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 3os6_1_B DATA FIRST_RESID 10 DATA SEQUENCE LSEKLLEDYK TESSLFFASP TRTILAEGEF TTVKHHEIES FPELVQAVLR DATA SEQUENCE NAKQAGNPNP IVVGALPFDR RKEVQLIVPE YSRISERLQL DPTXXXXXXX DATA SEQUENCE XLTFEXTPVP DHEVYXKGVK QGIEKIKDGD LKKIVLSRSL DVKSSGKIDK DATA SEQUENCE QKLLRELAEH NKHGYTFAVN LPKDEXENSK TLIGASPELL VSRHGXQVIS DATA SEQUENCE NPLAGSRPRS DDPVEDKRRA EELLSSPKDL HEHAVVVEAV AAALRPYCHT DATA SEQUENCE LYVPEKPSVI HSEAXWHLST EVKGELKNPN TSSLELAIAL HPTPAVCGTP DATA SEQUENCE XEEAREAIQK IEPFDREFFT GXLGWSDLNG DGEWIVTIRC AEVQENTLRL DATA SEQUENCE YAGAGVVAES KPEDELAETS AKFQTXLKAL GLN 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 10 L HA 0.000 nan 4.340 nan 0.000 0.249 10 L C 0.000 176.889 176.870 0.031 0.000 1.165 10 L CA 0.000 54.850 54.840 0.017 0.000 0.813 10 L CB 0.000 42.064 42.059 0.009 0.000 0.961 11 S N -0.065 115.650 115.700 0.025 0.000 2.374 11 S HA -0.278 4.192 4.470 -0.000 0.000 0.227 11 S C 1.706 176.355 174.600 0.082 0.000 1.037 11 S CA 1.935 60.161 58.200 0.043 0.000 1.024 11 S CB -0.550 62.662 63.200 0.019 0.000 0.861 11 S HN 0.627 nan 8.310 nan 0.000 0.456 12 E N 0.820 121.051 120.200 0.052 0.000 2.208 12 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 12 E C 2.110 178.741 176.600 0.052 0.000 0.988 12 E CA 0.799 57.228 56.400 0.049 0.000 0.828 12 E CB -0.074 29.637 29.700 0.018 0.000 0.763 12 E HN 0.470 nan 8.360 nan 0.000 0.478 13 K N 0.326 120.756 120.400 0.050 0.000 2.063 13 K HA -0.085 4.234 4.320 -0.000 0.000 0.208 13 K C 2.105 178.758 176.600 0.087 0.000 1.048 13 K CA 1.275 57.594 56.287 0.053 0.000 0.928 13 K CB -0.625 31.900 32.500 0.042 0.000 0.713 13 K HN 0.306 nan 8.250 nan 0.000 0.442 14 L N 0.003 121.302 121.223 0.127 0.000 2.042 14 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 14 L C 2.552 179.585 176.870 0.272 0.000 1.076 14 L CA 1.356 56.321 54.840 0.210 0.000 0.749 14 L CB -0.693 41.501 42.059 0.225 0.000 0.893 14 L HN 0.249 nan 8.230 nan 0.000 0.432 15 L N 0.264 121.619 121.223 0.220 0.000 2.017 15 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 15 L C 2.395 179.226 176.870 -0.065 0.000 1.073 15 L CA 1.772 56.562 54.840 -0.084 0.000 0.745 15 L CB -0.520 41.475 42.059 -0.106 0.000 0.894 15 L HN 0.198 nan 8.230 nan 0.000 0.432 16 E N -0.662 119.540 120.200 0.004 0.000 2.118 16 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 16 E C 1.275 177.897 176.600 0.036 0.000 0.992 16 E CA 1.290 57.697 56.400 0.011 0.000 0.804 16 E CB -0.140 29.569 29.700 0.015 0.000 0.741 16 E HN 0.539 nan 8.360 nan 0.000 0.458 17 D N -0.339 120.101 120.400 0.066 0.000 2.349 17 D HA -0.059 4.580 4.640 -0.000 0.000 0.224 17 D C -0.172 176.169 176.300 0.068 0.000 1.029 17 D CA 0.176 54.217 54.000 0.067 0.000 0.879 17 D CB -0.236 40.615 40.800 0.086 0.000 0.906 17 D HN 0.165 nan 8.370 nan 0.000 0.528 18 Y N 1.905 122.190 120.300 -0.024 0.000 2.526 18 Y HA 0.137 4.686 4.550 -0.000 0.000 0.330 18 Y C 0.140 176.026 175.900 -0.024 0.000 1.156 18 Y CA 0.063 58.146 58.100 -0.029 0.000 1.419 18 Y CB 0.268 38.637 38.460 -0.152 0.000 1.250 18 Y HN -0.312 nan 8.280 nan 0.000 0.540 19 K N 2.031 121.943 120.400 -0.812 0.000 2.395 19 K HA 0.261 4.581 4.320 -0.000 0.000 0.245 19 K C 0.843 176.973 176.600 -0.783 0.000 1.017 19 K CA -0.242 55.692 56.287 -0.588 0.000 0.852 19 K CB 1.668 34.009 32.500 -0.265 0.000 1.311 19 K HN 0.599 nan 8.250 nan 0.000 0.452 20 T N -2.476 111.854 114.554 -0.375 0.000 3.072 20 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 20 T C 0.680 175.302 174.700 -0.131 0.000 1.127 20 T CA 0.962 62.940 62.100 -0.203 0.000 1.107 20 T CB -0.177 68.656 68.868 -0.059 0.000 0.910 20 T HN 0.555 nan 8.240 nan 0.000 0.513 21 E N 1.290 121.402 120.200 -0.147 0.000 2.479 21 E HA 0.177 4.526 4.350 -0.000 0.000 0.193 21 E C 0.122 176.666 176.600 -0.094 0.000 1.049 21 E CA -0.319 56.030 56.400 -0.085 0.000 0.870 21 E CB 0.301 29.965 29.700 -0.061 0.000 0.944 21 E HN 0.399 nan 8.360 nan 0.000 0.492 22 S N 0.661 116.265 115.700 -0.159 0.000 2.576 22 S HA 0.040 4.510 4.470 -0.000 0.000 0.276 22 S C 1.229 175.852 174.600 0.039 0.000 1.339 22 S CA -0.278 57.879 58.200 -0.072 0.000 1.039 22 S CB 1.355 64.526 63.200 -0.048 0.000 0.902 22 S HN 0.266 nan 8.310 nan 0.000 0.516 23 S N 1.338 117.068 115.700 0.049 0.000 2.470 23 S HA 0.254 4.723 4.470 -0.000 0.000 0.222 23 S C 0.031 174.711 174.600 0.134 0.000 1.024 23 S CA -0.173 58.073 58.200 0.077 0.000 0.931 23 S CB -0.228 62.995 63.200 0.038 0.000 0.791 23 S HN 0.481 nan 8.310 nan 0.000 0.513 24 L N 0.368 121.686 121.223 0.158 0.000 2.493 24 L HA 0.680 5.019 4.340 -0.000 0.000 0.265 24 L C -1.856 175.191 176.870 0.295 0.000 0.954 24 L CA -0.925 54.038 54.840 0.204 0.000 0.844 24 L CB 2.037 44.154 42.059 0.096 0.000 1.302 24 L HN 0.235 nan 8.230 nan 0.000 0.405 25 F N 5.623 125.693 119.950 0.201 0.000 2.469 25 F HA 0.725 5.252 4.527 -0.000 0.000 0.332 25 F C -1.584 174.360 175.800 0.240 0.000 1.103 25 F CA -0.620 57.468 58.000 0.147 0.000 0.979 25 F CB 1.449 40.441 39.000 -0.014 0.000 1.137 25 F HN 0.424 nan 8.300 nan 0.000 0.463 26 F N 5.483 125.031 119.950 -0.671 0.000 2.915 26 F HA 0.656 5.182 4.527 -0.000 0.000 0.350 26 F C -1.485 174.045 175.800 -0.450 0.000 1.248 26 F CA -0.549 57.265 58.000 -0.310 0.000 1.084 26 F CB 1.004 39.940 39.000 -0.107 0.000 1.391 26 F HN 0.635 nan 8.300 nan 0.000 0.548 27 A N 4.541 127.014 122.820 -0.578 0.000 2.277 27 A HA 0.696 5.016 4.320 -0.000 0.000 0.318 27 A C -0.544 176.786 177.584 -0.423 0.000 1.339 27 A CA 0.021 51.809 52.037 -0.415 0.000 0.875 27 A CB 0.515 19.394 19.000 -0.201 0.000 1.158 27 A HN 0.844 nan 8.150 nan 0.000 0.514 28 S N 2.165 117.676 115.700 -0.315 0.000 2.726 28 S HA 0.742 5.212 4.470 -0.000 0.000 0.308 28 S C -2.397 172.040 174.600 -0.272 0.000 1.115 28 S CA -1.406 56.573 58.200 -0.367 0.000 0.965 28 S CB 1.411 64.685 63.200 0.123 0.000 1.145 28 S HN 0.208 nan 8.310 nan 0.000 0.532 29 P HA 0.049 nan 4.420 nan 0.000 0.226 29 P C 1.202 178.475 177.300 -0.046 0.000 1.153 29 P CA 1.119 64.127 63.100 -0.154 0.000 0.777 29 P CB -0.212 31.404 31.700 -0.139 0.000 0.794 30 T N -3.860 110.706 114.554 0.019 0.000 3.044 30 T HA 0.171 4.521 4.350 -0.000 0.000 0.250 30 T C 0.722 175.428 174.700 0.010 0.000 1.081 30 T CA -0.238 61.879 62.100 0.028 0.000 1.040 30 T CB -0.081 68.825 68.868 0.063 0.000 0.962 30 T HN 0.190 nan 8.240 nan 0.000 0.506 31 R N -0.922 119.582 120.500 0.007 0.000 2.832 31 R HA 0.438 4.778 4.340 -0.000 0.000 0.283 31 R C -2.116 174.140 176.300 -0.072 0.000 0.998 31 R CA -0.836 55.245 56.100 -0.032 0.000 0.843 31 R CB 0.331 30.607 30.300 -0.040 0.000 1.332 31 R HN -0.014 nan 8.270 nan 0.000 0.490 32 T N 1.357 115.842 114.554 -0.116 0.000 2.881 32 T HA 0.591 4.940 4.350 -0.000 0.000 0.290 32 T C -0.519 174.050 174.700 -0.217 0.000 1.000 32 T CA -0.590 61.391 62.100 -0.199 0.000 0.978 32 T CB 1.170 69.944 68.868 -0.157 0.000 0.997 32 T HN 0.387 nan 8.240 nan 0.000 0.443 33 I N 3.121 123.515 120.570 -0.293 0.000 2.465 33 I HA 0.539 4.708 4.170 -0.000 0.000 0.291 33 I C -1.203 174.798 176.117 -0.193 0.000 1.014 33 I CA -1.073 60.075 61.300 -0.255 0.000 1.093 33 I CB 2.032 39.825 38.000 -0.345 0.000 1.267 33 I HN 0.336 nan 8.210 nan 0.000 0.431 34 L N 6.573 127.765 121.223 -0.051 0.000 2.356 34 L HA 0.850 5.190 4.340 -0.000 0.000 0.277 34 L C -0.635 176.238 176.870 0.004 0.000 0.996 34 L CA -0.147 54.744 54.840 0.086 0.000 0.822 34 L CB 1.503 43.685 42.059 0.205 0.000 1.256 34 L HN 0.680 nan 8.230 nan 0.000 0.413 35 A N 4.440 127.259 122.820 -0.002 0.000 2.331 35 A HA 0.829 5.148 4.320 -0.000 0.000 0.320 35 A C -0.911 176.592 177.584 -0.135 0.000 1.138 35 A CA -0.592 51.388 52.037 -0.095 0.000 0.790 35 A CB 0.942 19.904 19.000 -0.063 0.000 1.206 35 A HN 0.631 nan 8.150 nan 0.000 0.470 36 E N 1.075 121.065 120.200 -0.349 0.000 2.187 36 E HA 0.586 4.935 4.350 -0.000 0.000 0.268 36 E C 0.326 176.738 176.600 -0.312 0.000 0.896 36 E CA 0.434 56.600 56.400 -0.390 0.000 0.766 36 E CB 1.838 31.098 29.700 -0.734 0.000 1.142 36 E HN 1.659 nan 8.360 nan 0.000 0.408 37 G N 2.861 111.581 108.800 -0.135 0.000 2.795 37 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.664 37 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.664 37 G C -0.847 174.067 174.900 0.023 0.000 1.381 37 G CA -0.743 44.337 45.100 -0.033 0.000 0.853 37 G HN 0.521 nan 8.290 nan 0.000 0.545 38 E N 0.023 120.270 120.200 0.078 0.000 2.331 38 E HA 0.446 4.795 4.350 -0.000 0.000 0.243 38 E C 0.281 176.983 176.600 0.170 0.000 0.925 38 E CA -0.820 55.640 56.400 0.099 0.000 0.760 38 E CB 1.206 30.946 29.700 0.066 0.000 1.254 38 E HN 0.356 nan 8.360 nan 0.000 0.419 39 F N 1.976 121.934 119.950 0.014 0.000 2.098 39 F HA 0.011 4.538 4.527 -0.001 0.000 0.294 39 F C 0.742 176.560 175.800 0.030 0.000 1.107 39 F CA 1.083 59.098 58.000 0.025 0.000 1.234 39 F CB 0.658 39.676 39.000 0.029 0.000 1.002 39 F HN 0.155 nan 8.300 nan 0.000 0.472 40 T N 0.044 114.646 114.554 0.080 0.000 2.886 40 T HA 0.448 4.798 4.350 -0.000 0.000 0.292 40 T C -0.762 173.970 174.700 0.052 0.000 1.012 40 T CA -0.583 61.517 62.100 -0.001 0.000 0.982 40 T CB 1.922 70.804 68.868 0.023 0.000 1.018 40 T HN -0.180 nan 8.240 nan 0.000 0.451 41 T N 2.013 116.591 114.554 0.040 0.000 2.829 41 T HA 0.654 5.004 4.350 -0.000 0.000 0.280 41 T C -1.009 173.743 174.700 0.087 0.000 0.999 41 T CA -0.595 61.550 62.100 0.075 0.000 0.983 41 T CB 1.723 70.631 68.868 0.066 0.000 0.968 41 T HN 0.451 nan 8.240 nan 0.000 0.446 42 V N 4.099 124.095 119.914 0.137 0.000 2.531 42 V HA 0.613 4.732 4.120 -0.000 0.000 0.301 42 V C -1.229 175.016 176.094 0.253 0.000 1.034 42 V CA -0.675 61.730 62.300 0.175 0.000 0.865 42 V CB 1.438 33.357 31.823 0.160 0.000 0.995 42 V HN 0.790 nan 8.190 nan 0.000 0.424 43 K N 4.543 125.063 120.400 0.199 0.000 2.259 43 K HA 0.693 5.013 4.320 -0.000 0.000 0.249 43 K C -1.476 175.241 176.600 0.196 0.000 0.942 43 K CA -0.845 55.528 56.287 0.144 0.000 0.816 43 K CB 2.125 34.679 32.500 0.089 0.000 1.155 43 K HN 0.845 nan 8.250 nan 0.000 0.428 44 H N -0.070 118.947 119.070 -0.089 0.000 2.996 44 H HA 0.156 4.712 4.556 -0.000 0.000 0.368 44 H C 0.215 175.493 175.328 -0.084 0.000 1.185 44 H CA -0.664 55.363 56.048 -0.035 0.000 1.160 44 H CB 1.037 30.796 29.762 -0.005 0.000 1.820 44 H HN 0.814 nan 8.280 nan 0.000 0.547 45 H N 1.015 119.763 119.070 -0.537 0.000 2.482 45 H HA 0.151 4.707 4.556 -0.000 0.000 0.286 45 H C -0.021 175.105 175.328 -0.337 0.000 1.017 45 H CA 0.477 56.307 56.048 -0.363 0.000 1.322 45 H CB 0.708 30.298 29.762 -0.288 0.000 1.426 45 H HN 0.256 nan 8.280 nan 0.000 0.546 46 E N 0.709 120.276 120.200 -1.054 0.000 2.182 46 E HA 0.167 4.517 4.350 -0.000 0.000 0.258 46 E C 0.630 177.073 176.600 -0.261 0.000 0.879 46 E CA -0.541 55.423 56.400 -0.726 0.000 0.754 46 E CB 0.633 29.782 29.700 -0.918 0.000 1.162 46 E HN 0.436 nan 8.360 nan 0.000 0.419 47 I N 3.548 123.994 120.570 -0.208 0.000 2.248 47 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 47 I C 1.220 177.337 176.117 0.000 0.000 1.107 47 I CA 1.259 62.496 61.300 -0.105 0.000 1.373 47 I CB 0.391 38.319 38.000 -0.120 0.000 1.055 47 I HN 0.561 nan 8.210 nan 0.000 0.418 48 E N 0.412 120.588 120.200 -0.039 0.000 2.204 48 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 48 E C 1.935 178.557 176.600 0.037 0.000 0.989 48 E CA 1.439 57.831 56.400 -0.012 0.000 0.824 48 E CB -0.109 29.569 29.700 -0.037 0.000 0.756 48 E HN 0.603 nan 8.360 nan 0.000 0.477 49 S N -0.547 115.211 115.700 0.096 0.000 2.582 49 S HA 0.092 4.562 4.470 -0.000 0.000 0.234 49 S C 1.279 175.966 174.600 0.145 0.000 0.961 49 S CA -0.555 57.726 58.200 0.135 0.000 0.953 49 S CB -0.190 63.129 63.200 0.197 0.000 0.800 49 S HN 0.048 nan 8.310 nan 0.000 0.471 50 F N 3.690 123.623 119.950 -0.028 0.000 2.206 50 F HA 0.255 4.782 4.527 -0.000 0.000 0.298 50 F C -1.306 174.399 175.800 -0.158 0.000 1.090 50 F CA 0.114 58.037 58.000 -0.127 0.000 1.323 50 F CB -1.253 37.720 39.000 -0.045 0.000 1.028 50 F HN 0.165 nan 8.300 nan 0.000 0.492 51 P HA -0.199 nan 4.420 nan 0.000 0.216 51 P C 1.377 178.551 177.300 -0.210 0.000 1.153 51 P CA 2.070 65.029 63.100 -0.235 0.000 0.858 51 P CB -0.111 31.498 31.700 -0.151 0.000 0.789 52 E N -0.932 119.186 120.200 -0.136 0.000 2.106 52 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 52 E C 1.912 178.425 176.600 -0.145 0.000 0.984 52 E CA 0.687 57.020 56.400 -0.111 0.000 0.806 52 E CB -0.693 28.971 29.700 -0.061 0.000 0.750 52 E HN 0.120 nan 8.360 nan 0.000 0.458 53 L N 0.891 121.993 121.223 -0.201 0.000 2.046 53 L HA -0.151 4.188 4.340 -0.000 0.000 0.208 53 L C 2.206 178.938 176.870 -0.231 0.000 1.077 53 L CA 1.391 56.104 54.840 -0.212 0.000 0.747 53 L CB -0.396 41.486 42.059 -0.296 0.000 0.896 53 L HN -0.080 nan 8.230 nan 0.000 0.432 54 V N -0.327 119.359 119.914 -0.379 0.000 2.295 54 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 54 V C 2.713 178.694 176.094 -0.189 0.000 1.049 54 V CA 1.726 63.810 62.300 -0.359 0.000 1.024 54 V CB -0.686 30.804 31.823 -0.556 0.000 0.648 54 V HN 0.522 nan 8.190 nan 0.000 0.447 55 Q N -0.159 119.544 119.800 -0.162 0.000 2.124 55 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 55 Q C 2.426 178.388 176.000 -0.064 0.000 0.977 55 Q CA 1.904 57.651 55.803 -0.093 0.000 0.850 55 Q CB -0.784 27.907 28.738 -0.078 0.000 0.901 55 Q HN 0.657 nan 8.270 nan 0.000 0.429 56 A N 0.218 122.996 122.820 -0.070 0.000 1.933 56 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 56 A C 2.424 179.991 177.584 -0.029 0.000 1.175 56 A CA 1.494 53.505 52.037 -0.042 0.000 0.628 56 A CB -0.548 18.427 19.000 -0.042 0.000 0.814 56 A HN 0.216 nan 8.150 nan 0.000 0.444 57 V N -0.103 119.786 119.914 -0.041 0.000 2.453 57 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 57 V C 2.514 178.611 176.094 0.005 0.000 1.048 57 V CA 1.710 64.001 62.300 -0.015 0.000 1.049 57 V CB -0.632 31.177 31.823 -0.022 0.000 0.672 57 V HN 0.557 nan 8.190 nan 0.000 0.457 58 L N -0.712 120.505 121.223 -0.009 0.000 2.056 58 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 58 L C 2.770 179.650 176.870 0.017 0.000 1.078 58 L CA 1.531 56.377 54.840 0.010 0.000 0.749 58 L CB -0.552 41.507 42.059 0.001 0.000 0.901 58 L HN 0.197 nan 8.230 nan 0.000 0.433 59 R N -0.021 120.482 120.500 0.005 0.000 2.091 59 R HA -0.212 4.127 4.340 -0.000 0.000 0.238 59 R C 2.098 178.410 176.300 0.020 0.000 1.136 59 R CA 1.926 58.032 56.100 0.010 0.000 0.959 59 R CB -0.426 29.875 30.300 0.002 0.000 0.856 59 R HN 0.363 nan 8.270 nan 0.000 0.437 60 N N 0.440 119.153 118.700 0.022 0.000 2.084 60 N HA -0.157 4.582 4.740 -0.000 0.000 0.190 60 N C 1.640 177.182 175.510 0.054 0.000 1.030 60 N CA 1.634 54.704 53.050 0.033 0.000 0.849 60 N CB -0.116 38.390 38.487 0.031 0.000 1.012 60 N HN 0.215 nan 8.380 nan 0.000 0.423 61 A N 0.490 123.348 122.820 0.065 0.000 1.883 61 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 61 A C 2.141 179.761 177.584 0.061 0.000 1.186 61 A CA 2.008 54.098 52.037 0.089 0.000 0.624 61 A CB -0.829 18.230 19.000 0.098 0.000 0.822 61 A HN 0.388 nan 8.150 nan 0.000 0.444 62 K N 0.363 120.788 120.400 0.042 0.000 2.001 62 K HA -0.267 4.053 4.320 -0.000 0.000 0.214 62 K C 2.199 178.816 176.600 0.029 0.000 1.050 62 K CA 2.405 58.710 56.287 0.030 0.000 0.934 62 K CB -0.473 32.042 32.500 0.024 0.000 0.718 62 K HN 0.646 nan 8.250 nan 0.000 0.443 63 Q N -0.696 119.122 119.800 0.030 0.000 2.369 63 Q HA 0.093 4.433 4.340 -0.000 0.000 0.206 63 Q C 1.421 177.442 176.000 0.034 0.000 0.963 63 Q CA 1.446 57.266 55.803 0.027 0.000 0.894 63 Q CB -0.325 28.427 28.738 0.023 0.000 0.965 63 Q HN 0.274 nan 8.270 nan 0.000 0.475 64 A N 0.323 123.172 122.820 0.049 0.000 2.278 64 A HA 0.543 4.863 4.320 -0.000 0.000 0.212 64 A C 1.420 179.036 177.584 0.052 0.000 1.213 64 A CA 0.304 52.379 52.037 0.063 0.000 0.840 64 A CB -0.507 18.554 19.000 0.102 0.000 0.866 64 A HN 0.828 nan 8.150 nan 0.000 0.489 65 G N -0.516 108.303 108.800 0.031 0.000 2.138 65 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.193 65 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.193 65 G C -0.172 174.721 174.900 -0.011 0.000 0.998 65 G CA 0.023 45.129 45.100 0.010 0.000 0.668 65 G HN 0.558 nan 8.290 nan 0.000 0.516 66 N N 0.956 119.653 118.700 -0.004 0.000 2.419 66 N HA 0.452 5.192 4.740 -0.000 0.000 0.264 66 N C -0.601 174.907 175.510 -0.003 0.000 1.031 66 N CA -1.854 51.185 53.050 -0.019 0.000 0.951 66 N CB 1.991 40.470 38.487 -0.012 0.000 1.101 66 N HN 0.081 nan 8.380 nan 0.000 0.488 67 P HA 0.009 nan 4.420 nan 0.000 0.221 67 P C -0.177 177.127 177.300 0.006 0.000 1.155 67 P CA 0.806 63.905 63.100 -0.002 0.000 0.812 67 P CB 0.405 32.100 31.700 -0.008 0.000 0.801 68 N N 0.495 119.198 118.700 0.005 0.000 2.904 68 N HA 0.232 4.972 4.740 -0.000 0.000 0.257 68 N C -2.756 172.766 175.510 0.020 0.000 1.363 68 N CA -2.452 50.606 53.050 0.013 0.000 0.856 68 N CB 0.437 38.925 38.487 0.001 0.000 1.166 68 N HN -0.037 nan 8.380 nan 0.000 0.499 69 P HA 0.290 nan 4.420 nan 0.000 0.281 69 P C -0.320 177.014 177.300 0.058 0.000 1.252 69 P CA -0.384 62.740 63.100 0.040 0.000 0.778 69 P CB 1.061 32.787 31.700 0.044 0.000 0.895 70 I N 0.959 121.566 120.570 0.060 0.000 2.892 70 I HA 0.732 4.902 4.170 -0.000 0.000 0.306 70 I C -0.489 175.680 176.117 0.087 0.000 1.078 70 I CA -1.559 59.798 61.300 0.095 0.000 1.032 70 I CB 2.483 40.539 38.000 0.093 0.000 1.229 70 I HN 0.100 nan 8.210 nan 0.000 0.435 71 V N 2.665 122.645 119.914 0.109 0.000 2.667 71 V HA 0.890 5.010 4.120 -0.000 0.000 0.308 71 V C -0.049 176.117 176.094 0.120 0.000 1.048 71 V CA -0.573 61.791 62.300 0.107 0.000 0.928 71 V CB 1.156 33.037 31.823 0.097 0.000 1.004 71 V HN 0.880 nan 8.190 nan 0.000 0.444 72 V N 0.198 120.173 119.914 0.101 0.000 3.007 72 V HA 1.140 5.259 4.120 -0.000 0.000 0.311 72 V C 0.071 176.229 176.094 0.106 0.000 1.120 72 V CA 0.371 62.700 62.300 0.049 0.000 0.980 72 V CB 1.174 33.003 31.823 0.009 0.000 1.033 72 V HN 2.145 nan 8.190 nan 0.000 0.429 73 G N 1.131 109.991 108.800 0.099 0.000 2.368 73 G HA2 0.725 4.685 3.960 -0.000 0.000 0.269 73 G HA3 0.725 4.685 3.960 -0.000 0.000 0.269 73 G C -0.932 174.051 174.900 0.139 0.000 1.291 73 G CA 0.168 45.337 45.100 0.114 0.000 0.903 73 G HN 2.182 nan 8.290 nan 0.000 0.483 74 A N -1.083 121.797 122.820 0.099 0.000 2.449 74 A HA 0.854 5.174 4.320 -0.000 0.000 0.302 74 A C -1.481 176.249 177.584 0.243 0.000 1.048 74 A CA -0.473 51.627 52.037 0.104 0.000 0.708 74 A CB 1.853 20.784 19.000 -0.116 0.000 1.274 74 A HN 1.172 nan 8.150 nan 0.000 0.410 75 L N 1.898 123.270 121.223 0.249 0.000 2.333 75 L HA 0.712 5.052 4.340 -0.000 0.000 0.269 75 L C -2.225 174.763 176.870 0.198 0.000 1.010 75 L CA -1.758 53.195 54.840 0.188 0.000 0.818 75 L CB 1.580 43.606 42.059 -0.056 0.000 1.306 75 L HN 0.447 nan 8.230 nan 0.000 0.430 76 P HA 0.194 nan 4.420 nan 0.000 0.278 76 P C 0.544 177.882 177.300 0.063 0.000 1.266 76 P CA -0.460 62.559 63.100 -0.134 0.000 0.807 76 P CB 0.567 32.075 31.700 -0.319 0.000 1.094 77 F N 0.592 120.510 119.950 -0.054 0.000 2.069 77 F HA -0.126 4.400 4.527 -0.000 0.000 0.298 77 F C 0.729 176.523 175.800 -0.011 0.000 1.113 77 F CA 1.415 59.421 58.000 0.011 0.000 1.214 77 F CB -0.548 38.394 39.000 -0.096 0.000 0.978 77 F HN 0.169 nan 8.300 nan 0.000 0.474 78 D N 0.835 121.062 120.400 -0.287 0.000 2.344 78 D HA 0.053 4.693 4.640 -0.000 0.000 0.253 78 D C 1.229 177.360 176.300 -0.282 0.000 1.255 78 D CA 0.121 53.870 54.000 -0.419 0.000 0.894 78 D CB 0.609 41.307 40.800 -0.170 0.000 1.067 78 D HN 0.269 nan 8.370 nan 0.000 0.492 79 R N 2.519 122.813 120.500 -0.343 0.000 2.249 79 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 79 R C 1.626 177.815 176.300 -0.186 0.000 1.121 79 R CA 1.013 56.978 56.100 -0.224 0.000 0.997 79 R CB 0.234 30.381 30.300 -0.256 0.000 0.867 79 R HN 0.392 nan 8.270 nan 0.000 0.465 80 R N 0.202 120.592 120.500 -0.183 0.000 2.240 80 R HA 0.044 4.384 4.340 -0.000 0.000 0.203 80 R C 0.387 176.609 176.300 -0.131 0.000 1.011 80 R CA 0.420 56.432 56.100 -0.147 0.000 1.007 80 R CB 0.163 30.389 30.300 -0.124 0.000 0.911 80 R HN 0.052 nan 8.270 nan 0.000 0.468 81 K N 1.567 121.886 120.400 -0.135 0.000 2.276 81 K HA -0.022 4.297 4.320 -0.000 0.000 0.259 81 K C 0.164 176.683 176.600 -0.134 0.000 1.001 81 K CA -0.111 56.105 56.287 -0.119 0.000 0.927 81 K CB 0.501 32.925 32.500 -0.127 0.000 0.969 81 K HN 0.049 nan 8.250 nan 0.000 0.490 82 E N 1.285 121.421 120.200 -0.107 0.000 2.442 82 E HA 0.033 4.383 4.350 -0.000 0.000 0.262 82 E C -0.715 175.794 176.600 -0.150 0.000 1.004 82 E CA -0.519 55.810 56.400 -0.118 0.000 0.928 82 E CB 0.655 30.322 29.700 -0.056 0.000 0.937 82 E HN 0.324 nan 8.360 nan 0.000 0.446 83 V N 1.156 120.909 119.914 -0.267 0.000 2.815 83 V HA 0.608 4.727 4.120 -0.000 0.000 0.314 83 V C -0.784 175.110 176.094 -0.332 0.000 1.064 83 V CA -0.844 61.247 62.300 -0.349 0.000 0.952 83 V CB 1.640 33.071 31.823 -0.653 0.000 1.020 83 V HN 0.868 nan 8.190 nan 0.000 0.439 84 Q N 1.920 121.668 119.800 -0.087 0.000 2.320 84 Q HA 0.737 5.076 4.340 -0.000 0.000 0.272 84 Q C -2.234 173.936 176.000 0.284 0.000 1.023 84 Q CA -0.657 55.223 55.803 0.128 0.000 0.855 84 Q CB 2.625 31.438 28.738 0.125 0.000 1.367 84 Q HN 0.948 nan 8.270 nan 0.000 0.406 85 L N 2.850 124.300 121.223 0.378 0.000 2.303 85 L HA 0.681 5.021 4.340 -0.000 0.000 0.256 85 L C -0.839 176.142 176.870 0.184 0.000 1.034 85 L CA -1.094 53.913 54.840 0.277 0.000 0.832 85 L CB 2.367 44.602 42.059 0.294 0.000 1.403 85 L HN 0.608 nan 8.230 nan 0.000 0.419 86 I N 0.609 121.264 120.570 0.141 0.000 2.509 86 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 86 I C -0.810 175.366 176.117 0.099 0.000 1.020 86 I CA -0.809 60.557 61.300 0.109 0.000 1.088 86 I CB 2.431 40.486 38.000 0.092 0.000 1.267 86 I HN 0.103 nan 8.210 nan 0.000 0.430 87 V N 8.286 128.263 119.914 0.104 0.000 2.364 87 V HA 0.300 4.420 4.120 -0.000 0.000 0.272 87 V C -1.976 174.195 176.094 0.129 0.000 1.036 87 V CA -1.511 60.855 62.300 0.110 0.000 0.880 87 V CB 0.970 32.873 31.823 0.134 0.000 0.991 87 V HN 0.540 nan 8.190 nan 0.000 0.460 88 P HA 0.241 nan 4.420 nan 0.000 0.276 88 P C 0.624 177.943 177.300 0.033 0.000 1.244 88 P CA -0.282 62.841 63.100 0.038 0.000 0.801 88 P CB 1.459 33.132 31.700 -0.045 0.000 1.006 89 E N 0.582 120.778 120.200 -0.005 0.000 2.038 89 E HA -0.141 4.208 4.350 -0.000 0.000 0.195 89 E C 0.145 176.743 176.600 -0.002 0.000 1.000 89 E CA 1.831 58.177 56.400 -0.090 0.000 0.803 89 E CB -0.236 29.461 29.700 -0.004 0.000 0.750 89 E HN 0.615 nan 8.360 nan 0.000 0.448 90 Y N -1.867 118.390 120.300 -0.072 0.000 2.625 90 Y HA 0.543 5.093 4.550 -0.001 0.000 0.338 90 Y C -0.834 175.042 175.900 -0.039 0.000 1.123 90 Y CA -1.395 56.665 58.100 -0.067 0.000 1.046 90 Y CB 1.282 39.700 38.460 -0.071 0.000 1.299 90 Y HN -0.158 nan 8.280 nan 0.000 0.464 91 S N 1.167 116.917 115.700 0.083 0.000 2.540 91 S HA 0.818 5.288 4.470 -0.000 0.000 0.275 91 S C -1.391 173.244 174.600 0.057 0.000 1.123 91 S CA -1.126 57.070 58.200 -0.005 0.000 0.907 91 S CB 2.170 65.326 63.200 -0.073 0.000 1.081 91 S HN 0.835 nan 8.310 nan 0.000 0.476 92 R N 1.135 121.655 120.500 0.033 0.000 2.637 92 R HA 0.728 5.068 4.340 -0.000 0.000 0.291 92 R C -1.038 175.229 176.300 -0.054 0.000 0.963 92 R CA -0.563 55.550 56.100 0.021 0.000 0.901 92 R CB 1.725 32.067 30.300 0.070 0.000 1.160 92 R HN 0.707 nan 8.270 nan 0.000 0.457 93 I N 1.818 122.344 120.570 -0.073 0.000 2.468 93 I HA 0.292 4.461 4.170 -0.000 0.000 0.285 93 I C -0.116 175.953 176.117 -0.081 0.000 1.039 93 I CA -0.481 60.745 61.300 -0.123 0.000 1.074 93 I CB 1.879 39.770 38.000 -0.182 0.000 1.228 93 I HN 0.714 nan 8.210 nan 0.000 0.436 94 S N 4.588 120.244 115.700 -0.074 0.000 2.801 94 S HA 0.589 5.059 4.470 -0.000 0.000 0.312 94 S C -0.143 174.425 174.600 -0.054 0.000 1.112 94 S CA -0.859 57.312 58.200 -0.048 0.000 0.943 94 S CB 1.901 65.087 63.200 -0.023 0.000 1.269 94 S HN 0.463 nan 8.310 nan 0.000 0.558 95 E N 0.822 120.998 120.200 -0.039 0.000 2.620 95 E HA 0.196 4.546 4.350 -0.000 0.000 0.255 95 E C 0.425 177.000 176.600 -0.042 0.000 1.346 95 E CA -0.399 55.978 56.400 -0.038 0.000 1.013 95 E CB 0.302 29.985 29.700 -0.029 0.000 1.131 95 E HN 0.708 nan 8.360 nan 0.000 0.608 96 R N 0.129 120.602 120.500 -0.044 0.000 2.707 96 R HA 0.192 4.532 4.340 -0.000 0.000 0.270 96 R C -0.122 176.151 176.300 -0.045 0.000 1.083 96 R CA -0.655 55.412 56.100 -0.056 0.000 1.182 96 R CB 0.162 30.423 30.300 -0.064 0.000 1.084 96 R HN 0.187 nan 8.270 nan 0.000 0.528 97 L N 2.024 123.218 121.223 -0.049 0.000 2.410 97 L HA 0.093 4.433 4.340 -0.000 0.000 0.273 97 L C -0.529 176.317 176.870 -0.041 0.000 1.152 97 L CA 0.679 55.505 54.840 -0.023 0.000 0.855 97 L CB 1.009 43.069 42.059 0.000 0.000 1.129 97 L HN 0.600 nan 8.230 nan 0.000 0.463 98 Q N 7.214 126.995 119.800 -0.032 0.000 2.363 98 Q HA 0.501 4.841 4.340 -0.000 0.000 0.265 98 Q C -1.347 174.627 176.000 -0.043 0.000 1.032 98 Q CA -0.211 55.568 55.803 -0.042 0.000 0.746 98 Q CB 2.017 30.736 28.738 -0.032 0.000 1.237 98 Q HN 0.578 nan 8.270 nan 0.000 0.475 99 L N 0.642 121.828 121.223 -0.062 0.000 2.436 99 L HA 0.504 4.843 4.340 -0.000 0.000 0.268 99 L C -0.157 176.661 176.870 -0.088 0.000 0.974 99 L CA -0.778 54.020 54.840 -0.070 0.000 0.826 99 L CB 2.163 44.174 42.059 -0.079 0.000 1.291 99 L HN 0.627 nan 8.230 nan 0.000 0.406 100 D N 3.311 123.666 120.400 -0.075 0.000 2.225 100 D HA 0.555 5.195 4.640 -0.000 0.000 0.248 100 D C -2.393 173.846 176.300 -0.102 0.000 1.096 100 D CA -1.400 52.551 54.000 -0.082 0.000 0.863 100 D CB 0.772 41.539 40.800 -0.054 0.000 1.156 100 D HN 0.298 nan 8.370 nan 0.000 0.450 101 P HA 0.367 nan 4.420 nan 0.000 0.263 101 P C 0.274 177.530 177.300 -0.074 0.000 1.175 101 P CA 0.542 63.543 63.100 -0.165 0.000 0.761 101 P CB 0.766 32.355 31.700 -0.186 0.000 0.794 112 T N 1.956 116.324 114.554 -0.309 0.000 2.795 112 T HA 0.650 5.000 4.350 -0.000 0.000 0.282 112 T C -0.631 173.796 174.700 -0.455 0.000 0.980 112 T CA -0.241 61.715 62.100 -0.240 0.000 1.012 112 T CB 0.666 69.454 68.868 -0.134 0.000 0.936 112 T HN 0.120 nan 8.240 nan 0.000 0.457 113 F N 1.596 121.523 119.950 -0.040 0.000 2.443 113 F HA 0.549 5.075 4.527 -0.000 0.000 0.335 113 F C 0.864 176.632 175.800 -0.054 0.000 1.104 113 F CA -0.955 57.016 58.000 -0.048 0.000 1.013 113 F CB 1.402 40.368 39.000 -0.055 0.000 1.136 113 F HN 0.530 nan 8.300 nan 0.000 0.470 117 P HA 0.413 nan 4.420 nan 0.000 0.271 117 P C -0.801 176.433 177.300 -0.111 0.000 1.220 117 P CA -0.419 62.597 63.100 -0.139 0.000 0.768 117 P CB 0.686 32.338 31.700 -0.080 0.000 0.848 118 V N 6.053 125.867 119.914 -0.166 0.000 2.357 118 V HA 0.325 4.445 4.120 -0.000 0.000 0.281 118 V C -1.914 174.057 176.094 -0.206 0.000 1.015 118 V CA -1.647 60.563 62.300 -0.150 0.000 0.827 118 V CB 1.489 33.198 31.823 -0.191 0.000 1.018 118 V HN 0.558 nan 8.190 nan 0.000 0.432 119 P HA 0.357 nan 4.420 nan 0.000 0.297 119 P C -0.717 176.633 177.300 0.083 0.000 1.307 119 P CA -0.414 62.730 63.100 0.074 0.000 0.773 119 P CB 0.968 32.764 31.700 0.160 0.000 1.265 120 D N -2.624 117.829 120.400 0.088 0.000 2.371 120 D HA -0.010 4.629 4.640 -0.000 0.000 0.242 120 D C 1.292 177.727 176.300 0.225 0.000 1.218 120 D CA -0.106 53.950 54.000 0.093 0.000 0.945 120 D CB -0.191 40.630 40.800 0.034 0.000 1.137 120 D HN 0.388 nan 8.370 nan 0.000 0.464 121 H N -0.688 118.421 119.070 0.066 0.000 2.422 121 H HA -0.112 4.444 4.556 -0.000 0.000 0.298 121 H C 1.321 176.740 175.328 0.153 0.000 1.098 121 H CA 1.033 57.149 56.048 0.114 0.000 1.315 121 H CB 0.400 30.205 29.762 0.073 0.000 1.382 121 H HN 0.500 nan 8.280 nan 0.000 0.523 122 E N 0.493 120.826 120.200 0.222 0.000 2.076 122 E HA -0.078 4.271 4.350 -0.000 0.000 0.190 122 E C 2.556 179.231 176.600 0.125 0.000 0.979 122 E CA 0.486 56.973 56.400 0.145 0.000 0.807 122 E CB -0.184 29.571 29.700 0.092 0.000 0.761 122 E HN 0.253 nan 8.360 nan 0.000 0.454 123 V N 1.467 121.461 119.914 0.133 0.000 2.407 123 V HA -0.210 3.909 4.120 -0.000 0.000 0.248 123 V C 1.595 177.772 176.094 0.139 0.000 1.055 123 V CA 1.187 63.558 62.300 0.118 0.000 1.049 123 V CB -0.655 31.240 31.823 0.119 0.000 0.662 123 V HN 0.194 nan 8.190 nan 0.000 0.455 127 G N 1.054 109.794 108.800 -0.100 0.000 2.408 127 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 127 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 127 G C 1.500 176.303 174.900 -0.161 0.000 1.150 127 G CA 1.306 46.344 45.100 -0.104 0.000 0.776 127 G HN 0.362 nan 8.290 nan 0.000 0.542 128 V N 0.814 120.557 119.914 -0.284 0.000 2.343 128 V HA -0.196 3.923 4.120 -0.000 0.000 0.247 128 V C 2.798 178.825 176.094 -0.111 0.000 1.051 128 V CA 2.225 64.385 62.300 -0.233 0.000 1.036 128 V CB -0.400 31.241 31.823 -0.304 0.000 0.654 128 V HN 0.377 nan 8.190 nan 0.000 0.451 129 K N -0.315 120.033 120.400 -0.086 0.000 2.057 129 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 129 K C 2.258 178.837 176.600 -0.035 0.000 1.049 129 K CA 1.625 57.885 56.287 -0.045 0.000 0.931 129 K CB -0.257 32.225 32.500 -0.030 0.000 0.714 129 K HN 0.546 nan 8.250 nan 0.000 0.440 130 Q N -0.180 119.597 119.800 -0.038 0.000 2.135 130 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 130 Q C 2.276 178.263 176.000 -0.023 0.000 0.981 130 Q CA 1.479 57.267 55.803 -0.025 0.000 0.856 130 Q CB -0.247 28.479 28.738 -0.021 0.000 0.902 130 Q HN 0.492 nan 8.270 nan 0.000 0.425 131 G N 0.797 109.578 108.800 -0.033 0.000 2.402 131 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 131 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 131 G C 1.394 176.285 174.900 -0.015 0.000 1.162 131 G CA 0.479 45.565 45.100 -0.023 0.000 0.777 131 G HN 0.191 nan 8.290 nan 0.000 0.539 132 I N 0.739 121.298 120.570 -0.018 0.000 2.069 132 I HA -0.248 3.922 4.170 -0.000 0.000 0.237 132 I C 2.666 178.780 176.117 -0.006 0.000 1.053 132 I CA 1.969 63.263 61.300 -0.009 0.000 1.311 132 I CB -0.355 37.638 38.000 -0.011 0.000 1.030 132 I HN 0.359 nan 8.210 nan 0.000 0.398 133 E N 1.514 121.709 120.200 -0.008 0.000 2.086 133 E HA -0.326 4.023 4.350 -0.000 0.000 0.205 133 E C 2.124 178.722 176.600 -0.004 0.000 1.027 133 E CA 2.047 58.444 56.400 -0.005 0.000 0.830 133 E CB -0.089 29.607 29.700 -0.006 0.000 0.751 133 E HN 0.351 nan 8.360 nan 0.000 0.456 134 K N -0.166 120.231 120.400 -0.005 0.000 2.103 134 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 134 K C 2.256 178.855 176.600 -0.002 0.000 1.048 134 K CA 1.628 57.913 56.287 -0.004 0.000 0.930 134 K CB -0.183 32.314 32.500 -0.004 0.000 0.716 134 K HN 0.326 nan 8.250 nan 0.000 0.444 135 I N 1.095 121.665 120.570 -0.000 0.000 2.286 135 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 135 I C 1.988 178.107 176.117 0.004 0.000 1.104 135 I CA 1.181 62.482 61.300 0.003 0.000 1.397 135 I CB -0.147 37.857 38.000 0.006 0.000 1.072 135 I HN 0.047 nan 8.210 nan 0.000 0.417 136 K N 0.593 120.995 120.400 0.003 0.000 2.360 136 K HA -0.159 4.160 4.320 -0.000 0.000 0.201 136 K C 0.664 177.265 176.600 0.002 0.000 1.046 136 K CA 1.030 57.319 56.287 0.003 0.000 0.945 136 K CB -0.129 32.373 32.500 0.003 0.000 0.750 136 K HN 0.319 nan 8.250 nan 0.000 0.464 137 D N -0.623 119.778 120.400 0.001 0.000 2.349 137 D HA 0.061 4.700 4.640 -0.000 0.000 0.214 137 D C 0.925 177.225 176.300 -0.000 0.000 1.063 137 D CA 0.446 54.446 54.000 -0.000 0.000 0.847 137 D CB 0.648 41.447 40.800 -0.001 0.000 0.933 137 D HN 0.285 nan 8.370 nan 0.000 0.513 138 G N 1.421 110.222 108.800 0.001 0.000 2.153 138 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.252 138 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.252 138 G C 0.753 175.652 174.900 -0.002 0.000 0.994 138 G CA 0.462 45.562 45.100 0.001 0.000 0.698 138 G HN 0.238 nan 8.290 nan 0.000 0.521 139 D N -0.426 119.972 120.400 -0.003 0.000 2.183 139 D HA 0.116 4.755 4.640 -0.000 0.000 0.203 139 D C 1.384 177.681 176.300 -0.006 0.000 0.969 139 D CA 0.966 54.963 54.000 -0.005 0.000 0.842 139 D CB 0.423 41.220 40.800 -0.005 0.000 0.957 139 D HN 0.500 nan 8.370 nan 0.000 0.484 140 L N -0.182 121.039 121.223 -0.003 0.000 2.424 140 L HA 0.267 4.607 4.340 -0.000 0.000 0.258 140 L C 0.860 177.730 176.870 0.000 0.000 0.995 140 L CA -0.754 54.084 54.840 -0.004 0.000 0.821 140 L CB 2.797 44.854 42.059 -0.003 0.000 1.383 140 L HN -0.436 nan 8.230 nan 0.000 0.410 141 K N 0.541 120.941 120.400 -0.001 0.000 2.172 141 K HA 0.144 4.464 4.320 -0.000 0.000 0.203 141 K C 0.125 176.727 176.600 0.004 0.000 1.040 141 K CA 0.669 56.959 56.287 0.004 0.000 0.974 141 K CB 0.249 32.748 32.500 -0.002 0.000 0.857 141 K HN 0.256 nan 8.250 nan 0.000 0.464 142 K N 0.941 121.339 120.400 -0.004 0.000 2.345 142 K HA 0.421 4.740 4.320 -0.000 0.000 0.255 142 K C -1.502 175.100 176.600 0.002 0.000 0.934 142 K CA -0.402 55.883 56.287 -0.003 0.000 0.801 142 K CB 1.281 33.772 32.500 -0.016 0.000 1.137 142 K HN 0.040 nan 8.250 nan 0.000 0.424 143 I N 4.662 125.237 120.570 0.008 0.000 2.499 143 I HA 0.397 4.567 4.170 -0.000 0.000 0.288 143 I C -1.334 174.796 176.117 0.022 0.000 1.048 143 I CA -1.079 60.228 61.300 0.013 0.000 1.062 143 I CB 1.798 39.803 38.000 0.008 0.000 1.238 143 I HN 0.379 nan 8.210 nan 0.000 0.426 144 V N 8.175 128.102 119.914 0.023 0.000 2.364 144 V HA 0.392 4.512 4.120 -0.000 0.000 0.272 144 V C 0.004 176.128 176.094 0.050 0.000 1.036 144 V CA -0.307 62.014 62.300 0.035 0.000 0.880 144 V CB 1.155 32.984 31.823 0.011 0.000 0.991 144 V HN 0.509 nan 8.190 nan 0.000 0.460 145 L N 5.097 126.386 121.223 0.110 0.000 2.334 145 L HA 0.779 5.118 4.340 -0.000 0.000 0.276 145 L C 0.213 177.306 176.870 0.370 0.000 1.014 145 L CA -0.030 54.919 54.840 0.181 0.000 0.815 145 L CB 2.270 44.387 42.059 0.098 0.000 1.268 145 L HN 0.821 nan 8.230 nan 0.000 0.428 146 S N 2.301 118.265 115.700 0.441 0.000 2.697 146 S HA 0.900 5.370 4.470 -0.000 0.000 0.289 146 S C -0.933 173.976 174.600 0.515 0.000 1.149 146 S CA -0.969 57.499 58.200 0.447 0.000 0.850 146 S CB 2.666 66.170 63.200 0.507 0.000 1.151 146 S HN 0.761 nan 8.310 nan 0.000 0.491 147 R N -0.682 119.932 120.500 0.190 0.000 2.752 147 R HA 0.793 5.133 4.340 -0.000 0.000 0.271 147 R C -1.147 175.000 176.300 -0.255 0.000 1.026 147 R CA -0.727 55.337 56.100 -0.061 0.000 0.901 147 R CB 1.115 31.296 30.300 -0.198 0.000 1.243 147 R HN 0.933 nan 8.270 nan 0.000 0.463 148 S N 0.350 115.696 115.700 -0.590 0.000 2.709 148 S HA 0.765 5.235 4.470 -0.000 0.000 0.302 148 S C -1.120 173.247 174.600 -0.389 0.000 1.127 148 S CA -0.884 57.014 58.200 -0.504 0.000 0.905 148 S CB 1.877 64.559 63.200 -0.864 0.000 1.151 148 S HN 0.536 nan 8.310 nan 0.000 0.510 149 L N 1.649 122.611 121.223 -0.435 0.000 2.541 149 L HA 0.541 4.881 4.340 -0.000 0.000 0.266 149 L C -1.948 174.720 176.870 -0.338 0.000 0.966 149 L CA -0.232 54.348 54.840 -0.433 0.000 0.871 149 L CB 1.604 43.237 42.059 -0.711 0.000 1.232 149 L HN 0.752 nan 8.230 nan 0.000 0.408 150 D N 3.819 124.070 120.400 -0.248 0.000 2.277 150 D HA 0.497 5.136 4.640 -0.000 0.000 0.249 150 D C -0.679 175.548 176.300 -0.123 0.000 1.134 150 D CA 0.189 54.088 54.000 -0.169 0.000 0.863 150 D CB 2.276 43.002 40.800 -0.124 0.000 1.143 150 D HN 0.249 nan 8.370 nan 0.000 0.458 151 V N 3.520 123.386 119.914 -0.080 0.000 2.443 151 V HA 0.259 4.379 4.120 -0.000 0.000 0.293 151 V C 0.116 176.231 176.094 0.035 0.000 1.021 151 V CA -0.822 61.467 62.300 -0.018 0.000 0.848 151 V CB 1.890 33.700 31.823 -0.023 0.000 0.998 151 V HN 0.264 nan 8.190 nan 0.000 0.424 152 K N 2.466 122.893 120.400 0.045 0.000 2.265 152 K HA 0.573 4.893 4.320 -0.000 0.000 0.267 152 K C -0.160 176.455 176.600 0.024 0.000 0.994 152 K CA -0.148 56.155 56.287 0.026 0.000 0.860 152 K CB 1.869 34.365 32.500 -0.006 0.000 1.099 152 K HN 0.673 nan 8.250 nan 0.000 0.448 153 S N 0.697 116.389 115.700 -0.013 0.000 2.646 153 S HA 0.104 4.574 4.470 -0.000 0.000 0.276 153 S C 1.255 175.726 174.600 -0.215 0.000 1.222 153 S CA -0.587 57.482 58.200 -0.217 0.000 1.014 153 S CB 1.087 64.190 63.200 -0.161 0.000 0.991 153 S HN 0.667 nan 8.310 nan 0.000 0.533 154 S N 2.530 118.041 115.700 -0.314 0.000 2.461 154 S HA 0.226 4.695 4.470 -0.000 0.000 0.228 154 S C 0.903 175.412 174.600 -0.151 0.000 1.005 154 S CA 0.237 58.320 58.200 -0.196 0.000 0.942 154 S CB -0.448 62.635 63.200 -0.196 0.000 0.776 154 S HN 0.840 nan 8.310 nan 0.000 0.514 155 G N 0.508 109.205 108.800 -0.172 0.000 2.537 155 G HA2 0.515 4.475 3.960 -0.000 0.000 0.323 155 G HA3 0.515 4.475 3.960 -0.000 0.000 0.323 155 G C -1.217 173.647 174.900 -0.060 0.000 1.207 155 G CA -1.109 43.932 45.100 -0.099 0.000 0.976 155 G HN 0.300 nan 8.290 nan 0.000 0.487 156 K N 0.311 120.694 120.400 -0.028 0.000 2.412 156 K HA 0.185 4.504 4.320 -0.000 0.000 0.281 156 K C 0.027 176.637 176.600 0.016 0.000 1.027 156 K CA -0.273 56.013 56.287 -0.003 0.000 0.989 156 K CB 0.257 32.758 32.500 0.002 0.000 0.935 156 K HN 0.276 nan 8.250 nan 0.000 0.475 157 I N 3.664 124.256 120.570 0.036 0.000 2.533 157 I HA -0.090 4.080 4.170 -0.000 0.000 0.284 157 I C 0.583 176.730 176.117 0.050 0.000 1.109 157 I CA 0.204 61.539 61.300 0.059 0.000 1.412 157 I CB 0.469 38.514 38.000 0.074 0.000 1.396 157 I HN 0.558 nan 8.210 nan 0.000 0.543 158 D N 7.093 127.522 120.400 0.048 0.000 2.402 158 D HA 0.051 4.691 4.640 -0.000 0.000 0.235 158 D C 0.961 177.290 176.300 0.050 0.000 1.226 158 D CA 0.027 54.053 54.000 0.043 0.000 0.918 158 D CB 0.666 41.485 40.800 0.032 0.000 1.043 158 D HN 0.422 nan 8.370 nan 0.000 0.506 159 K N 1.801 122.246 120.400 0.075 0.000 2.097 159 K HA -0.168 4.151 4.320 -0.000 0.000 0.206 159 K C 1.741 178.389 176.600 0.080 0.000 1.049 159 K CA 0.800 57.145 56.287 0.095 0.000 0.933 159 K CB 0.207 32.814 32.500 0.178 0.000 0.717 159 K HN 0.341 nan 8.250 nan 0.000 0.442 160 Q N 1.579 121.451 119.800 0.120 0.000 2.083 160 Q HA -0.120 4.220 4.340 -0.000 0.000 0.198 160 Q C 1.643 177.633 176.000 -0.016 0.000 0.969 160 Q CA 1.602 57.465 55.803 0.099 0.000 0.838 160 Q CB 0.189 29.006 28.738 0.131 0.000 0.900 160 Q HN 0.252 nan 8.270 nan 0.000 0.436 161 K N 0.189 120.588 120.400 -0.002 0.000 2.025 161 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 161 K C 2.206 178.784 176.600 -0.036 0.000 1.049 161 K CA 1.000 57.277 56.287 -0.018 0.000 0.933 161 K CB -0.268 32.233 32.500 0.001 0.000 0.714 161 K HN 0.086 nan 8.250 nan 0.000 0.438 162 L N 1.643 122.848 121.223 -0.029 0.000 2.013 162 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 162 L C 2.123 178.936 176.870 -0.095 0.000 1.073 162 L CA 1.476 56.288 54.840 -0.047 0.000 0.753 162 L CB -0.623 41.417 42.059 -0.030 0.000 0.890 162 L HN 0.119 nan 8.230 nan 0.000 0.432 163 L N -0.336 120.796 121.223 -0.151 0.000 2.046 163 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 163 L C 2.759 179.503 176.870 -0.210 0.000 1.077 163 L CA 2.068 56.759 54.840 -0.249 0.000 0.747 163 L CB -0.724 41.062 42.059 -0.456 0.000 0.896 163 L HN 0.396 nan 8.230 nan 0.000 0.432 164 R N -0.898 119.502 120.500 -0.167 0.000 2.075 164 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 164 R C 2.074 178.336 176.300 -0.064 0.000 1.126 164 R CA 1.199 57.225 56.100 -0.124 0.000 0.963 164 R CB -0.172 30.072 30.300 -0.095 0.000 0.858 164 R HN 0.337 nan 8.270 nan 0.000 0.435 165 E N 0.906 121.089 120.200 -0.030 0.000 2.130 165 E HA -0.224 4.125 4.350 -0.000 0.000 0.196 165 E C 2.063 178.709 176.600 0.076 0.000 0.998 165 E CA 1.221 57.650 56.400 0.047 0.000 0.806 165 E CB -0.200 29.514 29.700 0.024 0.000 0.738 165 E HN 0.422 nan 8.360 nan 0.000 0.459 166 L N 0.109 121.325 121.223 -0.011 0.000 2.044 166 L HA -0.112 4.227 4.340 -0.000 0.000 0.205 166 L C 2.543 179.405 176.870 -0.013 0.000 1.075 166 L CA 1.060 55.890 54.840 -0.017 0.000 0.747 166 L CB -0.465 41.540 42.059 -0.090 0.000 0.903 166 L HN 0.050 nan 8.230 nan 0.000 0.435 167 A N 0.011 122.803 122.820 -0.046 0.000 1.883 167 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 167 A C 2.139 179.677 177.584 -0.077 0.000 1.186 167 A CA 1.849 53.860 52.037 -0.043 0.000 0.624 167 A CB -0.552 18.428 19.000 -0.032 0.000 0.822 167 A HN 0.447 nan 8.150 nan 0.000 0.444 168 E N -1.141 118.993 120.200 -0.110 0.000 2.204 168 E HA -0.162 4.187 4.350 -0.000 0.000 0.195 168 E C 0.849 177.217 176.600 -0.387 0.000 0.990 168 E CA 1.005 57.262 56.400 -0.238 0.000 0.821 168 E CB -0.132 29.398 29.700 -0.284 0.000 0.750 168 E HN 0.707 nan 8.360 nan 0.000 0.477 169 H N -0.783 118.249 119.070 -0.063 0.000 2.505 169 H HA 0.176 4.731 4.556 -0.000 0.000 0.286 169 H C -0.127 175.166 175.328 -0.058 0.000 1.072 169 H CA 0.056 56.069 56.048 -0.059 0.000 1.141 169 H CB 0.234 29.965 29.762 -0.052 0.000 1.550 169 H HN -0.023 nan 8.280 nan 0.000 0.547 170 N N 1.034 119.722 118.700 -0.021 0.000 2.750 170 N HA 0.079 4.819 4.740 -0.000 0.000 0.253 170 N C 0.539 175.971 175.510 -0.131 0.000 1.408 170 N CA -0.262 52.767 53.050 -0.036 0.000 0.780 170 N CB 0.658 39.138 38.487 -0.011 0.000 1.191 170 N HN -0.037 nan 8.380 nan 0.000 0.511 171 K N 0.002 120.261 120.400 -0.235 0.000 2.097 171 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 171 K C 0.588 176.888 176.600 -0.500 0.000 1.050 171 K CA 1.057 57.082 56.287 -0.438 0.000 0.938 171 K CB 0.115 32.197 32.500 -0.697 0.000 0.718 171 K HN 0.495 nan 8.250 nan 0.000 0.442 172 H N -1.106 117.920 119.070 -0.074 0.000 2.750 172 H HA 0.195 4.751 4.556 -0.000 0.000 0.263 172 H C 1.265 176.497 175.328 -0.159 0.000 0.964 172 H CA 0.464 56.446 56.048 -0.109 0.000 1.205 172 H CB 0.490 30.193 29.762 -0.098 0.000 1.454 172 H HN 0.191 nan 8.280 nan 0.000 0.503 173 G N -0.473 108.303 108.800 -0.040 0.000 2.773 173 G HA2 0.347 4.306 3.960 -0.000 0.000 0.186 173 G HA3 0.347 4.306 3.960 -0.000 0.000 0.186 173 G C -1.210 173.488 174.900 -0.338 0.000 1.411 173 G CA -0.398 44.676 45.100 -0.042 0.000 1.054 173 G HN 0.124 nan 8.290 nan 0.000 0.579 174 Y N -0.301 119.995 120.300 -0.006 0.000 2.326 174 Y HA 0.465 5.015 4.550 -0.001 0.000 0.329 174 Y C 0.095 175.984 175.900 -0.019 0.000 0.973 174 Y CA -0.596 57.429 58.100 -0.126 0.000 1.162 174 Y CB 2.331 40.699 38.460 -0.153 0.000 1.147 174 Y HN 0.250 nan 8.280 nan 0.000 0.456 175 T N 5.511 120.064 114.554 -0.000 0.000 2.795 175 T HA 0.644 4.993 4.350 -0.000 0.000 0.282 175 T C -0.930 173.862 174.700 0.154 0.000 0.980 175 T CA -0.527 61.596 62.100 0.038 0.000 1.012 175 T CB 0.222 69.112 68.868 0.038 0.000 0.936 175 T HN 0.445 nan 8.240 nan 0.000 0.457 176 F N 0.018 120.034 119.950 0.110 0.000 2.631 176 F HA 0.890 5.416 4.527 -0.000 0.000 0.308 176 F C -1.017 174.868 175.800 0.143 0.000 1.097 176 F CA -1.692 56.414 58.000 0.177 0.000 0.952 176 F CB 1.122 40.244 39.000 0.203 0.000 1.307 176 F HN 0.662 nan 8.300 nan 0.000 0.450 177 A N 2.027 125.069 122.820 0.370 0.000 2.398 177 A HA 0.812 5.131 4.320 -0.000 0.000 0.301 177 A C -2.010 175.773 177.584 0.332 0.000 1.041 177 A CA -0.837 51.340 52.037 0.232 0.000 0.711 177 A CB 1.665 20.568 19.000 -0.163 0.000 1.240 177 A HN 0.925 nan 8.150 nan 0.000 0.420 178 V N 2.398 122.489 119.914 0.296 0.000 2.577 178 V HA 0.316 4.436 4.120 -0.000 0.000 0.303 178 V C -0.127 176.050 176.094 0.138 0.000 1.042 178 V CA -0.899 61.522 62.300 0.200 0.000 0.872 178 V CB 1.978 33.874 31.823 0.121 0.000 0.998 178 V HN 0.965 nan 8.190 nan 0.000 0.423 179 N N 3.891 122.664 118.700 0.123 0.000 2.483 179 N HA 0.363 5.103 4.740 -0.000 0.000 0.264 179 N C -0.901 174.617 175.510 0.013 0.000 1.197 179 N CA 0.349 53.447 53.050 0.079 0.000 0.927 179 N CB 0.390 38.923 38.487 0.077 0.000 1.065 179 N HN 0.629 nan 8.380 nan 0.000 0.461 180 L N 3.651 124.872 121.223 -0.002 0.000 2.303 180 L HA 0.581 4.921 4.340 -0.000 0.000 0.266 180 L C -1.981 174.909 176.870 0.033 0.000 1.011 180 L CA -2.371 52.431 54.840 -0.065 0.000 0.818 180 L CB 1.738 43.722 42.059 -0.124 0.000 1.326 180 L HN 0.477 nan 8.230 nan 0.000 0.435 181 P HA 0.027 nan 4.420 nan 0.000 0.260 181 P C -1.463 175.907 177.300 0.117 0.000 1.185 181 P CA 0.141 63.308 63.100 0.112 0.000 0.763 181 P CB 0.101 31.899 31.700 0.164 0.000 0.776 182 K N 1.471 121.925 120.400 0.090 0.000 2.352 182 K HA 0.602 4.922 4.320 -0.000 0.000 0.240 182 K C -0.687 175.956 176.600 0.071 0.000 1.017 182 K CA -1.095 55.243 56.287 0.084 0.000 0.851 182 K CB 1.317 33.860 32.500 0.072 0.000 1.261 182 K HN 0.097 nan 8.250 nan 0.000 0.451 183 D N 1.026 121.465 120.400 0.066 0.000 2.312 183 D HA 0.136 4.775 4.640 -0.000 0.000 0.248 183 D C -0.286 176.041 176.300 0.045 0.000 1.086 183 D CA -0.230 53.801 54.000 0.052 0.000 0.948 183 D CB 1.224 42.054 40.800 0.050 0.000 1.162 183 D HN 0.662 nan 8.370 nan 0.000 0.446 187 N N 0.261 118.984 118.700 0.037 0.000 2.317 187 N HA 0.241 4.980 4.740 -0.000 0.000 0.245 187 N C -0.308 175.229 175.510 0.046 0.000 1.294 187 N CA -0.067 53.005 53.050 0.037 0.000 0.924 187 N CB 0.502 39.009 38.487 0.033 0.000 1.186 187 N HN 0.580 nan 8.380 nan 0.000 0.495 188 S N -0.318 115.408 115.700 0.044 0.000 2.562 188 S HA 0.062 4.532 4.470 -0.000 0.000 0.281 188 S C -0.211 174.429 174.600 0.068 0.000 1.333 188 S CA -0.455 57.776 58.200 0.053 0.000 1.052 188 S CB 0.725 63.952 63.200 0.046 0.000 0.884 188 S HN 0.507 nan 8.310 nan 0.000 0.506 189 K N 1.779 122.226 120.400 0.078 0.000 2.307 189 K HA 0.429 4.748 4.320 -0.000 0.000 0.263 189 K C -1.170 175.488 176.600 0.096 0.000 0.973 189 K CA -0.371 55.973 56.287 0.094 0.000 0.846 189 K CB 1.139 33.703 32.500 0.108 0.000 1.100 189 K HN 0.783 nan 8.250 nan 0.000 0.438 190 T N 3.883 118.506 114.554 0.115 0.000 2.841 190 T HA 0.314 4.664 4.350 -0.000 0.000 0.283 190 T C -1.250 173.540 174.700 0.151 0.000 1.000 190 T CA -0.704 61.475 62.100 0.132 0.000 0.977 190 T CB 1.222 70.186 68.868 0.160 0.000 0.979 190 T HN 0.396 nan 8.240 nan 0.000 0.446 191 L N 4.007 125.331 121.223 0.167 0.000 2.272 191 L HA 0.751 5.091 4.340 -0.000 0.000 0.289 191 L C -0.972 176.090 176.870 0.320 0.000 1.032 191 L CA -0.597 54.394 54.840 0.251 0.000 0.810 191 L CB 0.373 42.556 42.059 0.206 0.000 1.205 191 L HN 0.709 nan 8.230 nan 0.000 0.422 192 I N 4.020 124.718 120.570 0.214 0.000 2.769 192 I HA 0.900 5.070 4.170 -0.000 0.000 0.298 192 I C -0.128 175.762 176.117 -0.378 0.000 1.128 192 I CA -0.004 61.247 61.300 -0.083 0.000 1.031 192 I CB 2.090 40.057 38.000 -0.054 0.000 1.235 192 I HN 0.720 nan 8.210 nan 0.000 0.423 193 G N 4.108 112.298 108.800 -1.017 0.000 2.317 193 G HA2 0.604 4.564 3.960 -0.000 0.000 0.293 193 G HA3 0.604 4.564 3.960 -0.000 0.000 0.293 193 G C -2.132 172.236 174.900 -0.887 0.000 1.287 193 G CA -0.025 44.566 45.100 -0.849 0.000 0.850 193 G HN 0.968 nan 8.290 nan 0.000 0.515 194 A N -0.188 122.467 122.820 -0.274 0.000 2.768 194 A HA 0.761 5.081 4.320 -0.000 0.000 0.299 194 A C -0.259 177.446 177.584 0.202 0.000 1.171 194 A CA 0.570 52.603 52.037 -0.006 0.000 0.759 194 A CB 0.903 19.897 19.000 -0.011 0.000 1.267 194 A HN 1.847 nan 8.150 nan 0.000 0.421 195 S N 3.213 119.146 115.700 0.389 0.000 2.508 195 S HA 0.632 5.101 4.470 -0.000 0.000 0.284 195 S C -1.473 173.325 174.600 0.330 0.000 1.192 195 S CA -1.472 56.939 58.200 0.351 0.000 1.070 195 S CB 1.043 64.457 63.200 0.356 0.000 1.004 195 S HN 0.485 nan 8.310 nan 0.000 0.493 196 P HA 0.091 nan 4.420 nan 0.000 0.245 196 P C -0.139 177.311 177.300 0.250 0.000 1.206 196 P CA 0.383 63.636 63.100 0.255 0.000 0.781 196 P CB 0.118 31.955 31.700 0.228 0.000 0.994 197 E N 0.521 120.821 120.200 0.167 0.000 2.129 197 E HA 0.330 4.679 4.350 -0.000 0.000 0.268 197 E C -1.063 175.502 176.600 -0.059 0.000 0.900 197 E CA -1.082 55.355 56.400 0.061 0.000 0.755 197 E CB 0.691 30.392 29.700 0.001 0.000 1.117 197 E HN -0.127 nan 8.360 nan 0.000 0.410 198 L N 5.720 126.910 121.223 -0.056 0.000 2.319 198 L HA 0.131 4.471 4.340 -0.000 0.000 0.280 198 L C 0.297 177.125 176.870 -0.070 0.000 1.099 198 L CA 0.078 54.814 54.840 -0.172 0.000 0.828 198 L CB 1.019 43.060 42.059 -0.031 0.000 1.150 198 L HN 0.752 nan 8.230 nan 0.000 0.442 199 L N 5.909 127.088 121.223 -0.072 0.000 2.049 199 L HA 0.298 4.638 4.340 -0.000 0.000 0.203 199 L C 0.241 177.097 176.870 -0.023 0.000 1.074 199 L CA 1.423 56.246 54.840 -0.028 0.000 0.749 199 L CB 0.276 42.330 42.059 -0.008 0.000 0.907 199 L HN 0.467 nan 8.230 nan 0.000 0.439 200 V N -0.995 118.913 119.914 -0.011 0.000 3.098 200 V HA 0.601 4.720 4.120 -0.000 0.000 0.294 200 V C -1.449 174.623 176.094 -0.036 0.000 1.351 200 V CA 0.053 62.340 62.300 -0.023 0.000 0.999 200 V CB 2.189 33.979 31.823 -0.055 0.000 1.104 200 V HN 0.499 nan 8.190 nan 0.000 0.438 201 S N 5.443 121.101 115.700 -0.070 0.000 2.570 201 S HA 0.848 5.318 4.470 -0.000 0.000 0.286 201 S C -0.936 173.529 174.600 -0.225 0.000 1.099 201 S CA -0.868 57.222 58.200 -0.184 0.000 0.913 201 S CB 2.203 65.340 63.200 -0.105 0.000 1.085 201 S HN 1.128 nan 8.310 nan 0.000 0.480 202 R N 1.408 121.662 120.500 -0.410 0.000 2.532 202 R HA 0.463 4.803 4.340 -0.000 0.000 0.297 202 R C -1.708 174.292 176.300 -0.500 0.000 0.984 202 R CA -0.485 55.424 56.100 -0.319 0.000 0.884 202 R CB 0.908 31.079 30.300 -0.216 0.000 1.182 202 R HN 0.898 nan 8.270 nan 0.000 0.442 203 H N 2.991 122.065 119.070 0.007 0.000 3.013 203 H HA 0.338 4.894 4.556 -0.000 0.000 0.326 203 H C 0.337 175.686 175.328 0.036 0.000 0.973 203 H CA 0.234 56.305 56.048 0.037 0.000 1.369 203 H CB 1.813 31.614 29.762 0.065 0.000 1.598 203 H HN 1.053 nan 8.280 nan 0.000 0.518 207 V N 5.222 125.156 119.914 0.033 0.000 2.513 207 V HA 0.665 4.785 4.120 -0.000 0.000 0.299 207 V C -0.234 175.880 176.094 0.034 0.000 1.035 207 V CA -0.404 61.898 62.300 0.004 0.000 0.889 207 V CB 1.718 33.533 31.823 -0.013 0.000 0.988 207 V HN 0.651 nan 8.190 nan 0.000 0.440 208 I N 3.092 123.677 120.570 0.026 0.000 2.619 208 I HA 0.556 4.726 4.170 -0.000 0.000 0.292 208 I C -0.429 175.706 176.117 0.030 0.000 1.100 208 I CA -0.264 61.068 61.300 0.053 0.000 1.043 208 I CB 2.337 40.391 38.000 0.090 0.000 1.239 208 I HN 0.631 nan 8.210 nan 0.000 0.420 209 S N 4.666 120.384 115.700 0.031 0.000 2.548 209 S HA 0.451 4.920 4.470 -0.000 0.000 0.286 209 S C -0.929 173.691 174.600 0.034 0.000 1.098 209 S CA -0.647 57.563 58.200 0.016 0.000 0.930 209 S CB 1.725 64.920 63.200 -0.009 0.000 1.070 209 S HN 0.765 nan 8.310 nan 0.000 0.480 210 N N 3.469 122.190 118.700 0.035 0.000 2.791 210 N HA 0.313 5.053 4.740 -0.000 0.000 0.265 210 N C -2.806 172.730 175.510 0.044 0.000 1.580 210 N CA -1.755 51.330 53.050 0.059 0.000 0.809 210 N CB 0.928 39.470 38.487 0.092 0.000 1.178 210 N HN 0.387 nan 8.380 nan 0.000 0.499 211 P HA 0.067 nan 4.420 nan 0.000 0.268 211 P C -0.659 176.678 177.300 0.061 0.000 1.204 211 P CA 0.186 63.280 63.100 -0.010 0.000 0.768 211 P CB 1.335 32.980 31.700 -0.091 0.000 0.842 212 L N 2.446 123.691 121.223 0.037 0.000 2.341 212 L HA 0.757 5.096 4.340 -0.000 0.000 0.278 212 L C -0.020 176.895 176.870 0.075 0.000 1.005 212 L CA -0.733 54.152 54.840 0.075 0.000 0.818 212 L CB 1.975 43.973 42.059 -0.101 0.000 1.259 212 L HN 0.432 nan 8.230 nan 0.000 0.418 213 A N 2.512 125.474 122.820 0.238 0.000 2.480 213 A HA 0.774 5.094 4.320 -0.000 0.000 0.289 213 A C -0.310 177.435 177.584 0.268 0.000 1.044 213 A CA 0.059 52.214 52.037 0.196 0.000 0.761 213 A CB 1.617 20.685 19.000 0.113 0.000 1.289 213 A HN 1.005 nan 8.150 nan 0.000 0.401 214 G N 0.703 109.620 108.800 0.196 0.000 3.069 214 G HA2 0.484 4.444 3.960 -0.000 0.000 0.686 214 G HA3 0.484 4.444 3.960 -0.000 0.000 0.686 214 G C -0.683 174.368 174.900 0.251 0.000 1.161 214 G CA -0.158 45.050 45.100 0.180 0.000 0.804 214 G HN 1.611 nan 8.290 nan 0.000 0.608 215 S N 1.724 117.549 115.700 0.208 0.000 2.536 215 S HA 0.907 5.377 4.470 -0.000 0.000 0.271 215 S C -0.472 174.206 174.600 0.130 0.000 1.134 215 S CA -1.023 57.300 58.200 0.206 0.000 0.897 215 S CB 2.070 65.401 63.200 0.219 0.000 1.094 215 S HN 0.805 nan 8.310 nan 0.000 0.473 216 R N 1.637 122.215 120.500 0.129 0.000 2.698 216 R HA 0.544 4.884 4.340 -0.000 0.000 0.275 216 R C -3.162 173.226 176.300 0.146 0.000 1.001 216 R CA -2.209 53.976 56.100 0.141 0.000 0.896 216 R CB 1.331 31.729 30.300 0.163 0.000 1.218 216 R HN 0.376 nan 8.270 nan 0.000 0.462 217 P HA 0.210 nan 4.420 nan 0.000 0.275 217 P C -0.279 177.077 177.300 0.094 0.000 1.228 217 P CA -0.495 62.636 63.100 0.051 0.000 0.786 217 P CB 0.628 32.350 31.700 0.037 0.000 0.927 218 R N 0.871 121.338 120.500 -0.054 0.000 2.784 218 R HA 0.315 4.655 4.340 -0.000 0.000 0.266 218 R C 0.623 176.932 176.300 0.015 0.000 1.044 218 R CA 0.146 56.186 56.100 -0.100 0.000 1.151 218 R CB -0.255 29.877 30.300 -0.281 0.000 1.037 218 R HN 0.506 nan 8.270 nan 0.000 0.478 219 S N -0.551 115.183 115.700 0.056 0.000 2.542 219 S HA 0.213 4.683 4.470 -0.000 0.000 0.293 219 S C 0.075 174.686 174.600 0.018 0.000 1.089 219 S CA -0.781 57.446 58.200 0.044 0.000 0.961 219 S CB 1.264 64.508 63.200 0.075 0.000 1.062 219 S HN 0.421 nan 8.310 nan 0.000 0.483 220 D N 1.340 121.742 120.400 0.004 0.000 2.317 220 D HA 0.003 4.643 4.640 -0.000 0.000 0.211 220 D C 0.089 176.395 176.300 0.010 0.000 0.966 220 D CA 0.689 54.687 54.000 -0.003 0.000 0.876 220 D CB 0.011 40.806 40.800 -0.009 0.000 0.927 220 D HN 0.613 nan 8.370 nan 0.000 0.519 221 D N 1.227 121.640 120.400 0.022 0.000 2.339 221 D HA 0.011 4.651 4.640 -0.000 0.000 0.256 221 D C -1.542 174.781 176.300 0.039 0.000 1.214 221 D CA -1.729 52.286 54.000 0.025 0.000 0.877 221 D CB 2.011 42.826 40.800 0.024 0.000 1.111 221 D HN -0.015 nan 8.370 nan 0.000 0.478 222 P HA -0.103 nan 4.420 nan 0.000 0.221 222 P C 1.577 178.908 177.300 0.051 0.000 1.150 222 P CA 0.267 63.395 63.100 0.048 0.000 0.800 222 P CB 0.558 32.279 31.700 0.034 0.000 0.787 223 V N 0.923 120.858 119.914 0.035 0.000 2.323 223 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 223 V C 2.808 178.918 176.094 0.027 0.000 1.041 223 V CA 2.191 64.506 62.300 0.025 0.000 1.025 223 V CB -1.250 30.582 31.823 0.016 0.000 0.656 223 V HN 0.140 nan 8.190 nan 0.000 0.451 224 E N 0.739 120.961 120.200 0.036 0.000 2.106 224 E HA -0.240 4.109 4.350 -0.000 0.000 0.192 224 E C 1.794 178.436 176.600 0.071 0.000 0.984 224 E CA 1.684 58.107 56.400 0.040 0.000 0.806 224 E CB -0.437 29.288 29.700 0.041 0.000 0.750 224 E HN 0.608 nan 8.360 nan 0.000 0.458 225 D N -0.428 120.044 120.400 0.120 0.000 2.092 225 D HA -0.201 4.439 4.640 -0.000 0.000 0.193 225 D C 1.934 178.358 176.300 0.207 0.000 0.994 225 D CA 2.179 56.337 54.000 0.263 0.000 0.828 225 D CB -0.180 40.770 40.800 0.249 0.000 0.963 225 D HN 0.085 nan 8.370 nan 0.000 0.450 226 K N 0.299 120.750 120.400 0.085 0.000 2.097 226 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 226 K C 2.314 178.824 176.600 -0.151 0.000 1.050 226 K CA 1.345 57.593 56.287 -0.064 0.000 0.938 226 K CB -0.480 32.009 32.500 -0.018 0.000 0.718 226 K HN 0.296 nan 8.250 nan 0.000 0.442 227 R N -0.001 120.453 120.500 -0.078 0.000 2.127 227 R HA -0.064 4.275 4.340 -0.000 0.000 0.238 227 R C 2.512 178.729 176.300 -0.139 0.000 1.134 227 R CA 1.959 58.007 56.100 -0.087 0.000 0.975 227 R CB -0.195 30.081 30.300 -0.039 0.000 0.865 227 R HN 0.342 nan 8.270 nan 0.000 0.447 228 R N -0.542 119.864 120.500 -0.157 0.000 2.119 228 R HA 0.049 4.389 4.340 -0.000 0.000 0.222 228 R C 2.293 178.336 176.300 -0.429 0.000 1.088 228 R CA 0.882 56.875 56.100 -0.179 0.000 0.984 228 R CB -0.115 30.170 30.300 -0.025 0.000 0.884 228 R HN 0.209 nan 8.270 nan 0.000 0.447 229 A N 1.493 123.808 122.820 -0.842 0.000 1.902 229 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 229 A C 1.852 179.140 177.584 -0.492 0.000 1.181 229 A CA 1.429 52.828 52.037 -1.064 0.000 0.623 229 A CB -0.284 17.729 19.000 -1.646 0.000 0.818 229 A HN 0.283 nan 8.150 nan 0.000 0.443 230 E N -0.739 119.254 120.200 -0.345 0.000 2.106 230 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 230 E C 2.082 178.594 176.600 -0.147 0.000 0.984 230 E CA 1.138 57.418 56.400 -0.200 0.000 0.806 230 E CB -0.110 29.504 29.700 -0.142 0.000 0.750 230 E HN 0.830 nan 8.360 nan 0.000 0.458 231 E N 0.775 120.891 120.200 -0.141 0.000 2.106 231 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 231 E C 2.132 178.686 176.600 -0.078 0.000 0.984 231 E CA 0.635 56.983 56.400 -0.087 0.000 0.806 231 E CB 0.030 29.689 29.700 -0.067 0.000 0.750 231 E HN 0.139 nan 8.360 nan 0.000 0.458 232 L N 0.930 122.088 121.223 -0.108 0.000 2.017 232 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 232 L C 2.282 179.112 176.870 -0.065 0.000 1.073 232 L CA 1.365 56.165 54.840 -0.067 0.000 0.745 232 L CB -0.614 41.405 42.059 -0.066 0.000 0.894 232 L HN 0.278 nan 8.230 nan 0.000 0.432 233 L N -0.632 120.530 121.223 -0.101 0.000 2.456 233 L HA -0.057 4.283 4.340 -0.000 0.000 0.224 233 L C 1.947 178.782 176.870 -0.058 0.000 1.148 233 L CA 1.607 56.395 54.840 -0.087 0.000 0.825 233 L CB -0.538 41.457 42.059 -0.107 0.000 0.937 233 L HN 0.611 nan 8.230 nan 0.000 0.450 234 S N -3.623 112.046 115.700 -0.051 0.000 2.701 234 S HA 0.191 4.660 4.470 -0.000 0.000 0.242 234 S C 0.744 175.336 174.600 -0.014 0.000 1.025 234 S CA -0.026 58.156 58.200 -0.030 0.000 1.016 234 S CB -0.288 62.891 63.200 -0.035 0.000 0.977 234 S HN 0.273 nan 8.310 nan 0.000 0.546 235 S N 2.939 118.634 115.700 -0.009 0.000 2.455 235 S HA 0.368 4.838 4.470 -0.000 0.000 0.278 235 S C -1.634 172.983 174.600 0.027 0.000 1.216 235 S CA -1.226 56.979 58.200 0.008 0.000 1.055 235 S CB 0.814 64.022 63.200 0.013 0.000 0.939 235 S HN 0.093 nan 8.310 nan 0.000 0.494 236 P HA -0.108 nan 4.420 nan 0.000 0.215 236 P C 1.385 178.732 177.300 0.079 0.000 1.153 236 P CA 0.959 64.084 63.100 0.041 0.000 0.853 236 P CB 0.122 31.833 31.700 0.018 0.000 0.788 237 K N -0.133 120.309 120.400 0.070 0.000 2.032 237 K HA -0.196 4.124 4.320 -0.000 0.000 0.209 237 K C 1.588 178.256 176.600 0.112 0.000 1.048 237 K CA 1.860 58.206 56.287 0.098 0.000 0.927 237 K CB -0.498 32.043 32.500 0.069 0.000 0.712 237 K HN 0.024 nan 8.250 nan 0.000 0.441 238 D N 0.653 121.105 120.400 0.086 0.000 2.149 238 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 238 D C 2.092 178.456 176.300 0.107 0.000 0.972 238 D CA 0.865 54.918 54.000 0.088 0.000 0.835 238 D CB -0.012 40.827 40.800 0.066 0.000 0.966 238 D HN 0.243 nan 8.370 nan 0.000 0.476 239 L N 0.314 121.594 121.223 0.095 0.000 2.046 239 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 239 L C 2.512 179.478 176.870 0.161 0.000 1.077 239 L CA 1.095 55.999 54.840 0.107 0.000 0.747 239 L CB -0.379 41.725 42.059 0.075 0.000 0.896 239 L HN 0.119 nan 8.230 nan 0.000 0.432 240 H N -0.112 118.994 119.070 0.060 0.000 2.333 240 H HA -0.181 4.375 4.556 -0.000 0.000 0.302 240 H C 2.104 177.463 175.328 0.052 0.000 1.075 240 H CA 1.780 57.857 56.048 0.047 0.000 1.348 240 H CB 0.124 29.904 29.762 0.029 0.000 1.393 240 H HN 0.139 nan 8.280 nan 0.000 0.509 241 E N -0.334 119.823 120.200 -0.073 0.000 2.118 241 E HA -0.215 4.134 4.350 -0.000 0.000 0.195 241 E C 2.142 178.700 176.600 -0.070 0.000 0.992 241 E CA 1.641 57.962 56.400 -0.130 0.000 0.804 241 E CB -0.515 29.182 29.700 -0.005 0.000 0.741 241 E HN 0.731 nan 8.360 nan 0.000 0.458 242 H N -0.593 118.443 119.070 -0.056 0.000 2.326 242 H HA 0.065 4.620 4.556 -0.000 0.000 0.301 242 H C 1.786 177.080 175.328 -0.057 0.000 1.081 242 H CA 2.077 58.105 56.048 -0.034 0.000 1.334 242 H CB -0.347 29.415 29.762 0.000 0.000 1.385 242 H HN 0.208 nan 8.280 nan 0.000 0.504 243 A N -0.058 122.762 122.820 -0.000 0.000 1.978 243 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 243 A C 2.596 180.099 177.584 -0.135 0.000 1.170 243 A CA 1.815 53.825 52.037 -0.043 0.000 0.636 243 A CB -0.886 18.131 19.000 0.027 0.000 0.810 243 A HN 0.354 nan 8.150 nan 0.000 0.448 244 V N -0.708 119.084 119.914 -0.203 0.000 2.407 244 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 244 V C 2.545 178.539 176.094 -0.166 0.000 1.041 244 V CA 1.682 63.865 62.300 -0.194 0.000 1.040 244 V CB -0.544 31.120 31.823 -0.265 0.000 0.671 244 V HN 0.369 nan 8.190 nan 0.000 0.455 245 V N -0.063 119.732 119.914 -0.198 0.000 2.332 245 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 245 V C 2.442 178.416 176.094 -0.200 0.000 1.055 245 V CA 1.954 64.138 62.300 -0.193 0.000 1.038 245 V CB -0.498 31.192 31.823 -0.222 0.000 0.651 245 V HN 0.411 nan 8.190 nan 0.000 0.450 246 V N -0.276 119.483 119.914 -0.259 0.000 2.343 246 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 246 V C 2.407 178.431 176.094 -0.116 0.000 1.051 246 V CA 2.150 64.335 62.300 -0.192 0.000 1.036 246 V CB -0.670 31.041 31.823 -0.186 0.000 0.654 246 V HN 0.588 nan 8.190 nan 0.000 0.451 247 E N 0.115 120.253 120.200 -0.103 0.000 2.085 247 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 247 E C 2.289 178.851 176.600 -0.064 0.000 0.994 247 E CA 1.445 57.803 56.400 -0.070 0.000 0.801 247 E CB -0.342 29.322 29.700 -0.060 0.000 0.743 247 E HN 0.616 nan 8.360 nan 0.000 0.453 248 A N 0.410 123.184 122.820 -0.075 0.000 1.930 248 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 248 A C 2.413 179.964 177.584 -0.056 0.000 1.175 248 A CA 0.969 52.968 52.037 -0.064 0.000 0.627 248 A CB -0.385 18.572 19.000 -0.071 0.000 0.815 248 A HN 0.126 nan 8.150 nan 0.000 0.443 249 V N -0.200 119.675 119.914 -0.065 0.000 2.358 249 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 249 V C 3.041 179.116 176.094 -0.032 0.000 1.047 249 V CA 1.816 64.086 62.300 -0.051 0.000 1.035 249 V CB -1.122 30.664 31.823 -0.061 0.000 0.658 249 V HN 0.594 nan 8.190 nan 0.000 0.452 250 A N 0.023 122.820 122.820 -0.038 0.000 1.933 250 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 250 A C 2.392 179.970 177.584 -0.010 0.000 1.175 250 A CA 1.998 54.021 52.037 -0.023 0.000 0.628 250 A CB -0.702 18.277 19.000 -0.035 0.000 0.814 250 A HN 0.561 nan 8.150 nan 0.000 0.444 251 A N -0.346 122.462 122.820 -0.019 0.000 1.969 251 A HA 0.237 4.557 4.320 -0.000 0.000 0.218 251 A C 2.414 179.998 177.584 0.000 0.000 1.169 251 A CA 1.809 53.837 52.037 -0.015 0.000 0.635 251 A CB -0.768 18.217 19.000 -0.025 0.000 0.810 251 A HN 0.979 nan 8.150 nan 0.000 0.445 252 A N -0.539 122.285 122.820 0.008 0.000 1.968 252 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 252 A C 2.034 179.693 177.584 0.124 0.000 1.169 252 A CA 1.179 53.243 52.037 0.045 0.000 0.638 252 A CB -0.393 18.618 19.000 0.018 0.000 0.812 252 A HN 0.444 nan 8.150 nan 0.000 0.446 253 L N -1.454 119.822 121.223 0.088 0.000 2.341 253 L HA 0.032 4.371 4.340 -0.000 0.000 0.214 253 L C 2.567 179.528 176.870 0.153 0.000 1.115 253 L CA 0.631 55.557 54.840 0.143 0.000 0.820 253 L CB -0.326 41.767 42.059 0.056 0.000 0.944 253 L HN 0.404 nan 8.230 nan 0.000 0.452 254 R N 0.803 121.342 120.500 0.066 0.000 2.103 254 R HA -0.171 4.168 4.340 -0.000 0.000 0.242 254 R C -0.472 175.818 176.300 -0.017 0.000 1.142 254 R CA 1.729 57.844 56.100 0.024 0.000 0.960 254 R CB -0.948 29.352 30.300 0.001 0.000 0.858 254 R HN 0.229 nan 8.270 nan 0.000 0.439 255 P HA -0.123 nan 4.420 nan 0.000 0.220 255 P C 0.199 177.329 177.300 -0.283 0.000 1.148 255 P CA 1.288 64.250 63.100 -0.230 0.000 0.803 255 P CB -0.023 31.440 31.700 -0.395 0.000 0.782 256 Y N -2.135 118.124 120.300 -0.068 0.000 2.511 256 Y HA 0.076 4.626 4.550 -0.000 0.000 0.279 256 Y C 1.196 177.028 175.900 -0.112 0.000 1.157 256 Y CA -0.255 57.794 58.100 -0.085 0.000 1.300 256 Y CB -0.410 38.005 38.460 -0.074 0.000 1.052 256 Y HN -0.066 nan 8.280 nan 0.000 0.529 257 C N -0.850 118.463 119.300 0.021 0.000 2.667 257 C HA 0.284 4.744 4.460 -0.000 0.000 0.323 257 C C 1.638 176.583 174.990 -0.075 0.000 1.214 257 C CA -0.867 58.135 59.018 -0.026 0.000 1.721 257 C CB 1.223 28.992 27.740 0.048 0.000 2.275 257 C HN 0.413 nan 8.230 nan 0.000 0.491 258 H N 0.155 119.248 119.070 0.040 0.000 2.299 258 H HA 0.014 4.570 4.556 -0.000 0.000 0.302 258 H C 0.904 176.251 175.328 0.031 0.000 1.078 258 H CA 1.710 57.775 56.048 0.029 0.000 1.323 258 H CB 0.276 30.055 29.762 0.028 0.000 1.381 258 H HN 0.623 nan 8.280 nan 0.000 0.498 259 T N 0.033 114.693 114.554 0.177 0.000 2.942 259 T HA 0.458 4.808 4.350 -0.000 0.000 0.327 259 T C -1.541 173.229 174.700 0.116 0.000 1.360 259 T CA -0.657 61.517 62.100 0.123 0.000 1.055 259 T CB 1.148 70.085 68.868 0.115 0.000 1.261 259 T HN -0.003 nan 8.240 nan 0.000 0.485 260 L N 3.687 124.972 121.223 0.103 0.000 2.341 260 L HA 0.538 4.878 4.340 -0.000 0.000 0.278 260 L C -1.288 175.668 176.870 0.143 0.000 1.005 260 L CA -1.054 53.847 54.840 0.102 0.000 0.818 260 L CB 1.741 43.832 42.059 0.054 0.000 1.259 260 L HN 0.757 nan 8.230 nan 0.000 0.418 261 Y N 4.228 124.551 120.300 0.037 0.000 2.404 261 Y HA 0.446 4.996 4.550 -0.000 0.000 0.344 261 Y C -0.733 175.187 175.900 0.034 0.000 0.970 261 Y CA -0.670 57.451 58.100 0.034 0.000 1.180 261 Y CB 1.153 39.634 38.460 0.036 0.000 1.138 261 Y HN 0.181 nan 8.280 nan 0.000 0.510 262 V N 9.346 128.926 119.914 -0.558 0.000 2.304 262 V HA 0.324 4.443 4.120 -0.000 0.000 0.278 262 V C -2.118 173.611 176.094 -0.609 0.000 1.018 262 V CA -1.992 60.026 62.300 -0.470 0.000 0.814 262 V CB 0.701 32.402 31.823 -0.203 0.000 1.021 262 V HN 0.755 nan 8.190 nan 0.000 0.440 263 P HA -0.016 nan 4.420 nan 0.000 0.263 263 P C 0.972 178.192 177.300 -0.132 0.000 1.175 263 P CA 0.302 63.204 63.100 -0.330 0.000 0.761 263 P CB 0.830 32.464 31.700 -0.111 0.000 0.794 264 E N 2.887 123.053 120.200 -0.056 0.000 2.150 264 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 264 E C -0.182 176.425 176.600 0.012 0.000 0.985 264 E CA 0.990 57.382 56.400 -0.012 0.000 0.814 264 E CB 0.204 29.912 29.700 0.014 0.000 0.752 264 E HN 0.414 nan 8.360 nan 0.000 0.466 265 K N 1.978 122.389 120.400 0.018 0.000 2.270 265 K HA 0.355 4.675 4.320 -0.000 0.000 0.255 265 K C -2.439 174.172 176.600 0.019 0.000 0.936 265 K CA -2.149 54.151 56.287 0.020 0.000 0.809 265 K CB 1.841 34.352 32.500 0.017 0.000 1.131 265 K HN 0.050 nan 8.250 nan 0.000 0.427 266 P HA 0.138 nan 4.420 nan 0.000 0.274 266 P C -0.677 176.593 177.300 -0.050 0.000 1.246 266 P CA -0.439 62.629 63.100 -0.053 0.000 0.795 266 P CB 1.001 32.531 31.700 -0.284 0.000 1.006 267 S N -0.568 115.110 115.700 -0.035 0.000 2.704 267 S HA 0.481 4.951 4.470 -0.000 0.000 0.305 267 S C -0.289 174.307 174.600 -0.006 0.000 1.107 267 S CA -0.731 57.463 58.200 -0.010 0.000 0.993 267 S CB 1.288 64.503 63.200 0.024 0.000 1.110 267 S HN 0.227 nan 8.310 nan 0.000 0.534 268 V N 2.770 122.702 119.914 0.030 0.000 2.427 268 V HA 0.541 4.661 4.120 -0.000 0.000 0.286 268 V C 0.051 176.256 176.094 0.184 0.000 1.034 268 V CA -0.533 61.831 62.300 0.107 0.000 0.893 268 V CB 0.400 32.252 31.823 0.049 0.000 0.982 268 V HN 0.784 nan 8.190 nan 0.000 0.452 269 I N 2.067 122.772 120.570 0.225 0.000 3.170 269 I HA 0.938 5.108 4.170 -0.000 0.000 0.312 269 I C -0.682 175.554 176.117 0.199 0.000 1.085 269 I CA -0.898 60.467 61.300 0.109 0.000 0.999 269 I CB 2.578 40.595 38.000 0.029 0.000 1.233 269 I HN 0.833 nan 8.210 nan 0.000 0.467 270 H N 0.128 119.228 119.070 0.049 0.000 2.961 270 H HA 0.790 5.345 4.556 -0.000 0.000 0.371 270 H C -0.942 174.353 175.328 -0.056 0.000 1.190 270 H CA -0.670 55.282 56.048 -0.159 0.000 1.138 270 H CB 1.226 30.605 29.762 -0.638 0.000 1.816 270 H HN 0.782 nan 8.280 nan 0.000 0.551 271 S N 0.521 116.272 115.700 0.086 0.000 2.768 271 S HA 0.248 4.718 4.470 -0.000 0.000 0.300 271 S C 0.755 175.359 174.600 0.006 0.000 1.122 271 S CA -0.743 57.525 58.200 0.114 0.000 0.995 271 S CB 1.412 64.671 63.200 0.098 0.000 1.195 271 S HN 0.827 nan 8.310 nan 0.000 0.547 272 E N 0.189 120.392 120.200 0.005 0.000 2.160 272 E HA -0.042 4.308 4.350 -0.000 0.000 0.195 272 E C 1.021 177.546 176.600 -0.126 0.000 0.991 272 E CA 1.151 57.508 56.400 -0.071 0.000 0.810 272 E CB -0.175 29.515 29.700 -0.017 0.000 0.742 272 E HN 0.670 nan 8.360 nan 0.000 0.466 276 H N 2.219 121.485 119.070 0.327 0.000 2.806 276 H HA 0.517 5.073 4.556 -0.000 0.000 0.367 276 H C -0.580 174.823 175.328 0.125 0.000 1.136 276 H CA -0.885 55.277 56.048 0.191 0.000 1.178 276 H CB 2.109 31.962 29.762 0.152 0.000 1.718 276 H HN 0.197 nan 8.280 nan 0.000 0.540 277 L N 1.445 122.776 121.223 0.179 0.000 2.397 277 L HA 0.310 4.650 4.340 -0.000 0.000 0.271 277 L C 0.604 177.456 176.870 -0.030 0.000 1.148 277 L CA 0.069 54.869 54.840 -0.066 0.000 0.825 277 L CB 0.991 42.852 42.059 -0.329 0.000 1.117 277 L HN 0.416 nan 8.230 nan 0.000 0.456 278 S N 1.253 116.909 115.700 -0.073 0.000 2.546 278 S HA 0.632 5.102 4.470 -0.000 0.000 0.272 278 S C -0.901 173.783 174.600 0.141 0.000 1.140 278 S CA -0.483 57.794 58.200 0.127 0.000 0.920 278 S CB 1.851 65.115 63.200 0.108 0.000 1.083 278 S HN 0.569 nan 8.310 nan 0.000 0.476 279 T N 3.622 118.325 114.554 0.248 0.000 2.881 279 T HA 0.420 4.770 4.350 -0.000 0.000 0.290 279 T C -1.340 173.424 174.700 0.106 0.000 1.000 279 T CA -0.690 61.517 62.100 0.178 0.000 0.978 279 T CB 1.506 70.510 68.868 0.228 0.000 0.997 279 T HN 0.646 nan 8.240 nan 0.000 0.443 280 E N 2.134 122.385 120.200 0.086 0.000 2.081 280 E HA 0.393 4.743 4.350 -0.000 0.000 0.281 280 E C -0.677 175.959 176.600 0.060 0.000 0.986 280 E CA -0.509 55.941 56.400 0.084 0.000 0.796 280 E CB 1.479 31.246 29.700 0.111 0.000 1.085 280 E HN 0.249 nan 8.360 nan 0.000 0.398 281 V N 4.693 124.630 119.914 0.038 0.000 2.406 281 V HA 0.202 4.321 4.120 -0.000 0.000 0.272 281 V C 0.047 176.180 176.094 0.065 0.000 1.043 281 V CA -0.313 61.997 62.300 0.016 0.000 0.915 281 V CB 0.828 32.645 31.823 -0.009 0.000 0.988 281 V HN 0.539 nan 8.190 nan 0.000 0.466 282 K N 3.336 123.804 120.400 0.114 0.000 2.316 282 K HA 0.833 5.152 4.320 -0.000 0.000 0.251 282 K C -0.078 176.602 176.600 0.133 0.000 0.934 282 K CA -0.631 55.739 56.287 0.139 0.000 0.802 282 K CB 2.621 35.234 32.500 0.189 0.000 1.171 282 K HN 0.838 nan 8.250 nan 0.000 0.426 283 G N 0.786 109.646 108.800 0.102 0.000 2.692 283 G HA2 0.294 4.253 3.960 -0.000 0.000 0.291 283 G HA3 0.294 4.253 3.960 -0.000 0.000 0.291 283 G C -1.701 173.253 174.900 0.091 0.000 1.423 283 G CA -0.451 44.709 45.100 0.099 0.000 0.843 283 G HN 0.509 nan 8.290 nan 0.000 0.486 284 E N 0.529 120.796 120.200 0.112 0.000 2.151 284 E HA 0.425 4.775 4.350 -0.000 0.000 0.275 284 E C 0.031 176.693 176.600 0.104 0.000 0.936 284 E CA -0.528 55.949 56.400 0.127 0.000 0.777 284 E CB 1.257 31.062 29.700 0.175 0.000 1.108 284 E HN 0.354 nan 8.360 nan 0.000 0.401 285 L N 4.176 125.432 121.223 0.055 0.000 2.483 285 L HA 0.011 4.351 4.340 -0.000 0.000 0.275 285 L C 1.570 178.356 176.870 -0.141 0.000 1.220 285 L CA 0.366 55.196 54.840 -0.016 0.000 0.833 285 L CB 0.455 42.516 42.059 0.002 0.000 1.102 285 L HN 0.632 nan 8.230 nan 0.000 0.490 286 K N 0.958 121.170 120.400 -0.313 0.000 2.044 286 K HA -0.039 4.280 4.320 -0.000 0.000 0.204 286 K C 0.600 177.137 176.600 -0.105 0.000 1.049 286 K CA 0.759 56.784 56.287 -0.437 0.000 0.945 286 K CB 0.003 32.284 32.500 -0.365 0.000 0.724 286 K HN 0.413 nan 8.250 nan 0.000 0.440 287 N N 0.988 119.657 118.700 -0.051 0.000 2.469 287 N HA 0.107 4.847 4.740 -0.000 0.000 0.253 287 N C -2.177 173.338 175.510 0.008 0.000 0.970 287 N CA -2.265 50.782 53.050 -0.005 0.000 0.940 287 N CB 1.440 39.930 38.487 0.004 0.000 1.128 287 N HN -0.156 nan 8.380 nan 0.000 0.503 288 P HA -0.066 nan 4.420 nan 0.000 0.226 288 P C 0.045 177.348 177.300 0.004 0.000 1.146 288 P CA 0.914 64.023 63.100 0.015 0.000 0.773 288 P CB 0.469 32.183 31.700 0.023 0.000 0.772 289 N N -0.929 117.771 118.700 0.001 0.000 2.336 289 N HA 0.004 4.744 4.740 -0.000 0.000 0.189 289 N C 0.124 175.622 175.510 -0.019 0.000 1.113 289 N CA 0.432 53.477 53.050 -0.008 0.000 0.858 289 N CB -0.442 38.042 38.487 -0.006 0.000 0.970 289 N HN 0.082 nan 8.380 nan 0.000 0.471 290 T N 1.588 116.134 114.554 -0.015 0.000 2.750 290 T HA 0.098 4.447 4.350 -0.000 0.000 0.286 290 T C 0.813 175.458 174.700 -0.090 0.000 0.911 290 T CA -0.233 61.844 62.100 -0.037 0.000 1.130 290 T CB 0.128 68.991 68.868 -0.008 0.000 0.873 290 T HN 0.182 nan 8.240 nan 0.000 0.536 291 S N 2.702 118.336 115.700 -0.109 0.000 2.603 291 S HA 0.165 4.635 4.470 -0.000 0.000 0.268 291 S C 1.864 176.365 174.600 -0.164 0.000 1.317 291 S CA -0.285 57.843 58.200 -0.120 0.000 1.012 291 S CB 1.036 64.168 63.200 -0.113 0.000 0.926 291 S HN 0.692 nan 8.310 nan 0.000 0.539 292 S N 1.970 117.588 115.700 -0.137 0.000 2.387 292 S HA -0.186 4.284 4.470 -0.000 0.000 0.230 292 S C 1.690 176.180 174.600 -0.185 0.000 1.035 292 S CA 1.211 59.342 58.200 -0.115 0.000 1.014 292 S CB -0.898 62.261 63.200 -0.070 0.000 0.836 292 S HN 0.722 nan 8.310 nan 0.000 0.466 293 L N 2.072 123.163 121.223 -0.221 0.000 2.046 293 L HA 0.061 4.400 4.340 -0.000 0.000 0.208 293 L C 2.592 179.186 176.870 -0.460 0.000 1.077 293 L CA 2.196 56.706 54.840 -0.550 0.000 0.747 293 L CB -1.072 40.745 42.059 -0.404 0.000 0.896 293 L HN 0.515 nan 8.230 nan 0.000 0.432 294 E N -0.714 119.296 120.200 -0.318 0.000 2.077 294 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 294 E C 2.238 178.619 176.600 -0.366 0.000 0.989 294 E CA 1.432 57.666 56.400 -0.278 0.000 0.800 294 E CB -0.174 29.398 29.700 -0.214 0.000 0.746 294 E HN 0.573 nan 8.360 nan 0.000 0.452 295 L N 0.354 121.322 121.223 -0.425 0.000 2.093 295 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 295 L C 2.654 179.323 176.870 -0.336 0.000 1.085 295 L CA 1.048 55.605 54.840 -0.471 0.000 0.755 295 L CB -0.430 41.396 42.059 -0.388 0.000 0.904 295 L HN 0.202 nan 8.230 nan 0.000 0.435 296 A N 0.245 122.843 122.820 -0.370 0.000 1.902 296 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 296 A C 2.221 179.643 177.584 -0.270 0.000 1.181 296 A CA 1.613 53.435 52.037 -0.358 0.000 0.623 296 A CB -0.667 17.903 19.000 -0.716 0.000 0.818 296 A HN 0.360 nan 8.150 nan 0.000 0.443 297 I N -0.348 120.047 120.570 -0.292 0.000 2.394 297 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 297 I C 2.873 178.928 176.117 -0.104 0.000 1.136 297 I CA 0.859 62.060 61.300 -0.165 0.000 1.425 297 I CB -0.194 37.713 38.000 -0.155 0.000 1.079 297 I HN 0.346 nan 8.210 nan 0.000 0.425 298 A N 0.541 123.282 122.820 -0.132 0.000 1.972 298 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 298 A C 2.226 179.778 177.584 -0.053 0.000 1.169 298 A CA 1.445 53.446 52.037 -0.060 0.000 0.635 298 A CB -0.623 18.344 19.000 -0.056 0.000 0.810 298 A HN 0.416 nan 8.150 nan 0.000 0.446 299 L N -1.592 119.586 121.223 -0.075 0.000 2.375 299 L HA 0.064 4.404 4.340 -0.000 0.000 0.215 299 L C 1.079 177.932 176.870 -0.030 0.000 1.108 299 L CA 0.027 54.836 54.840 -0.052 0.000 0.830 299 L CB -0.187 41.837 42.059 -0.057 0.000 0.959 299 L HN 0.552 nan 8.230 nan 0.000 0.457 300 H N 2.115 121.104 119.070 -0.134 0.000 2.548 300 H HA 0.280 4.835 4.556 -0.000 0.000 0.331 300 H C -2.395 172.840 175.328 -0.155 0.000 1.093 300 H CA -2.452 53.514 56.048 -0.137 0.000 1.367 300 H CB 0.965 30.632 29.762 -0.159 0.000 1.455 300 H HN -0.170 nan 8.280 nan 0.000 0.519 301 P HA 0.172 nan 4.420 nan 0.000 0.286 301 P C -0.555 176.644 177.300 -0.167 0.000 1.261 301 P CA -0.661 62.168 63.100 -0.452 0.000 0.821 301 P CB 1.321 32.725 31.700 -0.493 0.000 1.013 302 T N -0.597 113.926 114.554 -0.052 0.000 2.828 302 T HA 0.248 4.597 4.350 -0.000 0.000 0.290 302 T C -1.814 172.857 174.700 -0.049 0.000 1.019 302 T CA -1.611 60.456 62.100 -0.055 0.000 1.031 302 T CB -0.192 68.650 68.868 -0.044 0.000 1.001 302 T HN 0.154 nan 8.240 nan 0.000 0.531 303 P HA 0.044 nan 4.420 nan 0.000 0.225 303 P C 1.465 178.744 177.300 -0.034 0.000 1.148 303 P CA 0.951 64.022 63.100 -0.047 0.000 0.779 303 P CB -0.298 31.364 31.700 -0.063 0.000 0.780 304 A N -0.334 122.463 122.820 -0.039 0.000 1.972 304 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 304 A C 2.018 179.590 177.584 -0.020 0.000 1.169 304 A CA 2.115 54.135 52.037 -0.029 0.000 0.635 304 A CB -1.380 17.598 19.000 -0.037 0.000 0.810 304 A HN 0.245 nan 8.150 nan 0.000 0.446 305 V N -5.502 114.401 119.914 -0.019 0.000 3.643 305 V HA 0.195 4.315 4.120 -0.000 0.000 0.280 305 V C 1.441 177.538 176.094 0.006 0.000 1.351 305 V CA 0.567 62.844 62.300 -0.039 0.000 1.073 305 V CB -0.735 31.050 31.823 -0.064 0.000 0.863 305 V HN 0.555 nan 8.190 nan 0.000 0.436 306 C N -0.256 119.075 119.300 0.052 0.000 3.242 306 C HA 0.882 5.342 4.460 -0.000 0.000 0.121 306 C C 1.204 176.221 174.990 0.045 0.000 2.619 306 C CA 0.869 59.957 59.018 0.117 0.000 0.936 306 C CB 0.850 28.668 27.740 0.131 0.000 1.552 306 C HN 1.008 nan 8.230 nan 0.000 0.649 307 G N -0.265 108.541 108.800 0.011 0.000 2.343 307 G HA2 0.401 4.361 3.960 -0.000 0.000 0.289 307 G HA3 0.401 4.361 3.960 -0.000 0.000 0.289 307 G C -1.456 173.428 174.900 -0.026 0.000 1.295 307 G CA 0.343 45.438 45.100 -0.008 0.000 0.869 307 G HN 0.591 nan 8.290 nan 0.000 0.522 308 T N 2.744 117.283 114.554 -0.026 0.000 2.881 308 T HA 0.724 5.074 4.350 -0.000 0.000 0.290 308 T C -2.556 172.129 174.700 -0.024 0.000 1.000 308 T CA -0.800 61.281 62.100 -0.032 0.000 0.978 308 T CB 2.581 71.427 68.868 -0.036 0.000 0.997 308 T HN 0.486 nan 8.240 nan 0.000 0.443 312 E N 1.328 121.505 120.200 -0.039 0.000 2.042 312 E HA 0.152 4.501 4.350 -0.000 0.000 0.189 312 E C 1.993 178.585 176.600 -0.013 0.000 0.974 312 E CA 1.401 57.786 56.400 -0.024 0.000 0.806 312 E CB -0.228 29.459 29.700 -0.022 0.000 0.769 312 E HN 0.254 nan 8.360 nan 0.000 0.451 313 A N 1.203 124.017 122.820 -0.010 0.000 1.917 313 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 313 A C 2.161 179.765 177.584 0.033 0.000 1.182 313 A CA 2.024 54.067 52.037 0.009 0.000 0.633 313 A CB -0.546 18.460 19.000 0.011 0.000 0.819 313 A HN 0.127 nan 8.150 nan 0.000 0.448 314 R N -0.632 119.882 120.500 0.023 0.000 2.096 314 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 314 R C 2.300 178.621 176.300 0.035 0.000 1.127 314 R CA 1.787 57.918 56.100 0.053 0.000 0.968 314 R CB -0.236 30.032 30.300 -0.054 0.000 0.861 314 R HN 0.528 nan 8.270 nan 0.000 0.440 315 E N -0.252 119.948 120.200 0.001 0.000 2.072 315 E HA -0.083 4.267 4.350 -0.000 0.000 0.190 315 E C 1.825 178.428 176.600 0.005 0.000 0.982 315 E CA 0.886 57.285 56.400 -0.003 0.000 0.803 315 E CB -0.226 29.465 29.700 -0.014 0.000 0.755 315 E HN 0.604 nan 8.360 nan 0.000 0.453 316 A N 0.545 123.368 122.820 0.006 0.000 1.892 316 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 316 A C 2.316 179.905 177.584 0.009 0.000 1.188 316 A CA 1.913 53.953 52.037 0.006 0.000 0.631 316 A CB -0.753 18.249 19.000 0.004 0.000 0.822 316 A HN 0.524 nan 8.150 nan 0.000 0.447 317 I N -0.361 120.223 120.570 0.023 0.000 2.127 317 I HA -0.312 3.857 4.170 -0.000 0.000 0.241 317 I C 2.760 178.873 176.117 -0.005 0.000 1.075 317 I CA 1.529 62.837 61.300 0.013 0.000 1.334 317 I CB -0.387 37.636 38.000 0.038 0.000 1.040 317 I HN 0.368 nan 8.210 nan 0.000 0.405 318 Q N 0.271 120.083 119.800 0.021 0.000 2.135 318 Q HA -0.233 4.107 4.340 -0.000 0.000 0.204 318 Q C 2.359 178.352 176.000 -0.011 0.000 0.981 318 Q CA 1.631 57.435 55.803 0.001 0.000 0.856 318 Q CB -0.546 28.201 28.738 0.015 0.000 0.902 318 Q HN 0.374 nan 8.270 nan 0.000 0.425 319 K N 0.664 121.063 120.400 -0.002 0.000 2.103 319 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 319 K C 2.076 178.680 176.600 0.006 0.000 1.052 319 K CA 0.456 56.744 56.287 0.002 0.000 0.945 319 K CB -0.308 32.193 32.500 0.002 0.000 0.722 319 K HN 0.318 nan 8.250 nan 0.000 0.443 320 I N 0.396 120.969 120.570 0.005 0.000 2.400 320 I HA 0.027 4.197 4.170 -0.000 0.000 0.248 320 I C 0.840 176.978 176.117 0.036 0.000 1.109 320 I CA 0.667 61.976 61.300 0.016 0.000 1.425 320 I CB 0.003 38.007 38.000 0.008 0.000 1.094 320 I HN 0.290 nan 8.210 nan 0.000 0.425 321 E N 3.068 123.271 120.200 0.006 0.000 2.290 321 E HA 0.064 4.413 4.350 -0.000 0.000 0.277 321 E C -1.816 174.790 176.600 0.010 0.000 1.035 321 E CA -1.469 54.933 56.400 0.003 0.000 0.873 321 E CB 0.640 30.199 29.700 -0.236 0.000 1.029 321 E HN 0.127 nan 8.360 nan 0.000 0.419 322 P HA 0.082 nan 4.420 nan 0.000 0.249 322 P C -1.016 176.464 177.300 0.299 0.000 1.583 322 P CA 0.120 63.337 63.100 0.195 0.000 0.988 322 P CB -0.377 31.447 31.700 0.207 0.000 1.530 323 F N -2.494 117.513 119.950 0.095 0.000 2.685 323 F HA 0.653 5.179 4.527 -0.000 0.000 0.315 323 F C -1.269 174.603 175.800 0.121 0.000 1.126 323 F CA -1.502 56.561 58.000 0.104 0.000 0.950 323 F CB 0.619 39.686 39.000 0.113 0.000 1.360 323 F HN -0.417 nan 8.300 nan 0.000 0.469 324 D N 1.259 121.715 120.400 0.093 0.000 2.232 324 D HA 0.345 4.984 4.640 -0.000 0.000 0.242 324 D C 0.708 177.107 176.300 0.166 0.000 1.093 324 D CA -0.407 53.605 54.000 0.020 0.000 0.845 324 D CB 1.990 42.843 40.800 0.088 0.000 1.124 324 D HN 0.573 nan 8.370 nan 0.000 0.467 325 R N 1.676 122.184 120.500 0.014 0.000 2.115 325 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 325 R C 0.586 176.969 176.300 0.137 0.000 1.111 325 R CA 0.662 56.870 56.100 0.180 0.000 0.976 325 R CB 0.051 30.333 30.300 -0.031 0.000 0.870 325 R HN 0.607 nan 8.270 nan 0.000 0.445 326 E N -2.026 118.210 120.200 0.060 0.000 3.221 326 E HA -0.326 4.024 4.350 -0.000 0.000 0.410 326 E C 0.915 177.366 176.600 -0.248 0.000 1.531 326 E CA 2.006 58.339 56.400 -0.112 0.000 1.285 326 E CB -1.269 28.467 29.700 0.059 0.000 1.542 326 E HN 0.219 nan 8.360 nan 0.000 0.482 327 F N 0.093 120.102 119.950 0.098 0.000 2.743 327 F HA 0.194 4.721 4.527 -0.001 0.000 0.297 327 F C 1.114 176.931 175.800 0.029 0.000 1.131 327 F CA 0.191 58.236 58.000 0.075 0.000 1.426 327 F CB 0.124 39.188 39.000 0.106 0.000 1.116 327 F HN 0.109 nan 8.300 nan 0.000 0.583 328 F N 2.385 122.226 119.950 -0.182 0.000 2.538 328 F HA 0.245 4.772 4.527 -0.000 0.000 0.371 328 F C 1.402 177.134 175.800 -0.114 0.000 1.087 328 F CA 0.010 57.821 58.000 -0.315 0.000 1.250 328 F CB 0.239 38.655 39.000 -0.974 0.000 1.110 328 F HN 0.230 nan 8.300 nan 0.000 0.570 329 T N 1.655 115.772 114.554 -0.729 0.000 5.221 329 T HA -0.196 4.153 4.350 -0.000 0.000 0.299 329 T C 0.453 175.193 174.700 0.067 0.000 1.489 329 T CA 0.609 62.434 62.100 -0.458 0.000 2.593 329 T CB -2.527 65.918 68.868 -0.706 0.000 1.859 329 T HN 1.388 nan 8.240 nan 0.000 0.982 333 G N -0.568 107.956 108.800 -0.460 0.000 2.491 333 G HA2 0.424 4.383 3.960 -0.000 0.000 0.183 333 G HA3 0.424 4.383 3.960 -0.000 0.000 0.183 333 G C -2.215 171.904 174.900 -1.301 0.000 1.221 333 G CA 0.005 44.380 45.100 -1.208 0.000 0.996 333 G HN 1.825 nan 8.290 nan 0.000 0.474 334 W N -0.461 119.770 121.300 -1.781 0.000 3.074 334 W HA 0.841 5.501 4.660 -0.000 0.000 0.332 334 W C -1.113 174.998 176.519 -0.680 0.000 1.253 334 W CA -0.643 56.130 57.345 -0.953 0.000 1.180 334 W CB 1.054 30.118 29.460 -0.660 0.000 1.445 334 W HN 1.329 nan 8.180 nan 0.000 0.573 335 S N 1.178 116.836 115.700 -0.070 0.000 2.537 335 S HA 0.435 4.905 4.470 -0.000 0.000 0.270 335 S C -1.332 173.368 174.600 0.166 0.000 1.142 335 S CA -0.410 57.746 58.200 -0.072 0.000 0.870 335 S CB 1.562 64.843 63.200 0.135 0.000 1.112 335 S HN 0.589 nan 8.310 nan 0.000 0.466 336 D N 1.911 122.403 120.400 0.153 0.000 2.506 336 D HA 0.348 4.988 4.640 -0.000 0.000 0.254 336 D C 1.189 177.539 176.300 0.083 0.000 1.089 336 D CA -0.847 53.261 54.000 0.179 0.000 1.050 336 D CB 0.017 40.982 40.800 0.276 0.000 1.221 336 D HN 0.343 nan 8.370 nan 0.000 0.589 337 L N 0.394 121.659 121.223 0.069 0.000 2.079 337 L HA -0.093 4.246 4.340 -0.000 0.000 0.210 337 L C 1.214 178.102 176.870 0.029 0.000 1.081 337 L CA 1.822 56.685 54.840 0.037 0.000 0.752 337 L CB -1.108 40.972 42.059 0.035 0.000 0.896 337 L HN 0.379 nan 8.230 nan 0.000 0.433 338 N N 0.056 118.783 118.700 0.045 0.000 2.550 338 N HA 0.024 4.763 4.740 -0.000 0.000 0.186 338 N C 1.474 176.992 175.510 0.013 0.000 1.110 338 N CA 1.021 54.091 53.050 0.034 0.000 0.912 338 N CB 0.092 38.610 38.487 0.052 0.000 0.968 338 N HN 0.555 nan 8.380 nan 0.000 0.448 339 G N 0.264 109.064 108.800 0.001 0.000 2.194 339 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.236 339 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.236 339 G C -0.348 174.501 174.900 -0.085 0.000 0.987 339 G CA -0.124 44.952 45.100 -0.040 0.000 0.635 339 G HN 0.261 nan 8.290 nan 0.000 0.520 340 D N 1.025 121.389 120.400 -0.059 0.000 2.382 340 D HA 0.551 5.191 4.640 -0.000 0.000 0.240 340 D C 0.866 176.886 176.300 -0.466 0.000 1.146 340 D CA 1.664 55.568 54.000 -0.160 0.000 0.897 340 D CB 1.299 42.139 40.800 0.068 0.000 1.197 340 D HN 1.058 nan 8.370 nan 0.000 0.432 341 G N 0.343 108.609 108.800 -0.890 0.000 2.349 341 G HA2 0.422 4.382 3.960 -0.000 0.000 0.294 341 G HA3 0.422 4.382 3.960 -0.000 0.000 0.294 341 G C -1.664 172.417 174.900 -1.366 0.000 1.380 341 G CA -0.769 43.288 45.100 -1.738 0.000 0.811 341 G HN 0.346 nan 8.290 nan 0.000 0.519 342 E N -0.760 118.419 120.200 -1.702 0.000 2.275 342 E HA 0.469 4.819 4.350 -0.000 0.000 0.270 342 E C -1.807 174.104 176.600 -1.148 0.000 0.882 342 E CA -0.465 55.403 56.400 -0.885 0.000 0.758 342 E CB 2.523 32.071 29.700 -0.254 0.000 1.195 342 E HN 0.445 nan 8.360 nan 0.000 0.419 343 W N 4.256 125.354 121.300 -0.337 0.000 2.683 343 W HA 0.490 5.150 4.660 -0.000 0.000 0.329 343 W C -0.254 176.121 176.519 -0.240 0.000 1.037 343 W CA -0.674 56.503 57.345 -0.280 0.000 1.232 343 W CB 0.996 30.290 29.460 -0.277 0.000 1.390 343 W HN 0.409 nan 8.180 nan 0.000 0.465 344 I N 0.086 120.622 120.570 -0.057 0.000 2.707 344 I HA 0.768 4.938 4.170 -0.000 0.000 0.309 344 I C -0.443 175.624 176.117 -0.084 0.000 1.001 344 I CA -1.356 59.845 61.300 -0.164 0.000 1.129 344 I CB 1.264 39.107 38.000 -0.261 0.000 1.308 344 I HN 0.015 nan 8.210 nan 0.000 0.466 345 V N 3.117 122.990 119.914 -0.069 0.000 2.508 345 V HA 0.120 4.240 4.120 -0.000 0.000 0.281 345 V C 0.506 176.584 176.094 -0.026 0.000 1.041 345 V CA -0.073 62.205 62.300 -0.037 0.000 1.016 345 V CB 0.818 32.628 31.823 -0.022 0.000 0.984 345 V HN 0.844 nan 8.190 nan 0.000 0.478 346 T N 7.847 122.380 114.554 -0.034 0.000 2.987 346 T HA 0.505 4.855 4.350 -0.000 0.000 0.288 346 T C 0.002 174.790 174.700 0.146 0.000 0.981 346 T CA 0.167 62.279 62.100 0.019 0.000 1.031 346 T CB -0.742 68.138 68.868 0.021 0.000 0.976 346 T HN 0.604 nan 8.240 nan 0.000 0.612 347 I N -1.306 119.423 120.570 0.265 0.000 3.343 347 I HA 0.689 4.859 4.170 -0.000 0.000 0.315 347 I C -0.513 175.838 176.117 0.390 0.000 1.153 347 I CA -1.861 59.657 61.300 0.363 0.000 0.952 347 I CB 1.417 39.549 38.000 0.220 0.000 1.287 347 I HN 0.034 nan 8.210 nan 0.000 0.472 348 R N 0.243 120.940 120.500 0.328 0.000 3.251 348 R HA -0.157 4.183 4.340 -0.000 0.000 0.249 348 R C -0.596 175.838 176.300 0.224 0.000 0.949 348 R CA 0.817 57.054 56.100 0.230 0.000 0.645 348 R CB -2.737 27.677 30.300 0.191 0.000 1.065 348 R HN 0.961 nan 8.270 nan 0.000 0.452 349 C N -3.526 115.952 119.300 0.298 0.000 3.318 349 C HA 0.996 5.456 4.460 -0.000 0.000 0.329 349 C C -0.290 174.889 174.990 0.316 0.000 1.449 349 C CA -0.494 58.704 59.018 0.300 0.000 1.397 349 C CB 2.578 30.640 27.740 0.537 0.000 1.810 349 C HN 0.788 nan 8.230 nan 0.000 0.449 350 A N 0.156 123.147 122.820 0.285 0.000 2.547 350 A HA 0.719 5.039 4.320 -0.000 0.000 0.297 350 A C -1.133 176.618 177.584 0.278 0.000 1.056 350 A CA -0.301 51.888 52.037 0.254 0.000 0.688 350 A CB 0.947 20.009 19.000 0.103 0.000 1.282 350 A HN 0.888 nan 8.150 nan 0.000 0.400 351 E N 0.781 121.165 120.200 0.306 0.000 2.259 351 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 351 E C -0.925 175.764 176.600 0.148 0.000 1.027 351 E CA -0.360 56.191 56.400 0.252 0.000 0.838 351 E CB 1.682 31.557 29.700 0.292 0.000 1.066 351 E HN 0.368 nan 8.360 nan 0.000 0.401 352 V N 3.450 123.442 119.914 0.130 0.000 2.487 352 V HA 0.290 4.410 4.120 -0.000 0.000 0.298 352 V C -0.393 175.756 176.094 0.092 0.000 1.028 352 V CA -0.708 61.649 62.300 0.095 0.000 0.860 352 V CB 1.579 33.453 31.823 0.085 0.000 0.991 352 V HN 0.652 nan 8.190 nan 0.000 0.427 353 Q N 3.197 123.043 119.800 0.076 0.000 2.350 353 Q HA 0.461 4.801 4.340 -0.000 0.000 0.255 353 Q C 0.057 176.088 176.000 0.052 0.000 0.951 353 Q CA -0.138 55.706 55.803 0.069 0.000 0.751 353 Q CB 1.450 30.232 28.738 0.073 0.000 1.296 353 Q HN 0.856 nan 8.270 nan 0.000 0.453 354 E N 2.079 122.307 120.200 0.047 0.000 3.171 354 E HA -0.330 4.019 4.350 -0.000 0.000 0.412 354 E C -0.151 176.466 176.600 0.030 0.000 1.516 354 E CA 2.705 59.125 56.400 0.034 0.000 1.196 354 E CB -1.073 28.644 29.700 0.027 0.000 1.522 354 E HN 0.915 nan 8.360 nan 0.000 0.487 355 N N 0.654 119.366 118.700 0.021 0.000 2.236 355 N HA 0.083 4.822 4.740 -0.000 0.000 0.196 355 N C -0.067 175.459 175.510 0.027 0.000 1.114 355 N CA 1.019 54.077 53.050 0.013 0.000 0.859 355 N CB 0.455 38.936 38.487 -0.010 0.000 0.982 355 N HN 0.503 nan 8.380 nan 0.000 0.493 356 T N -1.575 113.000 114.554 0.035 0.000 2.916 356 T HA 0.747 5.097 4.350 -0.000 0.000 0.292 356 T C -0.716 174.006 174.700 0.038 0.000 1.055 356 T CA -0.787 61.333 62.100 0.033 0.000 1.009 356 T CB 2.067 70.948 68.868 0.021 0.000 1.118 356 T HN -0.046 nan 8.240 nan 0.000 0.497 357 L N 0.828 122.062 121.223 0.019 0.000 2.409 357 L HA 0.695 5.035 4.340 -0.000 0.000 0.262 357 L C -0.244 176.592 176.870 -0.055 0.000 0.992 357 L CA -0.949 53.894 54.840 0.004 0.000 0.817 357 L CB 2.443 44.500 42.059 -0.003 0.000 1.350 357 L HN 0.823 nan 8.230 nan 0.000 0.411 358 R N 1.871 122.324 120.500 -0.077 0.000 2.393 358 R HA 0.750 5.090 4.340 -0.000 0.000 0.315 358 R C -1.646 174.447 176.300 -0.344 0.000 0.952 358 R CA -0.615 55.334 56.100 -0.253 0.000 0.842 358 R CB 0.977 31.097 30.300 -0.301 0.000 1.163 358 R HN 0.472 nan 8.270 nan 0.000 0.450 359 L N 4.485 125.496 121.223 -0.353 0.000 2.344 359 L HA 0.523 4.863 4.340 -0.000 0.000 0.272 359 L C -0.919 175.808 176.870 -0.237 0.000 1.035 359 L CA -0.370 54.376 54.840 -0.156 0.000 0.807 359 L CB 1.184 43.206 42.059 -0.062 0.000 1.237 359 L HN 0.563 nan 8.230 nan 0.000 0.442 360 Y N 0.263 120.561 120.300 -0.003 0.000 2.553 360 Y HA 0.835 5.385 4.550 -0.000 0.000 0.347 360 Y C -0.126 175.350 175.900 -0.706 0.000 1.019 360 Y CA -1.088 56.728 58.100 -0.473 0.000 1.032 360 Y CB 2.236 39.809 38.460 -1.478 0.000 1.284 360 Y HN 0.628 nan 8.280 nan 0.000 0.466 361 A N 0.697 123.094 122.820 -0.704 0.000 2.577 361 A HA 0.820 5.139 4.320 -0.000 0.000 0.297 361 A C -1.024 176.453 177.584 -0.178 0.000 1.060 361 A CA -0.141 51.515 52.037 -0.635 0.000 0.697 361 A CB 1.300 19.365 19.000 -1.559 0.000 1.281 361 A HN 1.090 nan 8.150 nan 0.000 0.402 362 G N -0.611 108.250 108.800 0.101 0.000 2.642 362 G HA2 0.913 4.872 3.960 -0.000 0.000 0.293 362 G HA3 0.913 4.872 3.960 -0.000 0.000 0.293 362 G C -0.809 174.160 174.900 0.116 0.000 1.341 362 G CA 0.013 45.216 45.100 0.171 0.000 0.916 362 G HN 2.028 nan 8.290 nan 0.000 0.474 363 A N -0.427 122.484 122.820 0.152 0.000 2.398 363 A HA 0.821 5.141 4.320 -0.000 0.000 0.301 363 A C 0.240 177.892 177.584 0.113 0.000 1.041 363 A CA -0.017 52.098 52.037 0.130 0.000 0.711 363 A CB 1.498 20.591 19.000 0.155 0.000 1.240 363 A HN 1.761 nan 8.150 nan 0.000 0.420 364 G N 0.607 109.458 108.800 0.085 0.000 2.365 364 G HA2 0.489 4.449 3.960 -0.000 0.000 0.249 364 G HA3 0.489 4.449 3.960 -0.000 0.000 0.249 364 G C -0.370 174.567 174.900 0.061 0.000 1.288 364 G CA 0.075 45.213 45.100 0.062 0.000 0.887 364 G HN 0.919 nan 8.290 nan 0.000 0.524 365 V N 2.883 122.824 119.914 0.045 0.000 2.628 365 V HA 0.695 4.815 4.120 -0.000 0.000 0.306 365 V C 0.272 176.381 176.094 0.025 0.000 1.045 365 V CA -0.531 61.788 62.300 0.033 0.000 0.905 365 V CB 1.598 33.431 31.823 0.017 0.000 0.997 365 V HN 0.934 nan 8.190 nan 0.000 0.436 366 V N 1.054 120.984 119.914 0.026 0.000 3.159 366 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 366 V C 1.010 177.118 176.094 0.022 0.000 1.190 366 V CA -0.121 62.195 62.300 0.027 0.000 1.037 366 V CB 1.284 33.130 31.823 0.039 0.000 1.060 366 V HN 0.952 nan 8.190 nan 0.000 0.437 367 A N 0.214 123.047 122.820 0.022 0.000 1.929 367 A HA -0.261 4.058 4.320 -0.000 0.000 0.221 367 A C 1.662 179.256 177.584 0.018 0.000 1.211 367 A CA 2.911 54.958 52.037 0.018 0.000 0.657 367 A CB -0.993 18.019 19.000 0.019 0.000 0.827 367 A HN 1.108 nan 8.150 nan 0.000 0.462 368 E N 0.689 120.903 120.200 0.024 0.000 2.347 368 E HA 0.063 4.412 4.350 -0.000 0.000 0.196 368 E C 0.859 177.473 176.600 0.024 0.000 1.008 368 E CA 0.424 56.838 56.400 0.024 0.000 0.852 368 E CB -0.190 29.528 29.700 0.029 0.000 0.783 368 E HN 0.524 nan 8.360 nan 0.000 0.505 369 S N 0.795 116.510 115.700 0.025 0.000 2.559 369 S HA 0.285 4.754 4.470 -0.000 0.000 0.282 369 S C 0.379 174.991 174.600 0.020 0.000 1.336 369 S CA 0.442 58.658 58.200 0.026 0.000 1.037 369 S CB 0.408 63.622 63.200 0.024 0.000 0.853 369 S HN 0.342 nan 8.310 nan 0.000 0.523 370 K N 2.486 122.901 120.400 0.025 0.000 2.535 370 K HA 0.539 4.859 4.320 -0.000 0.000 0.253 370 K C -2.422 174.195 176.600 0.027 0.000 0.953 370 K CA -2.179 54.122 56.287 0.023 0.000 0.863 370 K CB 0.476 32.992 32.500 0.027 0.000 1.111 370 K HN 0.362 nan 8.250 nan 0.000 0.431 371 P HA -0.324 nan 4.420 nan 0.000 0.221 371 P C 1.006 178.339 177.300 0.055 0.000 1.160 371 P CA 1.700 64.808 63.100 0.014 0.000 0.933 371 P CB 0.419 32.121 31.700 0.003 0.000 0.793 372 E N -0.865 119.367 120.200 0.054 0.000 2.110 372 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 372 E C 1.639 178.278 176.600 0.066 0.000 0.988 372 E CA 1.194 57.632 56.400 0.063 0.000 0.804 372 E CB -0.772 28.959 29.700 0.051 0.000 0.745 372 E HN 0.369 nan 8.360 nan 0.000 0.458 373 D N 0.818 121.254 120.400 0.059 0.000 2.117 373 D HA -0.118 4.522 4.640 -0.000 0.000 0.198 373 D C 1.867 178.212 176.300 0.076 0.000 0.982 373 D CA 0.704 54.739 54.000 0.058 0.000 0.828 373 D CB -0.120 40.710 40.800 0.050 0.000 0.967 373 D HN 0.120 nan 8.370 nan 0.000 0.464 374 E N 0.575 120.834 120.200 0.097 0.000 2.058 374 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 374 E C 2.254 178.978 176.600 0.207 0.000 0.997 374 E CA 0.351 56.840 56.400 0.149 0.000 0.801 374 E CB -0.534 29.257 29.700 0.151 0.000 0.746 374 E HN 0.234 nan 8.360 nan 0.000 0.450 375 L N 0.995 122.355 121.223 0.228 0.000 2.042 375 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 375 L C 2.236 179.104 176.870 -0.003 0.000 1.076 375 L CA 2.164 57.081 54.840 0.128 0.000 0.749 375 L CB -0.737 41.383 42.059 0.101 0.000 0.893 375 L HN 0.062 nan 8.230 nan 0.000 0.432 376 A N -0.831 122.006 122.820 0.028 0.000 1.902 376 A HA -0.279 4.040 4.320 -0.000 0.000 0.217 376 A C 2.337 179.931 177.584 0.017 0.000 1.181 376 A CA 1.823 53.871 52.037 0.018 0.000 0.623 376 A CB -0.760 18.261 19.000 0.033 0.000 0.818 376 A HN 0.646 nan 8.150 nan 0.000 0.443 377 E N -0.228 119.991 120.200 0.032 0.000 2.110 377 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 377 E C 2.113 178.700 176.600 -0.022 0.000 0.988 377 E CA 1.888 58.305 56.400 0.028 0.000 0.804 377 E CB -0.232 29.503 29.700 0.058 0.000 0.745 377 E HN 0.758 nan 8.360 nan 0.000 0.458 378 T N -1.723 112.789 114.554 -0.070 0.000 2.746 378 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 378 T C 2.158 176.740 174.700 -0.198 0.000 1.039 378 T CA 1.555 63.514 62.100 -0.235 0.000 1.142 378 T CB -0.401 68.251 68.868 -0.359 0.000 0.866 378 T HN -0.013 nan 8.240 nan 0.000 0.444 379 S N 1.946 117.646 115.700 -0.001 0.000 2.356 379 S HA 0.074 4.544 4.470 -0.000 0.000 0.223 379 S C 2.656 177.314 174.600 0.097 0.000 1.032 379 S CA 1.067 59.353 58.200 0.143 0.000 1.005 379 S CB -0.944 62.296 63.200 0.067 0.000 0.867 379 S HN 0.794 nan 8.310 nan 0.000 0.449 380 A N 1.534 124.373 122.820 0.032 0.000 1.940 380 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 380 A C 2.038 179.630 177.584 0.013 0.000 1.176 380 A CA 1.560 53.610 52.037 0.022 0.000 0.631 380 A CB -0.395 18.615 19.000 0.016 0.000 0.814 380 A HN 0.463 nan 8.150 nan 0.000 0.446 381 K N -1.576 118.806 120.400 -0.029 0.000 2.155 381 K HA 0.004 4.324 4.320 -0.000 0.000 0.203 381 K C 1.434 178.003 176.600 -0.052 0.000 1.052 381 K CA 1.036 57.292 56.287 -0.053 0.000 0.948 381 K CB -0.246 32.191 32.500 -0.105 0.000 0.728 381 K HN 0.438 nan 8.250 nan 0.000 0.448 382 F N 2.175 122.114 119.950 -0.019 0.000 2.333 382 F HA -0.166 4.361 4.527 -0.000 0.000 0.300 382 F C 2.307 178.078 175.800 -0.048 0.000 1.083 382 F CA 1.005 58.977 58.000 -0.046 0.000 1.395 382 F CB -0.290 38.661 39.000 -0.082 0.000 1.056 382 F HN 0.011 nan 8.300 nan 0.000 0.529 383 Q N -0.044 119.829 119.800 0.121 0.000 2.181 383 Q HA -0.103 4.237 4.340 -0.000 0.000 0.205 383 Q C 1.258 177.262 176.000 0.008 0.000 0.980 383 Q CA 1.053 56.878 55.803 0.037 0.000 0.862 383 Q CB -1.372 27.368 28.738 0.003 0.000 0.905 383 Q HN 0.292 nan 8.270 nan 0.000 0.429 387 K N 1.769 122.101 120.400 -0.113 0.000 2.097 387 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 387 K C 1.857 178.367 176.600 -0.150 0.000 1.049 387 K CA 1.607 57.806 56.287 -0.145 0.000 0.933 387 K CB 0.037 32.434 32.500 -0.171 0.000 0.717 387 K HN 0.331 nan 8.250 nan 0.000 0.442 388 A N 0.767 123.515 122.820 -0.119 0.000 2.019 388 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 388 A C 1.797 179.324 177.584 -0.095 0.000 1.164 388 A CA 1.092 53.074 52.037 -0.092 0.000 0.644 388 A CB -0.323 18.636 19.000 -0.068 0.000 0.805 388 A HN 0.331 nan 8.150 nan 0.000 0.449 389 L N -0.972 120.169 121.223 -0.135 0.000 2.611 389 L HA 0.239 4.579 4.340 -0.000 0.000 0.229 389 L C 1.571 178.303 176.870 -0.230 0.000 1.137 389 L CA 0.493 55.220 54.840 -0.188 0.000 0.901 389 L CB -0.094 41.789 42.059 -0.293 0.000 1.098 389 L HN 0.514 nan 8.230 nan 0.000 0.456 390 G N 0.467 109.166 108.800 -0.169 0.000 2.203 390 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 390 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 390 G C 0.574 175.360 174.900 -0.191 0.000 1.012 390 G CA 0.517 45.529 45.100 -0.147 0.000 0.749 390 G HN 0.402 nan 8.290 nan 0.000 0.512 391 L N 0.527 121.605 121.223 -0.241 0.000 2.808 391 L HA 0.208 4.547 4.340 -0.000 0.000 0.246 391 L C 1.527 178.304 176.870 -0.155 0.000 1.153 391 L CA -0.188 54.512 54.840 -0.232 0.000 0.956 391 L CB -0.297 41.557 42.059 -0.342 0.000 1.270 391 L HN 0.466 nan 8.230 nan 0.000 0.528 392 N N 0.000 118.623 118.700 -0.128 0.000 1.763 392 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 392 N CA 0.000 52.994 53.050 -0.093 0.000 0.885 392 N CB 0.000 38.432 38.487 -0.091 0.000 1.341 392 N HN 0.000 nan 8.380 nan 0.000 0.667