 268 G C 0.642 175.650 174.900 0.180 0.000 1.150 268 G CA 0.387 45.502 45.100 0.024 0.000 0.776 268 G HN 0.739 nan 8.290 nan 0.000 0.542 269 F N 0.343 120.399 119.950 0.176 0.000 3.097 269 F HA -0.234 4.295 4.527 0.002 0.000 0.278 269 F C 1.854 177.795 175.800 0.234 0.000 0.917 269 F CA 0.854 58.966 58.000 0.186 0.000 0.962 269 F CB -2.460 36.624 39.000 0.141 0.000 0.964 269 F HN 0.117 nan 8.300 nan 0.000 0.668 270 T N -0.376 114.347 114.554 0.282 0.000 2.904 270 T HA 0.144 4.495 4.350 0.002 0.000 0.267 270 T C 0.924 175.776 174.700 0.254 0.000 1.059 270 T CA 1.475 63.738 62.100 0.272 0.000 1.137 270 T CB -0.033 68.957 68.868 0.203 0.000 0.879 270 T HN 0.532 nan 8.240 nan 0.000 0.467 271 I N -2.228 118.360 120.570 0.031 0.000 2.934 271 I HA 0.474 4.645 4.170 0.002 0.000 0.306 271 I C -2.376 173.522 176.117 -0.365 0.000 1.110 271 I CA -2.684 58.368 61.300 -0.413 0.000 1.019 271 I CB 2.100 39.800 38.000 -0.501 0.000 1.227 271 I HN -0.360 nan 8.210 nan 0.000 0.434 272 P HA -0.038 nan 4.420 nan 0.000 0.226 272 P C 0.143 177.386 177.300 -0.094 0.000 1.161 272 P CA 0.822 63.799 63.100 -0.205 0.000 0.804 272 P CB 0.061 31.606 31.700 -0.257 0.000 0.829 273 D N 1.706 122.003 120.400 -0.171 0.000 2.545 273 D HA 0.123 4.765 4.640 0.002 0.000 0.227 273 D C -0.040 176.213 176.300 -0.078 0.000 1.150 273 D CA 0.240 54.178 54.000 -0.102 0.000 1.046 273 D CB -0.520 40.212 40.800 -0.113 0.000 1.098 273 D HN 0.160 nan 8.370 nan 0.000 0.502 274 T N -0.374 114.160 114.554 -0.033 0.000 2.838 274 T HA 0.482 4.833 4.350 0.002 0.000 0.292 274 T C -0.469 174.214 174.700 -0.028 0.000 1.113 274 T CA -1.123 60.963 62.100 -0.024 0.000 1.008 274 T CB 1.531 70.389 68.868 -0.017 0.000 1.259 274 T HN 0.014 nan 8.240 nan 0.000 0.520 275 N N 0.546 119.212 118.700 -0.057 0.000 2.727 275 N HA 0.370 5.111 4.740 0.002 0.000 0.252 275 N C -1.260 174.049 175.510 -0.336 0.000 1.283 275 N CA -0.621 52.352 53.050 -0.128 0.000 0.782 275 N CB -0.061 38.379 38.487 -0.079 0.000 1.199 275 N HN 0.707 nan 8.380 nan 0.000 0.520 276 I N 2.411 122.643 120.570 -0.564 0.000 2.416 276 I HA 0.283 4.454 4.170 0.002 0.000 0.288 276 I C -1.546 173.767 176.117 -1.339 0.000 1.051 276 I CA -1.649 58.918 61.300 -1.223 0.000 1.375 276 I CB 1.186 38.264 38.000 -1.537 0.000 1.407 276 I HN 0.263 nan 8.210 nan 0.000 0.516 277 P HA 0.054 nan 4.420 nan 0.000 0.225 277 P C -0.986 175.642 177.300 -1.121 0.000 1.813 277 P CA -0.428 62.133 63.100 -0.898 0.000 1.013 277 P CB -0.495 30.848 31.700 -0.596 0.000 1.961 278 W N 2.140 122.869 121.300 -0.953 0.000 2.314 278 W HA 0.378 5.039 4.660 0.002 0.000 0.339 278 W C 1.150 177.380 176.519 -0.482 0.000 1.293 278 W CA 0.828 57.558 57.345 -1.024 0.000 1.288 278 W CB 0.489 29.626 29.460 -0.538 0.000 1.186 278 W HN 0.388 nan 8.180 nan 0.000 0.566 279 G N 2.875 111.700 108.800 0.040 0.000 2.387 279 G HA2 0.341 4.302 3.960 0.002 0.000 0.294 279 G HA3 0.341 4.302 3.960 0.002 0.000 0.294 279 G C -3.145 172.049 174.900 0.491 0.000 1.509 279 G CA -1.428 43.834 45.100 0.270 0.000 0.806 279 G HN 0.119 nan 8.290 nan 0.000 0.546 280 P HA 0.344 nan 4.420 nan 0.000 0.262 280 P C 0.764 178.106 177.300 0.070 0.000 1.199 280 P CA 1.443 64.644 63.100 0.167 0.000 0.763 280 P CB 1.107 32.843 31.700 0.061 0.000 0.790 281 A N 3.721 126.465 122.820 -0.127 0.000 2.860 281 A HA -0.264 4.058 4.320 0.002 0.000 0.267 281 A C 0.910 178.486 177.584 -0.013 0.000 1.421 281 A CA 1.080 52.824 52.037 -0.487 0.000 0.831 281 A CB -3.049 15.574 19.000 -0.628 0.000 1.041 281 A HN 0.637 nan 8.150 nan 0.000 0.623 282 F N -2.394 117.602 119.950 0.075 0.000 2.333 282 F HA 0.020 4.548 4.527 0.002 0.000 0.300 282 F C 1.729 177.595 175.800 0.109 0.000 1.083 282 F CA 1.378 59.418 58.000 0.068 0.000 1.395 282 F CB -0.343 38.660 39.000 0.004 0.000 1.056 282 F HN 0.254 nan 8.300 nan 0.000 0.529 283 M N 1.533 120.756 119.600 -0.628 0.000 2.562 283 M HA 0.106 4.587 4.480 0.002 0.000 0.257 283 M C 2.378 178.665 176.300 -0.022 0.000 1.099 283 M CA 0.872 55.929 55.300 -0.405 0.000 1.099 283 M CB -1.876 30.528 32.600 -0.327 0.000 1.427 283 M HN 0.435 nan 8.290 nan 0.000 0.489 284 G N 2.154 111.023 108.800 0.114 0.000 2.553 284 G HA2 -0.230 3.732 3.960 0.002 0.000 0.218 284 G HA3 -0.230 3.732 3.960 0.002 0.000 0.218 284 G C -0.989 173.974 174.900 0.106 0.000 1.195 284 G CA 0.685 45.897 45.100 0.186 0.000 0.779 284 G HN 0.334 nan 8.290 nan 0.000 0.577 285 P HA 0.002 nan 4.420 nan 0.000 0.218 285 P C 1.921 179.251 177.300 0.050 0.000 1.149 285 P CA 0.537 63.679 63.100 0.070 0.000 0.817 285 P CB 0.045 31.791 31.700 0.077 0.000 0.785 286 I N -0.288 120.305 120.570 0.038 0.000 2.202 286 I HA -0.155 4.016 4.170 0.002 0.000 0.242 286 I C 2.236 178.364 176.117 0.020 0.000 1.091 286 I CA 1.545 62.854 61.300 0.015 0.000 1.368 286 I CB -1.797 36.198 38.000 -0.009 0.000 1.058 286 I HN -0.087 nan 8.210 nan 0.000 0.410 287 A N 0.378 123.215 122.820 0.028 0.000 1.908 287 A HA -0.265 4.057 4.320 0.002 0.000 0.218 287 A C 2.359 179.967 177.584 0.040 0.000 1.181 287 A CA 1.994 54.053 52.037 0.037 0.000 0.627 287 A CB -0.753 18.270 19.000 0.038 0.000 0.818 287 A HN 0.531 nan 8.150 nan 0.000 0.445 288 E N -0.486 119.741 120.200 0.044 0.000 2.110 288 E HA -0.231 4.121 4.350 0.002 0.000 0.193 288 E C 2.271 178.893 176.600 0.038 0.000 0.988 288 E CA 1.154 57.579 56.400 0.043 0.000 0.804 288 E CB -0.136 29.593 29.700 0.049 0.000 0.745 288 E HN 0.625 nan 8.360 nan 0.000 0.458 289 R N 0.111 120.631 120.500 0.034 0.000 2.092 289 R HA -0.099 4.242 4.340 0.002 0.000 0.231 289 R C 2.219 178.538 176.300 0.031 0.000 1.119 289 R CA 1.236 57.352 56.100 0.028 0.000 0.970 289 R CB -0.040 30.272 30.300 0.019 0.000 0.864 289 R HN 0.084 nan 8.270 nan 0.000 0.440 290 V N 1.153 121.089 119.914 0.037 0.000 2.307 290 V HA -0.223 3.899 4.120 0.002 0.000 0.245 290 V C 2.585 178.712 176.094 0.055 0.000 1.045 290 V CA 2.098 64.428 62.300 0.050 0.000 1.024 290 V CB -0.679 31.183 31.823 0.066 0.000 0.651 290 V HN 0.406 nan 8.190 nan 0.000 0.449 291 R N 0.073 120.604 120.500 0.052 0.000 2.083 291 R HA -0.218 4.123 4.340 0.002 0.000 0.237 291 R C 2.549 178.876 176.300 0.046 0.000 1.137 291 R CA 2.130 58.261 56.100 0.051 0.000 0.951 291 R CB -0.270 30.057 30.300 0.044 0.000 0.851 291 R HN 0.443 nan 8.270 nan 0.000 0.434 292 R N 0.413 120.937 120.500 0.039 0.000 2.062 292 R HA -0.100 4.241 4.340 0.002 0.000 0.229 292 R C 1.648 177.967 176.300 0.031 0.000 1.128 292 R CA 1.809 57.930 56.100 0.034 0.000 0.960 292 R CB -0.007 30.311 30.300 0.030 0.000 0.855 292 R HN 0.346 nan 8.270 nan 0.000 0.432 293 E N -0.764 119.454 120.200 0.030 0.000 2.299 293 E HA -0.029 4.323 4.350 0.002 0.000 0.193 293 E C 1.211 177.828 176.600 0.027 0.000 0.998 293 E CA 0.728 57.142 56.400 0.024 0.000 0.851 293 E CB 0.402 30.113 29.700 0.018 0.000 0.795 293 E HN 0.417 nan 8.360 nan 0.000 0.492 294 A N 0.792 123.635 122.820 0.039 0.000 2.390 294 A HA 0.093 4.415 4.320 0.002 0.000 0.232 294 A C 0.342 177.954 177.584 0.046 0.000 1.233 294 A CA -0.228 51.836 52.037 0.044 0.000 0.907 294 A CB 0.110 19.146 19.000 0.060 0.000 0.967 294 A HN 0.023 nan 8.150 nan 0.000 0.512 295 K N -1.347 119.080 120.400 0.044 0.000 3.257 295 K HA -0.190 4.131 4.320 0.002 0.000 0.270 295 K C -0.956 175.676 176.600 0.054 0.000 0.984 295 K CA 0.680 56.994 56.287 0.045 0.000 0.739 295 K CB -1.593 30.929 32.500 0.037 0.000 1.351 295 K HN 0.430 nan 8.250 nan 0.000 0.463 296 L N -0.349 120.912 121.223 0.063 0.000 2.436 296 L HA 0.509 4.851 4.340 0.002 0.000 0.268 296 L C -2.601 174.316 176.870 0.079 0.000 0.974 296 L CA -1.965 52.919 54.840 0.073 0.000 0.826 296 L CB 1.825 43.935 42.059 0.084 0.000 1.291 296 L HN -0.199 nan 8.230 nan 0.000 0.406 297 P HA 0.284 nan 4.420 nan 0.000 0.269 297 P C -1.381 175.970 177.300 0.085 0.000 1.209 297 P CA -0.101 63.061 63.100 0.104 0.000 0.776 297 P CB 0.807 32.617 31.700 0.184 0.000 0.876 298 V N -1.207 118.738 119.914 0.052 0.000 3.078 298 V HA 0.853 4.974 4.120 0.002 0.000 0.311 298 V C -0.610 175.487 176.094 0.005 0.000 1.138 298 V CA -0.529 61.799 62.300 0.047 0.000 1.007 298 V CB 2.009 33.861 31.823 0.047 0.000 1.045 298 V HN 0.535 nan 8.190 nan 0.000 0.432 299 T N 0.958 115.524 114.554 0.020 0.000 2.907 299 T HA 0.832 5.183 4.350 0.002 0.000 0.290 299 T C -0.571 174.120 174.700 -0.015 0.000 1.066 299 T CA 0.333 62.412 62.100 -0.035 0.000 1.012 299 T CB 1.917 70.771 68.868 -0.023 0.000 1.184 299 T HN 1.497 nan 8.240 nan 0.000 0.522 300 S N -0.245 115.412 115.700 -0.072 0.000 2.727 300 S HA 0.895 5.366 4.470 0.002 0.000 0.278 300 S C -1.706 172.911 174.600 0.028 0.000 1.186 300 S CA 0.035 58.247 58.200 0.021 0.000 0.836 300 S CB 1.096 64.332 63.200 0.059 0.000 1.186 300 S HN 1.290 nan 8.310 nan 0.000 0.499 301 A N 0.504 123.479 122.820 0.257 0.000 2.588 301 A HA 0.828 5.149 4.320 0.002 0.000 0.290 301 A C -1.706 176.273 177.584 0.657 0.000 1.136 301 A CA -0.149 52.144 52.037 0.426 0.000 0.681 301 A CB 1.074 20.262 19.000 0.312 0.000 1.282 301 A HN 1.672 nan 8.150 nan 0.000 0.421 302 W N -0.378 121.161 121.300 0.398 0.000 3.072 302 W HA 0.091 4.752 4.660 0.002 0.000 0.454 302 W C 0.600 177.190 176.519 0.118 0.000 1.795 302 W CA 0.956 58.483 57.345 0.303 0.000 0.467 302 W CB -1.059 28.675 29.460 0.456 0.000 2.864 302 W HN 2.660 nan 8.180 nan 0.000 0.437 303 G N 2.693 111.361 108.800 -0.220 0.000 2.131 303 G HA2 -0.346 3.616 3.960 0.002 0.000 0.223 303 G HA3 -0.346 3.616 3.960 0.002 0.000 0.223 303 G C 0.056 174.833 174.900 -0.204 0.000 0.990 303 G CA 0.258 45.216 45.100 -0.237 0.000 0.671 303 G HN 0.537 nan 8.290 nan 0.000 0.521 304 F N 1.266 121.213 119.950 -0.005 0.000 2.773 304 F HA 0.334 4.862 4.527 0.002 0.000 0.304 304 F C 2.353 178.151 175.800 -0.003 0.000 1.129 304 F CA 0.677 58.695 58.000 0.030 0.000 1.378 304 F CB 0.393 39.409 39.000 0.026 0.000 1.095 304 F HN 0.214 nan 8.300 nan 0.000 0.565 305 G N -0.505 108.302 108.800 0.012 0.000 2.625 305 G HA2 -0.115 3.847 3.960 0.002 0.000 0.214 305 G HA3 -0.115 3.847 3.960 0.002 0.000 0.214 305 G C 0.648 175.831 174.900 0.471 0.000 1.132 305 G CA 0.367 45.446 45.100 -0.036 0.000 0.782 305 G HN 0.167 nan 8.290 nan 0.000 0.538 306 T N 2.230 116.990 114.554 0.343 0.000 2.727 306 T HA 0.327 4.678 4.350 0.002 0.000 0.298 306 T C -1.510 173.428 174.700 0.397 0.000 0.942 306 T CA -1.041 61.271 62.100 0.353 0.000 0.997 306 T CB 2.012 70.994 68.868 0.191 0.000 0.917 306 T HN -0.078 nan 8.240 nan 0.000 0.487 307 P HA -0.124 nan 4.420 nan 0.000 0.216 307 P C 1.446 178.867 177.300 0.202 0.000 1.150 307 P CA 0.982 64.249 63.100 0.279 0.000 0.843 307 P CB 0.229 31.908 31.700 -0.036 0.000 0.787 308 Q N -1.170 118.719 119.800 0.147 0.000 2.224 308 Q HA -0.063 4.279 4.340 0.002 0.000 0.203 308 Q C 2.132 178.224 176.000 0.154 0.000 0.970 308 Q CA 1.020 56.894 55.803 0.119 0.000 0.865 308 Q CB -0.896 27.892 28.738 0.082 0.000 0.922 308 Q HN 0.259 nan 8.270 nan 0.000 0.445 309 L N -0.537 120.800 121.223 0.191 0.000 2.072 309 L HA -0.119 4.222 4.340 0.002 0.000 0.205 309 L C 2.171 179.256 176.870 0.358 0.000 1.079 309 L CA 0.906 55.873 54.840 0.212 0.000 0.752 309 L CB -0.458 41.678 42.059 0.128 0.000 0.906 309 L HN 0.279 nan 8.230 nan 0.000 0.436 310 A N -0.103 122.964 122.820 0.412 0.000 1.877 310 A HA -0.285 4.036 4.320 0.002 0.000 0.216 310 A C 2.108 179.818 177.584 0.209 0.000 1.186 310 A CA 2.019 54.281 52.037 0.375 0.000 0.620 310 A CB -0.513 18.710 19.000 0.373 0.000 0.822 310 A HN 0.414 nan 8.150 nan 0.000 0.443 311 E N 0.199 120.506 120.200 0.180 0.000 2.077 311 E HA -0.072 4.279 4.350 0.002 0.000 0.193 311 E C 1.985 178.653 176.600 0.114 0.000 0.989 311 E CA 1.642 58.116 56.400 0.122 0.000 0.800 311 E CB -0.450 29.316 29.700 0.110 0.000 0.746 311 E HN 0.473 nan 8.360 nan 0.000 0.452 312 A N 0.776 123.678 122.820 0.136 0.000 1.902 312 A HA -0.022 4.300 4.320 0.002 0.000 0.217 312 A C 2.459 180.120 177.584 0.129 0.000 1.181 312 A CA 1.989 54.099 52.037 0.121 0.000 0.623 312 A CB -1.065 18.009 19.000 0.124 0.000 0.818 312 A HN 0.396 nan 8.150 nan 0.000 0.443 313 A N -0.246 122.682 122.820 0.180 0.000 1.908 313 A HA -0.085 4.236 4.320 0.002 0.000 0.218 313 A C 2.182 179.810 177.584 0.074 0.000 1.181 313 A CA 1.625 53.761 52.037 0.165 0.000 0.627 313 A CB -0.609 18.536 19.000 0.241 0.000 0.818 313 A HN 0.478 nan 8.150 nan 0.000 0.445 314 L N -1.016 120.237 121.223 0.049 0.000 2.072 314 L HA -0.211 4.131 4.340 0.002 0.000 0.205 314 L C 2.882 179.773 176.870 0.034 0.000 1.079 314 L CA 1.383 56.233 54.840 0.015 0.000 0.752 314 L CB -0.539 41.521 42.059 0.001 0.000 0.906 314 L HN 0.466 nan 8.230 nan 0.000 0.436 315 Q N -0.201 119.630 119.800 0.052 0.000 2.167 315 Q HA -0.135 4.206 4.340 0.002 0.000 0.202 315 Q C 2.133 178.163 176.000 0.050 0.000 0.970 315 Q CA 1.427 57.261 55.803 0.051 0.000 0.855 315 Q CB -0.184 28.588 28.738 0.056 0.000 0.911 315 Q HN 0.540 nan 8.270 nan 0.000 0.438 316 A N 0.967 123.821 122.820 0.057 0.000 2.238 316 A HA -0.041 4.281 4.320 0.002 0.000 0.208 316 A C 0.160 177.773 177.584 0.049 0.000 1.177 316 A CA -0.033 52.038 52.037 0.056 0.000 0.804 316 A CB -0.011 19.030 19.000 0.068 0.000 0.823 316 A HN 0.387 nan 8.150 nan 0.000 0.482 317 N N -0.537 118.188 118.700 0.041 0.000 2.721 317 N HA -0.224 4.518 4.740 0.002 0.000 0.249 317 N C 0.597 176.127 175.510 0.033 0.000 1.072 317 N CA 1.318 54.387 53.050 0.033 0.000 0.710 317 N CB -1.392 37.116 38.487 0.036 0.000 0.993 317 N HN 0.810 nan 8.380 nan 0.000 0.547 318 Q N -0.500 119.324 119.800 0.039 0.000 2.331 318 Q HA 0.207 4.548 4.340 0.002 0.000 0.203 318 Q C 0.502 176.510 176.000 0.014 0.000 0.944 318 Q CA 0.808 56.637 55.803 0.044 0.000 0.892 318 Q CB 0.540 29.325 28.738 0.079 0.000 0.983 318 Q HN 0.437 nan 8.270 nan 0.000 0.482 319 L N -0.601 120.611 121.223 -0.018 0.000 2.424 319 L HA 0.284 4.625 4.340 0.002 0.000 0.258 319 L C -0.181 176.630 176.870 -0.097 0.000 0.995 319 L CA -0.577 54.219 54.840 -0.073 0.000 0.821 319 L CB 2.181 44.149 42.059 -0.152 0.000 1.383 319 L HN -0.060 nan 8.230 nan 0.000 0.410 320 D N 0.932 121.245 120.400 -0.145 0.000 2.379 320 D HA 0.263 4.904 4.640 0.002 0.000 0.218 320 D C 0.010 176.069 176.300 -0.400 0.000 1.006 320 D CA 0.818 54.660 54.000 -0.265 0.000 0.893 320 D CB 1.315 41.940 40.800 -0.290 0.000 1.019 320 D HN 0.184 nan 8.370 nan 0.000 0.503 321 L N 1.142 122.182 121.223 -0.304 0.000 2.370 321 L HA 0.420 4.762 4.340 0.002 0.000 0.266 321 L C -0.735 175.994 176.870 -0.236 0.000 1.002 321 L CA -0.913 53.767 54.840 -0.266 0.000 0.818 321 L CB 3.165 45.096 42.059 -0.213 0.000 1.325 321 L HN -0.333 nan 8.230 nan 0.000 0.418 322 V N 1.040 120.816 119.914 -0.231 0.000 2.370 322 V HA 0.319 4.441 4.120 0.002 0.000 0.283 322 V C 0.012 175.974 176.094 -0.221 0.000 1.023 322 V CA -0.437 61.672 62.300 -0.318 0.000 0.857 322 V CB 1.524 33.178 31.823 -0.282 0.000 0.985 322 V HN 0.765 nan 8.190 nan 0.000 0.443 323 S N 4.053 119.620 115.700 -0.222 0.000 2.489 323 S HA 0.565 5.036 4.470 0.002 0.000 0.277 323 S C -0.223 174.343 174.600 -0.055 0.000 1.230 323 S CA -0.450 57.689 58.200 -0.100 0.000 1.053 323 S CB 1.352 64.532 63.200 -0.034 0.000 0.955 323 S HN 0.487 nan 8.310 nan 0.000 0.488 324 V N 3.550 123.422 119.914 -0.070 0.000 2.380 324 V HA 0.503 4.625 4.120 0.002 0.000 0.286 324 V C 0.898 176.983 176.094 -0.016 0.000 1.015 324 V CA -0.483 61.725 62.300 -0.153 0.000 0.834 324 V CB 1.147 32.651 31.823 -0.531 0.000 1.009 324 V HN 0.989 nan 8.190 nan 0.000 0.428 325 G N 3.561 112.340 108.800 -0.035 0.000 2.680 325 G HA2 0.053 4.014 3.960 0.002 0.000 0.224 325 G HA3 0.053 4.014 3.960 0.002 0.000 0.224 325 G C 1.208 176.108 174.900 0.001 0.000 1.454 325 G CA -0.058 45.057 45.100 0.025 0.000 0.900 325 G HN 0.536 nan 8.290 nan 0.000 0.570 326 R N 0.667 121.128 120.500 -0.066 0.000 2.127 326 R HA -0.033 4.308 4.340 0.002 0.000 0.238 326 R C 2.811 179.043 176.300 -0.114 0.000 1.134 326 R CA 1.168 57.221 56.100 -0.078 0.000 0.975 326 R CB -0.346 29.872 30.300 -0.138 0.000 0.865 326 R HN 0.344 nan 8.270 nan 0.000 0.447 327 A N 0.428 123.106 122.820 -0.237 0.000 2.024 327 A HA -0.180 4.141 4.320 0.002 0.000 0.220 327 A C 1.533 178.957 177.584 -0.265 0.000 1.164 327 A CA 1.295 53.132 52.037 -0.332 0.000 0.643 327 A CB -0.499 18.074 19.000 -0.712 0.000 0.806 327 A HN 0.334 nan 8.150 nan 0.000 0.451 328 H N -0.770 118.225 119.070 -0.126 0.000 2.535 328 H HA 0.144 4.701 4.556 0.002 0.000 0.273 328 H C 1.822 177.177 175.328 0.045 0.000 0.983 328 H CA 1.035 57.085 56.048 0.003 0.000 1.238 328 H CB 0.099 29.859 29.762 -0.004 0.000 1.412 328 H HN 0.458 nan 8.280 nan 0.000 0.562 329 L N -0.289 121.016 121.223 0.136 0.000 2.131 329 L HA 0.003 4.344 4.340 0.002 0.000 0.206 329 L C 2.824 179.732 176.870 0.064 0.000 1.087 329 L CA 0.779 55.696 54.840 0.128 0.000 0.767 329 L CB -0.340 41.785 42.059 0.109 0.000 0.917 329 L HN 0.134 nan 8.230 nan 0.000 0.441 330 A N -0.782 122.046 122.820 0.013 0.000 1.873 330 A HA -0.161 4.160 4.320 0.002 0.000 0.215 330 A C 0.801 178.377 177.584 -0.012 0.000 1.186 330 A CA 1.536 53.562 52.037 -0.018 0.000 0.616 330 A CB -0.142 18.826 19.000 -0.055 0.000 0.823 330 A HN 0.379 nan 8.150 nan 0.000 0.442 331 D N -2.567 117.841 120.400 0.013 0.000 2.386 331 D HA 0.368 5.009 4.640 0.002 0.000 0.247 331 D C -2.583 173.794 176.300 0.128 0.000 1.336 331 D CA -1.856 52.165 54.000 0.035 0.000 0.976 331 D CB 1.468 42.285 40.800 0.030 0.000 1.257 331 D HN -0.111 nan 8.370 nan 0.000 0.570 332 P HA -0.035 nan 4.420 nan 0.000 0.228 332 P C 0.270 177.841 177.300 0.451 0.000 1.151 332 P CA 0.967 64.208 63.100 0.235 0.000 0.770 332 P CB 0.008 31.747 31.700 0.065 0.000 0.786 333 H N -3.727 115.489 119.070 0.245 0.000 2.524 333 H HA 0.088 4.646 4.556 0.002 0.000 0.299 333 H C 1.159 176.690 175.328 0.339 0.000 1.074 333 H CA -0.623 55.597 56.048 0.287 0.000 1.115 333 H CB -0.363 29.537 29.762 0.231 0.000 1.522 333 H HN 0.170 nan 8.280 nan 0.000 0.543 334 W N 1.876 123.295 121.300 0.199 0.000 2.325 334 W HA -0.315 4.346 4.660 0.002 0.000 0.299 334 W C 2.265 178.933 176.519 0.248 0.000 1.215 334 W CA 2.019 59.409 57.345 0.076 0.000 1.244 334 W CB -0.048 29.177 29.460 -0.392 0.000 1.140 334 W HN 0.253 nan 8.180 nan 0.000 0.523 335 A N -0.716 122.393 122.820 0.482 0.000 1.978 335 A HA -0.279 4.043 4.320 0.002 0.000 0.220 335 A C 1.788 179.530 177.584 0.263 0.000 1.170 335 A CA 1.749 54.001 52.037 0.357 0.000 0.636 335 A CB -1.514 17.769 19.000 0.471 0.000 0.810 335 A HN 0.612 nan 8.150 nan 0.000 0.448 336 Y N -0.581 119.794 120.300 0.125 0.000 2.200 336 Y HA -0.172 4.379 4.550 0.002 0.000 0.290 336 Y C 1.898 177.775 175.900 -0.037 0.000 1.137 336 Y CA 1.498 59.616 58.100 0.031 0.000 1.163 336 Y CB -0.779 37.706 38.460 0.041 0.000 0.988 336 Y HN 0.342 nan 8.280 nan 0.000 0.518 337 F N 0.880 120.581 119.950 -0.414 0.000 2.134 337 F HA -0.137 4.391 4.527 0.002 0.000 0.299 337 F C 2.277 177.743 175.800 -0.557 0.000 1.097 337 F CA 1.886 59.550 58.000 -0.560 0.000 1.264 337 F CB -0.877 37.866 39.000 -0.427 0.000 1.001 337 F HN 0.073 nan 8.300 nan 0.000 0.479 338 A N 0.572 122.941 122.820 -0.753 0.000 1.898 338 A HA -0.018 4.303 4.320 0.002 0.000 0.216 338 A C 2.429 179.816 177.584 -0.329 0.000 1.181 338 A CA 1.680 53.298 52.037 -0.698 0.000 0.620 338 A CB -1.588 16.906 19.000 -0.843 0.000 0.819 338 A HN 0.535 nan 8.150 nan 0.000 0.442 339 A N -0.266 122.400 122.820 -0.256 0.000 1.933 339 A HA -0.168 4.153 4.320 0.002 0.000 0.218 339 A C 2.125 179.456 177.584 -0.421 0.000 1.175 339 A CA 1.843 53.553 52.037 -0.545 0.000 0.628 339 A CB -0.392 18.201 19.000 -0.678 0.000 0.814 339 A HN 0.546 nan 8.150 nan 0.000 0.444 340 K N -0.623 119.499 120.400 -0.465 0.000 2.025 340 K HA -0.106 4.215 4.320 0.002 0.000 0.207 340 K C 1.971 178.335 176.600 -0.392 0.000 1.049 340 K CA 1.231 57.267 56.287 -0.419 0.000 0.933 340 K CB -0.161 32.026 32.500 -0.522 0.000 0.714 340 K HN 0.355 nan 8.250 nan 0.000 0.438 341 E N 0.857 120.729 120.200 -0.546 0.000 2.160 341 E HA -0.162 4.189 4.350 0.002 0.000 0.195 341 E C 1.736 178.184 176.600 -0.252 0.000 0.991 341 E CA 1.076 57.205 56.400 -0.452 0.000 0.810 341 E CB 0.016 29.339 29.700 -0.628 0.000 0.742 341 E HN 0.324 nan 8.360 nan 0.000 0.466 342 L N -0.572 120.522 121.223 -0.215 0.000 2.628 342 L HA 0.179 4.520 4.340 0.002 0.000 0.229 342 L C 1.095 177.903 176.870 -0.104 0.000 1.137 342 L CA 0.280 55.058 54.840 -0.103 0.000 0.909 342 L CB 0.076 42.133 42.059 -0.004 0.000 1.137 342 L HN 0.158 nan 8.230 nan 0.000 0.470 343 G N 0.716 109.429 108.800 -0.146 0.000 2.176 343 G HA2 -0.250 3.711 3.960 0.002 0.000 0.252 343 G HA3 -0.250 3.711 3.960 0.002 0.000 0.252 343 G C 0.242 175.070 174.900 -0.120 0.000 1.024 343 G CA 0.076 45.106 45.100 -0.116 0.000 0.755 343 G HN 0.116 nan 8.290 nan 0.000 0.507 344 V N 1.043 120.844 119.914 -0.187 0.000 2.673 344 V HA 0.134 4.255 4.120 0.002 0.000 0.303 344 V C 1.137 177.148 176.094 -0.139 0.000 1.046 344 V CA -0.212 61.962 62.300 -0.210 0.000 1.126 344 V CB 1.076 32.630 31.823 -0.448 0.000 0.934 344 V HN 0.413 nan 8.190 nan 0.000 0.487 345 E N 4.866 125.011 120.200 -0.091 0.000 2.452 345 E HA 0.014 4.365 4.350 0.002 0.000 0.261 345 E C 0.389 176.970 176.600 -0.031 0.000 0.987 345 E CA -0.085 56.284 56.400 -0.052 0.000 0.926 345 E CB 0.214 29.889 29.700 -0.041 0.000 0.934 345 E HN 0.435 nan 8.360 nan 0.000 0.452 346 K N 0.791 121.199 120.400 0.014 0.000 3.278 346 K HA -0.249 4.072 4.320 0.002 0.000 0.270 346 K C 0.703 177.383 176.600 0.133 0.000 0.955 346 K CA 0.802 57.156 56.287 0.111 0.000 0.723 346 K CB -1.891 30.660 32.500 0.086 0.000 1.382 346 K HN 0.665 nan 8.250 nan 0.000 0.461 347 A N 0.469 123.321 122.820 0.054 0.000 1.972 347 A HA -0.199 4.122 4.320 0.002 0.000 0.219 347 A C 2.180 179.867 177.584 0.172 0.000 1.169 347 A CA 2.170 54.218 52.037 0.018 0.000 0.635 347 A CB -0.331 18.631 19.000 -0.064 0.000 0.810 347 A HN 0.687 nan 8.150 nan 0.000 0.446 348 S N -1.822 113.977 115.700 0.166 0.000 2.419 348 S HA -0.190 4.281 4.470 0.002 0.000 0.233 348 S C 1.317 175.746 174.600 -0.285 0.000 1.016 348 S CA 0.992 59.128 58.200 -0.106 0.000 0.974 348 S CB -0.762 62.296 63.200 -0.237 0.000 0.786 348 S HN 0.688 nan 8.310 nan 0.000 0.492 349 W N 2.273 123.545 121.300 -0.047 0.000 3.377 349 W HA 0.305 4.966 4.660 0.002 0.000 0.277 349 W C 1.915 178.419 176.519 -0.026 0.000 1.311 349 W CA 0.195 57.511 57.345 -0.049 0.000 1.703 349 W CB -0.740 28.692 29.460 -0.046 0.000 1.095 349 W HN 0.231 nan 8.180 nan 0.000 0.715 350 T N 0.716 115.336 114.554 0.111 0.000 2.881 350 T HA -0.054 4.298 4.350 0.002 0.000 0.270 350 T C 0.944 175.672 174.700 0.046 0.000 1.068 350 T CA 0.823 62.994 62.100 0.118 0.000 1.131 350 T CB -0.118 68.850 68.868 0.167 0.000 0.871 350 T HN -0.103 nan 8.240 nan 0.000 0.479 351 L N 0.711 121.877 121.223 -0.094 0.000 2.358 351 L HA 0.443 4.784 4.340 0.002 0.000 0.268 351 L C -2.370 174.384 176.870 -0.194 0.000 1.032 351 L CA -2.854 51.879 54.840 -0.179 0.000 0.805 351 L CB 0.774 42.656 42.059 -0.296 0.000 1.253 351 L HN -0.185 nan 8.230 nan 0.000 0.452 352 P HA 0.071 nan 4.420 nan 0.000 0.272 352 P C 0.056 177.161 177.300 -0.325 0.000 1.230 352 P CA -0.208 62.758 63.100 -0.223 0.000 0.788 352 P CB 0.716 32.235 31.700 -0.301 0.000 0.949 353 A N 3.861 126.562 122.820 -0.197 0.000 1.927 353 A HA -0.165 4.156 4.320 0.002 0.000 0.220 353 A C -0.505 176.940 177.584 -0.233 0.000 1.185 353 A CA 2.091 53.978 52.037 -0.250 0.000 0.639 353 A CB -2.584 16.460 19.000 0.074 0.000 0.820 353 A HN 0.517 nan 8.150 nan 0.000 0.451 354 P HA -0.077 nan 4.420 nan 0.000 0.231 354 P C 0.418 177.895 177.300 0.295 0.000 1.158 354 P CA 0.936 64.066 63.100 0.051 0.000 0.763 354 P CB -0.017 31.642 31.700 -0.069 0.000 0.805 355 Y N -1.301 118.978 120.300 -0.035 0.000 2.472 355 Y HA 0.367 4.918 4.550 0.002 0.000 0.288 355 Y C 2.488 178.235 175.900 -0.254 0.000 1.154 355 Y CA -0.324 57.741 58.100 -0.057 0.000 1.238 355 Y CB -1.457 36.893 38.460 -0.183 0.000 1.287 355 Y HN -0.173 nan 8.280 nan 0.000 0.524 356 A N 0.108 122.664 122.820 -0.440 0.000 1.908 356 A HA -0.305 4.016 4.320 0.002 0.000 0.218 356 A C 1.998 179.053 177.584 -0.882 0.000 1.181 356 A CA 2.372 53.839 52.037 -0.949 0.000 0.627 356 A CB -1.278 16.629 19.000 -1.821 0.000 0.818 356 A HN 0.608 nan 8.150 nan 0.000 0.445 357 H N -2.007 116.530 119.070 -0.887 0.000 2.426 357 H HA -0.204 4.353 4.556 0.002 0.000 0.298 357 H C 1.445 176.397 175.328 -0.626 0.000 1.107 357 H CA 2.239 57.866 56.048 -0.701 0.000 1.298 357 H CB -0.235 28.978 29.762 -0.915 0.000 1.377 357 H HN 0.724 nan 8.280 nan 0.000 0.519 358 W N -0.750 120.468 121.300 -0.136 0.000 3.211 358 W HA 0.247 4.908 4.660 0.002 0.000 0.292 358 W C 1.188 177.634 176.519 -0.120 0.000 1.268 358 W CA -0.149 57.128 57.345 -0.112 0.000 1.702 358 W CB 0.461 29.909 29.460 -0.021 0.000 1.092 358 W HN 0.084 nan 8.180 nan 0.000 0.643 359 L N 0.030 121.244 121.223 -0.015 0.000 2.693 359 L HA 0.199 4.541 4.340 0.002 0.000 0.235 359 L C 1.063 177.931 176.870 -0.002 0.000 1.127 359 L CA 0.007 54.839 54.840 -0.012 0.000 0.914 359 L CB -0.295 41.686 42.059 -0.129 0.000 1.193 359 L HN -0.113 nan 8.230 nan 0.000 0.502 360 E N 0.000 120.168 120.200 -0.053 0.000 2.725 360 E HA 0.000 4.351 4.350 0.002 0.000 0.291 360 E CA 0.000 56.402 56.400 0.003 0.000 0.976 360 E CB 0.000 29.702 29.700 0.003 0.000 0.812 360 E HN 0.000 nan 8.360 nan 0.000 0.440