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 3fxy_1_A DATA FIRST_RESID 22 DATA SEQUENCE YQLTcYFTNW AQYRPGLGRF MPDDINPcLc THLIYAFAGM QNNEITTIEW DATA SEQUENCE NDVTLYQAFN GLKNKNSQLK TLLAIGGWNF GTAPFTAMVS TPENRQTFIT DATA SEQUENCE SVIKFLRQYE FDGLDFDWEY PGSRGSPPQD KHLFTVLVQE MREAFEQEAK DATA SEQUENCE QINKPRLMVT AAVAAGISNI QSGYEIPQLS QYLDYIHVMT YDLHGSWEGY DATA SEQUENCE TGENSPLYKY PTDTGSNAYL NVDYVMNYWK DNGAPAEKLI VGFPTYGHNF DATA SEQUENCE ILSNPSNTGI GAPTSGAGPA GPYAKESGIW AYYEIcTFLK NGATQGWDAP DATA SEQUENCE QEVPYAYQGN VWVGYDNVKS FDIKAQWLKH NKFGGAMVWA IDLDDFTGTF DATA SEQUENCE cNQGKFPLIS TLKKALGLQS AScTAPAQP 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.856 175.900 -0.073 0.000 1.272 22 Y CA 0.000 58.088 58.100 -0.020 0.000 1.940 22 Y CB 0.000 38.448 38.460 -0.020 0.000 1.050 23 Q N 1.909 121.737 119.800 0.048 0.000 2.235 23 Q HA 0.601 4.941 4.340 -0.000 0.000 0.256 23 Q C -1.453 174.470 176.000 -0.128 0.000 0.951 23 Q CA -0.955 54.746 55.803 -0.171 0.000 0.890 23 Q CB 2.726 31.200 28.738 -0.441 0.000 1.279 23 Q HN 0.585 nan 8.270 nan 0.000 0.444 24 L N 1.448 122.568 121.223 -0.171 0.000 2.415 24 L HA 0.414 4.754 4.340 -0.000 0.000 0.268 24 L C -1.118 175.675 176.870 -0.129 0.000 0.984 24 L CA 0.094 54.855 54.840 -0.132 0.000 0.853 24 L CB 1.850 43.844 42.059 -0.109 0.000 1.215 24 L HN 0.429 nan 8.230 nan 0.000 0.419 25 T N 4.241 118.730 114.554 -0.109 0.000 2.770 25 T HA 0.459 4.809 4.350 -0.000 0.000 0.283 25 T C -0.730 173.931 174.700 -0.066 0.000 0.988 25 T CA -0.200 61.839 62.100 -0.101 0.000 0.957 25 T CB 0.409 69.183 68.868 -0.157 0.000 0.930 25 T HN 0.634 nan 8.240 nan 0.000 0.443 26 c N 4.155 122.714 118.600 -0.068 0.000 2.301 26 c HA 0.463 5.032 4.570 -0.000 0.000 0.323 26 c C -0.205 173.868 174.090 -0.028 0.000 1.265 26 c CA -1.385 54.938 56.329 -0.009 0.000 1.503 26 c CB -0.995 41.501 42.510 -0.023 0.000 2.195 26 c HN 0.830 nan 8.230 nan 0.000 0.477 27 Y N 2.228 122.526 120.300 -0.004 0.000 2.402 27 Y HA 0.378 4.927 4.550 -0.000 0.000 0.333 27 Y C 0.167 175.910 175.900 -0.262 0.000 1.076 27 Y CA 0.068 58.113 58.100 -0.092 0.000 1.299 27 Y CB 0.343 38.746 38.460 -0.094 0.000 1.197 27 Y HN 0.710 nan 8.280 nan 0.000 0.517 28 F N 4.032 123.843 119.950 -0.231 0.000 2.443 28 F HA 0.555 5.082 4.527 -0.000 0.000 0.335 28 F C -0.193 175.162 175.800 -0.740 0.000 1.104 28 F CA -0.755 56.992 58.000 -0.422 0.000 1.013 28 F CB 1.156 40.098 39.000 -0.097 0.000 1.136 28 F HN 0.438 nan 8.300 nan 0.000 0.470 29 T N 2.217 115.641 114.554 -1.884 0.000 2.797 29 T HA 0.223 4.573 4.350 -0.000 0.000 0.279 29 T C 0.411 173.889 174.700 -2.037 0.000 0.991 29 T CA -0.817 60.067 62.100 -2.027 0.000 0.979 29 T CB 1.069 68.402 68.868 -2.558 0.000 0.943 29 T HN 0.694 nan 8.240 nan 0.000 0.444 30 N N 1.556 119.494 118.700 -1.270 0.000 2.521 30 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 30 N C 0.825 176.197 175.510 -0.231 0.000 1.146 30 N CA -0.079 52.587 53.050 -0.640 0.000 0.893 30 N CB -0.528 37.859 38.487 -0.167 0.000 0.975 30 N HN 0.973 nan 8.380 nan 0.000 0.451 31 W N -2.038 119.126 121.300 -0.226 0.000 3.177 31 W HA 0.642 5.302 4.660 -0.000 0.000 0.309 31 W C 1.466 177.957 176.519 -0.045 0.000 1.224 31 W CA -0.173 57.181 57.345 0.015 0.000 1.718 31 W CB -0.211 29.346 29.460 0.161 0.000 1.078 31 W HN 0.065 nan 8.180 nan 0.000 0.618 32 A N 2.073 124.602 122.820 -0.485 0.000 2.067 32 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 32 A C 2.176 179.704 177.584 -0.093 0.000 1.158 32 A CA 1.776 53.642 52.037 -0.286 0.000 0.661 32 A CB -0.816 17.892 19.000 -0.487 0.000 0.801 32 A HN 0.647 nan 8.150 nan 0.000 0.452 33 Q N -1.656 118.017 119.800 -0.212 0.000 2.248 33 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 33 Q C 1.112 177.013 176.000 -0.165 0.000 0.984 33 Q CA 1.923 57.589 55.803 -0.227 0.000 0.875 33 Q CB -0.652 27.841 28.738 -0.408 0.000 0.910 33 Q HN 0.697 nan 8.270 nan 0.000 0.433 34 Y N 0.881 121.291 120.300 0.183 0.000 2.490 34 Y HA 0.253 4.803 4.550 -0.000 0.000 0.281 34 Y C 0.441 176.454 175.900 0.189 0.000 1.174 34 Y CA -0.409 57.808 58.100 0.195 0.000 1.295 34 Y CB 0.214 38.800 38.460 0.209 0.000 1.062 34 Y HN -0.018 nan 8.280 nan 0.000 0.522 35 R N 2.409 123.091 120.500 0.304 0.000 2.543 35 R HA 0.151 4.491 4.340 -0.000 0.000 0.277 35 R C -2.406 174.071 176.300 0.295 0.000 1.074 35 R CA -1.683 54.603 56.100 0.311 0.000 1.076 35 R CB -0.249 30.261 30.300 0.350 0.000 0.993 35 R HN -0.009 nan 8.270 nan 0.000 0.459 36 P HA 0.029 nan 4.420 nan 0.000 0.274 36 P C 0.600 178.089 177.300 0.316 0.000 1.231 36 P CA 0.193 63.425 63.100 0.220 0.000 0.790 36 P CB 0.902 32.664 31.700 0.103 0.000 0.951 37 G N 1.994 110.937 108.800 0.238 0.000 2.672 37 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.324 37 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.324 37 G C 1.002 176.061 174.900 0.266 0.000 1.286 37 G CA 0.609 45.855 45.100 0.244 0.000 1.004 37 G HN 0.510 nan 8.290 nan 0.000 0.548 38 L N 2.327 123.719 121.223 0.281 0.000 2.549 38 L HA 0.159 4.499 4.340 -0.000 0.000 0.229 38 L C 2.936 179.809 176.870 0.004 0.000 1.158 38 L CA 1.007 55.895 54.840 0.079 0.000 0.842 38 L CB -0.592 41.452 42.059 -0.025 0.000 0.952 38 L HN 0.643 nan 8.230 nan 0.000 0.452 39 G N -0.423 108.506 108.800 0.214 0.000 2.551 39 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 39 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 39 G C 0.939 176.086 174.900 0.411 0.000 1.137 39 G CA -0.414 44.859 45.100 0.290 0.000 0.798 39 G HN 0.219 nan 8.290 nan 0.000 0.536 40 R N -0.189 120.515 120.500 0.341 0.000 2.502 40 R HA 0.215 4.555 4.340 -0.000 0.000 0.292 40 R C -1.482 174.939 176.300 0.201 0.000 0.998 40 R CA -0.140 56.103 56.100 0.237 0.000 1.056 40 R CB -0.132 30.273 30.300 0.175 0.000 0.939 40 R HN 0.083 nan 8.270 nan 0.000 0.411 41 F N 6.427 126.318 119.950 -0.098 0.000 2.539 41 F HA 0.396 4.923 4.527 -0.001 0.000 0.328 41 F C -0.944 174.820 175.800 -0.060 0.000 1.148 41 F CA -0.977 56.858 58.000 -0.276 0.000 0.940 41 F CB 1.353 40.014 39.000 -0.565 0.000 1.194 41 F HN 0.355 nan 8.300 nan 0.000 0.438 42 M N 6.562 126.038 119.600 -0.207 0.000 2.762 42 M HA 0.409 4.888 4.480 -0.000 0.000 0.306 42 M C -1.897 174.279 176.300 -0.206 0.000 1.223 42 M CA -2.565 52.708 55.300 -0.044 0.000 0.896 42 M CB 1.011 33.550 32.600 -0.102 0.000 1.684 42 M HN 0.229 nan 8.290 nan 0.000 0.491 43 P HA -0.167 nan 4.420 nan 0.000 0.216 43 P C 0.519 177.652 177.300 -0.278 0.000 1.150 43 P CA 1.468 64.335 63.100 -0.387 0.000 0.843 43 P CB 0.193 31.761 31.700 -0.221 0.000 0.787 44 D N -0.978 119.284 120.400 -0.230 0.000 2.378 44 D HA -0.092 4.547 4.640 -0.000 0.000 0.222 44 D C 0.814 176.975 176.300 -0.232 0.000 0.980 44 D CA 0.813 54.695 54.000 -0.195 0.000 0.907 44 D CB -0.323 40.394 40.800 -0.138 0.000 0.899 44 D HN 0.261 nan 8.370 nan 0.000 0.527 45 D N 0.214 120.362 120.400 -0.421 0.000 2.355 45 D HA 0.045 4.685 4.640 -0.000 0.000 0.218 45 D C 0.881 177.046 176.300 -0.225 0.000 1.004 45 D CA 0.060 53.755 54.000 -0.509 0.000 0.880 45 D CB 0.890 40.981 40.800 -1.182 0.000 0.911 45 D HN 0.291 nan 8.370 nan 0.000 0.528 46 I N 1.837 122.326 120.570 -0.134 0.000 2.416 46 I HA -0.015 4.154 4.170 -0.000 0.000 0.288 46 I C 0.811 176.898 176.117 -0.051 0.000 1.051 46 I CA -0.509 60.815 61.300 0.040 0.000 1.375 46 I CB 0.495 38.475 38.000 -0.033 0.000 1.407 46 I HN -0.255 nan 8.210 nan 0.000 0.516 47 N N 9.940 128.591 118.700 -0.082 0.000 2.416 47 N HA 0.081 4.821 4.740 -0.000 0.000 0.265 47 N C -1.477 173.940 175.510 -0.155 0.000 1.195 47 N CA -1.714 51.276 53.050 -0.099 0.000 0.943 47 N CB 1.071 39.498 38.487 -0.100 0.000 1.115 47 N HN 0.336 nan 8.380 nan 0.000 0.481 48 P HA -0.059 nan 4.420 nan 0.000 0.225 48 P C 0.975 178.201 177.300 -0.122 0.000 1.148 48 P CA 0.644 63.656 63.100 -0.145 0.000 0.779 48 P CB 0.229 31.851 31.700 -0.130 0.000 0.780 49 c N -1.123 117.417 118.600 -0.100 0.000 2.754 49 c HA 0.259 4.829 4.570 -0.000 0.000 0.276 49 c C 2.196 176.235 174.090 -0.087 0.000 1.264 49 c CA -0.397 55.885 56.329 -0.078 0.000 1.700 49 c CB -2.296 40.182 42.510 -0.053 0.000 1.885 49 c HN 0.079 nan 8.230 nan 0.000 0.607 50 L N 0.851 121.995 121.223 -0.132 0.000 2.102 50 L HA 0.304 4.644 4.340 -0.000 0.000 0.202 50 L C 1.068 177.861 176.870 -0.128 0.000 1.076 50 L CA 1.826 56.573 54.840 -0.156 0.000 0.761 50 L CB -0.242 41.638 42.059 -0.299 0.000 0.921 50 L HN 0.358 nan 8.230 nan 0.000 0.444 51 c N -1.326 117.196 118.600 -0.130 0.000 2.486 51 c HA 0.506 5.076 4.570 -0.000 0.000 0.348 51 c C 1.934 175.990 174.090 -0.056 0.000 1.203 51 c CA 0.013 56.285 56.329 -0.095 0.000 1.911 51 c CB 1.328 43.779 42.510 -0.097 0.000 2.340 51 c HN 0.581 nan 8.230 nan 0.000 0.511 52 T N -2.087 112.448 114.554 -0.031 0.000 3.009 52 T HA 0.059 4.408 4.350 -0.000 0.000 0.258 52 T C 0.302 175.167 174.700 0.276 0.000 1.063 52 T CA 1.128 63.257 62.100 0.049 0.000 1.139 52 T CB -0.177 68.672 68.868 -0.032 0.000 0.890 52 T HN 0.741 nan 8.240 nan 0.000 0.471 53 H N -0.095 118.919 119.070 -0.093 0.000 2.637 53 H HA 0.739 5.295 4.556 -0.001 0.000 0.363 53 H C -0.990 174.282 175.328 -0.093 0.000 1.131 53 H CA -1.607 54.392 56.048 -0.082 0.000 1.183 53 H CB 1.413 31.122 29.762 -0.089 0.000 1.637 53 H HN 0.186 nan 8.280 nan 0.000 0.531 54 L N 3.683 124.928 121.223 0.037 0.000 2.365 54 L HA 0.551 4.891 4.340 -0.000 0.000 0.273 54 L C -0.476 176.554 176.870 0.267 0.000 1.000 54 L CA -0.522 54.363 54.840 0.075 0.000 0.819 54 L CB 1.855 43.842 42.059 -0.119 0.000 1.284 54 L HN 0.413 nan 8.230 nan 0.000 0.418 55 I N 2.329 123.011 120.570 0.187 0.000 2.436 55 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 55 I C -1.112 175.107 176.117 0.170 0.000 1.010 55 I CA -0.672 60.682 61.300 0.089 0.000 1.098 55 I CB 2.031 39.767 38.000 -0.440 0.000 1.266 55 I HN 0.489 nan 8.210 nan 0.000 0.434 56 Y N 5.846 126.115 120.300 -0.052 0.000 2.383 56 Y HA 0.601 5.150 4.550 -0.000 0.000 0.344 56 Y C 0.129 175.946 175.900 -0.137 0.000 0.986 56 Y CA -0.511 57.447 58.100 -0.237 0.000 1.175 56 Y CB 0.961 39.151 38.460 -0.450 0.000 1.152 56 Y HN 0.646 nan 8.280 nan 0.000 0.511 57 A N 7.176 129.812 122.820 -0.306 0.000 2.288 57 A HA 0.719 5.038 4.320 -0.000 0.000 0.320 57 A C -1.607 175.803 177.584 -0.290 0.000 1.217 57 A CA -0.357 51.331 52.037 -0.581 0.000 0.840 57 A CB 0.200 18.473 19.000 -1.211 0.000 1.179 57 A HN 0.752 nan 8.150 nan 0.000 0.504 58 F N 0.750 120.926 119.950 0.377 0.000 2.613 58 F HA 0.682 5.209 4.527 -0.001 0.000 0.314 58 F C 0.621 176.597 175.800 0.294 0.000 1.075 58 F CA -0.526 57.678 58.000 0.340 0.000 0.945 58 F CB 2.256 41.437 39.000 0.302 0.000 1.310 58 F HN 0.725 nan 8.300 nan 0.000 0.467 59 A N 0.565 123.611 122.820 0.376 0.000 2.279 59 A HA 0.826 5.145 4.320 -0.000 0.000 0.303 59 A C 0.085 177.691 177.584 0.037 0.000 1.108 59 A CA 0.132 52.274 52.037 0.175 0.000 0.830 59 A CB 0.560 19.557 19.000 -0.004 0.000 1.106 59 A HN 0.922 nan 8.150 nan 0.000 0.493 60 G N -0.775 108.037 108.800 0.021 0.000 2.990 60 G HA2 0.615 4.575 3.960 -0.000 0.000 0.208 60 G HA3 0.615 4.575 3.960 -0.000 0.000 0.208 60 G C -0.714 174.203 174.900 0.028 0.000 1.334 60 G CA -0.591 44.523 45.100 0.023 0.000 1.024 60 G HN 0.793 nan 8.290 nan 0.000 0.574 61 M N -0.334 119.387 119.600 0.202 0.000 2.371 61 M HA 0.423 4.903 4.480 -0.000 0.000 0.287 61 M C -2.043 174.313 176.300 0.093 0.000 1.149 61 M CA -0.441 54.942 55.300 0.139 0.000 0.929 61 M CB 2.446 35.135 32.600 0.148 0.000 1.683 61 M HN 0.540 nan 8.290 nan 0.000 0.470 62 Q N 2.996 122.837 119.800 0.069 0.000 2.285 62 Q HA 0.390 4.730 4.340 -0.000 0.000 0.269 62 Q C -0.791 175.236 176.000 0.046 0.000 1.030 62 Q CA -0.737 55.092 55.803 0.043 0.000 0.788 62 Q CB 1.745 30.515 28.738 0.054 0.000 1.266 62 Q HN 0.858 nan 8.270 nan 0.000 0.438 63 N N 3.250 121.963 118.700 0.022 0.000 2.714 63 N HA -0.228 4.511 4.740 -0.000 0.000 0.252 63 N C -0.784 174.759 175.510 0.055 0.000 1.014 63 N CA 1.044 54.111 53.050 0.027 0.000 0.735 63 N CB -0.941 37.566 38.487 0.033 0.000 0.924 63 N HN 0.879 nan 8.380 nan 0.000 0.540 64 N N -1.655 117.080 118.700 0.059 0.000 2.741 64 N HA -0.197 4.542 4.740 -0.000 0.000 0.250 64 N C -0.807 174.861 175.510 0.264 0.000 1.115 64 N CA 1.335 54.458 53.050 0.122 0.000 0.724 64 N CB -0.823 37.722 38.487 0.097 0.000 1.090 64 N HN 0.696 nan 8.380 nan 0.000 0.558 65 E N 0.244 120.566 120.200 0.205 0.000 2.248 65 E HA 0.414 4.763 4.350 -0.000 0.000 0.267 65 E C 0.019 176.678 176.600 0.097 0.000 0.877 65 E CA -0.811 55.683 56.400 0.156 0.000 0.759 65 E CB 2.375 32.129 29.700 0.090 0.000 1.182 65 E HN 0.167 nan 8.360 nan 0.000 0.418 66 I N 2.559 123.093 120.570 -0.061 0.000 2.710 66 I HA 0.020 4.189 4.170 -0.000 0.000 0.286 66 I C -0.063 175.814 176.117 -0.400 0.000 1.181 66 I CA 0.825 61.969 61.300 -0.259 0.000 1.430 66 I CB 0.398 38.065 38.000 -0.556 0.000 1.367 66 I HN 0.634 nan 8.210 nan 0.000 0.577 67 T N 1.818 116.194 114.554 -0.297 0.000 2.865 67 T HA 0.505 4.855 4.350 -0.000 0.000 0.294 67 T C -0.033 174.687 174.700 0.032 0.000 1.119 67 T CA -0.416 61.635 62.100 -0.081 0.000 1.007 67 T CB 1.387 70.299 68.868 0.074 0.000 1.225 67 T HN 0.674 nan 8.240 nan 0.000 0.515 68 T N -0.840 113.868 114.554 0.257 0.000 2.726 68 T HA 0.539 4.889 4.350 -0.000 0.000 0.294 68 T C 0.897 175.710 174.700 0.189 0.000 1.013 68 T CA -0.586 61.661 62.100 0.246 0.000 0.996 68 T CB 0.286 69.242 68.868 0.145 0.000 1.016 68 T HN 0.616 nan 8.240 nan 0.000 0.529 69 I N -1.186 119.504 120.570 0.201 0.000 4.530 69 I HA 0.218 4.387 4.170 -0.000 0.000 0.318 69 I C 0.556 176.808 176.117 0.225 0.000 1.257 69 I CA -0.125 61.307 61.300 0.219 0.000 1.301 69 I CB 0.521 38.685 38.000 0.274 0.000 1.297 69 I HN 0.548 nan 8.210 nan 0.000 0.451 70 E N 1.607 121.928 120.200 0.202 0.000 2.214 70 E HA 0.056 4.405 4.350 -0.000 0.000 0.274 70 E C 0.243 176.909 176.600 0.110 0.000 0.977 70 E CA -0.569 55.959 56.400 0.214 0.000 0.827 70 E CB 1.070 30.874 29.700 0.173 0.000 1.130 70 E HN 0.224 nan 8.360 nan 0.000 0.394 71 W N 3.901 125.277 121.300 0.127 0.000 2.331 71 W HA -0.198 4.462 4.660 -0.000 0.000 0.291 71 W C 0.597 177.143 176.519 0.045 0.000 1.214 71 W CA 1.407 58.803 57.345 0.085 0.000 1.228 71 W CB -0.706 28.812 29.460 0.098 0.000 1.135 71 W HN 0.392 nan 8.180 nan 0.000 0.537 72 N N 0.432 118.541 118.700 -0.985 0.000 2.214 72 N HA -0.054 4.685 4.740 -0.000 0.000 0.214 72 N C 0.618 175.783 175.510 -0.575 0.000 1.132 72 N CA 0.305 52.766 53.050 -0.983 0.000 0.856 72 N CB -0.789 36.668 38.487 -1.716 0.000 1.020 72 N HN -0.104 nan 8.380 nan 0.000 0.509 73 D N 0.916 121.034 120.400 -0.470 0.000 2.133 73 D HA -0.112 4.527 4.640 -0.000 0.000 0.195 73 D C 1.747 177.419 176.300 -1.048 0.000 0.997 73 D CA 0.845 54.468 54.000 -0.629 0.000 0.840 73 D CB 0.174 40.610 40.800 -0.606 0.000 0.947 73 D HN 0.097 nan 8.370 nan 0.000 0.452 74 V N 0.599 120.046 119.914 -0.778 0.000 2.343 74 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 74 V C 2.495 178.390 176.094 -0.331 0.000 1.051 74 V CA 1.910 63.836 62.300 -0.624 0.000 1.036 74 V CB -0.727 30.921 31.823 -0.291 0.000 0.654 74 V HN 0.226 nan 8.190 nan 0.000 0.451 75 T N 0.620 115.011 114.554 -0.272 0.000 2.746 75 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 75 T C 1.854 176.476 174.700 -0.130 0.000 1.039 75 T CA 1.550 63.548 62.100 -0.169 0.000 1.142 75 T CB -0.279 68.482 68.868 -0.179 0.000 0.866 75 T HN 0.325 nan 8.240 nan 0.000 0.444 76 L N -0.432 120.695 121.223 -0.160 0.000 2.093 76 L HA -0.072 4.267 4.340 -0.000 0.000 0.208 76 L C 2.525 179.473 176.870 0.131 0.000 1.085 76 L CA 1.234 56.081 54.840 0.012 0.000 0.755 76 L CB -0.779 41.370 42.059 0.150 0.000 0.904 76 L HN 0.226 nan 8.230 nan 0.000 0.435 77 Y N 0.967 121.181 120.300 -0.142 0.000 2.128 77 Y HA -0.282 4.267 4.550 -0.000 0.000 0.284 77 Y C 2.795 178.593 175.900 -0.170 0.000 1.154 77 Y CA 1.004 58.954 58.100 -0.249 0.000 1.149 77 Y CB -1.024 37.208 38.460 -0.380 0.000 0.976 77 Y HN 0.284 nan 8.280 nan 0.000 0.505 78 Q N -0.700 119.125 119.800 0.042 0.000 2.050 78 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 78 Q C 2.575 178.558 176.000 -0.028 0.000 0.980 78 Q CA 1.545 57.343 55.803 -0.009 0.000 0.840 78 Q CB -0.356 28.377 28.738 -0.009 0.000 0.898 78 Q HN 0.464 nan 8.270 nan 0.000 0.424 79 A N 0.276 123.089 122.820 -0.011 0.000 1.898 79 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 79 A C 1.856 179.420 177.584 -0.034 0.000 1.181 79 A CA 0.981 52.997 52.037 -0.035 0.000 0.620 79 A CB -0.765 18.210 19.000 -0.043 0.000 0.819 79 A HN 0.436 nan 8.150 nan 0.000 0.442 80 F N 1.222 121.086 119.950 -0.143 0.000 2.075 80 F HA -0.201 4.326 4.527 -0.000 0.000 0.297 80 F C 2.023 177.709 175.800 -0.191 0.000 1.113 80 F CA 2.082 59.985 58.000 -0.162 0.000 1.218 80 F CB -0.050 38.942 39.000 -0.014 0.000 0.984 80 F HN 0.206 nan 8.300 nan 0.000 0.472 81 N N 0.326 118.961 118.700 -0.109 0.000 2.457 81 N HA -0.035 4.705 4.740 -0.000 0.000 0.180 81 N C 1.946 177.328 175.510 -0.212 0.000 1.050 81 N CA 0.975 53.872 53.050 -0.255 0.000 0.906 81 N CB -0.797 37.470 38.487 -0.366 0.000 0.968 81 N HN 0.444 nan 8.380 nan 0.000 0.445 82 G N 1.016 109.718 108.800 -0.163 0.000 2.470 82 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.220 82 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.220 82 G C 1.569 176.376 174.900 -0.155 0.000 1.121 82 G CA 0.164 45.182 45.100 -0.137 0.000 0.766 82 G HN 0.247 nan 8.290 nan 0.000 0.553 83 L N -0.143 120.954 121.223 -0.210 0.000 2.191 83 L HA -0.062 4.277 4.340 -0.000 0.000 0.212 83 L C 2.747 179.504 176.870 -0.188 0.000 1.103 83 L CA 0.990 55.700 54.840 -0.218 0.000 0.769 83 L CB -0.219 41.653 42.059 -0.313 0.000 0.908 83 L HN 0.188 nan 8.230 nan 0.000 0.438 84 K N -0.071 120.215 120.400 -0.191 0.000 2.360 84 K HA -0.099 4.220 4.320 -0.000 0.000 0.201 84 K C 1.612 178.144 176.600 -0.112 0.000 1.046 84 K CA 0.698 56.895 56.287 -0.150 0.000 0.945 84 K CB -0.206 32.204 32.500 -0.151 0.000 0.750 84 K HN 0.380 nan 8.250 nan 0.000 0.464 85 N N 1.282 119.918 118.700 -0.107 0.000 2.289 85 N HA -0.135 4.605 4.740 -0.000 0.000 0.184 85 N C 1.048 176.513 175.510 -0.074 0.000 1.016 85 N CA 1.170 54.170 53.050 -0.083 0.000 0.872 85 N CB 0.093 38.533 38.487 -0.078 0.000 0.973 85 N HN 0.266 nan 8.380 nan 0.000 0.433 86 K N -0.241 120.109 120.400 -0.084 0.000 2.367 86 K HA 0.100 4.420 4.320 -0.000 0.000 0.194 86 K C 0.018 176.577 176.600 -0.069 0.000 1.027 86 K CA -0.043 56.201 56.287 -0.073 0.000 1.075 86 K CB 0.391 32.844 32.500 -0.078 0.000 0.845 86 K HN -0.026 nan 8.250 nan 0.000 0.529 87 N N 0.110 118.764 118.700 -0.076 0.000 2.571 87 N HA -0.001 4.738 4.740 -0.000 0.000 0.286 87 N C -0.019 175.454 175.510 -0.062 0.000 1.138 87 N CA -0.195 52.815 53.050 -0.067 0.000 0.859 87 N CB 1.522 39.962 38.487 -0.078 0.000 1.414 87 N HN -0.068 nan 8.380 nan 0.000 0.529 88 S N 2.060 117.732 115.700 -0.046 0.000 2.603 88 S HA -0.006 4.463 4.470 -0.000 0.000 0.229 88 S C 0.813 175.394 174.600 -0.032 0.000 0.972 88 S CA 0.604 58.780 58.200 -0.041 0.000 0.935 88 S CB 0.113 63.294 63.200 -0.032 0.000 0.769 88 S HN 0.545 nan 8.310 nan 0.000 0.536 89 Q N 0.037 119.822 119.800 -0.026 0.000 2.246 89 Q HA 0.386 4.726 4.340 -0.000 0.000 0.222 89 Q C -0.011 175.985 176.000 -0.006 0.000 0.851 89 Q CA -0.198 55.601 55.803 -0.007 0.000 0.945 89 Q CB 0.175 28.918 28.738 0.008 0.000 1.122 89 Q HN 0.527 nan 8.270 nan 0.000 0.508 90 L N 2.261 123.462 121.223 -0.038 0.000 2.462 90 L HA 0.068 4.408 4.340 -0.000 0.000 0.272 90 L C -0.414 176.400 176.870 -0.093 0.000 1.166 90 L CA 0.814 55.620 54.840 -0.058 0.000 0.880 90 L CB 0.288 42.285 42.059 -0.104 0.000 1.142 90 L HN -0.173 nan 8.230 nan 0.000 0.473 91 K N 3.037 123.359 120.400 -0.130 0.000 2.259 91 K HA 0.613 4.932 4.320 -0.000 0.000 0.252 91 K C -0.612 175.885 176.600 -0.172 0.000 0.936 91 K CA -0.697 55.466 56.287 -0.207 0.000 0.810 91 K CB 1.823 34.102 32.500 -0.369 0.000 1.143 91 K HN 0.731 nan 8.250 nan 0.000 0.427 92 T N -0.184 114.337 114.554 -0.055 0.000 2.885 92 T HA 0.711 5.061 4.350 -0.000 0.000 0.285 92 T C -0.585 174.287 174.700 0.286 0.000 1.019 92 T CA -0.889 61.302 62.100 0.151 0.000 1.010 92 T CB 0.818 69.810 68.868 0.206 0.000 1.022 92 T HN 0.232 nan 8.240 nan 0.000 0.466 93 L N 1.691 123.134 121.223 0.366 0.000 2.371 93 L HA 0.698 5.037 4.340 -0.000 0.000 0.262 93 L C -1.015 175.883 176.870 0.047 0.000 1.006 93 L CA -1.032 53.936 54.840 0.214 0.000 0.818 93 L CB 2.069 44.214 42.059 0.142 0.000 1.354 93 L HN 0.690 nan 8.230 nan 0.000 0.415 94 L N 1.914 122.929 121.223 -0.346 0.000 2.296 94 L HA 0.865 5.205 4.340 -0.000 0.000 0.286 94 L C -0.239 176.566 176.870 -0.109 0.000 1.023 94 L CA -0.263 54.252 54.840 -0.542 0.000 0.812 94 L CB 1.292 42.670 42.059 -1.135 0.000 1.223 94 L HN 0.697 nan 8.230 nan 0.000 0.421 95 A N 6.445 129.320 122.820 0.092 0.000 2.289 95 A HA 0.533 4.852 4.320 -0.000 0.000 0.298 95 A C -0.472 177.338 177.584 0.377 0.000 1.208 95 A CA -0.438 51.789 52.037 0.316 0.000 0.845 95 A CB 0.205 19.507 19.000 0.503 0.000 1.125 95 A HN 0.817 nan 8.150 nan 0.000 0.517 96 I N 2.998 123.754 120.570 0.309 0.000 2.377 96 I HA 0.636 4.805 4.170 -0.000 0.000 0.293 96 I C 0.679 176.911 176.117 0.192 0.000 0.987 96 I CA 1.128 62.549 61.300 0.201 0.000 1.185 96 I CB 1.189 39.279 38.000 0.150 0.000 1.341 96 I HN 1.115 nan 8.210 nan 0.000 0.455 97 G N 4.449 113.086 108.800 -0.272 0.000 2.637 97 G HA2 0.313 4.272 3.960 -0.000 0.000 0.211 97 G HA3 0.313 4.272 3.960 -0.000 0.000 0.211 97 G C 0.183 174.612 174.900 -0.786 0.000 1.213 97 G CA -0.191 44.601 45.100 -0.513 0.000 1.207 97 G HN 1.881 nan 8.290 nan 0.000 0.559 98 G N -2.119 106.222 108.800 -0.765 0.000 2.592 98 G HA2 0.062 4.022 3.960 -0.000 0.000 0.684 98 G HA3 0.062 4.022 3.960 -0.000 0.000 0.684 98 G C 0.715 175.467 174.900 -0.246 0.000 1.291 98 G CA 0.512 44.988 45.100 -1.039 0.000 0.891 98 G HN 1.645 nan 8.290 nan 0.000 0.544 99 W N 0.393 121.507 121.300 -0.310 0.000 2.353 99 W HA -0.127 4.532 4.660 -0.001 0.000 0.319 99 W C 2.346 178.784 176.519 -0.134 0.000 1.207 99 W CA 2.013 59.243 57.345 -0.191 0.000 1.291 99 W CB -0.169 29.195 29.460 -0.161 0.000 1.159 99 W HN 0.593 nan 8.180 nan 0.000 0.478 100 N N 0.472 119.187 118.700 0.026 0.000 2.205 100 N HA -0.213 4.527 4.740 -0.000 0.000 0.186 100 N C 1.468 176.925 175.510 -0.088 0.000 1.015 100 N CA 1.524 54.541 53.050 -0.055 0.000 0.862 100 N CB -1.226 37.249 38.487 -0.021 0.000 0.986 100 N HN 0.137 nan 8.380 nan 0.000 0.429 101 F N 1.073 120.898 119.950 -0.209 0.000 2.202 101 F HA -0.062 4.465 4.527 -0.000 0.000 0.301 101 F C 1.639 177.297 175.800 -0.238 0.000 1.082 101 F CA 1.282 59.153 58.000 -0.214 0.000 1.313 101 F CB -0.383 38.484 39.000 -0.221 0.000 1.024 101 F HN 0.183 nan 8.300 nan 0.000 0.495 102 G N -0.614 108.090 108.800 -0.160 0.000 2.593 102 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.237 102 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.237 102 G C 0.610 175.452 174.900 -0.097 0.000 1.312 102 G CA 0.531 45.482 45.100 -0.247 0.000 0.896 102 G HN 0.737 nan 8.290 nan 0.000 0.574 103 T N -2.958 111.524 114.554 -0.120 0.000 2.978 103 T HA 0.568 4.918 4.350 -0.000 0.000 0.248 103 T C 2.617 177.229 174.700 -0.147 0.000 1.018 103 T CA 1.750 63.851 62.100 0.001 0.000 1.026 103 T CB -0.098 68.888 68.868 0.196 0.000 1.032 103 T HN 2.062 nan 8.240 nan 0.000 0.485 104 A N 3.335 126.027 122.820 -0.213 0.000 1.903 104 A HA -0.016 4.303 4.320 -0.000 0.000 0.219 104 A C 0.297 177.704 177.584 -0.295 0.000 1.191 104 A CA 1.876 53.779 52.037 -0.224 0.000 0.638 104 A CB -1.808 17.052 19.000 -0.232 0.000 0.823 104 A HN 0.518 nan 8.150 nan 0.000 0.451 105 P HA -0.066 nan 4.420 nan 0.000 0.219 105 P C 0.997 178.030 177.300 -0.445 0.000 1.150 105 P CA 0.815 63.638 63.100 -0.462 0.000 0.814 105 P CB -0.149 31.152 31.700 -0.666 0.000 0.787 106 F N -0.209 119.436 119.950 -0.508 0.000 2.113 106 F HA -0.128 4.399 4.527 -0.001 0.000 0.297 106 F C 2.375 177.761 175.800 -0.691 0.000 1.103 106 F CA 1.471 58.933 58.000 -0.897 0.000 1.248 106 F CB -1.800 35.956 39.000 -2.074 0.000 0.999 106 F HN -0.130 nan 8.300 nan 0.000 0.475 107 T N 0.082 114.482 114.554 -0.256 0.000 2.665 107 T HA -0.270 4.080 4.350 -0.000 0.000 0.268 107 T C 2.278 176.963 174.700 -0.025 0.000 1.035 107 T CA 1.646 63.748 62.100 0.003 0.000 1.151 107 T CB -0.800 68.100 68.868 0.054 0.000 0.862 107 T HN 0.292 nan 8.240 nan 0.000 0.438 108 A N 1.566 124.333 122.820 -0.088 0.000 1.898 108 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 108 A C 2.300 179.847 177.584 -0.061 0.000 1.181 108 A CA 1.541 53.536 52.037 -0.070 0.000 0.620 108 A CB -0.644 18.298 19.000 -0.095 0.000 0.819 108 A HN 0.408 nan 8.150 nan 0.000 0.442 109 M N 0.777 120.313 119.600 -0.108 0.000 2.175 109 M HA -0.102 4.377 4.480 -0.000 0.000 0.264 109 M C 1.953 178.233 176.300 -0.033 0.000 1.063 109 M CA 2.340 57.583 55.300 -0.096 0.000 1.119 109 M CB -0.543 31.920 32.600 -0.229 0.000 1.377 109 M HN 0.462 nan 8.290 nan 0.000 0.415 110 V N -1.289 118.622 119.914 -0.004 0.000 3.541 110 V HA 0.003 4.123 4.120 -0.000 0.000 0.267 110 V C 2.144 178.276 176.094 0.063 0.000 1.213 110 V CA 1.257 63.595 62.300 0.063 0.000 1.149 110 V CB -1.429 30.496 31.823 0.170 0.000 0.822 110 V HN 0.577 nan 8.190 nan 0.000 0.462 111 S N 1.540 117.268 115.700 0.046 0.000 2.419 111 S HA -0.053 4.417 4.470 -0.000 0.000 0.233 111 S C 1.148 175.771 174.600 0.038 0.000 1.016 111 S CA 0.983 59.209 58.200 0.044 0.000 0.974 111 S CB -0.884 62.334 63.200 0.029 0.000 0.786 111 S HN 1.041 nan 8.310 nan 0.000 0.492 112 T N -2.721 111.854 114.554 0.034 0.000 2.900 112 T HA 0.603 4.952 4.350 -0.000 0.000 0.295 112 T C -2.830 171.892 174.700 0.037 0.000 1.044 112 T CA -1.929 60.191 62.100 0.033 0.000 0.995 112 T CB 1.951 70.836 68.868 0.028 0.000 1.072 112 T HN -0.194 nan 8.240 nan 0.000 0.473 113 P HA -0.015 nan 4.420 nan 0.000 0.218 113 P C 0.981 178.307 177.300 0.043 0.000 1.149 113 P CA 0.972 64.093 63.100 0.034 0.000 0.817 113 P CB 0.132 31.849 31.700 0.027 0.000 0.785 114 E N -0.550 119.675 120.200 0.041 0.000 2.072 114 E HA -0.152 4.197 4.350 -0.000 0.000 0.191 114 E C 1.802 178.437 176.600 0.060 0.000 0.985 114 E CA 1.080 57.507 56.400 0.045 0.000 0.801 114 E CB -0.941 28.781 29.700 0.036 0.000 0.750 114 E HN 0.234 nan 8.360 nan 0.000 0.452 115 N N 0.577 119.312 118.700 0.058 0.000 2.188 115 N HA -0.088 4.652 4.740 -0.000 0.000 0.184 115 N C 1.573 177.153 175.510 0.117 0.000 1.018 115 N CA 0.909 54.002 53.050 0.073 0.000 0.858 115 N CB -0.131 38.382 38.487 0.043 0.000 0.989 115 N HN 0.127 nan 8.380 nan 0.000 0.426 116 R N 0.661 121.224 120.500 0.106 0.000 2.073 116 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 116 R C 2.187 178.597 176.300 0.183 0.000 1.134 116 R CA 1.273 57.463 56.100 0.151 0.000 0.952 116 R CB -0.312 30.045 30.300 0.095 0.000 0.850 116 R HN 0.406 nan 8.270 nan 0.000 0.433 117 Q N 0.377 120.247 119.800 0.117 0.000 2.084 117 Q HA -0.142 4.197 4.340 -0.000 0.000 0.202 117 Q C 1.633 177.699 176.000 0.111 0.000 0.978 117 Q CA 2.071 57.934 55.803 0.098 0.000 0.844 117 Q CB 0.008 28.785 28.738 0.065 0.000 0.898 117 Q HN 0.196 nan 8.270 nan 0.000 0.426 118 T N 0.606 115.232 114.554 0.120 0.000 2.684 118 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 118 T C 1.242 176.032 174.700 0.151 0.000 1.036 118 T CA 1.415 63.585 62.100 0.117 0.000 1.148 118 T CB -0.500 68.432 68.868 0.108 0.000 0.863 118 T HN 0.386 nan 8.240 nan 0.000 0.436 119 F N 1.575 121.562 119.950 0.061 0.000 2.069 119 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 119 F C 2.026 177.882 175.800 0.094 0.000 1.113 119 F CA 1.012 59.057 58.000 0.074 0.000 1.214 119 F CB -0.572 38.487 39.000 0.097 0.000 0.978 119 F HN 0.083 nan 8.300 nan 0.000 0.474 120 I N -0.289 120.337 120.570 0.092 0.000 2.163 120 I HA -0.375 3.794 4.170 -0.000 0.000 0.243 120 I C 2.285 178.400 176.117 -0.003 0.000 1.085 120 I CA 1.945 63.252 61.300 0.010 0.000 1.347 120 I CB -0.948 37.108 38.000 0.094 0.000 1.044 120 I HN 0.178 nan 8.210 nan 0.000 0.408 121 T N 0.194 114.766 114.554 0.031 0.000 2.684 121 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 121 T C 2.100 176.807 174.700 0.012 0.000 1.036 121 T CA 1.979 64.102 62.100 0.038 0.000 1.148 121 T CB -0.444 68.452 68.868 0.047 0.000 0.863 121 T HN 0.584 nan 8.240 nan 0.000 0.436 122 S N 1.246 116.929 115.700 -0.029 0.000 2.370 122 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 122 S C 2.172 176.738 174.600 -0.056 0.000 1.033 122 S CA 1.277 59.459 58.200 -0.031 0.000 1.011 122 S CB -0.968 62.202 63.200 -0.051 0.000 0.852 122 S HN 0.303 nan 8.310 nan 0.000 0.457 123 V N 2.342 122.125 119.914 -0.218 0.000 2.261 123 V HA -0.135 3.985 4.120 -0.000 0.000 0.246 123 V C 2.539 178.659 176.094 0.044 0.000 1.047 123 V CA 2.004 64.205 62.300 -0.164 0.000 1.015 123 V CB -0.807 30.822 31.823 -0.325 0.000 0.642 123 V HN 0.510 nan 8.190 nan 0.000 0.446 124 I N -0.122 120.500 120.570 0.087 0.000 2.151 124 I HA -0.339 3.830 4.170 -0.000 0.000 0.243 124 I C 2.601 178.730 176.117 0.020 0.000 1.080 124 I CA 2.153 63.485 61.300 0.054 0.000 1.339 124 I CB -0.468 37.588 38.000 0.093 0.000 1.039 124 I HN 0.290 nan 8.210 nan 0.000 0.409 125 K N 0.666 121.091 120.400 0.043 0.000 2.057 125 K HA -0.224 4.095 4.320 -0.000 0.000 0.207 125 K C 2.232 178.849 176.600 0.029 0.000 1.049 125 K CA 1.641 57.942 56.287 0.024 0.000 0.931 125 K CB -0.223 32.300 32.500 0.038 0.000 0.714 125 K HN 0.108 nan 8.250 nan 0.000 0.440 126 F N 1.396 121.319 119.950 -0.045 0.000 2.075 126 F HA -0.166 4.361 4.527 -0.001 0.000 0.297 126 F C 1.775 177.605 175.800 0.050 0.000 1.113 126 F CA 1.425 59.436 58.000 0.019 0.000 1.218 126 F CB -0.037 39.001 39.000 0.064 0.000 0.984 126 F HN -0.031 nan 8.300 nan 0.000 0.472 127 L N -0.466 120.894 121.223 0.229 0.000 2.083 127 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 127 L C 2.568 179.468 176.870 0.050 0.000 1.083 127 L CA 0.893 55.838 54.840 0.176 0.000 0.752 127 L CB -0.677 41.419 42.059 0.062 0.000 0.899 127 L HN 0.029 nan 8.230 nan 0.000 0.433 128 R N 0.003 120.476 120.500 -0.045 0.000 2.090 128 R HA -0.139 4.201 4.340 -0.000 0.000 0.228 128 R C 2.093 178.295 176.300 -0.164 0.000 1.110 128 R CA 1.034 57.076 56.100 -0.096 0.000 0.973 128 R CB -0.590 29.653 30.300 -0.094 0.000 0.869 128 R HN 0.499 nan 8.270 nan 0.000 0.440 129 Q N -0.271 119.362 119.800 -0.278 0.000 2.084 129 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 129 Q C 0.735 176.421 176.000 -0.524 0.000 0.978 129 Q CA 1.574 57.081 55.803 -0.494 0.000 0.844 129 Q CB 0.071 28.324 28.738 -0.809 0.000 0.898 129 Q HN 0.338 nan 8.270 nan 0.000 0.426 130 Y N 0.131 120.324 120.300 -0.178 0.000 2.457 130 Y HA 0.227 4.777 4.550 -0.000 0.000 0.263 130 Y C -0.216 175.506 175.900 -0.297 0.000 1.164 130 Y CA 0.302 58.279 58.100 -0.205 0.000 1.274 130 Y CB 0.577 38.906 38.460 -0.217 0.000 1.097 130 Y HN 0.154 nan 8.280 nan 0.000 0.523 131 E N -1.001 119.128 120.200 -0.117 0.000 2.468 131 E HA -0.211 4.138 4.350 -0.000 0.000 0.264 131 E C -0.933 175.524 176.600 -0.238 0.000 1.069 131 E CA -0.045 56.257 56.400 -0.164 0.000 0.768 131 E CB -1.983 27.616 29.700 -0.169 0.000 1.332 131 E HN 0.240 nan 8.360 nan 0.000 0.398 132 F N 0.242 120.151 119.950 -0.068 0.000 2.377 132 F HA 0.190 4.717 4.527 -0.001 0.000 0.328 132 F C 1.755 177.508 175.800 -0.079 0.000 1.094 132 F CA -0.379 57.587 58.000 -0.056 0.000 1.093 132 F CB 0.683 39.643 39.000 -0.065 0.000 1.214 132 F HN -0.107 nan 8.300 nan 0.000 0.518 133 D N 0.996 121.480 120.400 0.140 0.000 2.339 133 D HA 0.238 4.877 4.640 -0.000 0.000 0.217 133 D C 0.766 177.068 176.300 0.003 0.000 1.050 133 D CA 0.520 54.532 54.000 0.019 0.000 0.856 133 D CB 0.626 41.412 40.800 -0.023 0.000 0.922 133 D HN 0.663 nan 8.370 nan 0.000 0.518 134 G N 0.306 109.139 108.800 0.054 0.000 2.342 134 G HA2 0.389 4.348 3.960 -0.000 0.000 0.297 134 G HA3 0.389 4.348 3.960 -0.000 0.000 0.297 134 G C -2.312 172.628 174.900 0.067 0.000 1.313 134 G CA -0.797 44.334 45.100 0.051 0.000 0.830 134 G HN 0.055 nan 8.290 nan 0.000 0.506 135 L N 0.313 121.618 121.223 0.137 0.000 2.362 135 L HA 0.791 5.131 4.340 -0.000 0.000 0.275 135 L C -1.346 175.565 176.870 0.068 0.000 0.998 135 L CA -0.599 54.262 54.840 0.035 0.000 0.820 135 L CB 2.200 44.243 42.059 -0.026 0.000 1.270 135 L HN 0.588 nan 8.230 nan 0.000 0.415 136 D N 3.331 123.789 120.400 0.097 0.000 2.303 136 D HA 0.318 4.958 4.640 -0.000 0.000 0.236 136 D C -1.118 175.333 176.300 0.252 0.000 1.068 136 D CA 0.008 54.170 54.000 0.269 0.000 0.830 136 D CB 0.634 41.670 40.800 0.394 0.000 1.109 136 D HN 0.305 nan 8.370 nan 0.000 0.496 137 F N 2.302 122.503 119.950 0.419 0.000 2.445 137 F HA 0.219 4.745 4.527 -0.001 0.000 0.359 137 F C 0.543 176.567 175.800 0.374 0.000 1.101 137 F CA -0.174 58.073 58.000 0.413 0.000 1.177 137 F CB 1.013 40.315 39.000 0.504 0.000 1.110 137 F HN 0.328 nan 8.300 nan 0.000 0.522 138 D N 3.241 123.944 120.400 0.504 0.000 2.943 138 D HA 0.024 4.664 4.640 -0.000 0.000 0.347 138 D C -1.005 175.404 176.300 0.180 0.000 1.305 138 D CA -0.200 54.019 54.000 0.364 0.000 0.870 138 D CB 0.153 41.233 40.800 0.467 0.000 1.081 138 D HN 0.334 nan 8.370 nan 0.000 0.492 139 W N 2.383 123.519 121.300 -0.275 0.000 2.388 139 W HA 0.267 4.927 4.660 -0.001 0.000 0.308 139 W C -0.494 175.790 176.519 -0.392 0.000 1.263 139 W CA -0.840 56.124 57.345 -0.634 0.000 1.286 139 W CB 0.218 28.953 29.460 -1.210 0.000 1.294 139 W HN 0.110 nan 8.180 nan 0.000 0.493 140 E N 6.957 127.153 120.200 -0.008 0.000 2.376 140 E HA 0.218 4.567 4.350 -0.000 0.000 0.236 140 E C -1.398 174.833 176.600 -0.616 0.000 0.962 140 E CA -0.360 55.587 56.400 -0.754 0.000 0.768 140 E CB 0.766 30.014 29.700 -0.752 0.000 1.236 140 E HN 0.290 nan 8.360 nan 0.000 0.431 141 Y N 0.210 120.481 120.300 -0.049 0.000 2.615 141 Y HA 0.359 4.909 4.550 -0.001 0.000 0.341 141 Y C -2.481 172.923 175.900 -0.827 0.000 1.089 141 Y CA -3.061 54.812 58.100 -0.378 0.000 1.049 141 Y CB 1.170 39.454 38.460 -0.294 0.000 1.296 141 Y HN 0.247 nan 8.280 nan 0.000 0.470 142 P HA 0.160 nan 4.420 nan 0.000 0.268 142 P C 0.665 177.571 177.300 -0.655 0.000 1.204 142 P CA 1.477 63.732 63.100 -1.410 0.000 0.768 142 P CB 0.624 31.307 31.700 -1.695 0.000 0.842 143 G N 1.551 110.134 108.800 -0.360 0.000 2.179 143 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 143 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 143 G C 0.212 175.028 174.900 -0.141 0.000 0.977 143 G CA 0.475 45.443 45.100 -0.221 0.000 0.641 143 G HN 0.892 nan 8.290 nan 0.000 0.533 144 S N -2.218 113.422 115.700 -0.101 0.000 2.671 144 S HA 0.754 5.224 4.470 -0.000 0.000 0.277 144 S C 0.296 174.905 174.600 0.015 0.000 1.165 144 S CA 0.435 58.619 58.200 -0.026 0.000 0.822 144 S CB 1.769 64.962 63.200 -0.012 0.000 1.150 144 S HN 1.295 nan 8.310 nan 0.000 0.479 145 R N -0.121 120.379 120.500 0.000 0.000 3.525 145 R HA -0.207 4.133 4.340 -0.000 0.000 0.276 145 R C 1.075 177.329 176.300 -0.077 0.000 1.116 145 R CA 1.132 57.193 56.100 -0.064 0.000 0.745 145 R CB -1.827 28.390 30.300 -0.139 0.000 1.185 145 R HN 2.098 nan 8.270 nan 0.000 0.454 146 G N -1.678 107.097 108.800 -0.042 0.000 2.278 146 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.210 146 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.210 146 G C -0.077 174.827 174.900 0.006 0.000 1.000 146 G CA 0.250 45.328 45.100 -0.036 0.000 0.635 146 G HN 0.694 nan 8.290 nan 0.000 0.495 147 S N 3.629 119.359 115.700 0.050 0.000 2.505 147 S HA 0.578 5.048 4.470 -0.000 0.000 0.276 147 S C -1.413 173.212 174.600 0.041 0.000 1.274 147 S CA -0.475 57.793 58.200 0.113 0.000 1.053 147 S CB 1.123 64.461 63.200 0.231 0.000 0.919 147 S HN 0.396 nan 8.310 nan 0.000 0.490 148 P HA 0.236 nan 4.420 nan 0.000 0.272 148 P C -2.237 175.061 177.300 -0.003 0.000 1.240 148 P CA -1.436 61.674 63.100 0.017 0.000 0.791 148 P CB -0.263 31.453 31.700 0.027 0.000 0.978 149 P HA -0.185 nan 4.420 nan 0.000 0.218 149 P C 1.691 178.982 177.300 -0.016 0.000 1.148 149 P CA 1.647 64.728 63.100 -0.031 0.000 0.822 149 P CB -0.250 31.436 31.700 -0.023 0.000 0.784 150 Q N -0.647 119.162 119.800 0.015 0.000 2.364 150 Q HA -0.155 4.184 4.340 -0.000 0.000 0.207 150 Q C 0.862 176.899 176.000 0.061 0.000 0.970 150 Q CA 1.408 57.240 55.803 0.049 0.000 0.888 150 Q CB -1.049 27.725 28.738 0.060 0.000 0.951 150 Q HN 0.239 nan 8.270 nan 0.000 0.469 151 D N 1.805 122.223 120.400 0.030 0.000 2.219 151 D HA -0.108 4.532 4.640 -0.000 0.000 0.205 151 D C 1.708 177.925 176.300 -0.139 0.000 0.970 151 D CA 1.096 55.101 54.000 0.008 0.000 0.851 151 D CB -0.062 40.761 40.800 0.039 0.000 0.943 151 D HN 0.430 nan 8.370 nan 0.000 0.488 152 K N 0.070 120.382 120.400 -0.148 0.000 2.020 152 K HA -0.266 4.054 4.320 -0.000 0.000 0.212 152 K C 2.137 178.751 176.600 0.022 0.000 1.050 152 K CA 1.579 57.782 56.287 -0.140 0.000 0.929 152 K CB -0.155 32.278 32.500 -0.111 0.000 0.714 152 K HN 0.146 nan 8.250 nan 0.000 0.443 153 H N 0.160 119.221 119.070 -0.014 0.000 2.395 153 H HA 0.042 4.597 4.556 -0.001 0.000 0.299 153 H C 1.839 177.193 175.328 0.043 0.000 1.070 153 H CA 1.581 57.642 56.048 0.023 0.000 1.356 153 H CB -0.052 29.719 29.762 0.015 0.000 1.401 153 H HN 0.182 nan 8.280 nan 0.000 0.524 154 L N -0.743 120.449 121.223 -0.052 0.000 2.201 154 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 154 L C 2.013 178.881 176.870 -0.003 0.000 1.105 154 L CA 0.733 55.536 54.840 -0.062 0.000 0.775 154 L CB -0.462 41.643 42.059 0.077 0.000 0.913 154 L HN 0.274 nan 8.230 nan 0.000 0.440 155 F N 1.189 121.051 119.950 -0.147 0.000 2.102 155 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 155 F C 2.475 178.186 175.800 -0.149 0.000 1.105 155 F CA 2.001 59.900 58.000 -0.168 0.000 1.239 155 F CB -0.641 38.166 39.000 -0.321 0.000 0.991 155 F HN -0.031 nan 8.300 nan 0.000 0.474 156 T N 0.241 114.681 114.554 -0.191 0.000 2.665 156 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 156 T C 2.215 176.749 174.700 -0.277 0.000 1.035 156 T CA 1.919 63.899 62.100 -0.200 0.000 1.151 156 T CB -0.927 67.915 68.868 -0.044 0.000 0.862 156 T HN 0.155 nan 8.240 nan 0.000 0.438 157 V N 1.579 121.296 119.914 -0.330 0.000 2.295 157 V HA -0.122 3.998 4.120 -0.000 0.000 0.246 157 V C 2.414 178.362 176.094 -0.243 0.000 1.049 157 V CA 1.511 63.639 62.300 -0.287 0.000 1.024 157 V CB -0.821 30.838 31.823 -0.273 0.000 0.648 157 V HN 0.337 nan 8.190 nan 0.000 0.447 158 L N 0.211 121.309 121.223 -0.208 0.000 2.013 158 L HA -0.156 4.183 4.340 -0.000 0.000 0.212 158 L C 2.339 179.067 176.870 -0.237 0.000 1.073 158 L CA 2.098 56.841 54.840 -0.162 0.000 0.753 158 L CB -0.573 41.417 42.059 -0.115 0.000 0.890 158 L HN 0.131 nan 8.230 nan 0.000 0.432 159 V N -0.231 119.429 119.914 -0.423 0.000 2.358 159 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 159 V C 2.591 178.476 176.094 -0.349 0.000 1.047 159 V CA 1.950 64.038 62.300 -0.352 0.000 1.035 159 V CB -0.784 30.757 31.823 -0.471 0.000 0.658 159 V HN 0.690 nan 8.190 nan 0.000 0.452 160 Q N 0.303 119.757 119.800 -0.575 0.000 2.030 160 Q HA -0.295 4.044 4.340 -0.000 0.000 0.204 160 Q C 2.229 177.923 176.000 -0.510 0.000 0.986 160 Q CA 2.435 57.638 55.803 -0.999 0.000 0.843 160 Q CB -0.136 27.981 28.738 -1.036 0.000 0.904 160 Q HN 0.736 nan 8.270 nan 0.000 0.420 161 E N 0.172 120.181 120.200 -0.319 0.000 2.106 161 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 161 E C 1.999 178.493 176.600 -0.177 0.000 0.984 161 E CA 1.310 57.598 56.400 -0.186 0.000 0.806 161 E CB -0.157 29.480 29.700 -0.105 0.000 0.750 161 E HN 0.436 nan 8.360 nan 0.000 0.458 162 M N 0.828 120.304 119.600 -0.207 0.000 2.086 162 M HA -0.201 4.278 4.480 -0.000 0.000 0.261 162 M C 2.304 178.255 176.300 -0.581 0.000 1.067 162 M CA 1.558 56.630 55.300 -0.380 0.000 1.116 162 M CB 0.092 32.534 32.600 -0.263 0.000 1.348 162 M HN -0.133 nan 8.290 nan 0.000 0.407 163 R N 0.604 120.903 120.500 -0.335 0.000 2.083 163 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 163 R C 1.729 178.000 176.300 -0.049 0.000 1.137 163 R CA 2.497 58.508 56.100 -0.148 0.000 0.951 163 R CB -0.734 29.549 30.300 -0.028 0.000 0.851 163 R HN 0.576 nan 8.270 nan 0.000 0.434 164 E N -0.441 119.705 120.200 -0.089 0.000 2.058 164 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 164 E C 1.942 178.557 176.600 0.025 0.000 0.997 164 E CA 1.484 57.868 56.400 -0.027 0.000 0.801 164 E CB -0.252 29.411 29.700 -0.062 0.000 0.746 164 E HN 0.521 nan 8.360 nan 0.000 0.450 165 A N 0.780 123.604 122.820 0.007 0.000 1.930 165 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 165 A C 1.864 179.601 177.584 0.255 0.000 1.175 165 A CA 0.982 53.074 52.037 0.091 0.000 0.627 165 A CB -0.559 18.482 19.000 0.067 0.000 0.815 165 A HN 0.151 nan 8.150 nan 0.000 0.443 166 F N 0.708 120.676 119.950 0.029 0.000 2.134 166 F HA -0.112 4.415 4.527 -0.001 0.000 0.299 166 F C 2.504 178.320 175.800 0.027 0.000 1.097 166 F CA 1.119 59.137 58.000 0.030 0.000 1.264 166 F CB -0.928 38.097 39.000 0.042 0.000 1.001 166 F HN 0.292 nan 8.300 nan 0.000 0.479 167 E N 0.019 120.356 120.200 0.229 0.000 2.051 167 E HA -0.194 4.155 4.350 -0.000 0.000 0.192 167 E C 2.184 178.842 176.600 0.095 0.000 0.991 167 E CA 1.019 57.498 56.400 0.132 0.000 0.799 167 E CB -0.352 29.408 29.700 0.099 0.000 0.748 167 E HN 0.464 nan 8.360 nan 0.000 0.449 168 Q N 0.447 120.303 119.800 0.093 0.000 2.079 168 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 168 Q C 2.106 178.143 176.000 0.062 0.000 0.974 168 Q CA 0.771 56.614 55.803 0.067 0.000 0.840 168 Q CB -0.282 28.491 28.738 0.059 0.000 0.898 168 Q HN 0.353 nan 8.270 nan 0.000 0.430 169 E N 0.772 121.021 120.200 0.081 0.000 2.118 169 E HA -0.159 4.190 4.350 -0.000 0.000 0.195 169 E C 1.783 178.398 176.600 0.024 0.000 0.992 169 E CA 1.083 57.515 56.400 0.053 0.000 0.804 169 E CB 0.097 29.834 29.700 0.061 0.000 0.741 169 E HN 0.248 nan 8.360 nan 0.000 0.458 170 A N 1.542 124.380 122.820 0.029 0.000 1.940 170 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 170 A C 2.099 179.690 177.584 0.012 0.000 1.176 170 A CA 1.518 53.562 52.037 0.012 0.000 0.631 170 A CB -0.288 18.726 19.000 0.024 0.000 0.814 170 A HN 0.083 nan 8.150 nan 0.000 0.446 171 K N -0.517 119.896 120.400 0.021 0.000 2.217 171 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 171 K C 2.136 178.744 176.600 0.012 0.000 1.051 171 K CA 1.251 57.548 56.287 0.017 0.000 0.952 171 K CB -0.258 32.255 32.500 0.022 0.000 0.736 171 K HN 0.766 nan 8.250 nan 0.000 0.453 172 Q N 1.020 120.828 119.800 0.013 0.000 2.049 172 Q HA -0.071 4.269 4.340 -0.000 0.000 0.198 172 Q C 1.873 177.873 176.000 0.001 0.000 0.971 172 Q CA 1.191 56.999 55.803 0.009 0.000 0.833 172 Q CB 0.117 28.863 28.738 0.014 0.000 0.896 172 Q HN 0.428 nan 8.270 nan 0.000 0.434 173 I N -2.970 117.597 120.570 -0.005 0.000 3.956 173 I HA 0.196 4.366 4.170 -0.000 0.000 0.333 173 I C -0.549 175.559 176.117 -0.015 0.000 1.302 173 I CA -0.289 61.003 61.300 -0.014 0.000 1.122 173 I CB 0.206 38.192 38.000 -0.023 0.000 1.013 173 I HN 0.028 nan 8.210 nan 0.000 0.405 174 N N 2.883 121.578 118.700 -0.009 0.000 2.727 174 N HA -0.167 4.573 4.740 -0.000 0.000 0.251 174 N C -0.727 174.775 175.510 -0.014 0.000 1.040 174 N CA 1.050 54.095 53.050 -0.008 0.000 0.712 174 N CB -0.946 37.536 38.487 -0.008 0.000 0.912 174 N HN 0.683 nan 8.380 nan 0.000 0.545 175 K N -0.289 120.101 120.400 -0.017 0.000 2.482 175 K HA 0.518 4.837 4.320 -0.000 0.000 0.257 175 K C -2.579 174.010 176.600 -0.019 0.000 0.969 175 K CA -1.730 54.543 56.287 -0.023 0.000 0.842 175 K CB 1.664 34.142 32.500 -0.037 0.000 1.359 175 K HN -0.212 nan 8.250 nan 0.000 0.441 176 P HA -0.051 nan 4.420 nan 0.000 0.265 176 P C -0.718 176.569 177.300 -0.021 0.000 1.187 176 P CA 0.003 63.096 63.100 -0.010 0.000 0.766 176 P CB 0.447 32.141 31.700 -0.009 0.000 0.820 177 R N 3.007 123.508 120.500 0.001 0.000 2.640 177 R HA 0.056 4.395 4.340 -0.000 0.000 0.270 177 R C -0.198 176.074 176.300 -0.045 0.000 1.024 177 R CA -0.166 55.936 56.100 0.004 0.000 1.085 177 R CB -0.161 30.181 30.300 0.069 0.000 0.963 177 R HN 0.404 nan 8.270 nan 0.000 0.426 178 L N 4.734 125.847 121.223 -0.185 0.000 2.461 178 L HA 0.104 4.443 4.340 -0.000 0.000 0.272 178 L C 0.710 177.565 176.870 -0.026 0.000 1.197 178 L CA 0.273 54.916 54.840 -0.327 0.000 0.836 178 L CB 0.633 42.083 42.059 -1.015 0.000 1.105 178 L HN 0.622 nan 8.230 nan 0.000 0.477 179 M N 2.570 122.213 119.600 0.072 0.000 2.274 179 M HA 0.360 4.840 4.480 -0.000 0.000 0.344 179 M C -0.586 175.953 176.300 0.399 0.000 1.161 179 M CA -0.305 55.137 55.300 0.237 0.000 1.126 179 M CB 1.882 34.602 32.600 0.200 0.000 1.522 179 M HN 0.317 nan 8.290 nan 0.000 0.461 180 V N 3.076 123.213 119.914 0.372 0.000 2.483 180 V HA 0.722 4.842 4.120 -0.000 0.000 0.297 180 V C -0.466 175.798 176.094 0.283 0.000 1.027 180 V CA -0.072 62.427 62.300 0.333 0.000 0.855 180 V CB 1.876 33.840 31.823 0.235 0.000 0.995 180 V HN 1.029 nan 8.190 nan 0.000 0.424 181 T N 3.611 118.353 114.554 0.313 0.000 2.864 181 T HA 0.957 5.306 4.350 -0.000 0.000 0.289 181 T C -0.502 174.437 174.700 0.397 0.000 1.082 181 T CA -0.372 61.903 62.100 0.291 0.000 1.009 181 T CB 2.053 71.112 68.868 0.318 0.000 1.234 181 T HN 1.694 nan 8.240 nan 0.000 0.526 182 A N 0.293 123.302 122.820 0.316 0.000 2.488 182 A HA 0.870 5.189 4.320 -0.000 0.000 0.298 182 A C -0.285 177.522 177.584 0.372 0.000 1.044 182 A CA -0.673 51.642 52.037 0.464 0.000 0.693 182 A CB 1.211 20.550 19.000 0.566 0.000 1.272 182 A HN 1.579 nan 8.150 nan 0.000 0.402 183 A N 1.223 124.331 122.820 0.481 0.000 2.366 183 A HA 0.648 4.968 4.320 -0.000 0.000 0.272 183 A C 0.288 178.010 177.584 0.231 0.000 1.135 183 A CA 0.196 52.459 52.037 0.377 0.000 0.804 183 A CB -0.093 19.143 19.000 0.393 0.000 1.064 183 A HN 2.190 nan 8.150 nan 0.000 0.499 184 V N -0.510 119.449 119.914 0.074 0.000 3.001 184 V HA 0.909 5.028 4.120 -0.000 0.000 0.314 184 V C 0.395 176.569 176.094 0.132 0.000 1.099 184 V CA -0.684 61.626 62.300 0.017 0.000 0.989 184 V CB 1.033 32.551 31.823 -0.508 0.000 1.040 184 V HN 1.648 nan 8.190 nan 0.000 0.434 185 A N 1.407 124.401 122.820 0.289 0.000 2.483 185 A HA 0.680 5.000 4.320 -0.000 0.000 0.238 185 A C 1.212 178.887 177.584 0.153 0.000 1.070 185 A CA 0.349 52.434 52.037 0.080 0.000 0.770 185 A CB 0.524 19.332 19.000 -0.320 0.000 1.008 185 A HN 2.144 nan 8.150 nan 0.000 0.497 186 A N 2.092 124.932 122.820 0.034 0.000 2.197 186 A HA 0.478 4.798 4.320 -0.000 0.000 0.210 186 A C 1.323 178.913 177.584 0.010 0.000 1.180 186 A CA 0.748 52.822 52.037 0.062 0.000 0.846 186 A CB -0.461 18.523 19.000 -0.027 0.000 0.884 186 A HN 1.477 nan 8.150 nan 0.000 0.487 187 G N 0.347 109.108 108.800 -0.065 0.000 2.378 187 G HA2 0.402 4.362 3.960 -0.000 0.000 0.255 187 G HA3 0.402 4.362 3.960 -0.000 0.000 0.255 187 G C 0.775 175.587 174.900 -0.147 0.000 1.270 187 G CA -0.411 44.635 45.100 -0.089 0.000 0.876 187 G HN 0.045 nan 8.290 nan 0.000 0.521 188 I N 2.794 123.268 120.570 -0.160 0.000 2.179 188 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 188 I C 3.001 178.957 176.117 -0.268 0.000 1.088 188 I CA 1.978 63.078 61.300 -0.333 0.000 1.357 188 I CB -1.248 36.536 38.000 -0.360 0.000 1.051 188 I HN 0.629 nan 8.210 nan 0.000 0.409 189 S N 1.485 117.095 115.700 -0.151 0.000 2.382 189 S HA -0.154 4.316 4.470 -0.000 0.000 0.228 189 S C 1.732 176.239 174.600 -0.156 0.000 1.027 189 S CA 1.176 59.301 58.200 -0.124 0.000 0.991 189 S CB -0.614 62.544 63.200 -0.071 0.000 0.823 189 S HN 0.402 nan 8.310 nan 0.000 0.469 190 N N 2.027 120.612 118.700 -0.192 0.000 2.166 190 N HA 0.082 4.822 4.740 -0.000 0.000 0.186 190 N C 1.746 177.117 175.510 -0.233 0.000 1.019 190 N CA 1.400 54.286 53.050 -0.274 0.000 0.856 190 N CB -0.565 37.633 38.487 -0.481 0.000 0.993 190 N HN 0.485 nan 8.380 nan 0.000 0.426 191 I N 1.444 121.925 120.570 -0.149 0.000 2.179 191 I HA -0.277 3.892 4.170 -0.000 0.000 0.242 191 I C 2.266 178.335 176.117 -0.081 0.000 1.088 191 I CA 1.204 62.489 61.300 -0.025 0.000 1.357 191 I CB -0.205 37.634 38.000 -0.268 0.000 1.051 191 I HN 0.136 nan 8.210 nan 0.000 0.409 192 Q N 0.068 119.780 119.800 -0.147 0.000 2.167 192 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 192 Q C 2.185 178.121 176.000 -0.107 0.000 0.970 192 Q CA 1.869 57.614 55.803 -0.096 0.000 0.855 192 Q CB -0.099 28.588 28.738 -0.085 0.000 0.911 192 Q HN 0.577 nan 8.270 nan 0.000 0.438 193 S N -1.482 114.126 115.700 -0.153 0.000 2.575 193 S HA 0.114 4.584 4.470 -0.000 0.000 0.215 193 S C 1.502 175.938 174.600 -0.273 0.000 0.966 193 S CA 0.314 58.413 58.200 -0.170 0.000 0.911 193 S CB 0.705 63.817 63.200 -0.147 0.000 0.780 193 S HN 0.352 nan 8.310 nan 0.000 0.514 194 G N -0.371 108.185 108.800 -0.408 0.000 2.724 194 G HA2 0.401 4.361 3.960 -0.000 0.000 0.205 194 G HA3 0.401 4.361 3.960 -0.000 0.000 0.205 194 G C -0.222 174.142 174.900 -0.894 0.000 1.112 194 G CA -0.244 44.350 45.100 -0.843 0.000 0.793 194 G HN 0.522 nan 8.290 nan 0.000 0.526 195 Y N 0.345 120.618 120.300 -0.044 0.000 2.457 195 Y HA 0.490 5.040 4.550 -0.000 0.000 0.343 195 Y C -0.549 175.371 175.900 0.033 0.000 0.994 195 Y CA -1.210 56.926 58.100 0.061 0.000 1.031 195 Y CB 1.682 40.253 38.460 0.185 0.000 1.246 195 Y HN -0.051 nan 8.280 nan 0.000 0.449 196 E N 3.639 123.975 120.200 0.225 0.000 1.924 196 E HA 0.221 4.570 4.350 -0.000 0.000 0.261 196 E C 0.405 177.097 176.600 0.155 0.000 1.088 196 E CA -0.007 56.482 56.400 0.148 0.000 0.909 196 E CB 0.476 30.267 29.700 0.152 0.000 1.112 196 E HN 0.719 nan 8.360 nan 0.000 0.425 197 I N 3.226 123.863 120.570 0.113 0.000 2.099 197 I HA -0.203 3.967 4.170 -0.000 0.000 0.239 197 I C -0.751 175.422 176.117 0.093 0.000 1.066 197 I CA 1.090 62.469 61.300 0.130 0.000 1.324 197 I CB -1.170 36.838 38.000 0.013 0.000 1.037 197 I HN 0.320 nan 8.210 nan 0.000 0.401 198 P HA -0.218 nan 4.420 nan 0.000 0.215 198 P C 1.569 178.848 177.300 -0.035 0.000 1.157 198 P CA 1.455 64.554 63.100 -0.002 0.000 0.874 198 P CB 0.018 31.708 31.700 -0.017 0.000 0.790 199 Q N -0.686 119.103 119.800 -0.018 0.000 2.083 199 Q HA -0.109 4.230 4.340 -0.000 0.000 0.198 199 Q C 1.987 177.903 176.000 -0.140 0.000 0.969 199 Q CA 1.169 56.927 55.803 -0.075 0.000 0.838 199 Q CB -1.347 27.416 28.738 0.042 0.000 0.900 199 Q HN 0.056 nan 8.270 nan 0.000 0.436 200 L N -0.081 121.160 121.223 0.030 0.000 2.042 200 L HA -0.125 4.214 4.340 -0.000 0.000 0.210 200 L C 1.961 178.833 176.870 0.003 0.000 1.076 200 L CA 2.055 56.945 54.840 0.083 0.000 0.749 200 L CB -0.697 41.471 42.059 0.182 0.000 0.893 200 L HN 0.126 nan 8.230 nan 0.000 0.432 201 S N -0.754 114.942 115.700 -0.007 0.000 2.474 201 S HA -0.123 4.347 4.470 -0.000 0.000 0.235 201 S C 1.730 176.259 174.600 -0.119 0.000 0.997 201 S CA 0.670 58.858 58.200 -0.021 0.000 0.949 201 S CB -0.252 62.966 63.200 0.030 0.000 0.766 201 S HN 0.531 nan 8.310 nan 0.000 0.517 202 Q N -0.135 119.499 119.800 -0.278 0.000 2.297 202 Q HA 0.053 4.393 4.340 -0.000 0.000 0.204 202 Q C 1.077 176.868 176.000 -0.348 0.000 0.962 202 Q CA 1.151 56.727 55.803 -0.378 0.000 0.879 202 Q CB -0.313 28.099 28.738 -0.543 0.000 0.947 202 Q HN 0.758 nan 8.270 nan 0.000 0.462 203 Y N -0.535 119.751 120.300 -0.022 0.000 2.500 203 Y HA 0.184 4.734 4.550 -0.001 0.000 0.284 203 Y C 0.961 176.850 175.900 -0.018 0.000 1.118 203 Y CA -0.607 57.476 58.100 -0.029 0.000 1.241 203 Y CB 0.439 38.866 38.460 -0.055 0.000 1.171 203 Y HN -0.100 nan 8.280 nan 0.000 0.540 204 L N 1.902 123.192 121.223 0.112 0.000 2.453 204 L HA -0.045 4.294 4.340 -0.000 0.000 0.272 204 L C 0.664 177.529 176.870 -0.010 0.000 1.182 204 L CA -0.063 54.823 54.840 0.076 0.000 0.858 204 L CB 0.555 42.651 42.059 0.061 0.000 1.120 204 L HN 0.299 nan 8.230 nan 0.000 0.474 205 D N 1.651 122.043 120.400 -0.013 0.000 2.137 205 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 205 D C -0.322 175.631 176.300 -0.579 0.000 0.970 205 D CA 1.648 55.518 54.000 -0.216 0.000 0.837 205 D CB 0.226 40.992 40.800 -0.057 0.000 0.981 205 D HN 0.333 nan 8.370 nan 0.000 0.475 206 Y N -0.946 119.356 120.300 0.003 0.000 2.534 206 Y HA 0.446 4.996 4.550 -0.001 0.000 0.345 206 Y C -0.443 175.285 175.900 -0.288 0.000 1.031 206 Y CA -0.880 57.150 58.100 -0.116 0.000 1.022 206 Y CB 2.056 40.461 38.460 -0.091 0.000 1.292 206 Y HN -0.338 nan 8.280 nan 0.000 0.459 207 I N 2.778 123.270 120.570 -0.130 0.000 2.390 207 I HA 0.271 4.440 4.170 -0.000 0.000 0.283 207 I C -0.994 174.982 176.117 -0.235 0.000 1.016 207 I CA -0.502 60.647 61.300 -0.252 0.000 1.151 207 I CB 0.796 38.613 38.000 -0.304 0.000 1.293 207 I HN 0.624 nan 8.210 nan 0.000 0.458 208 H N 5.164 124.256 119.070 0.035 0.000 2.872 208 H HA 0.318 4.874 4.556 -0.001 0.000 0.273 208 H C -0.452 174.846 175.328 -0.051 0.000 1.205 208 H CA -0.753 55.349 56.048 0.091 0.000 1.342 208 H CB 0.580 30.526 29.762 0.306 0.000 1.469 208 H HN 0.260 nan 8.280 nan 0.000 0.487 209 V N 4.813 124.677 119.914 -0.084 0.000 2.455 209 V HA -0.006 4.113 4.120 -0.000 0.000 0.273 209 V C 0.836 176.827 176.094 -0.171 0.000 1.045 209 V CA -0.157 61.998 62.300 -0.243 0.000 0.976 209 V CB 0.677 32.264 31.823 -0.393 0.000 0.993 209 V HN 0.877 nan 8.190 nan 0.000 0.475 210 M N 4.429 123.883 119.600 -0.243 0.000 3.596 210 M HA 0.082 4.562 4.480 -0.000 0.000 0.219 210 M C 0.722 176.553 176.300 -0.782 0.000 1.471 210 M CA -0.085 54.831 55.300 -0.640 0.000 1.644 210 M CB -0.322 31.998 32.600 -0.467 0.000 1.083 210 M HN 0.794 nan 8.290 nan 0.000 0.579 211 T N -0.275 113.955 114.554 -0.541 0.000 4.309 211 T HA 0.264 4.613 4.350 -0.000 0.000 0.242 211 T C -0.530 174.065 174.700 -0.175 0.000 1.142 211 T CA -0.248 61.680 62.100 -0.288 0.000 1.042 211 T CB -1.120 67.638 68.868 -0.182 0.000 1.366 211 T HN 0.497 nan 8.240 nan 0.000 0.942 212 Y N -2.795 117.533 120.300 0.046 0.000 2.744 212 Y HA 0.548 5.098 4.550 -0.001 0.000 0.330 212 Y C -0.215 175.788 175.900 0.171 0.000 1.263 212 Y CA -1.974 56.180 58.100 0.090 0.000 1.065 212 Y CB 0.153 38.683 38.460 0.117 0.000 1.306 212 Y HN 0.135 nan 8.280 nan 0.000 0.459 213 D N 0.301 121.031 120.400 0.549 0.000 2.837 213 D HA -0.183 4.456 4.640 -0.000 0.000 0.230 213 D C 0.738 177.253 176.300 0.358 0.000 1.152 213 D CA 1.070 55.405 54.000 0.559 0.000 0.736 213 D CB -1.022 40.076 40.800 0.497 0.000 1.084 213 D HN 0.733 nan 8.370 nan 0.000 0.429 214 L N -0.687 120.655 121.223 0.198 0.000 2.291 214 L HA -0.072 4.268 4.340 -0.000 0.000 0.214 214 L C 1.109 177.812 176.870 -0.277 0.000 1.120 214 L CA 1.096 55.922 54.840 -0.023 0.000 0.799 214 L CB -0.074 41.944 42.059 -0.067 0.000 0.925 214 L HN 0.229 nan 8.230 nan 0.000 0.446 215 H N -1.429 117.697 119.070 0.093 0.000 2.980 215 H HA 0.675 5.230 4.556 -0.000 0.000 0.367 215 H C -0.429 174.544 175.328 -0.592 0.000 1.206 215 H CA -0.167 55.797 56.048 -0.139 0.000 1.126 215 H CB 2.202 31.929 29.762 -0.058 0.000 1.838 215 H HN -0.026 nan 8.280 nan 0.000 0.552 216 G N -0.572 107.513 108.800 -1.192 0.000 2.550 216 G HA2 0.225 4.185 3.960 -0.000 0.000 0.293 216 G HA3 0.225 4.185 3.960 -0.000 0.000 0.293 216 G C 0.502 174.525 174.900 -1.462 0.000 1.402 216 G CA -0.038 43.860 45.100 -2.003 0.000 0.784 216 G HN 0.488 nan 8.290 nan 0.000 0.482 217 S N -1.243 113.689 115.700 -1.281 0.000 2.442 217 S HA -0.144 4.326 4.470 -0.000 0.000 0.236 217 S C 1.898 176.286 174.600 -0.354 0.000 1.007 217 S CA 1.959 59.761 58.200 -0.662 0.000 0.965 217 S CB -0.680 62.179 63.200 -0.568 0.000 0.773 217 S HN 1.095 nan 8.310 nan 0.000 0.504 218 W N 1.857 123.019 121.300 -0.229 0.000 2.468 218 W HA 0.199 4.858 4.660 -0.001 0.000 0.262 218 W C 1.394 177.801 176.519 -0.187 0.000 1.241 218 W CA 0.608 57.849 57.345 -0.172 0.000 1.232 218 W CB -0.554 28.817 29.460 -0.147 0.000 1.124 218 W HN 0.285 nan 8.180 nan 0.000 0.597 219 E N 0.130 120.050 120.200 -0.467 0.000 2.318 219 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 219 E C 1.939 178.134 176.600 -0.675 0.000 0.998 219 E CA 0.624 56.681 56.400 -0.571 0.000 0.859 219 E CB -0.232 28.922 29.700 -0.910 0.000 0.812 219 E HN 0.400 nan 8.360 nan 0.000 0.492 220 G N 1.002 109.523 108.800 -0.466 0.000 2.141 220 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.242 220 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.242 220 G C -0.274 174.509 174.900 -0.196 0.000 0.982 220 G CA 0.687 45.636 45.100 -0.251 0.000 0.662 220 G HN 0.301 nan 8.290 nan 0.000 0.527 221 Y N -1.850 118.357 120.300 -0.155 0.000 2.624 221 Y HA 0.711 5.261 4.550 -0.001 0.000 0.334 221 Y C 0.198 175.758 175.900 -0.566 0.000 1.155 221 Y CA -1.228 56.677 58.100 -0.326 0.000 1.046 221 Y CB 0.087 38.350 38.460 -0.328 0.000 1.316 221 Y HN 0.650 nan 8.280 nan 0.000 0.457 222 T N -0.479 113.600 114.554 -0.791 0.000 2.932 222 T HA 0.634 4.984 4.350 -0.000 0.000 0.312 222 T C 0.249 174.310 174.700 -1.065 0.000 1.071 222 T CA 0.500 61.605 62.100 -1.659 0.000 1.128 222 T CB 0.674 68.132 68.868 -2.351 0.000 0.984 222 T HN 1.663 nan 8.240 nan 0.000 0.549 223 G N 1.053 109.277 108.800 -0.960 0.000 2.547 223 G HA2 0.479 4.438 3.960 -0.000 0.000 0.291 223 G HA3 0.479 4.438 3.960 -0.000 0.000 0.291 223 G C -1.448 173.428 174.900 -0.040 0.000 1.471 223 G CA -0.870 43.887 45.100 -0.572 0.000 0.798 223 G HN 0.666 nan 8.290 nan 0.000 0.504 224 E N 0.113 120.326 120.200 0.021 0.000 2.313 224 E HA 0.155 4.505 4.350 -0.000 0.000 0.272 224 E C 0.785 177.571 176.600 0.309 0.000 1.038 224 E CA -0.668 55.859 56.400 0.211 0.000 0.863 224 E CB 2.114 31.875 29.700 0.102 0.000 1.060 224 E HN 0.518 nan 8.360 nan 0.000 0.402 225 N N 0.892 119.758 118.700 0.276 0.000 2.106 225 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 225 N C 0.324 175.947 175.510 0.188 0.000 1.029 225 N CA 1.003 54.223 53.050 0.284 0.000 0.848 225 N CB 0.308 38.918 38.487 0.205 0.000 1.007 225 N HN 0.197 nan 8.380 nan 0.000 0.423 226 S N 0.361 116.120 115.700 0.097 0.000 2.359 226 S HA 0.368 4.838 4.470 -0.000 0.000 0.148 226 S C -2.913 171.648 174.600 -0.065 0.000 1.610 226 S CA -1.291 56.916 58.200 0.013 0.000 1.274 226 S CB 0.364 63.554 63.200 -0.016 0.000 1.380 226 S HN 0.105 nan 8.310 nan 0.000 0.380 227 P HA 0.132 nan 4.420 nan 0.000 0.276 227 P C 0.938 178.115 177.300 -0.205 0.000 1.230 227 P CA -0.537 62.514 63.100 -0.081 0.000 0.776 227 P CB 1.009 32.724 31.700 0.025 0.000 0.888 228 L N 3.885 124.898 121.223 -0.350 0.000 2.027 228 L HA 0.017 4.357 4.340 -0.000 0.000 0.206 228 L C 0.294 176.750 176.870 -0.690 0.000 1.074 228 L CA 1.843 56.266 54.840 -0.694 0.000 0.745 228 L CB -0.903 40.582 42.059 -0.955 0.000 0.898 228 L HN 0.271 nan 8.230 nan 0.000 0.433 229 Y N -0.710 119.517 120.300 -0.122 0.000 2.630 229 Y HA 0.417 4.967 4.550 -0.001 0.000 0.337 229 Y C 0.194 176.105 175.900 0.018 0.000 1.051 229 Y CA -1.733 56.343 58.100 -0.041 0.000 1.121 229 Y CB 0.517 38.967 38.460 -0.017 0.000 1.299 229 Y HN -0.031 nan 8.280 nan 0.000 0.498 230 K N -0.057 120.485 120.400 0.237 0.000 2.276 230 K HA 0.131 4.451 4.320 -0.000 0.000 0.259 230 K C -1.103 175.595 176.600 0.163 0.000 1.001 230 K CA -0.411 55.977 56.287 0.168 0.000 0.927 230 K CB 0.429 33.001 32.500 0.120 0.000 0.969 230 K HN 0.643 nan 8.250 nan 0.000 0.490 231 Y N 2.455 122.764 120.300 0.014 0.000 2.309 231 Y HA 0.145 4.695 4.550 -0.001 0.000 0.327 231 Y C -1.829 174.051 175.900 -0.032 0.000 1.172 231 Y CA -1.983 56.101 58.100 -0.027 0.000 1.280 231 Y CB 1.227 39.638 38.460 -0.081 0.000 1.234 231 Y HN 0.584 nan 8.280 nan 0.000 0.512 232 P HA -0.202 nan 4.420 nan 0.000 0.218 232 P C 1.052 178.261 177.300 -0.151 0.000 1.146 232 P CA 2.585 65.510 63.100 -0.290 0.000 0.820 232 P CB 0.052 31.512 31.700 -0.399 0.000 0.778 233 T N -5.928 108.578 114.554 -0.080 0.000 3.107 233 T HA 0.059 4.408 4.350 -0.000 0.000 0.249 233 T C 0.419 175.124 174.700 0.008 0.000 1.096 233 T CA -0.208 61.893 62.100 0.001 0.000 1.012 233 T CB -0.669 68.231 68.868 0.054 0.000 0.977 233 T HN -0.092 nan 8.240 nan 0.000 0.527 234 D N 3.938 124.360 120.400 0.036 0.000 2.382 234 D HA 0.257 4.897 4.640 -0.000 0.000 0.259 234 D C 0.594 176.862 176.300 -0.054 0.000 1.224 234 D CA 0.531 54.529 54.000 -0.003 0.000 0.894 234 D CB 1.010 41.830 40.800 0.033 0.000 1.127 234 D HN 0.594 nan 8.370 nan 0.000 0.487 235 T N -1.190 113.311 114.554 -0.088 0.000 2.930 235 T HA 0.700 5.050 4.350 -0.000 0.000 0.290 235 T C 0.868 175.461 174.700 -0.178 0.000 1.052 235 T CA -0.239 61.795 62.100 -0.109 0.000 1.017 235 T CB 2.011 70.830 68.868 -0.081 0.000 1.137 235 T HN 0.465 nan 8.240 nan 0.000 0.511 236 G N 1.776 110.457 108.800 -0.198 0.000 2.611 236 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.301 236 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.301 236 G C 1.225 175.766 174.900 -0.598 0.000 1.233 236 G CA 1.576 46.513 45.100 -0.272 0.000 0.993 236 G HN 2.016 nan 8.290 nan 0.000 0.553 237 S N 0.460 115.829 115.700 -0.552 0.000 2.453 237 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 237 S C 1.824 176.054 174.600 -0.617 0.000 1.005 237 S CA 1.572 59.283 58.200 -0.815 0.000 0.949 237 S CB -0.172 62.854 63.200 -0.290 0.000 0.774 237 S HN 0.625 nan 8.310 nan 0.000 0.510 238 N N 2.635 121.125 118.700 -0.350 0.000 2.364 238 N HA 0.077 4.817 4.740 -0.000 0.000 0.183 238 N C 1.643 177.040 175.510 -0.188 0.000 1.022 238 N CA 1.198 54.145 53.050 -0.171 0.000 0.883 238 N CB -0.619 37.826 38.487 -0.069 0.000 0.965 238 N HN 0.663 nan 8.380 nan 0.000 0.438 239 A N -0.184 122.425 122.820 -0.351 0.000 2.209 239 A HA -0.061 4.259 4.320 -0.000 0.000 0.212 239 A C 0.858 178.312 177.584 -0.216 0.000 1.158 239 A CA 0.544 52.438 52.037 -0.239 0.000 0.742 239 A CB -0.437 18.426 19.000 -0.229 0.000 0.790 239 A HN 0.209 nan 8.150 nan 0.000 0.472 240 Y N -0.816 119.263 120.300 -0.368 0.000 2.482 240 Y HA 0.288 4.838 4.550 -0.000 0.000 0.270 240 Y C 0.848 176.653 175.900 -0.159 0.000 1.152 240 Y CA -0.723 57.053 58.100 -0.540 0.000 1.292 240 Y CB -0.515 37.626 38.460 -0.531 0.000 1.070 240 Y HN 0.142 nan 8.280 nan 0.000 0.528 241 L N 2.757 123.989 121.223 0.016 0.000 2.727 241 L HA 0.186 4.526 4.340 -0.000 0.000 0.237 241 L C -0.583 176.305 176.870 0.030 0.000 1.370 241 L CA -0.118 54.710 54.840 -0.020 0.000 1.248 241 L CB -1.132 40.826 42.059 -0.168 0.000 1.556 241 L HN 0.296 nan 8.230 nan 0.000 0.420 242 N N -3.103 115.637 118.700 0.068 0.000 2.598 242 N HA 0.264 5.003 4.740 -0.000 0.000 0.263 242 N C 0.309 175.816 175.510 -0.005 0.000 1.254 242 N CA -0.980 52.088 53.050 0.029 0.000 0.863 242 N CB 1.291 39.816 38.487 0.064 0.000 1.586 242 N HN -0.243 nan 8.380 nan 0.000 0.491 243 V N -0.055 119.761 119.914 -0.164 0.000 2.287 243 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 243 V C 1.897 177.867 176.094 -0.205 0.000 1.053 243 V CA 2.462 64.609 62.300 -0.254 0.000 1.027 243 V CB -0.865 30.663 31.823 -0.491 0.000 0.646 243 V HN 0.954 nan 8.190 nan 0.000 0.447 244 D N -0.782 119.435 120.400 -0.305 0.000 2.106 244 D HA -0.291 4.349 4.640 -0.000 0.000 0.191 244 D C 2.045 178.524 176.300 0.299 0.000 0.997 244 D CA 2.093 56.101 54.000 0.014 0.000 0.834 244 D CB -0.343 40.535 40.800 0.130 0.000 0.956 244 D HN 0.533 nan 8.370 nan 0.000 0.448 245 Y N 0.164 120.566 120.300 0.170 0.000 2.163 245 Y HA -0.140 4.410 4.550 -0.000 0.000 0.288 245 Y C 2.344 178.367 175.900 0.204 0.000 1.136 245 Y CA 1.640 59.862 58.100 0.204 0.000 1.147 245 Y CB -0.295 38.283 38.460 0.196 0.000 0.987 245 Y HN -0.073 nan 8.280 nan 0.000 0.509 246 V N 0.053 120.161 119.914 0.324 0.000 2.261 246 V HA -0.366 3.753 4.120 -0.000 0.000 0.246 246 V C 2.352 178.632 176.094 0.310 0.000 1.047 246 V CA 2.051 64.520 62.300 0.281 0.000 1.015 246 V CB -0.656 31.287 31.823 0.200 0.000 0.642 246 V HN 0.423 nan 8.190 nan 0.000 0.446 247 M N 0.054 119.785 119.600 0.219 0.000 2.159 247 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 247 M C 2.017 178.516 176.300 0.332 0.000 1.063 247 M CA 1.458 56.850 55.300 0.153 0.000 1.110 247 M CB -1.628 30.900 32.600 -0.120 0.000 1.374 247 M HN 0.413 nan 8.290 nan 0.000 0.411 248 N N -0.666 118.230 118.700 0.327 0.000 2.270 248 N HA -0.154 4.585 4.740 -0.000 0.000 0.181 248 N C 1.766 177.313 175.510 0.062 0.000 1.016 248 N CA 0.875 54.066 53.050 0.236 0.000 0.870 248 N CB -0.278 38.313 38.487 0.174 0.000 0.979 248 N HN 0.400 nan 8.380 nan 0.000 0.431 249 Y N 0.076 120.294 120.300 -0.136 0.000 2.145 249 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 249 Y C 1.933 177.759 175.900 -0.123 0.000 1.145 249 Y CA 1.686 59.648 58.100 -0.229 0.000 1.148 249 Y CB -0.382 37.894 38.460 -0.307 0.000 0.981 249 Y HN 0.024 nan 8.280 nan 0.000 0.507 250 W N 0.723 122.101 121.300 0.130 0.000 2.358 250 W HA -0.148 4.511 4.660 -0.000 0.000 0.303 250 W C 2.660 179.190 176.519 0.019 0.000 1.208 250 W CA 1.943 59.334 57.345 0.078 0.000 1.274 250 W CB -0.380 29.126 29.460 0.077 0.000 1.138 250 W HN -0.080 nan 8.180 nan 0.000 0.515 251 K N 0.256 120.836 120.400 0.300 0.000 2.009 251 K HA -0.203 4.116 4.320 -0.000 0.000 0.210 251 K C 1.481 178.103 176.600 0.037 0.000 1.049 251 K CA 2.007 58.414 56.287 0.200 0.000 0.929 251 K CB -0.342 32.306 32.500 0.248 0.000 0.714 251 K HN -0.059 nan 8.250 nan 0.000 0.440 252 D N 0.252 120.618 120.400 -0.057 0.000 2.264 252 D HA -0.102 4.538 4.640 -0.000 0.000 0.208 252 D C 0.864 177.042 176.300 -0.203 0.000 0.966 252 D CA 0.862 54.775 54.000 -0.145 0.000 0.864 252 D CB -0.067 40.605 40.800 -0.212 0.000 0.933 252 D HN 0.246 nan 8.370 nan 0.000 0.499 253 N N -0.717 117.827 118.700 -0.260 0.000 2.214 253 N HA 0.182 4.921 4.740 -0.000 0.000 0.214 253 N C 0.936 176.371 175.510 -0.125 0.000 1.132 253 N CA 0.429 53.313 53.050 -0.275 0.000 0.856 253 N CB 1.900 40.076 38.487 -0.517 0.000 1.020 253 N HN 0.199 nan 8.380 nan 0.000 0.509 254 G N -0.033 108.741 108.800 -0.043 0.000 2.273 254 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.162 254 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.162 254 G C -0.093 174.843 174.900 0.060 0.000 1.006 254 G CA -0.066 45.035 45.100 0.001 0.000 0.704 254 G HN 0.421 nan 8.290 nan 0.000 0.487 255 A N 1.074 123.976 122.820 0.136 0.000 2.260 255 A HA 0.790 5.109 4.320 -0.000 0.000 0.308 255 A C -2.244 175.416 177.584 0.125 0.000 1.254 255 A CA -1.416 50.724 52.037 0.173 0.000 0.874 255 A CB 0.696 19.896 19.000 0.333 0.000 1.153 255 A HN 0.059 nan 8.150 nan 0.000 0.527 256 P HA 0.155 nan 4.420 nan 0.000 0.264 256 P C 1.002 178.356 177.300 0.090 0.000 1.193 256 P CA 0.513 63.641 63.100 0.046 0.000 0.763 256 P CB 1.043 32.747 31.700 0.006 0.000 0.810 257 A N 3.801 126.663 122.820 0.070 0.000 1.927 257 A HA -0.271 4.048 4.320 -0.000 0.000 0.220 257 A C 2.109 179.786 177.584 0.155 0.000 1.185 257 A CA 2.056 54.150 52.037 0.095 0.000 0.639 257 A CB -1.139 17.777 19.000 -0.139 0.000 0.820 257 A HN 0.534 nan 8.150 nan 0.000 0.451 258 E N 0.051 120.296 120.200 0.075 0.000 2.204 258 E HA -0.112 4.238 4.350 -0.000 0.000 0.195 258 E C 1.795 178.489 176.600 0.157 0.000 0.990 258 E CA 1.489 57.944 56.400 0.092 0.000 0.821 258 E CB -0.166 29.549 29.700 0.024 0.000 0.750 258 E HN 0.653 nan 8.360 nan 0.000 0.477 259 K N -0.602 119.863 120.400 0.108 0.000 2.361 259 K HA 0.127 4.447 4.320 -0.000 0.000 0.196 259 K C 0.025 176.729 176.600 0.173 0.000 1.039 259 K CA -0.026 56.312 56.287 0.086 0.000 1.001 259 K CB 0.259 32.734 32.500 -0.042 0.000 0.795 259 K HN 0.136 nan 8.250 nan 0.000 0.495 260 L N 2.700 124.040 121.223 0.196 0.000 2.313 260 L HA 0.189 4.528 4.340 -0.000 0.000 0.282 260 L C -0.347 176.628 176.870 0.175 0.000 1.092 260 L CA -0.349 54.578 54.840 0.145 0.000 0.831 260 L CB 0.650 42.845 42.059 0.227 0.000 1.159 260 L HN -0.035 nan 8.230 nan 0.000 0.442 261 I N 4.533 125.163 120.570 0.100 0.000 2.406 261 I HA 0.279 4.448 4.170 -0.000 0.000 0.290 261 I C 0.111 176.293 176.117 0.109 0.000 0.999 261 I CA -0.637 60.761 61.300 0.163 0.000 1.124 261 I CB 1.768 39.930 38.000 0.270 0.000 1.289 261 I HN 0.136 nan 8.210 nan 0.000 0.441 262 V N 5.093 125.091 119.914 0.139 0.000 2.530 262 V HA 0.371 4.490 4.120 -0.000 0.000 0.282 262 V C 1.063 177.309 176.094 0.253 0.000 1.048 262 V CA -0.502 61.865 62.300 0.112 0.000 0.997 262 V CB 1.192 33.118 31.823 0.171 0.000 0.987 262 V HN 0.934 nan 8.190 nan 0.000 0.477 263 G N 4.030 112.904 108.800 0.123 0.000 2.364 263 G HA2 0.472 4.432 3.960 -0.000 0.000 0.267 263 G HA3 0.472 4.432 3.960 -0.000 0.000 0.267 263 G C -0.986 174.052 174.900 0.231 0.000 1.233 263 G CA -0.105 45.169 45.100 0.291 0.000 0.885 263 G HN 0.434 nan 8.290 nan 0.000 0.490 264 F N 4.111 124.179 119.950 0.198 0.000 2.427 264 F HA 0.406 4.933 4.527 -0.000 0.000 0.348 264 F C -1.916 173.993 175.800 0.181 0.000 1.125 264 F CA -2.471 55.514 58.000 -0.025 0.000 0.989 264 F CB 3.089 41.807 39.000 -0.471 0.000 1.165 264 F HN 0.257 nan 8.300 nan 0.000 0.442 265 P HA 0.193 nan 4.420 nan 0.000 0.297 265 P C 0.064 177.544 177.300 0.300 0.000 1.319 265 P CA -0.537 62.640 63.100 0.129 0.000 0.810 265 P CB 1.210 32.712 31.700 -0.329 0.000 0.947 266 T N 0.713 115.475 114.554 0.347 0.000 3.330 266 T HA 0.304 4.653 4.350 -0.000 0.000 0.249 266 T C 0.196 175.067 174.700 0.285 0.000 0.980 266 T CA -0.219 62.024 62.100 0.239 0.000 0.920 266 T CB -1.339 67.657 68.868 0.213 0.000 1.065 266 T HN 0.509 nan 8.240 nan 0.000 0.588 267 Y N -2.463 117.920 120.300 0.138 0.000 2.670 267 Y HA 0.811 5.361 4.550 -0.001 0.000 0.334 267 Y C -0.242 175.739 175.900 0.136 0.000 1.185 267 Y CA -1.821 56.342 58.100 0.104 0.000 1.053 267 Y CB 0.872 39.349 38.460 0.027 0.000 1.298 267 Y HN 0.144 nan 8.280 nan 0.000 0.459 268 G N -0.169 108.714 108.800 0.138 0.000 2.730 268 G HA2 0.484 4.444 3.960 -0.000 0.000 0.289 268 G HA3 0.484 4.444 3.960 -0.000 0.000 0.289 268 G C -2.042 172.888 174.900 0.051 0.000 1.341 268 G CA -1.030 44.117 45.100 0.079 0.000 0.932 268 G HN 0.753 nan 8.290 nan 0.000 0.481 269 H N 0.609 119.800 119.070 0.202 0.000 2.458 269 H HA 0.314 4.870 4.556 -0.001 0.000 0.330 269 H C -0.161 175.167 175.328 -0.000 0.000 1.111 269 H CA -0.340 55.737 56.048 0.049 0.000 1.245 269 H CB 1.912 31.655 29.762 -0.032 0.000 1.456 269 H HN 0.636 nan 8.280 nan 0.000 0.488 270 N N 1.776 120.363 118.700 -0.189 0.000 2.432 270 N HA 0.413 5.153 4.740 -0.000 0.000 0.292 270 N C -1.245 174.065 175.510 -0.335 0.000 1.193 270 N CA -0.485 52.446 53.050 -0.198 0.000 0.878 270 N CB 1.256 39.286 38.487 -0.762 0.000 1.252 270 N HN 0.194 nan 8.380 nan 0.000 0.520 271 F N -1.092 118.824 119.950 -0.056 0.000 2.631 271 F HA 0.474 5.001 4.527 -0.001 0.000 0.308 271 F C -0.544 175.246 175.800 -0.017 0.000 1.097 271 F CA -1.039 56.936 58.000 -0.042 0.000 0.952 271 F CB 1.450 40.429 39.000 -0.034 0.000 1.307 271 F HN 0.196 nan 8.300 nan 0.000 0.450 272 I N 3.505 124.163 120.570 0.146 0.000 2.315 272 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 272 I C -0.173 175.997 176.117 0.088 0.000 1.006 272 I CA -0.554 60.812 61.300 0.109 0.000 1.265 272 I CB 0.933 38.967 38.000 0.056 0.000 1.387 272 I HN 0.411 nan 8.210 nan 0.000 0.475 273 L N 5.620 126.897 121.223 0.090 0.000 2.418 273 L HA 0.117 4.456 4.340 -0.000 0.000 0.274 273 L C 1.621 178.495 176.870 0.006 0.000 1.135 273 L CA 0.039 54.887 54.840 0.013 0.000 0.870 273 L CB 0.621 42.697 42.059 0.029 0.000 1.154 273 L HN 0.642 nan 8.230 nan 0.000 0.462 274 S N 1.798 117.481 115.700 -0.028 0.000 2.399 274 S HA -0.111 4.358 4.470 -0.000 0.000 0.231 274 S C 0.781 175.371 174.600 -0.017 0.000 1.022 274 S CA 1.181 59.369 58.200 -0.020 0.000 0.983 274 S CB -0.211 62.968 63.200 -0.034 0.000 0.803 274 S HN 0.686 nan 8.310 nan 0.000 0.480 275 N N 0.328 119.008 118.700 -0.033 0.000 2.576 275 N HA 0.283 5.023 4.740 -0.000 0.000 0.269 275 N C -2.454 173.043 175.510 -0.021 0.000 1.058 275 N CA -2.115 50.920 53.050 -0.024 0.000 0.860 275 N CB 1.644 40.108 38.487 -0.038 0.000 1.249 275 N HN -0.136 nan 8.380 nan 0.000 0.525 276 P HA -0.129 nan 4.420 nan 0.000 0.223 276 P C 0.877 178.185 177.300 0.013 0.000 1.144 276 P CA 1.004 64.128 63.100 0.040 0.000 0.783 276 P CB 0.223 31.968 31.700 0.076 0.000 0.771 277 S N -2.289 113.409 115.700 -0.003 0.000 2.527 277 S HA -0.001 4.469 4.470 -0.000 0.000 0.222 277 S C 0.960 175.531 174.600 -0.049 0.000 0.985 277 S CA -0.114 58.081 58.200 -0.009 0.000 0.921 277 S CB -0.835 62.367 63.200 0.003 0.000 0.772 277 S HN -0.004 nan 8.310 nan 0.000 0.529 278 N N 2.068 120.719 118.700 -0.082 0.000 2.501 278 N HA 0.295 5.035 4.740 -0.000 0.000 0.245 278 N C 0.052 175.444 175.510 -0.198 0.000 0.974 278 N CA 0.063 53.037 53.050 -0.126 0.000 0.941 278 N CB 1.672 40.081 38.487 -0.129 0.000 1.122 278 N HN 0.320 nan 8.380 nan 0.000 0.507 279 T N -0.523 113.900 114.554 -0.218 0.000 3.145 279 T HA 0.372 4.721 4.350 -0.000 0.000 0.281 279 T C 0.860 175.496 174.700 -0.107 0.000 1.003 279 T CA -0.444 61.503 62.100 -0.256 0.000 0.901 279 T CB -0.072 68.361 68.868 -0.724 0.000 1.112 279 T HN 0.281 nan 8.240 nan 0.000 0.535 280 G N 1.537 110.212 108.800 -0.209 0.000 2.563 280 G HA2 0.541 4.501 3.960 -0.000 0.000 0.283 280 G HA3 0.541 4.501 3.960 -0.000 0.000 0.283 280 G C -0.095 174.482 174.900 -0.538 0.000 1.309 280 G CA -0.903 44.053 45.100 -0.240 0.000 1.022 280 G HN 0.354 nan 8.290 nan 0.000 0.501 281 I N 1.008 121.228 120.570 -0.584 0.000 2.598 281 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 281 I C 1.531 177.187 176.117 -0.768 0.000 1.140 281 I CA 1.571 62.372 61.300 -0.832 0.000 1.420 281 I CB 0.074 37.365 38.000 -1.182 0.000 1.387 281 I HN 1.009 nan 8.210 nan 0.000 0.553 282 G N 4.823 113.172 108.800 -0.751 0.000 2.141 282 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.242 282 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.242 282 G C 0.475 175.088 174.900 -0.479 0.000 0.982 282 G CA 0.066 44.799 45.100 -0.612 0.000 0.662 282 G HN 1.021 nan 8.290 nan 0.000 0.527 283 A N 1.071 123.570 122.820 -0.534 0.000 2.440 283 A HA 0.668 4.987 4.320 -0.000 0.000 0.251 283 A C -1.148 176.239 177.584 -0.329 0.000 1.089 283 A CA -0.715 51.072 52.037 -0.418 0.000 0.779 283 A CB 0.351 19.057 19.000 -0.489 0.000 1.022 283 A HN 0.250 nan 8.150 nan 0.000 0.492 284 P HA 0.159 nan 4.420 nan 0.000 0.266 284 P C -0.090 177.130 177.300 -0.132 0.000 1.195 284 P CA 0.408 63.437 63.100 -0.119 0.000 0.768 284 P CB 0.568 32.217 31.700 -0.084 0.000 0.838 285 T N -2.024 112.479 114.554 -0.085 0.000 2.907 285 T HA 0.461 4.811 4.350 -0.000 0.000 0.292 285 T C 0.767 175.456 174.700 -0.019 0.000 1.043 285 T CA -0.604 61.469 62.100 -0.045 0.000 1.003 285 T CB 1.256 70.139 68.868 0.026 0.000 1.084 285 T HN 0.306 nan 8.240 nan 0.000 0.483 286 S N -0.396 115.303 115.700 -0.002 0.000 2.539 286 S HA 0.642 5.111 4.470 -0.000 0.000 0.221 286 S C 0.934 175.530 174.600 -0.005 0.000 0.987 286 S CA -0.047 58.151 58.200 -0.004 0.000 0.929 286 S CB -0.122 63.080 63.200 0.002 0.000 0.832 286 S HN 1.674 nan 8.310 nan 0.000 0.492 287 G N 0.394 109.189 108.800 -0.009 0.000 2.337 287 G HA2 0.483 4.442 3.960 -0.000 0.000 0.298 287 G HA3 0.483 4.442 3.960 -0.000 0.000 0.298 287 G C -1.022 173.836 174.900 -0.070 0.000 1.335 287 G CA -0.516 44.565 45.100 -0.032 0.000 0.875 287 G HN 0.714 nan 8.290 nan 0.000 0.579 288 A N -0.505 122.252 122.820 -0.106 0.000 2.462 288 A HA 0.667 4.986 4.320 -0.000 0.000 0.243 288 A C 1.280 178.774 177.584 -0.150 0.000 1.076 288 A CA 1.031 52.959 52.037 -0.181 0.000 0.773 288 A CB 0.062 18.983 19.000 -0.131 0.000 1.010 288 A HN 2.215 nan 8.150 nan 0.000 0.493 289 G N 1.393 110.057 108.800 -0.226 0.000 2.684 289 G HA2 0.477 4.436 3.960 -0.000 0.000 0.255 289 G HA3 0.477 4.436 3.960 -0.000 0.000 0.255 289 G C -2.414 172.337 174.900 -0.249 0.000 1.219 289 G CA -0.963 43.993 45.100 -0.241 0.000 0.901 289 G HN 0.634 nan 8.290 nan 0.000 0.548 290 P HA 0.343 nan 4.420 nan 0.000 0.278 290 P C -0.182 177.086 177.300 -0.053 0.000 1.238 290 P CA -0.184 62.887 63.100 -0.049 0.000 0.794 290 P CB 1.117 32.878 31.700 0.101 0.000 0.955 291 A N 2.941 125.783 122.820 0.037 0.000 2.462 291 A HA 0.488 4.807 4.320 -0.000 0.000 0.243 291 A C 1.034 178.801 177.584 0.304 0.000 1.076 291 A CA 0.279 52.386 52.037 0.117 0.000 0.773 291 A CB -0.608 18.442 19.000 0.084 0.000 1.010 291 A HN 0.637 nan 8.150 nan 0.000 0.493 292 G N 0.792 109.854 108.800 0.435 0.000 2.599 292 G HA2 0.473 4.433 3.960 -0.000 0.000 0.264 292 G HA3 0.473 4.433 3.960 -0.000 0.000 0.264 292 G C -1.447 173.543 174.900 0.149 0.000 1.200 292 G CA -0.812 44.479 45.100 0.317 0.000 0.896 292 G HN 0.522 nan 8.290 nan 0.000 0.536 293 P HA 0.028 nan 4.420 nan 0.000 0.241 293 P C 0.227 177.438 177.300 -0.148 0.000 1.191 293 P CA 0.909 63.958 63.100 -0.084 0.000 0.771 293 P CB 0.190 31.765 31.700 -0.208 0.000 0.929 294 Y N 0.202 120.571 120.300 0.115 0.000 2.284 294 Y HA 0.298 4.848 4.550 -0.000 0.000 0.293 294 Y C 2.845 178.845 175.900 0.168 0.000 1.140 294 Y CA 0.879 59.082 58.100 0.172 0.000 1.153 294 Y CB -0.912 37.708 38.460 0.267 0.000 1.114 294 Y HN -0.150 nan 8.280 nan 0.000 0.521 295 A N 0.168 123.159 122.820 0.286 0.000 2.021 295 A HA -0.013 4.306 4.320 -0.000 0.000 0.216 295 A C 0.985 178.681 177.584 0.187 0.000 1.163 295 A CA 0.658 52.825 52.037 0.216 0.000 0.676 295 A CB -0.476 18.602 19.000 0.130 0.000 0.818 295 A HN 0.393 nan 8.150 nan 0.000 0.453 296 K N 0.129 120.626 120.400 0.163 0.000 3.077 296 K HA -0.181 4.139 4.320 -0.000 0.000 0.264 296 K C -1.032 175.626 176.600 0.097 0.000 1.008 296 K CA 1.133 57.494 56.287 0.124 0.000 0.740 296 K CB -1.500 31.065 32.500 0.109 0.000 1.273 296 K HN 0.764 nan 8.250 nan 0.000 0.477 297 E N 0.852 121.108 120.200 0.093 0.000 2.145 297 E HA 0.191 4.541 4.350 -0.000 0.000 0.270 297 E C -0.384 176.230 176.600 0.023 0.000 0.906 297 E CA -0.504 55.926 56.400 0.050 0.000 0.761 297 E CB 1.763 31.487 29.700 0.040 0.000 1.116 297 E HN 0.158 nan 8.360 nan 0.000 0.408 298 S N 2.214 117.919 115.700 0.009 0.000 2.537 298 S HA 0.251 4.721 4.470 -0.000 0.000 0.286 298 S C 1.235 175.815 174.600 -0.033 0.000 1.299 298 S CA 0.922 59.111 58.200 -0.017 0.000 1.067 298 S CB 0.141 63.336 63.200 -0.008 0.000 0.864 298 S HN 0.852 nan 8.310 nan 0.000 0.494 299 G N 3.701 112.432 108.800 -0.116 0.000 2.168 299 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.257 299 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.257 299 G C -0.043 174.795 174.900 -0.104 0.000 0.997 299 G CA 0.604 45.612 45.100 -0.153 0.000 0.708 299 G HN 0.784 nan 8.290 nan 0.000 0.520 300 I N -0.989 119.484 120.570 -0.161 0.000 2.619 300 I HA 0.574 4.744 4.170 -0.000 0.000 0.292 300 I C -0.841 175.240 176.117 -0.060 0.000 1.100 300 I CA -1.093 60.139 61.300 -0.114 0.000 1.043 300 I CB 1.677 39.635 38.000 -0.071 0.000 1.239 300 I HN -0.011 nan 8.210 nan 0.000 0.420 301 W N 4.383 125.655 121.300 -0.047 0.000 2.656 301 W HA 0.677 5.336 4.660 -0.001 0.000 0.327 301 W C 0.144 176.601 176.519 -0.102 0.000 1.041 301 W CA -1.329 55.947 57.345 -0.115 0.000 1.229 301 W CB 1.747 31.098 29.460 -0.181 0.000 1.397 301 W HN 0.485 nan 8.180 nan 0.000 0.479 302 A N 2.526 125.337 122.820 -0.015 0.000 2.492 302 A HA -0.064 4.255 4.320 -0.000 0.000 0.236 302 A C 0.855 178.323 177.584 -0.193 0.000 1.078 302 A CA 0.266 52.190 52.037 -0.189 0.000 0.773 302 A CB 0.134 18.719 19.000 -0.691 0.000 1.023 302 A HN 0.717 nan 8.150 nan 0.000 0.504 303 Y N 1.560 121.765 120.300 -0.158 0.000 2.151 303 Y HA -0.344 4.206 4.550 -0.000 0.000 0.284 303 Y C 2.059 177.851 175.900 -0.181 0.000 1.166 303 Y CA 2.838 60.874 58.100 -0.106 0.000 1.163 303 Y CB -0.784 37.668 38.460 -0.013 0.000 0.974 303 Y HN 0.821 nan 8.280 nan 0.000 0.511 304 Y N -1.121 118.979 120.300 -0.333 0.000 2.293 304 Y HA -0.056 4.494 4.550 -0.001 0.000 0.291 304 Y C 1.959 177.465 175.900 -0.657 0.000 1.137 304 Y CA 1.252 58.974 58.100 -0.629 0.000 1.202 304 Y CB -1.131 36.750 38.460 -0.966 0.000 0.990 304 Y HN 0.138 nan 8.280 nan 0.000 0.537 305 E N 0.994 120.692 120.200 -0.836 0.000 2.106 305 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 305 E C 2.082 178.328 176.600 -0.590 0.000 0.984 305 E CA 1.468 57.487 56.400 -0.635 0.000 0.806 305 E CB -0.220 29.100 29.700 -0.633 0.000 0.750 305 E HN 0.592 nan 8.360 nan 0.000 0.458 306 I N 0.686 120.984 120.570 -0.454 0.000 2.286 306 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 306 I C 2.364 178.289 176.117 -0.319 0.000 1.115 306 I CA 0.582 61.664 61.300 -0.363 0.000 1.392 306 I CB -0.281 37.468 38.000 -0.418 0.000 1.065 306 I HN 0.232 nan 8.210 nan 0.000 0.418 307 c N 0.425 118.785 118.600 -0.399 0.000 2.413 307 c HA -0.169 4.401 4.570 -0.000 0.000 0.277 307 c C 3.010 177.026 174.090 -0.125 0.000 1.265 307 c CA 1.567 57.734 56.329 -0.269 0.000 1.752 307 c CB -1.235 41.111 42.510 -0.273 0.000 1.998 307 c HN 0.518 nan 8.230 nan 0.000 0.489 308 T N 0.726 115.226 114.554 -0.090 0.000 2.746 308 T HA -0.171 4.178 4.350 -0.000 0.000 0.267 308 T C 1.495 176.150 174.700 -0.074 0.000 1.039 308 T CA 1.504 63.579 62.100 -0.041 0.000 1.142 308 T CB -0.416 68.449 68.868 -0.004 0.000 0.866 308 T HN 0.524 nan 8.240 nan 0.000 0.444 309 F N 1.845 121.600 119.950 -0.325 0.000 2.134 309 F HA 0.001 4.528 4.527 -0.001 0.000 0.299 309 F C 1.855 177.559 175.800 -0.160 0.000 1.097 309 F CA 0.975 58.807 58.000 -0.280 0.000 1.264 309 F CB -0.534 38.248 39.000 -0.364 0.000 1.001 309 F HN 0.067 nan 8.300 nan 0.000 0.479 310 L N -0.156 120.968 121.223 -0.165 0.000 2.056 310 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 310 L C 2.383 179.144 176.870 -0.182 0.000 1.078 310 L CA 1.412 56.126 54.840 -0.211 0.000 0.749 310 L CB -0.772 41.216 42.059 -0.119 0.000 0.901 310 L HN 0.011 nan 8.230 nan 0.000 0.433 311 K N 0.082 120.403 120.400 -0.132 0.000 2.209 311 K HA -0.098 4.222 4.320 -0.000 0.000 0.204 311 K C 1.218 177.751 176.600 -0.112 0.000 1.048 311 K CA 0.883 57.108 56.287 -0.104 0.000 0.940 311 K CB -0.122 32.333 32.500 -0.076 0.000 0.729 311 K HN 0.308 nan 8.250 nan 0.000 0.451 312 N N 0.154 118.771 118.700 -0.138 0.000 2.362 312 N HA 0.006 4.745 4.740 -0.000 0.000 0.211 312 N C 0.417 175.819 175.510 -0.180 0.000 1.170 312 N CA 0.767 53.739 53.050 -0.130 0.000 0.828 312 N CB 1.101 39.533 38.487 -0.092 0.000 1.034 312 N HN 0.374 nan 8.380 nan 0.000 0.475 313 G N 0.253 108.931 108.800 -0.204 0.000 2.141 313 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.242 313 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.242 313 G C 0.304 175.032 174.900 -0.286 0.000 0.982 313 G CA 0.067 45.048 45.100 -0.198 0.000 0.662 313 G HN 0.556 nan 8.290 nan 0.000 0.527 314 A N 0.351 122.890 122.820 -0.468 0.000 2.498 314 A HA 0.563 4.883 4.320 -0.000 0.000 0.239 314 A C 0.956 178.273 177.584 -0.445 0.000 1.068 314 A CA 1.302 52.966 52.037 -0.622 0.000 0.766 314 A CB 0.200 18.447 19.000 -1.255 0.000 1.003 314 A HN 0.900 nan 8.150 nan 0.000 0.497 315 T N 3.514 117.754 114.554 -0.524 0.000 2.834 315 T HA 0.225 4.574 4.350 -0.000 0.000 0.298 315 T C 0.187 174.577 174.700 -0.515 0.000 0.966 315 T CA 0.391 62.159 62.100 -0.553 0.000 1.141 315 T CB 0.190 68.572 68.868 -0.811 0.000 0.905 315 T HN 0.650 nan 8.240 nan 0.000 0.535 316 Q N 1.591 121.217 119.800 -0.290 0.000 2.274 316 Q HA 0.540 4.880 4.340 -0.000 0.000 0.256 316 Q C 0.355 176.222 176.000 -0.222 0.000 0.927 316 Q CA -0.652 55.037 55.803 -0.189 0.000 0.939 316 Q CB 1.541 30.237 28.738 -0.070 0.000 1.201 316 Q HN 0.816 nan 8.270 nan 0.000 0.426 317 G N 1.732 110.287 108.800 -0.408 0.000 2.453 317 G HA2 0.446 4.406 3.960 -0.000 0.000 0.323 317 G HA3 0.446 4.406 3.960 -0.000 0.000 0.323 317 G C -1.956 172.743 174.900 -0.335 0.000 1.198 317 G CA -0.494 44.252 45.100 -0.589 0.000 0.959 317 G HN 0.626 nan 8.290 nan 0.000 0.482 318 W N 3.162 124.329 121.300 -0.221 0.000 2.424 318 W HA 0.334 4.994 4.660 -0.001 0.000 0.318 318 W C -1.208 175.427 176.519 0.192 0.000 1.016 318 W CA -0.716 56.620 57.345 -0.015 0.000 1.268 318 W CB 1.949 31.413 29.460 0.006 0.000 1.297 318 W HN 0.484 nan 8.180 nan 0.000 0.428 319 D N 4.831 125.105 120.400 -0.210 0.000 2.551 319 D HA 0.226 4.866 4.640 -0.000 0.000 0.223 319 D C 1.307 177.374 176.300 -0.389 0.000 1.144 319 D CA 0.374 54.332 54.000 -0.069 0.000 1.025 319 D CB 0.720 41.539 40.800 0.032 0.000 1.085 319 D HN 0.397 nan 8.370 nan 0.000 0.506 320 A N 4.524 127.226 122.820 -0.198 0.000 1.892 320 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 320 A C -0.271 177.341 177.584 0.047 0.000 1.188 320 A CA 1.090 53.125 52.037 -0.004 0.000 0.631 320 A CB -1.329 17.834 19.000 0.271 0.000 0.822 320 A HN 0.462 nan 8.150 nan 0.000 0.447 321 P HA -0.140 nan 4.420 nan 0.000 0.219 321 P C 1.123 178.502 177.300 0.132 0.000 1.146 321 P CA 1.327 64.454 63.100 0.045 0.000 0.808 321 P CB -0.042 31.612 31.700 -0.076 0.000 0.779 322 Q N -1.302 118.536 119.800 0.063 0.000 2.319 322 Q HA 0.054 4.393 4.340 -0.000 0.000 0.209 322 Q C -0.202 175.730 176.000 -0.113 0.000 0.884 322 Q CA -0.020 55.804 55.803 0.036 0.000 0.938 322 Q CB 0.295 29.053 28.738 0.032 0.000 1.098 322 Q HN 0.151 nan 8.270 nan 0.000 0.517 323 E N -0.110 119.974 120.200 -0.192 0.000 2.513 323 E HA -0.146 4.204 4.350 -0.000 0.000 0.257 323 E C -0.653 175.631 176.600 -0.528 0.000 1.098 323 E CA 0.921 57.188 56.400 -0.221 0.000 0.752 323 E CB -2.293 27.455 29.700 0.080 0.000 1.324 323 E HN 0.279 nan 8.360 nan 0.000 0.403 324 V N -3.594 115.772 119.914 -0.912 0.000 3.007 324 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 324 V C -2.510 173.110 176.094 -0.791 0.000 1.120 324 V CA -2.231 59.665 62.300 -0.673 0.000 0.980 324 V CB 2.644 34.298 31.823 -0.282 0.000 1.033 324 V HN -0.160 nan 8.190 nan 0.000 0.429 325 P HA 0.521 nan 4.420 nan 0.000 0.278 325 P C -1.749 175.394 177.300 -0.261 0.000 1.266 325 P CA -0.138 62.819 63.100 -0.239 0.000 0.807 325 P CB 1.180 32.707 31.700 -0.288 0.000 1.094 326 Y N -2.324 117.865 120.300 -0.185 0.000 2.655 326 Y HA 0.847 5.396 4.550 -0.001 0.000 0.336 326 Y C -1.770 174.153 175.900 0.039 0.000 1.154 326 Y CA -1.530 56.456 58.100 -0.189 0.000 1.055 326 Y CB 0.797 38.954 38.460 -0.506 0.000 1.295 326 Y HN 0.654 nan 8.280 nan 0.000 0.465 327 A N 1.462 124.342 122.820 0.100 0.000 2.572 327 A HA 0.839 5.159 4.320 -0.000 0.000 0.295 327 A C -2.180 175.571 177.584 0.278 0.000 1.072 327 A CA -0.757 51.357 52.037 0.128 0.000 0.691 327 A CB 1.419 20.593 19.000 0.290 0.000 1.291 327 A HN 1.386 nan 8.150 nan 0.000 0.404 328 Y N -1.269 119.166 120.300 0.225 0.000 2.552 328 Y HA 0.797 5.346 4.550 -0.001 0.000 0.337 328 Y C -0.926 175.112 175.900 0.230 0.000 1.094 328 Y CA -1.031 57.291 58.100 0.369 0.000 1.028 328 Y CB 1.663 40.351 38.460 0.380 0.000 1.321 328 Y HN 0.700 nan 8.280 nan 0.000 0.456 329 Q N 2.484 122.590 119.800 0.510 0.000 2.309 329 Q HA 0.580 4.920 4.340 -0.000 0.000 0.254 329 Q C 0.343 176.555 176.000 0.352 0.000 0.938 329 Q CA 0.304 56.258 55.803 0.252 0.000 0.789 329 Q CB 1.636 30.376 28.738 0.003 0.000 1.313 329 Q HN 1.549 nan 8.270 nan 0.000 0.438 330 G N 3.951 112.926 108.800 0.290 0.000 2.596 330 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.304 330 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.304 330 G C 0.408 175.462 174.900 0.257 0.000 1.189 330 G CA 0.546 45.788 45.100 0.237 0.000 0.986 330 G HN 1.008 nan 8.290 nan 0.000 0.548 331 N N 0.771 119.604 118.700 0.222 0.000 2.322 331 N HA 0.257 4.997 4.740 -0.000 0.000 0.194 331 N C 0.254 175.911 175.510 0.245 0.000 1.126 331 N CA 0.924 54.092 53.050 0.196 0.000 0.845 331 N CB 0.413 38.981 38.487 0.134 0.000 0.976 331 N HN 0.678 nan 8.380 nan 0.000 0.475 332 V N 0.893 121.012 119.914 0.343 0.000 2.459 332 V HA 0.436 4.555 4.120 -0.000 0.000 0.295 332 V C -1.163 175.248 176.094 0.528 0.000 1.029 332 V CA -0.897 61.618 62.300 0.358 0.000 0.874 332 V CB 1.402 33.424 31.823 0.332 0.000 0.985 332 V HN 0.301 nan 8.190 nan 0.000 0.438 333 W N 4.447 125.884 121.300 0.228 0.000 2.883 333 W HA 0.752 5.412 4.660 -0.001 0.000 0.335 333 W C -1.515 175.144 176.519 0.235 0.000 1.083 333 W CA -0.770 56.754 57.345 0.298 0.000 1.233 333 W CB 1.896 31.443 29.460 0.144 0.000 1.412 333 W HN 0.464 nan 8.180 nan 0.000 0.490 334 V N 5.909 125.834 119.914 0.019 0.000 2.638 334 V HA 0.868 4.988 4.120 -0.000 0.000 0.306 334 V C -0.449 175.543 176.094 -0.171 0.000 1.052 334 V CA -0.502 61.836 62.300 0.063 0.000 0.885 334 V CB 1.570 33.389 31.823 -0.007 0.000 0.999 334 V HN 0.725 nan 8.190 nan 0.000 0.424 335 G N 5.671 114.581 108.800 0.183 0.000 2.368 335 G HA2 0.686 4.645 3.960 -0.000 0.000 0.320 335 G HA3 0.686 4.645 3.960 -0.000 0.000 0.320 335 G C -1.254 173.866 174.900 0.368 0.000 1.158 335 G CA -0.144 45.081 45.100 0.209 0.000 0.912 335 G HN 1.282 nan 8.290 nan 0.000 0.456 336 Y N -0.418 119.937 120.300 0.092 0.000 2.958 336 Y HA 0.760 5.310 4.550 -0.001 0.000 0.315 336 Y C -1.602 174.358 175.900 0.099 0.000 1.541 336 Y CA -1.770 56.385 58.100 0.090 0.000 1.087 336 Y CB 0.779 39.321 38.460 0.136 0.000 1.593 336 Y HN 0.408 nan 8.280 nan 0.000 0.446 337 D N 0.697 121.189 120.400 0.153 0.000 2.780 337 D HA 0.434 5.074 4.640 -0.000 0.000 0.242 337 D C -1.140 175.172 176.300 0.020 0.000 1.135 337 D CA -0.558 53.478 54.000 0.060 0.000 0.859 337 D CB 1.410 42.381 40.800 0.284 0.000 1.530 337 D HN 0.713 nan 8.370 nan 0.000 0.493 338 N N 0.089 118.784 118.700 -0.007 0.000 3.100 338 N HA 0.270 5.010 4.740 -0.000 0.000 0.344 338 N C 0.529 175.974 175.510 -0.108 0.000 1.413 338 N CA -0.754 52.284 53.050 -0.021 0.000 0.752 338 N CB -0.048 38.597 38.487 0.263 0.000 1.519 338 N HN 0.137 nan 8.380 nan 0.000 0.620 339 V N 0.082 119.974 119.914 -0.037 0.000 2.332 339 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 339 V C 2.544 178.713 176.094 0.125 0.000 1.055 339 V CA 2.201 64.512 62.300 0.019 0.000 1.038 339 V CB -0.866 30.983 31.823 0.044 0.000 0.651 339 V HN 0.773 nan 8.190 nan 0.000 0.450 340 K N 0.703 121.172 120.400 0.115 0.000 2.009 340 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 340 K C 2.440 179.204 176.600 0.274 0.000 1.049 340 K CA 2.064 58.419 56.287 0.113 0.000 0.929 340 K CB -0.276 32.179 32.500 -0.075 0.000 0.714 340 K HN 0.628 nan 8.250 nan 0.000 0.440 341 S N -0.207 115.727 115.700 0.390 0.000 2.383 341 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 341 S C 1.946 176.802 174.600 0.427 0.000 1.026 341 S CA 0.699 59.152 58.200 0.422 0.000 0.981 341 S CB -0.596 62.794 63.200 0.317 0.000 0.818 341 S HN 0.232 nan 8.310 nan 0.000 0.472 342 F N 2.701 122.772 119.950 0.202 0.000 2.126 342 F HA 0.005 4.532 4.527 -0.001 0.000 0.299 342 F C 2.366 178.323 175.800 0.262 0.000 1.096 342 F CA 1.022 59.204 58.000 0.305 0.000 1.255 342 F CB -1.107 38.004 39.000 0.186 0.000 0.997 342 F HN 0.283 nan 8.300 nan 0.000 0.479 343 D N -0.034 120.573 120.400 0.345 0.000 2.117 343 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 343 D C 2.313 178.734 176.300 0.202 0.000 0.987 343 D CA 1.261 55.386 54.000 0.210 0.000 0.829 343 D CB -0.195 40.697 40.800 0.154 0.000 0.961 343 D HN 0.259 nan 8.370 nan 0.000 0.460 344 I N 0.105 120.816 120.570 0.235 0.000 2.163 344 I HA -0.263 3.906 4.170 -0.000 0.000 0.243 344 I C 2.288 178.542 176.117 0.228 0.000 1.085 344 I CA 1.228 62.668 61.300 0.233 0.000 1.347 344 I CB -0.158 38.002 38.000 0.266 0.000 1.044 344 I HN 0.004 nan 8.210 nan 0.000 0.408 345 K N 0.625 121.153 120.400 0.212 0.000 2.148 345 K HA -0.065 4.254 4.320 -0.000 0.000 0.204 345 K C 2.237 179.077 176.600 0.399 0.000 1.050 345 K CA 1.231 57.639 56.287 0.201 0.000 0.942 345 K CB -0.218 32.254 32.500 -0.046 0.000 0.724 345 K HN 0.302 nan 8.250 nan 0.000 0.446 346 A N 1.446 124.469 122.820 0.339 0.000 1.877 346 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 346 A C 2.087 179.678 177.584 0.012 0.000 1.186 346 A CA 1.307 53.428 52.037 0.139 0.000 0.620 346 A CB -0.356 18.632 19.000 -0.019 0.000 0.822 346 A HN 0.169 nan 8.150 nan 0.000 0.443 347 Q N -1.510 118.295 119.800 0.009 0.000 2.061 347 Q HA -0.237 4.103 4.340 -0.000 0.000 0.204 347 Q C 1.877 177.583 176.000 -0.489 0.000 0.984 347 Q CA 1.733 57.420 55.803 -0.193 0.000 0.846 347 Q CB -0.678 28.056 28.738 -0.008 0.000 0.902 347 Q HN 0.910 nan 8.270 nan 0.000 0.421 348 W N 1.707 122.875 121.300 -0.220 0.000 2.335 348 W HA -0.206 4.454 4.660 -0.000 0.000 0.311 348 W C 2.063 178.598 176.519 0.026 0.000 1.213 348 W CA 1.662 58.986 57.345 -0.035 0.000 1.274 348 W CB -0.504 29.006 29.460 0.084 0.000 1.148 348 W HN 0.198 nan 8.180 nan 0.000 0.498 349 L N 1.287 122.630 121.223 0.199 0.000 2.012 349 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 349 L C 2.418 179.269 176.870 -0.031 0.000 1.073 349 L CA 2.158 57.097 54.840 0.164 0.000 0.748 349 L CB -0.622 41.616 42.059 0.299 0.000 0.891 349 L HN -0.033 nan 8.230 nan 0.000 0.431 350 K N -0.971 119.325 120.400 -0.174 0.000 2.057 350 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 350 K C 1.845 178.421 176.600 -0.039 0.000 1.049 350 K CA 1.927 58.141 56.287 -0.121 0.000 0.931 350 K CB -0.473 31.890 32.500 -0.228 0.000 0.714 350 K HN 0.597 nan 8.250 nan 0.000 0.440 351 H N 0.324 119.348 119.070 -0.077 0.000 2.422 351 H HA -0.016 4.540 4.556 -0.001 0.000 0.298 351 H C 1.440 176.632 175.328 -0.226 0.000 1.098 351 H CA 0.755 56.735 56.048 -0.113 0.000 1.315 351 H CB 0.064 29.775 29.762 -0.085 0.000 1.382 351 H HN 0.221 nan 8.280 nan 0.000 0.523 352 N N 0.663 119.178 118.700 -0.309 0.000 2.336 352 N HA -0.007 4.732 4.740 -0.000 0.000 0.189 352 N C -0.284 174.843 175.510 -0.637 0.000 1.113 352 N CA 0.171 52.902 53.050 -0.532 0.000 0.858 352 N CB 0.549 38.538 38.487 -0.830 0.000 0.970 352 N HN 0.281 nan 8.380 nan 0.000 0.471 353 K N 0.268 120.478 120.400 -0.317 0.000 3.071 353 K HA -0.169 4.151 4.320 -0.000 0.000 0.265 353 K C -0.667 175.798 176.600 -0.226 0.000 1.060 353 K CA 0.404 56.581 56.287 -0.183 0.000 0.767 353 K CB -1.886 30.507 32.500 -0.178 0.000 1.241 353 K HN 0.150 nan 8.250 nan 0.000 0.486 354 F N -0.352 119.636 119.950 0.064 0.000 2.403 354 F HA 0.194 4.720 4.527 -0.001 0.000 0.320 354 F C 2.168 178.084 175.800 0.193 0.000 1.176 354 F CA 0.193 58.254 58.000 0.101 0.000 1.206 354 F CB 0.562 39.616 39.000 0.091 0.000 1.235 354 F HN 0.089 nan 8.300 nan 0.000 0.565 355 G N -0.008 109.029 108.800 0.395 0.000 2.534 355 G HA2 0.381 4.341 3.960 -0.000 0.000 0.217 355 G HA3 0.381 4.341 3.960 -0.000 0.000 0.217 355 G C 0.498 175.585 174.900 0.310 0.000 1.128 355 G CA 0.642 45.919 45.100 0.294 0.000 0.784 355 G HN 1.118 nan 8.290 nan 0.000 0.542 356 G N -1.622 107.380 108.800 0.336 0.000 2.332 356 G HA2 0.551 4.510 3.960 -0.000 0.000 0.265 356 G HA3 0.551 4.510 3.960 -0.000 0.000 0.265 356 G C -1.281 173.712 174.900 0.155 0.000 1.329 356 G CA -0.145 45.091 45.100 0.227 0.000 0.949 356 G HN 1.082 nan 8.290 nan 0.000 0.476 357 A N -0.691 122.153 122.820 0.039 0.000 2.374 357 A HA 0.958 5.278 4.320 -0.000 0.000 0.317 357 A C -0.198 177.426 177.584 0.068 0.000 1.094 357 A CA 0.258 52.319 52.037 0.041 0.000 0.765 357 A CB 1.492 20.246 19.000 -0.410 0.000 1.268 357 A HN 2.177 nan 8.150 nan 0.000 0.438 358 M N 0.679 120.413 119.600 0.223 0.000 2.602 358 M HA 0.816 5.295 4.480 -0.000 0.000 0.312 358 M C -1.456 175.055 176.300 0.352 0.000 1.181 358 M CA -0.716 54.728 55.300 0.241 0.000 0.910 358 M CB 1.569 34.343 32.600 0.289 0.000 1.723 358 M HN 0.204 nan 8.290 nan 0.000 0.459 359 V N 2.185 122.310 119.914 0.351 0.000 2.444 359 V HA 0.433 4.552 4.120 -0.000 0.000 0.294 359 V C -1.586 174.772 176.094 0.440 0.000 1.022 359 V CA -0.320 62.198 62.300 0.362 0.000 0.850 359 V CB 1.701 33.662 31.823 0.229 0.000 0.992 359 V HN 0.937 nan 8.190 nan 0.000 0.426 360 W N 6.142 127.542 121.300 0.167 0.000 2.299 360 W HA 0.778 5.438 4.660 -0.001 0.000 0.319 360 W C -0.427 176.133 176.519 0.068 0.000 1.008 360 W CA -0.421 56.927 57.345 0.005 0.000 1.384 360 W CB 1.533 30.826 29.460 -0.278 0.000 1.220 360 W HN 0.684 nan 8.180 nan 0.000 0.402 361 A N 5.291 127.997 122.820 -0.190 0.000 2.566 361 A HA 0.394 4.714 4.320 -0.000 0.000 0.292 361 A C 0.269 177.702 177.584 -0.252 0.000 1.112 361 A CA -0.685 51.076 52.037 -0.460 0.000 0.707 361 A CB 1.559 19.866 19.000 -1.155 0.000 1.302 361 A HN 0.674 nan 8.150 nan 0.000 0.409 362 I N -0.068 120.350 120.570 -0.254 0.000 2.264 362 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 362 I C 1.696 177.580 176.117 -0.389 0.000 1.111 362 I CA 2.641 63.842 61.300 -0.164 0.000 1.382 362 I CB -0.041 37.894 38.000 -0.109 0.000 1.060 362 I HN 0.886 nan 8.210 nan 0.000 0.418 363 D N -0.076 119.808 120.400 -0.860 0.000 2.363 363 D HA -0.132 4.507 4.640 -0.000 0.000 0.226 363 D C 1.718 177.851 176.300 -0.278 0.000 1.020 363 D CA 0.698 54.010 54.000 -1.148 0.000 0.892 363 D CB -0.275 39.768 40.800 -1.261 0.000 0.900 363 D HN 0.398 nan 8.370 nan 0.000 0.531 364 L N -0.636 120.523 121.223 -0.107 0.000 2.513 364 L HA 0.181 4.520 4.340 -0.000 0.000 0.222 364 L C 0.948 177.993 176.870 0.291 0.000 1.096 364 L CA -0.256 54.655 54.840 0.118 0.000 0.857 364 L CB -0.082 41.993 42.059 0.027 0.000 1.026 364 L HN -0.003 nan 8.230 nan 0.000 0.469 365 D N 0.725 121.294 120.400 0.281 0.000 2.361 365 D HA -0.080 4.559 4.640 -0.000 0.000 0.239 365 D C -0.142 176.378 176.300 0.366 0.000 1.200 365 D CA 0.003 54.204 54.000 0.335 0.000 0.915 365 D CB 0.824 41.838 40.800 0.358 0.000 1.170 365 D HN -0.115 nan 8.370 nan 0.000 0.444 366 D N 1.239 121.807 120.400 0.281 0.000 2.545 366 D HA -0.013 4.627 4.640 -0.000 0.000 0.227 366 D C 0.985 177.143 176.300 -0.237 0.000 1.150 366 D CA -0.251 53.765 54.000 0.027 0.000 1.046 366 D CB -0.928 39.933 40.800 0.101 0.000 1.098 366 D HN 0.341 nan 8.370 nan 0.000 0.502 367 F N 0.411 120.102 119.950 -0.431 0.000 2.234 367 F HA -0.058 4.469 4.527 -0.000 0.000 0.299 367 F C 2.174 177.648 175.800 -0.543 0.000 1.087 367 F CA 1.101 58.558 58.000 -0.905 0.000 1.340 367 F CB -1.338 37.304 39.000 -0.597 0.000 1.031 367 F HN 0.180 nan 8.300 nan 0.000 0.500 368 T N -2.941 111.087 114.554 -0.877 0.000 2.951 368 T HA 0.262 4.612 4.350 -0.000 0.000 0.268 368 T C 1.940 176.462 174.700 -0.296 0.000 1.073 368 T CA 0.834 62.623 62.100 -0.519 0.000 1.134 368 T CB -0.840 67.683 68.868 -0.574 0.000 0.884 368 T HN 0.972 nan 8.240 nan 0.000 0.479 369 G N 0.970 109.616 108.800 -0.257 0.000 2.148 369 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.254 369 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.254 369 G C 0.956 175.778 174.900 -0.129 0.000 0.981 369 G CA 1.133 46.155 45.100 -0.131 0.000 0.670 369 G HN 1.075 nan 8.290 nan 0.000 0.528 370 T N -3.250 111.188 114.554 -0.194 0.000 3.065 370 T HA 0.411 4.760 4.350 -0.000 0.000 0.252 370 T C 1.784 176.257 174.700 -0.378 0.000 1.099 370 T CA 1.136 63.053 62.100 -0.304 0.000 1.063 370 T CB -0.140 68.464 68.868 -0.440 0.000 0.948 370 T HN 0.203 nan 8.240 nan 0.000 0.506 371 F N 0.588 120.411 119.950 -0.212 0.000 2.374 371 F HA 0.321 4.848 4.527 -0.001 0.000 0.291 371 F C 2.305 178.011 175.800 -0.157 0.000 1.084 371 F CA -0.242 57.653 58.000 -0.174 0.000 1.413 371 F CB -0.023 38.879 39.000 -0.164 0.000 1.099 371 F HN 0.254 nan 8.300 nan 0.000 0.534 372 c N -1.257 117.364 118.600 0.036 0.000 3.230 372 c HA 0.264 4.834 4.570 -0.000 0.000 0.300 372 c C 0.796 174.883 174.090 -0.005 0.000 1.292 372 c CA -0.510 55.807 56.329 -0.018 0.000 1.707 372 c CB -1.417 41.079 42.510 -0.023 0.000 2.181 372 c HN 0.612 nan 8.230 nan 0.000 0.655 373 N N 1.284 119.973 118.700 -0.017 0.000 2.714 373 N HA -0.216 4.524 4.740 -0.000 0.000 0.252 373 N C 0.238 175.754 175.510 0.011 0.000 1.014 373 N CA 0.617 53.656 53.050 -0.018 0.000 0.735 373 N CB -0.884 37.585 38.487 -0.030 0.000 0.924 373 N HN 0.719 nan 8.380 nan 0.000 0.540 374 Q N -0.638 119.183 119.800 0.035 0.000 2.112 374 Q HA 0.356 4.696 4.340 -0.000 0.000 0.222 374 Q C 0.722 176.757 176.000 0.058 0.000 0.798 374 Q CA 0.069 55.907 55.803 0.059 0.000 1.060 374 Q CB 1.041 29.843 28.738 0.107 0.000 1.184 374 Q HN 0.553 nan 8.270 nan 0.000 0.475 375 G N 1.743 110.564 108.800 0.035 0.000 2.756 375 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.678 375 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.678 375 G C -0.954 173.969 174.900 0.038 0.000 1.349 375 G CA -0.993 44.129 45.100 0.037 0.000 0.847 375 G HN 0.119 nan 8.290 nan 0.000 0.548 376 K N -0.432 119.994 120.400 0.044 0.000 2.350 376 K HA 0.458 4.778 4.320 -0.000 0.000 0.279 376 K C 0.199 176.903 176.600 0.173 0.000 1.027 376 K CA -0.068 56.231 56.287 0.020 0.000 0.969 376 K CB 0.188 32.719 32.500 0.051 0.000 0.954 376 K HN 0.691 nan 8.250 nan 0.000 0.474 377 F N 1.375 121.406 119.950 0.134 0.000 2.866 377 F HA -0.178 4.349 4.527 -0.000 0.000 0.254 377 F C -1.400 174.456 175.800 0.093 0.000 1.009 377 F CA -0.204 57.879 58.000 0.138 0.000 0.907 377 F CB -1.233 37.846 39.000 0.132 0.000 0.859 377 F HN 0.621 nan 8.300 nan 0.000 0.842 378 P HA -0.178 nan 4.420 nan 0.000 0.216 378 P C 1.834 179.170 177.300 0.061 0.000 1.153 378 P CA 1.587 64.769 63.100 0.136 0.000 0.848 378 P CB 0.239 32.036 31.700 0.162 0.000 0.787 379 L N -1.118 120.082 121.223 -0.038 0.000 2.072 379 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 379 L C 2.780 179.719 176.870 0.114 0.000 1.079 379 L CA 1.256 55.964 54.840 -0.220 0.000 0.752 379 L CB -0.729 40.918 42.059 -0.688 0.000 0.906 379 L HN -0.147 nan 8.230 nan 0.000 0.436 380 I N -1.028 119.652 120.570 0.183 0.000 2.500 380 I HA -0.168 4.002 4.170 -0.000 0.000 0.252 380 I C 2.545 178.717 176.117 0.092 0.000 1.142 380 I CA 0.589 61.986 61.300 0.162 0.000 1.451 380 I CB -0.220 37.847 38.000 0.112 0.000 1.093 380 I HN 0.121 nan 8.210 nan 0.000 0.430 381 S N 0.593 116.365 115.700 0.121 0.000 2.383 381 S HA -0.183 4.287 4.470 -0.000 0.000 0.229 381 S C 2.076 176.715 174.600 0.064 0.000 1.030 381 S CA 2.008 60.259 58.200 0.085 0.000 1.002 381 S CB -0.435 62.835 63.200 0.117 0.000 0.829 381 S HN 0.470 nan 8.310 nan 0.000 0.467 382 T N 3.053 117.659 114.554 0.087 0.000 2.684 382 T HA -0.032 4.318 4.350 -0.000 0.000 0.267 382 T C 1.734 176.464 174.700 0.049 0.000 1.036 382 T CA 1.148 63.301 62.100 0.087 0.000 1.148 382 T CB -0.477 68.475 68.868 0.139 0.000 0.863 382 T HN 0.300 nan 8.240 nan 0.000 0.436 383 L N 0.601 121.839 121.223 0.026 0.000 2.056 383 L HA -0.049 4.290 4.340 -0.000 0.000 0.207 383 L C 2.718 179.531 176.870 -0.096 0.000 1.078 383 L CA 1.282 56.054 54.840 -0.113 0.000 0.749 383 L CB -0.574 41.337 42.059 -0.248 0.000 0.901 383 L HN 0.216 nan 8.230 nan 0.000 0.433 384 K N 1.040 121.410 120.400 -0.050 0.000 2.032 384 K HA -0.264 4.056 4.320 -0.000 0.000 0.209 384 K C 2.265 178.850 176.600 -0.025 0.000 1.048 384 K CA 1.755 58.018 56.287 -0.040 0.000 0.927 384 K CB -0.008 32.476 32.500 -0.027 0.000 0.712 384 K HN 0.107 nan 8.250 nan 0.000 0.441 385 K N -0.036 120.359 120.400 -0.008 0.000 2.002 385 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 385 K C 1.992 178.585 176.600 -0.011 0.000 1.048 385 K CA 1.391 57.679 56.287 0.002 0.000 0.930 385 K CB -0.230 32.281 32.500 0.018 0.000 0.714 385 K HN 0.240 nan 8.250 nan 0.000 0.438 386 A N 0.873 123.676 122.820 -0.029 0.000 1.972 386 A HA -0.075 4.244 4.320 -0.000 0.000 0.219 386 A C 1.913 179.428 177.584 -0.115 0.000 1.169 386 A CA 1.167 53.172 52.037 -0.054 0.000 0.635 386 A CB -0.378 18.589 19.000 -0.054 0.000 0.810 386 A HN 0.346 nan 8.150 nan 0.000 0.446 387 L N -1.176 119.967 121.223 -0.132 0.000 2.592 387 L HA 0.207 4.547 4.340 -0.000 0.000 0.227 387 L C 1.511 178.387 176.870 0.010 0.000 1.127 387 L CA 0.384 55.120 54.840 -0.173 0.000 0.884 387 L CB -0.289 41.667 42.059 -0.173 0.000 1.065 387 L HN 0.535 nan 8.230 nan 0.000 0.457 388 G N 1.439 110.246 108.800 0.011 0.000 2.273 388 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.280 388 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.280 388 G C 0.210 175.141 174.900 0.053 0.000 1.047 388 G CA -0.164 44.963 45.100 0.045 0.000 0.869 388 G HN 0.268 nan 8.290 nan 0.000 0.502 389 L N 0.208 121.451 121.223 0.032 0.000 2.499 389 L HA 0.203 4.542 4.340 -0.000 0.000 0.273 389 L C 1.307 178.186 176.870 0.016 0.000 1.195 389 L CA -0.356 54.499 54.840 0.025 0.000 0.882 389 L CB 0.596 42.655 42.059 0.001 0.000 1.133 389 L HN 0.441 nan 8.230 nan 0.000 0.483 390 Q N 2.405 122.215 119.800 0.017 0.000 2.421 390 Q HA 0.081 4.421 4.340 -0.000 0.000 0.255 390 Q C -0.130 175.871 176.000 0.000 0.000 1.013 390 Q CA 0.227 56.036 55.803 0.010 0.000 0.895 390 Q CB 1.465 30.209 28.738 0.011 0.000 1.271 390 Q HN 0.717 nan 8.270 nan 0.000 0.460 391 S N 1.924 117.622 115.700 -0.002 0.000 2.733 391 S HA 0.236 4.706 4.470 -0.000 0.000 0.247 391 S C 1.034 175.628 174.600 -0.010 0.000 1.043 391 S CA 0.187 58.382 58.200 -0.009 0.000 1.066 391 S CB 0.553 63.748 63.200 -0.008 0.000 1.045 391 S HN 0.703 nan 8.310 nan 0.000 0.586 392 A N 2.113 124.930 122.820 -0.006 0.000 1.978 392 A HA -0.109 4.210 4.320 -0.000 0.000 0.220 392 A C 2.141 179.718 177.584 -0.011 0.000 1.170 392 A CA 1.942 53.975 52.037 -0.007 0.000 0.636 392 A CB -0.752 18.246 19.000 -0.003 0.000 0.810 392 A HN 0.605 nan 8.150 nan 0.000 0.448 393 S N -1.568 114.125 115.700 -0.013 0.000 2.555 393 S HA -0.074 4.396 4.470 -0.000 0.000 0.230 393 S C 1.250 175.834 174.600 -0.026 0.000 0.978 393 S CA 0.935 59.124 58.200 -0.018 0.000 0.934 393 S CB -1.028 62.162 63.200 -0.016 0.000 0.766 393 S HN 0.563 nan 8.310 nan 0.000 0.533 394 c N 1.877 120.461 118.600 -0.026 0.000 2.754 394 c HA 0.352 4.921 4.570 -0.000 0.000 0.276 394 c C 1.370 175.444 174.090 -0.028 0.000 1.264 394 c CA -0.716 55.593 56.329 -0.032 0.000 1.700 394 c CB -1.971 40.519 42.510 -0.034 0.000 1.885 394 c HN 0.652 nan 8.230 nan 0.000 0.607 395 T N 1.888 116.428 114.554 -0.023 0.000 2.946 395 T HA 0.383 4.733 4.350 -0.000 0.000 0.311 395 T C -0.063 174.624 174.700 -0.022 0.000 1.063 395 T CA 0.431 62.519 62.100 -0.020 0.000 1.139 395 T CB 0.278 69.137 68.868 -0.016 0.000 0.994 395 T HN 0.555 nan 8.240 nan 0.000 0.547 396 A N 6.024 128.831 122.820 -0.020 0.000 2.353 396 A HA 0.723 5.042 4.320 -0.000 0.000 0.299 396 A C -2.167 175.406 177.584 -0.018 0.000 1.089 396 A CA -1.271 50.754 52.037 -0.021 0.000 0.736 396 A CB 0.898 19.884 19.000 -0.023 0.000 1.195 396 A HN 0.821 nan 8.150 nan 0.000 0.447 397 P HA 0.553 nan 4.420 nan 0.000 0.278 397 P C -0.015 177.276 177.300 -0.015 0.000 1.266 397 P CA -0.442 62.649 63.100 -0.015 0.000 0.807 397 P CB 1.169 32.860 31.700 -0.016 0.000 1.094 398 A N 1.094 123.906 122.820 -0.013 0.000 3.051 398 A HA 0.146 4.466 4.320 -0.000 0.000 0.257 398 A C 0.189 177.765 177.584 -0.013 0.000 1.785 398 A CA -0.010 52.020 52.037 -0.012 0.000 1.420 398 A CB -1.112 17.881 19.000 -0.010 0.000 1.063 398 A HN 0.499 nan 8.150 nan 0.000 0.630 399 Q N 1.469 121.261 119.800 -0.014 0.000 2.285 399 Q HA 0.437 4.776 4.340 -0.000 0.000 0.269 399 Q C -2.255 173.735 176.000 -0.016 0.000 1.030 399 Q CA -1.634 54.160 55.803 -0.015 0.000 0.788 399 Q CB 2.178 30.906 28.738 -0.016 0.000 1.266 399 Q HN 0.583 nan 8.270 nan 0.000 0.438 400 P HA 0.000 nan 4.420 nan 0.000 0.216 400 P CA 0.000 63.090 63.100 -0.016 0.000 0.800 400 P CB 0.000 31.691 31.700 -0.014 0.000 0.726