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 2drw_1_B DATA FIRST_RESID 2 DATA SEQUENCE SDLNNAIQGI LDDHVARGVV GVSLALCLPG EETSLYQSGY ADKFNKMPMT DATA SEQUENCE GDHLFRIASC TKSFIATGLH LLVQDGTVDL DEPITRWFPD LPKAAQMPVR DATA SEQUENCE ILLNHRSGLP DFETSMPMIS DKSWTAQEIV DFSFRHGVQK EPWHGMEYSN DATA SEQUENCE TGYVLAGMII AHETGKPYSD HLRSRIFAPL GMKDTWVGTH ETFPIEREAR DATA SEQUENCE GYMHAAADDE NPQWDVSGAG DPVDGVWDST EWFPLSGANA AGDMVSTPRD DATA SEQUENCE IVKFLNALFD GRILDQKRLW EMKDNIKPAF FPGSNTVANG HGLLLMRYGS DATA SEQUENCE SELKGHLGQI PGHTSIMGRD EETGAALMLI QNSGAGDFES FYLKGVNEPV DATA SEQUENCE DRVLEAIKNS RS 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.616 174.600 0.026 0.000 1.055 2 S CA 0.000 58.217 58.200 0.028 0.000 1.107 2 S CB 0.000 63.210 63.200 0.017 0.000 0.593 3 D N 1.362 121.771 120.400 0.016 0.000 2.097 3 D HA -0.035 4.605 4.640 0.001 0.000 0.195 3 D C 1.924 178.227 176.300 0.004 0.000 0.989 3 D CA 1.292 55.296 54.000 0.007 0.000 0.827 3 D CB -0.245 40.556 40.800 0.001 0.000 0.966 3 D HN 0.163 nan 8.370 nan 0.000 0.456 4 L N 1.215 122.443 121.223 0.008 0.000 2.017 4 L HA -0.147 4.194 4.340 0.001 0.000 0.208 4 L C 1.782 178.658 176.870 0.010 0.000 1.073 4 L CA 1.640 56.479 54.840 -0.001 0.000 0.745 4 L CB -0.973 41.092 42.059 0.009 0.000 0.894 4 L HN -0.020 nan 8.230 nan 0.000 0.432 5 N N -0.023 118.727 118.700 0.082 0.000 2.104 5 N HA -0.232 4.508 4.740 0.001 0.000 0.190 5 N C 1.741 177.320 175.510 0.114 0.000 1.024 5 N CA 1.537 54.702 53.050 0.191 0.000 0.853 5 N CB -0.826 37.772 38.487 0.184 0.000 1.008 5 N HN 0.509 nan 8.380 nan 0.000 0.424 6 N N 0.964 119.696 118.700 0.053 0.000 2.106 6 N HA -0.056 4.685 4.740 0.001 0.000 0.188 6 N C 1.520 177.020 175.510 -0.016 0.000 1.029 6 N CA 1.245 54.310 53.050 0.026 0.000 0.848 6 N CB -0.032 38.466 38.487 0.019 0.000 1.007 6 N HN 0.180 nan 8.380 nan 0.000 0.423 7 A N 1.492 124.291 122.820 -0.036 0.000 1.908 7 A HA -0.086 4.234 4.320 0.001 0.000 0.218 7 A C 2.402 179.916 177.584 -0.118 0.000 1.181 7 A CA 1.016 53.015 52.037 -0.063 0.000 0.627 7 A CB -0.656 18.309 19.000 -0.058 0.000 0.818 7 A HN 0.370 nan 8.150 nan 0.000 0.445 8 I N -1.053 119.396 120.570 -0.201 0.000 2.179 8 I HA -0.278 3.892 4.170 0.001 0.000 0.242 8 I C 2.771 178.686 176.117 -0.336 0.000 1.088 8 I CA 1.787 62.855 61.300 -0.387 0.000 1.357 8 I CB -0.326 37.190 38.000 -0.806 0.000 1.051 8 I HN 0.391 nan 8.210 nan 0.000 0.409 9 Q N 1.283 120.954 119.800 -0.216 0.000 2.096 9 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 9 Q C 2.097 178.077 176.000 -0.034 0.000 0.982 9 Q CA 2.288 58.067 55.803 -0.041 0.000 0.850 9 Q CB -0.764 28.024 28.738 0.083 0.000 0.901 9 Q HN 0.497 nan 8.270 nan 0.000 0.422 10 G N 0.194 108.971 108.800 -0.038 0.000 2.418 10 G HA2 -0.219 3.741 3.960 0.001 0.000 0.217 10 G HA3 -0.219 3.741 3.960 0.001 0.000 0.217 10 G C 1.448 176.334 174.900 -0.023 0.000 1.158 10 G CA 0.907 45.995 45.100 -0.020 0.000 0.771 10 G HN 0.425 nan 8.290 nan 0.000 0.545 11 I N 0.547 121.083 120.570 -0.057 0.000 2.151 11 I HA -0.223 3.947 4.170 0.001 0.000 0.243 11 I C 2.730 178.836 176.117 -0.018 0.000 1.080 11 I CA 0.965 62.233 61.300 -0.054 0.000 1.339 11 I CB -0.200 37.733 38.000 -0.111 0.000 1.039 11 I HN 0.139 nan 8.210 nan 0.000 0.409 12 L N -0.091 121.110 121.223 -0.036 0.000 2.056 12 L HA -0.208 4.132 4.340 0.001 0.000 0.207 12 L C 2.228 179.145 176.870 0.080 0.000 1.078 12 L CA 1.212 56.066 54.840 0.023 0.000 0.749 12 L CB -0.871 41.190 42.059 0.003 0.000 0.901 12 L HN 0.286 nan 8.230 nan 0.000 0.433 13 D N 0.278 120.706 120.400 0.047 0.000 2.097 13 D HA -0.188 4.452 4.640 0.001 0.000 0.195 13 D C 1.757 178.095 176.300 0.063 0.000 0.989 13 D CA 1.307 55.337 54.000 0.050 0.000 0.827 13 D CB -0.330 40.489 40.800 0.030 0.000 0.966 13 D HN 0.266 nan 8.370 nan 0.000 0.456 14 D N -0.356 120.080 120.400 0.060 0.000 2.133 14 D HA -0.170 4.470 4.640 0.001 0.000 0.195 14 D C 1.948 178.314 176.300 0.110 0.000 0.997 14 D CA 1.037 55.076 54.000 0.064 0.000 0.840 14 D CB -0.419 40.411 40.800 0.051 0.000 0.947 14 D HN 0.343 nan 8.370 nan 0.000 0.452 15 H N 0.200 119.296 119.070 0.043 0.000 2.357 15 H HA -0.025 4.531 4.556 0.001 0.000 0.301 15 H C 2.018 177.417 175.328 0.118 0.000 1.082 15 H CA 1.146 57.248 56.048 0.090 0.000 1.342 15 H CB -0.236 29.559 29.762 0.055 0.000 1.389 15 H HN -0.092 nan 8.280 nan 0.000 0.511 16 V N 0.527 120.503 119.914 0.104 0.000 2.332 16 V HA -0.274 3.846 4.120 0.001 0.000 0.248 16 V C 2.593 178.712 176.094 0.043 0.000 1.055 16 V CA 1.738 64.077 62.300 0.065 0.000 1.038 16 V CB -1.151 30.724 31.823 0.088 0.000 0.651 16 V HN 0.666 nan 8.190 nan 0.000 0.450 17 A N -0.458 122.383 122.820 0.035 0.000 2.119 17 A HA -0.124 4.196 4.320 0.001 0.000 0.217 17 A C 2.229 179.800 177.584 -0.021 0.000 1.153 17 A CA 0.931 52.977 52.037 0.015 0.000 0.692 17 A CB -0.449 18.559 19.000 0.013 0.000 0.799 17 A HN 0.523 nan 8.150 nan 0.000 0.458 18 R N -1.317 119.153 120.500 -0.050 0.000 2.323 18 R HA 0.126 4.466 4.340 0.001 0.000 0.198 18 R C 1.276 177.499 176.300 -0.128 0.000 0.988 18 R CA 0.628 56.631 56.100 -0.161 0.000 1.041 18 R CB -0.023 30.131 30.300 -0.243 0.000 0.926 18 R HN 0.647 nan 8.270 nan 0.000 0.476 19 G N -0.083 108.735 108.800 0.030 0.000 2.260 19 G HA2 -0.204 3.756 3.960 0.001 0.000 0.179 19 G HA3 -0.204 3.756 3.960 0.001 0.000 0.179 19 G C 0.084 175.147 174.900 0.272 0.000 1.002 19 G CA -0.460 44.749 45.100 0.181 0.000 0.677 19 G HN 0.080 nan 8.290 nan 0.000 0.486 20 V N 2.098 122.111 119.914 0.165 0.000 2.572 20 V HA 0.237 4.358 4.120 0.001 0.000 0.291 20 V C 2.037 178.232 176.094 0.169 0.000 1.039 20 V CA 0.393 62.778 62.300 0.143 0.000 1.055 20 V CB 1.466 33.249 31.823 -0.067 0.000 0.969 20 V HN 0.155 nan 8.190 nan 0.000 0.482 21 V N 4.314 124.364 119.914 0.226 0.000 2.295 21 V HA 0.095 4.216 4.120 0.001 0.000 0.246 21 V C 1.138 177.343 176.094 0.185 0.000 1.049 21 V CA 2.029 64.426 62.300 0.161 0.000 1.024 21 V CB -0.700 31.188 31.823 0.108 0.000 0.648 21 V HN 1.038 nan 8.190 nan 0.000 0.447 22 G N -1.805 107.118 108.800 0.205 0.000 2.646 22 G HA2 0.576 4.536 3.960 0.001 0.000 0.291 22 G HA3 0.576 4.536 3.960 0.001 0.000 0.291 22 G C -2.017 173.000 174.900 0.194 0.000 1.445 22 G CA -0.258 44.944 45.100 0.170 0.000 0.814 22 G HN 0.059 nan 8.290 nan 0.000 0.495 23 V N -0.233 119.774 119.914 0.155 0.000 2.851 23 V HA 0.770 4.890 4.120 0.001 0.000 0.307 23 V C -0.402 175.747 176.094 0.092 0.000 1.129 23 V CA -0.885 61.480 62.300 0.109 0.000 0.932 23 V CB 1.773 33.656 31.823 0.099 0.000 1.024 23 V HN 0.985 nan 8.190 nan 0.000 0.426 24 S N 3.738 119.442 115.700 0.007 0.000 2.561 24 S HA 0.836 5.306 4.470 0.001 0.000 0.303 24 S C -1.356 173.211 174.600 -0.055 0.000 1.110 24 S CA -0.429 57.791 58.200 0.034 0.000 1.034 24 S CB 1.246 64.545 63.200 0.166 0.000 1.010 24 S HN 0.784 nan 8.310 nan 0.000 0.482 25 L N 4.891 126.133 121.223 0.033 0.000 2.365 25 L HA 0.957 5.298 4.340 0.001 0.000 0.273 25 L C -0.658 176.262 176.870 0.084 0.000 1.000 25 L CA -0.243 54.617 54.840 0.034 0.000 0.819 25 L CB 1.685 43.777 42.059 0.056 0.000 1.284 25 L HN 0.754 nan 8.230 nan 0.000 0.418 26 A N 4.830 127.677 122.820 0.045 0.000 2.343 26 A HA 0.809 5.130 4.320 0.001 0.000 0.316 26 A C -1.778 175.836 177.584 0.050 0.000 1.104 26 A CA -0.477 51.592 52.037 0.053 0.000 0.768 26 A CB 1.329 20.349 19.000 0.033 0.000 1.213 26 A HN 0.823 nan 8.150 nan 0.000 0.456 27 L N 2.293 123.560 121.223 0.073 0.000 2.436 27 L HA 0.723 5.064 4.340 0.001 0.000 0.268 27 L C -1.280 175.612 176.870 0.037 0.000 0.974 27 L CA -0.215 54.657 54.840 0.052 0.000 0.826 27 L CB 1.704 43.820 42.059 0.094 0.000 1.291 27 L HN 0.814 nan 8.230 nan 0.000 0.406 28 C N 6.267 125.572 119.300 0.009 0.000 2.346 28 C HA 0.653 5.113 4.460 0.001 0.000 0.326 28 C C -0.364 174.619 174.990 -0.011 0.000 1.224 28 C CA -0.851 58.169 59.018 0.003 0.000 1.408 28 C CB -0.071 27.670 27.740 0.003 0.000 2.089 28 C HN 0.845 nan 8.230 nan 0.000 0.456 29 L N 7.752 128.972 121.223 -0.005 0.000 2.375 29 L HA 0.457 4.797 4.340 0.001 0.000 0.271 29 L C -1.695 175.167 176.870 -0.014 0.000 1.107 29 L CA -1.532 53.299 54.840 -0.014 0.000 0.806 29 L CB 1.023 43.078 42.059 -0.006 0.000 1.146 29 L HN 0.508 nan 8.230 nan 0.000 0.447 30 P HA -0.023 nan 4.420 nan 0.000 0.264 30 P C 0.678 177.974 177.300 -0.008 0.000 1.193 30 P CA 0.519 63.609 63.100 -0.015 0.000 0.763 30 P CB 0.733 32.422 31.700 -0.019 0.000 0.810 31 G N 2.011 110.809 108.800 -0.004 0.000 2.187 31 G HA2 -0.257 3.703 3.960 0.001 0.000 0.261 31 G HA3 -0.257 3.703 3.960 0.001 0.000 0.261 31 G C 0.022 174.921 174.900 -0.000 0.000 1.000 31 G CA 0.283 45.383 45.100 -0.001 0.000 0.718 31 G HN 0.614 nan 8.290 nan 0.000 0.519 32 E N -0.679 119.520 120.200 -0.001 0.000 2.334 32 E HA 0.563 4.913 4.350 0.001 0.000 0.256 32 E C -0.334 176.266 176.600 0.000 0.000 0.958 32 E CA -0.981 55.419 56.400 0.000 0.000 0.821 32 E CB 0.987 30.688 29.700 0.001 0.000 1.269 32 E HN 0.194 nan 8.360 nan 0.000 0.413 33 E N 0.830 121.029 120.200 -0.001 0.000 2.214 33 E HA 0.212 4.562 4.350 0.001 0.000 0.274 33 E C -0.798 175.798 176.600 -0.006 0.000 0.977 33 E CA -0.398 56.000 56.400 -0.003 0.000 0.827 33 E CB 1.583 31.279 29.700 -0.006 0.000 1.130 33 E HN 0.375 nan 8.360 nan 0.000 0.394 34 T N 1.893 116.445 114.554 -0.004 0.000 2.905 34 T HA 0.057 4.407 4.350 0.001 0.000 0.299 34 T C 0.110 174.793 174.700 -0.028 0.000 1.024 34 T CA 0.388 62.486 62.100 -0.004 0.000 1.151 34 T CB 0.103 68.974 68.868 0.004 0.000 0.987 34 T HN 0.220 nan 8.240 nan 0.000 0.535 35 S N 3.559 119.244 115.700 -0.025 0.000 2.429 35 S HA 0.479 4.949 4.470 0.001 0.000 0.302 35 S C -0.457 174.053 174.600 -0.150 0.000 1.115 35 S CA -0.936 57.196 58.200 -0.115 0.000 1.095 35 S CB 0.664 63.839 63.200 -0.042 0.000 0.987 35 S HN 0.328 nan 8.310 nan 0.000 0.474 36 L N 3.564 124.620 121.223 -0.278 0.000 2.309 36 L HA 0.578 4.919 4.340 0.001 0.000 0.282 36 L C -0.877 175.740 176.870 -0.422 0.000 1.036 36 L CA -0.348 54.377 54.840 -0.192 0.000 0.806 36 L CB 0.217 42.216 42.059 -0.099 0.000 1.220 36 L HN 0.626 nan 8.230 nan 0.000 0.429 37 Y N 1.304 121.602 120.300 -0.004 0.000 2.512 37 Y HA 0.714 5.265 4.550 0.001 0.000 0.348 37 Y C -0.356 175.548 175.900 0.007 0.000 0.990 37 Y CA -0.997 57.100 58.100 -0.004 0.000 1.033 37 Y CB 2.162 40.612 38.460 -0.017 0.000 1.259 37 Y HN 0.471 nan 8.280 nan 0.000 0.461 38 Q N 0.641 120.540 119.800 0.164 0.000 2.416 38 Q HA 0.753 5.093 4.340 0.001 0.000 0.281 38 Q C -1.294 174.751 176.000 0.075 0.000 1.067 38 Q CA -1.013 54.855 55.803 0.110 0.000 0.809 38 Q CB 2.700 31.494 28.738 0.092 0.000 1.418 38 Q HN 0.536 nan 8.270 nan 0.000 0.411 39 S N -0.318 115.412 115.700 0.050 0.000 2.564 39 S HA 0.871 5.342 4.470 0.001 0.000 0.274 39 S C -0.250 174.331 174.600 -0.032 0.000 1.124 39 S CA 0.386 58.590 58.200 0.007 0.000 0.869 39 S CB 1.142 64.364 63.200 0.037 0.000 1.105 39 S HN 1.274 nan 8.310 nan 0.000 0.472 40 G N 2.119 110.836 108.800 -0.139 0.000 2.553 40 G HA2 -0.186 3.774 3.960 0.001 0.000 0.242 40 G HA3 -0.186 3.774 3.960 0.001 0.000 0.242 40 G C -1.489 173.146 174.900 -0.441 0.000 1.277 40 G CA 0.086 45.067 45.100 -0.198 0.000 0.910 40 G HN 0.908 nan 8.290 nan 0.000 0.576 41 Y N 0.126 120.429 120.300 0.004 0.000 2.393 41 Y HA 0.624 5.175 4.550 0.001 0.000 0.341 41 Y C 1.340 177.217 175.900 -0.037 0.000 0.988 41 Y CA 0.142 58.224 58.100 -0.029 0.000 1.078 41 Y CB 1.978 40.397 38.460 -0.069 0.000 1.203 41 Y HN 0.877 nan 8.280 nan 0.000 0.453 42 A N 0.899 123.700 122.820 -0.032 0.000 1.970 42 A HA -0.034 4.286 4.320 0.001 0.000 0.216 42 A C 0.270 177.870 177.584 0.027 0.000 1.170 42 A CA 1.343 53.247 52.037 -0.222 0.000 0.645 42 A CB 0.016 18.455 19.000 -0.936 0.000 0.816 42 A HN 0.642 nan 8.150 nan 0.000 0.447 43 D N -1.086 119.387 120.400 0.123 0.000 2.473 43 D HA 0.218 4.858 4.640 0.001 0.000 0.253 43 D C 0.630 176.976 176.300 0.075 0.000 1.233 43 D CA -0.406 53.705 54.000 0.185 0.000 0.908 43 D CB 1.286 42.170 40.800 0.141 0.000 1.170 43 D HN 0.185 nan 8.370 nan 0.000 0.558 44 K N 2.665 123.008 120.400 -0.095 0.000 2.057 44 K HA -0.133 4.187 4.320 0.001 0.000 0.207 44 K C 0.971 177.188 176.600 -0.638 0.000 1.049 44 K CA 1.409 57.324 56.287 -0.621 0.000 0.931 44 K CB 0.029 31.749 32.500 -1.299 0.000 0.714 44 K HN 0.278 nan 8.250 nan 0.000 0.440 45 F N 0.618 120.511 119.950 -0.094 0.000 2.387 45 F HA 0.101 4.629 4.527 0.001 0.000 0.294 45 F C 1.443 177.206 175.800 -0.062 0.000 1.093 45 F CA 0.738 58.685 58.000 -0.088 0.000 1.420 45 F CB -0.177 38.798 39.000 -0.041 0.000 1.086 45 F HN 0.081 nan 8.300 nan 0.000 0.531 46 N N 0.261 119.035 118.700 0.123 0.000 2.398 46 N HA -0.030 4.711 4.740 0.001 0.000 0.188 46 N C -0.224 175.312 175.510 0.042 0.000 1.122 46 N CA 0.016 53.114 53.050 0.081 0.000 0.866 46 N CB 0.119 38.664 38.487 0.097 0.000 0.970 46 N HN -0.170 nan 8.380 nan 0.000 0.462 47 K N 0.527 120.903 120.400 -0.041 0.000 3.077 47 K HA -0.172 4.148 4.320 0.001 0.000 0.264 47 K C -0.823 175.906 176.600 0.214 0.000 1.008 47 K CA 0.773 57.014 56.287 -0.076 0.000 0.740 47 K CB -1.258 31.184 32.500 -0.096 0.000 1.273 47 K HN 0.296 nan 8.250 nan 0.000 0.477 48 M N 1.275 121.019 119.600 0.241 0.000 2.084 48 M HA 0.223 4.703 4.480 0.001 0.000 0.351 48 M C -1.860 174.599 176.300 0.264 0.000 1.240 48 M CA -2.498 52.941 55.300 0.231 0.000 1.083 48 M CB 0.497 33.197 32.600 0.167 0.000 1.593 48 M HN -0.120 nan 8.290 nan 0.000 0.463 49 P HA 0.154 nan 4.420 nan 0.000 0.274 49 P C -0.411 176.868 177.300 -0.034 0.000 1.231 49 P CA -0.528 62.506 63.100 -0.110 0.000 0.790 49 P CB 0.637 32.257 31.700 -0.133 0.000 0.951 50 M N 2.965 122.494 119.600 -0.119 0.000 2.238 50 M HA 0.201 4.682 4.480 0.001 0.000 0.350 50 M C 0.172 176.560 176.300 0.147 0.000 1.321 50 M CA 0.850 56.134 55.300 -0.027 0.000 1.097 50 M CB -0.298 32.303 32.600 0.001 0.000 1.713 50 M HN 0.509 nan 8.290 nan 0.000 0.455 51 T N 1.099 115.896 114.554 0.406 0.000 2.910 51 T HA 0.689 5.039 4.350 0.001 0.000 0.287 51 T C 0.861 175.688 174.700 0.211 0.000 1.050 51 T CA -0.500 61.741 62.100 0.235 0.000 1.011 51 T CB 1.317 70.260 68.868 0.125 0.000 1.195 51 T HN 0.665 nan 8.240 nan 0.000 0.540 52 G N -0.339 108.526 108.800 0.107 0.000 2.679 52 G HA2 0.036 3.996 3.960 0.001 0.000 0.212 52 G HA3 0.036 3.996 3.960 0.001 0.000 0.212 52 G C 0.720 175.670 174.900 0.082 0.000 1.137 52 G CA 0.181 45.337 45.100 0.094 0.000 0.787 52 G HN 0.779 nan 8.290 nan 0.000 0.534 53 D N -0.417 120.000 120.400 0.029 0.000 2.367 53 D HA 0.042 4.682 4.640 0.001 0.000 0.207 53 D C 0.339 176.605 176.300 -0.056 0.000 1.034 53 D CA -0.081 53.903 54.000 -0.028 0.000 0.861 53 D CB 0.041 40.788 40.800 -0.089 0.000 0.943 53 D HN 0.279 nan 8.370 nan 0.000 0.515 54 H N 0.977 120.079 119.070 0.053 0.000 2.928 54 H HA 0.108 4.665 4.556 0.001 0.000 0.338 54 H C 0.703 176.017 175.328 -0.023 0.000 1.047 54 H CA 0.360 56.387 56.048 -0.034 0.000 1.435 54 H CB 0.991 30.667 29.762 -0.142 0.000 1.428 54 H HN -0.003 nan 8.280 nan 0.000 0.590 55 L N 3.719 124.966 121.223 0.040 0.000 2.399 55 L HA 0.337 4.677 4.340 0.001 0.000 0.266 55 L C -0.176 176.595 176.870 -0.165 0.000 1.114 55 L CA -0.157 54.725 54.840 0.070 0.000 0.804 55 L CB 0.505 42.638 42.059 0.123 0.000 1.146 55 L HN 0.371 nan 8.230 nan 0.000 0.451 56 F N -0.225 119.718 119.950 -0.012 0.000 2.599 56 F HA 0.489 5.016 4.527 0.000 0.000 0.311 56 F C 0.026 175.847 175.800 0.036 0.000 1.076 56 F CA -0.915 57.030 58.000 -0.091 0.000 0.937 56 F CB 1.739 40.575 39.000 -0.274 0.000 1.282 56 F HN 0.250 nan 8.300 nan 0.000 0.460 57 R N 2.681 123.476 120.500 0.492 0.000 2.248 57 R HA 0.303 4.643 4.340 0.001 0.000 0.328 57 R C 0.996 177.426 176.300 0.216 0.000 1.067 57 R CA -0.160 56.078 56.100 0.231 0.000 0.924 57 R CB 0.404 30.808 30.300 0.174 0.000 1.013 57 R HN 0.723 nan 8.270 nan 0.000 0.454 58 I N 0.387 121.020 120.570 0.104 0.000 3.684 58 I HA 0.196 4.366 4.170 0.001 0.000 0.304 58 I C 0.940 177.106 176.117 0.082 0.000 1.278 58 I CA 0.234 61.582 61.300 0.080 0.000 1.272 58 I CB -0.226 37.803 38.000 0.048 0.000 1.029 58 I HN 0.733 nan 8.210 nan 0.000 0.458 59 A N 1.869 124.748 122.820 0.097 0.000 5.481 59 A HA -0.373 3.947 4.320 0.001 0.000 0.318 59 A C 1.693 179.320 177.584 0.071 0.000 1.837 59 A CA 1.836 53.938 52.037 0.108 0.000 0.717 59 A CB -2.223 16.854 19.000 0.130 0.000 1.349 59 A HN 0.499 nan 8.150 nan 0.000 0.388 60 S N -1.130 114.613 115.700 0.071 0.000 2.537 60 S HA -0.094 4.376 4.470 0.001 0.000 0.240 60 S C 1.561 176.012 174.600 -0.249 0.000 0.981 60 S CA 1.247 59.436 58.200 -0.018 0.000 0.948 60 S CB -0.953 62.337 63.200 0.151 0.000 0.759 60 S HN 0.755 nan 8.310 nan 0.000 0.531 61 C N 1.391 120.647 119.300 -0.073 0.000 2.410 61 C HA -0.083 4.377 4.460 0.001 0.000 0.281 61 C C 2.744 177.757 174.990 0.038 0.000 1.318 61 C CA 0.909 59.908 59.018 -0.031 0.000 1.776 61 C CB -1.754 26.060 27.740 0.124 0.000 1.942 61 C HN 0.595 nan 8.230 nan 0.000 0.508 62 T N 0.819 115.392 114.554 0.031 0.000 2.778 62 T HA -0.214 4.136 4.350 0.001 0.000 0.269 62 T C 1.779 176.507 174.700 0.047 0.000 1.050 62 T CA 1.330 63.484 62.100 0.090 0.000 1.137 62 T CB -0.208 68.680 68.868 0.034 0.000 0.860 62 T HN 0.655 nan 8.240 nan 0.000 0.468 63 K N 0.924 121.185 120.400 -0.233 0.000 2.103 63 K HA -0.050 4.270 4.320 0.001 0.000 0.207 63 K C 2.702 179.228 176.600 -0.123 0.000 1.048 63 K CA 1.331 57.351 56.287 -0.446 0.000 0.930 63 K CB -0.161 31.687 32.500 -1.087 0.000 0.716 63 K HN 0.211 nan 8.250 nan 0.000 0.444 64 S N 0.618 116.264 115.700 -0.089 0.000 2.383 64 S HA -0.072 4.398 4.470 0.001 0.000 0.227 64 S C 1.672 176.287 174.600 0.025 0.000 1.026 64 S CA 1.134 59.365 58.200 0.052 0.000 0.981 64 S CB -0.236 63.008 63.200 0.073 0.000 0.818 64 S HN 0.192 nan 8.310 nan 0.000 0.472 65 F N 1.358 121.268 119.950 -0.066 0.000 2.146 65 F HA -0.001 4.526 4.527 0.000 0.000 0.298 65 F C 2.150 177.956 175.800 0.009 0.000 1.096 65 F CA 0.618 58.538 58.000 -0.134 0.000 1.275 65 F CB -0.376 38.507 39.000 -0.194 0.000 1.008 65 F HN 0.156 nan 8.300 nan 0.000 0.480 66 I N 0.162 120.865 120.570 0.221 0.000 2.252 66 I HA -0.253 3.917 4.170 0.001 0.000 0.245 66 I C 2.647 178.836 176.117 0.120 0.000 1.102 66 I CA 1.440 62.823 61.300 0.138 0.000 1.385 66 I CB -1.723 36.340 38.000 0.105 0.000 1.064 66 I HN 0.089 nan 8.210 nan 0.000 0.414 67 A N 0.632 123.569 122.820 0.195 0.000 1.883 67 A HA -0.212 4.108 4.320 0.001 0.000 0.217 67 A C 2.426 180.062 177.584 0.086 0.000 1.186 67 A CA 2.514 54.606 52.037 0.092 0.000 0.624 67 A CB -1.128 18.033 19.000 0.268 0.000 0.822 67 A HN 0.403 nan 8.150 nan 0.000 0.444 68 T N -0.104 114.588 114.554 0.230 0.000 2.684 68 T HA -0.104 4.246 4.350 0.001 0.000 0.267 68 T C 1.984 176.805 174.700 0.202 0.000 1.036 68 T CA 1.666 63.923 62.100 0.262 0.000 1.148 68 T CB -0.825 68.212 68.868 0.282 0.000 0.863 68 T HN 0.620 nan 8.240 nan 0.000 0.436 69 G N 1.327 110.236 108.800 0.183 0.000 2.469 69 G HA2 -0.188 3.772 3.960 0.001 0.000 0.219 69 G HA3 -0.188 3.772 3.960 0.001 0.000 0.219 69 G C 1.512 176.570 174.900 0.264 0.000 1.150 69 G CA 0.895 46.164 45.100 0.283 0.000 0.763 69 G HN 0.391 nan 8.290 nan 0.000 0.561 70 L N 0.134 121.380 121.223 0.037 0.000 2.027 70 L HA 0.023 4.363 4.340 0.001 0.000 0.206 70 L C 2.662 179.496 176.870 -0.059 0.000 1.074 70 L CA 1.729 56.507 54.840 -0.105 0.000 0.745 70 L CB -0.897 41.005 42.059 -0.261 0.000 0.898 70 L HN 0.284 nan 8.230 nan 0.000 0.433 71 H N -0.394 118.707 119.070 0.053 0.000 2.390 71 H HA -0.159 4.398 4.556 0.001 0.000 0.298 71 H C 2.378 177.747 175.328 0.068 0.000 1.106 71 H CA 1.902 57.980 56.048 0.050 0.000 1.297 71 H CB -0.405 29.385 29.762 0.047 0.000 1.375 71 H HN 0.345 nan 8.280 nan 0.000 0.509 72 L N 0.192 121.545 121.223 0.217 0.000 2.042 72 L HA -0.201 4.139 4.340 0.001 0.000 0.210 72 L C 2.609 179.576 176.870 0.161 0.000 1.076 72 L CA 0.880 55.828 54.840 0.179 0.000 0.749 72 L CB -0.431 41.736 42.059 0.181 0.000 0.893 72 L HN 0.178 nan 8.230 nan 0.000 0.432 73 L N -1.366 119.944 121.223 0.145 0.000 2.093 73 L HA -0.178 4.163 4.340 0.001 0.000 0.208 73 L C 2.493 179.413 176.870 0.082 0.000 1.085 73 L CA 0.633 55.522 54.840 0.082 0.000 0.755 73 L CB -0.576 41.482 42.059 -0.002 0.000 0.904 73 L HN 0.050 nan 8.230 nan 0.000 0.435 74 V N 0.652 120.621 119.914 0.091 0.000 2.255 74 V HA -0.329 3.791 4.120 0.001 0.000 0.247 74 V C 2.651 178.801 176.094 0.093 0.000 1.051 74 V CA 2.334 64.695 62.300 0.101 0.000 1.018 74 V CB -0.824 31.079 31.823 0.133 0.000 0.641 74 V HN 0.672 nan 8.190 nan 0.000 0.445 75 Q N -0.340 119.518 119.800 0.096 0.000 2.167 75 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 75 Q C 1.613 177.650 176.000 0.063 0.000 0.970 75 Q CA 1.920 57.766 55.803 0.072 0.000 0.855 75 Q CB -0.590 28.186 28.738 0.063 0.000 0.911 75 Q HN 0.498 nan 8.270 nan 0.000 0.438 76 D N 1.052 121.495 120.400 0.072 0.000 2.228 76 D HA -0.084 4.556 4.640 0.001 0.000 0.203 76 D C 1.225 177.559 176.300 0.056 0.000 0.988 76 D CA 1.899 55.937 54.000 0.063 0.000 0.864 76 D CB -0.280 40.565 40.800 0.074 0.000 0.928 76 D HN 0.636 nan 8.370 nan 0.000 0.469 77 G N -1.326 107.512 108.800 0.062 0.000 2.159 77 G HA2 -0.281 3.680 3.960 0.001 0.000 0.227 77 G HA3 -0.281 3.680 3.960 0.001 0.000 0.227 77 G C 1.199 176.140 174.900 0.068 0.000 0.986 77 G CA 0.683 45.818 45.100 0.058 0.000 0.651 77 G HN 0.340 nan 8.290 nan 0.000 0.523 78 T N -0.497 114.106 114.554 0.081 0.000 3.009 78 T HA 0.390 4.740 4.350 0.001 0.000 0.258 78 T C 0.871 175.665 174.700 0.155 0.000 1.063 78 T CA 1.318 63.478 62.100 0.101 0.000 1.139 78 T CB 0.562 69.485 68.868 0.092 0.000 0.890 78 T HN 0.403 nan 8.240 nan 0.000 0.471 79 V N 1.727 121.730 119.914 0.148 0.000 2.735 79 V HA 0.461 4.582 4.120 0.001 0.000 0.310 79 V C -1.029 175.152 176.094 0.146 0.000 1.061 79 V CA -1.313 61.106 62.300 0.198 0.000 0.913 79 V CB 2.320 34.213 31.823 0.117 0.000 1.005 79 V HN 0.186 nan 8.190 nan 0.000 0.428 80 D N 2.525 123.026 120.400 0.167 0.000 2.278 80 D HA 0.381 5.022 4.640 0.001 0.000 0.245 80 D C 0.781 177.157 176.300 0.127 0.000 1.052 80 D CA -0.437 53.638 54.000 0.124 0.000 0.834 80 D CB 2.268 43.133 40.800 0.107 0.000 1.194 80 D HN 0.427 nan 8.370 nan 0.000 0.481 81 L N 2.202 123.484 121.223 0.098 0.000 2.353 81 L HA -0.086 4.254 4.340 0.001 0.000 0.220 81 L C 1.159 178.094 176.870 0.109 0.000 1.133 81 L CA 0.901 55.789 54.840 0.080 0.000 0.798 81 L CB 0.036 42.125 42.059 0.051 0.000 0.922 81 L HN 0.377 nan 8.230 nan 0.000 0.445 82 D N -0.390 120.081 120.400 0.119 0.000 2.395 82 D HA 0.023 4.664 4.640 0.001 0.000 0.213 82 D C 0.500 176.881 176.300 0.136 0.000 1.110 82 D CA 0.087 54.168 54.000 0.135 0.000 0.835 82 D CB 0.416 41.285 40.800 0.115 0.000 0.965 82 D HN 0.532 nan 8.370 nan 0.000 0.505 83 E N 2.079 122.365 120.200 0.143 0.000 2.343 83 E HA 0.282 4.632 4.350 0.001 0.000 0.269 83 E C -2.554 174.149 176.600 0.170 0.000 1.047 83 E CA -1.880 54.600 56.400 0.134 0.000 0.874 83 E CB 1.057 30.829 29.700 0.120 0.000 1.033 83 E HN -0.175 nan 8.360 nan 0.000 0.409 84 P HA -0.015 nan 4.420 nan 0.000 0.271 84 P C 0.863 178.282 177.300 0.198 0.000 1.216 84 P CA -0.030 63.156 63.100 0.145 0.000 0.776 84 P CB 0.609 32.362 31.700 0.089 0.000 0.881 85 I N 0.325 121.063 120.570 0.279 0.000 3.334 85 I HA -0.101 4.070 4.170 0.001 0.000 0.282 85 I C 1.381 177.682 176.117 0.308 0.000 1.313 85 I CA 0.760 62.337 61.300 0.462 0.000 1.396 85 I CB -1.310 37.002 38.000 0.519 0.000 1.054 85 I HN 0.203 nan 8.210 nan 0.000 0.495 86 T N -0.640 113.994 114.554 0.132 0.000 2.897 86 T HA -0.228 4.123 4.350 0.001 0.000 0.271 86 T C 1.927 176.539 174.700 -0.146 0.000 1.084 86 T CA 1.443 63.560 62.100 0.029 0.000 1.123 86 T CB -0.575 68.299 68.868 0.008 0.000 0.865 86 T HN 0.557 nan 8.240 nan 0.000 0.496 87 R N -0.304 119.998 120.500 -0.329 0.000 2.105 87 R HA -0.085 4.255 4.340 0.001 0.000 0.239 87 R C 1.822 177.597 176.300 -0.874 0.000 1.135 87 R CA 1.753 57.415 56.100 -0.731 0.000 0.967 87 R CB -0.158 29.375 30.300 -1.278 0.000 0.861 87 R HN 0.594 nan 8.270 nan 0.000 0.442 88 W N -1.233 119.763 121.300 -0.506 0.000 2.792 88 W HA 0.179 4.839 4.660 0.001 0.000 0.262 88 W C -0.146 175.798 176.519 -0.958 0.000 1.212 88 W CA -0.219 56.564 57.345 -0.936 0.000 1.433 88 W CB 0.302 28.896 29.460 -1.443 0.000 1.004 88 W HN -0.082 nan 8.180 nan 0.000 0.608 89 F N 1.464 121.501 119.950 0.145 0.000 2.523 89 F HA 0.326 4.853 4.527 0.000 0.000 0.322 89 F C -1.640 174.171 175.800 0.018 0.000 1.361 89 F CA -2.606 55.435 58.000 0.068 0.000 1.151 89 F CB -0.344 38.706 39.000 0.084 0.000 1.391 89 F HN -0.324 nan 8.300 nan 0.000 0.566 90 P HA -0.138 nan 4.420 nan 0.000 0.220 90 P C 0.557 177.878 177.300 0.035 0.000 1.148 90 P CA 1.492 64.607 63.100 0.025 0.000 0.803 90 P CB 0.511 32.196 31.700 -0.026 0.000 0.782 91 D N -0.655 119.767 120.400 0.037 0.000 2.350 91 D HA 0.067 4.707 4.640 0.001 0.000 0.213 91 D C 0.950 177.225 176.300 -0.042 0.000 1.031 91 D CA -0.105 53.894 54.000 -0.003 0.000 0.861 91 D CB 0.008 40.799 40.800 -0.014 0.000 0.926 91 D HN 0.204 nan 8.370 nan 0.000 0.520 92 L N 2.423 123.638 121.223 -0.013 0.000 2.477 92 L HA 0.196 4.536 4.340 0.001 0.000 0.272 92 L C -2.344 174.497 176.870 -0.047 0.000 1.157 92 L CA -1.160 53.611 54.840 -0.115 0.000 0.889 92 L CB 0.583 42.619 42.059 -0.039 0.000 1.158 92 L HN -0.313 nan 8.230 nan 0.000 0.473 93 P HA -0.012 nan 4.420 nan 0.000 0.261 93 P C -0.660 176.710 177.300 0.117 0.000 1.183 93 P CA 0.351 63.480 63.100 0.048 0.000 0.761 93 P CB 0.288 32.062 31.700 0.123 0.000 0.785 94 K N 1.227 121.682 120.400 0.092 0.000 3.467 94 K HA -0.248 4.072 4.320 0.001 0.000 0.309 94 K C 1.136 177.797 176.600 0.102 0.000 1.350 94 K CA 0.741 57.086 56.287 0.096 0.000 0.934 94 K CB -2.156 30.405 32.500 0.101 0.000 1.312 94 K HN 0.498 nan 8.250 nan 0.000 0.461 95 A N 1.035 123.919 122.820 0.107 0.000 1.972 95 A HA 0.032 4.352 4.320 0.001 0.000 0.219 95 A C 2.409 180.067 177.584 0.123 0.000 1.169 95 A CA 1.909 54.026 52.037 0.133 0.000 0.635 95 A CB -0.399 18.701 19.000 0.167 0.000 0.810 95 A HN 0.560 nan 8.150 nan 0.000 0.446 96 A N -0.885 121.993 122.820 0.097 0.000 2.019 96 A HA -0.144 4.176 4.320 0.001 0.000 0.219 96 A C 1.896 179.545 177.584 0.108 0.000 1.164 96 A CA 1.644 53.734 52.037 0.088 0.000 0.644 96 A CB -0.338 18.701 19.000 0.065 0.000 0.805 96 A HN 0.577 nan 8.150 nan 0.000 0.449 97 Q N -0.952 118.919 119.800 0.117 0.000 2.365 97 Q HA 0.320 4.660 4.340 0.001 0.000 0.203 97 Q C -0.178 175.920 176.000 0.162 0.000 0.929 97 Q CA 0.245 56.139 55.803 0.151 0.000 0.948 97 Q CB 0.207 29.037 28.738 0.152 0.000 1.043 97 Q HN 0.616 nan 8.270 nan 0.000 0.505 98 M N 2.527 122.203 119.600 0.128 0.000 2.023 98 M HA 0.342 4.823 4.480 0.001 0.000 0.325 98 M C -2.432 173.949 176.300 0.134 0.000 0.963 98 M CA -2.124 53.227 55.300 0.085 0.000 0.928 98 M CB 1.446 34.080 32.600 0.057 0.000 1.429 98 M HN -0.177 nan 8.290 nan 0.000 0.404 99 P HA 0.075 nan 4.420 nan 0.000 0.272 99 P C 0.912 178.290 177.300 0.131 0.000 1.223 99 P CA -0.302 62.910 63.100 0.187 0.000 0.784 99 P CB 1.254 33.110 31.700 0.260 0.000 0.923 100 V N 3.282 123.280 119.914 0.141 0.000 2.317 100 V HA -0.316 3.805 4.120 0.001 0.000 0.251 100 V C 2.804 178.893 176.094 -0.008 0.000 1.065 100 V CA 2.896 65.231 62.300 0.059 0.000 1.049 100 V CB -1.404 30.448 31.823 0.048 0.000 0.651 100 V HN 0.698 nan 8.190 nan 0.000 0.450 101 R N 0.413 120.941 120.500 0.048 0.000 2.159 101 R HA -0.151 4.189 4.340 0.001 0.000 0.237 101 R C 2.177 178.513 176.300 0.060 0.000 1.131 101 R CA 2.131 58.279 56.100 0.079 0.000 0.982 101 R CB -0.757 29.624 30.300 0.135 0.000 0.868 101 R HN 0.479 nan 8.270 nan 0.000 0.453 102 I N 1.205 121.741 120.570 -0.057 0.000 2.756 102 I HA -0.146 4.024 4.170 0.001 0.000 0.262 102 I C 1.733 177.692 176.117 -0.264 0.000 1.225 102 I CA 0.780 61.914 61.300 -0.276 0.000 1.472 102 I CB 0.109 37.821 38.000 -0.479 0.000 1.094 102 I HN 0.256 nan 8.210 nan 0.000 0.454 103 L N -0.170 120.914 121.223 -0.231 0.000 2.291 103 L HA -0.149 4.192 4.340 0.001 0.000 0.214 103 L C 1.950 178.479 176.870 -0.567 0.000 1.120 103 L CA 0.922 55.563 54.840 -0.331 0.000 0.799 103 L CB -0.228 41.647 42.059 -0.307 0.000 0.925 103 L HN 0.294 nan 8.230 nan 0.000 0.446 104 L N -0.429 120.520 121.223 -0.458 0.000 2.575 104 L HA 0.070 4.411 4.340 0.001 0.000 0.228 104 L C 1.449 178.141 176.870 -0.297 0.000 1.075 104 L CA 0.081 54.620 54.840 -0.502 0.000 0.867 104 L CB -0.110 41.834 42.059 -0.192 0.000 1.097 104 L HN 0.351 nan 8.230 nan 0.000 0.485 105 N N -1.972 116.564 118.700 -0.273 0.000 2.230 105 N HA -0.089 4.651 4.740 0.001 0.000 0.202 105 N C 0.320 175.761 175.510 -0.114 0.000 1.119 105 N CA -0.208 52.706 53.050 -0.226 0.000 0.851 105 N CB -0.207 38.145 38.487 -0.224 0.000 0.990 105 N HN 0.177 nan 8.380 nan 0.000 0.497 106 H N -0.261 118.782 119.070 -0.046 0.000 2.862 106 H HA -0.113 4.443 4.556 0.000 0.000 0.290 106 H C -0.170 175.117 175.328 -0.068 0.000 1.211 106 H CA 0.846 56.873 56.048 -0.035 0.000 1.140 106 H CB -1.572 28.205 29.762 0.026 0.000 1.341 106 H HN 0.527 nan 8.280 nan 0.000 0.392 107 R N -0.102 120.331 120.500 -0.112 0.000 2.572 107 R HA 0.108 4.448 4.340 0.001 0.000 0.370 107 R C 1.728 177.856 176.300 -0.286 0.000 1.005 107 R CA 0.723 56.695 56.100 -0.212 0.000 1.146 107 R CB 0.629 30.801 30.300 -0.214 0.000 1.390 107 R HN 0.288 nan 8.270 nan 0.000 0.553 108 S N -0.388 115.191 115.700 -0.201 0.000 2.428 108 S HA -0.025 4.445 4.470 0.001 0.000 0.230 108 S C 1.665 176.246 174.600 -0.031 0.000 1.014 108 S CA 0.871 58.956 58.200 -0.192 0.000 0.957 108 S CB -0.003 63.109 63.200 -0.147 0.000 0.784 108 S HN 0.447 nan 8.310 nan 0.000 0.499 109 G N 1.051 109.921 108.800 0.117 0.000 2.155 109 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 109 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 109 G C 0.008 174.856 174.900 -0.086 0.000 0.983 109 G CA 0.414 45.516 45.100 0.003 0.000 0.676 109 G HN 0.572 nan 8.290 nan 0.000 0.528 110 L N 2.028 123.211 121.223 -0.065 0.000 2.483 110 L HA 0.272 4.612 4.340 0.001 0.000 0.276 110 L C -0.968 175.785 176.870 -0.195 0.000 1.213 110 L CA -1.401 53.361 54.840 -0.130 0.000 0.843 110 L CB 0.305 42.318 42.059 -0.077 0.000 1.107 110 L HN 0.045 nan 8.230 nan 0.000 0.487 111 P HA 0.094 nan 4.420 nan 0.000 0.275 111 P C -1.273 175.925 177.300 -0.169 0.000 1.227 111 P CA -0.289 62.613 63.100 -0.330 0.000 0.781 111 P CB 1.146 32.486 31.700 -0.600 0.000 0.906 112 D N 0.860 121.223 120.400 -0.062 0.000 2.228 112 D HA 0.354 4.994 4.640 0.001 0.000 0.247 112 D C 0.628 177.003 176.300 0.125 0.000 0.995 112 D CA -0.541 53.457 54.000 -0.004 0.000 0.903 112 D CB 0.709 41.463 40.800 -0.078 0.000 1.205 112 D HN 0.327 nan 8.370 nan 0.000 0.459 113 F N 0.319 120.359 119.950 0.150 0.000 2.714 113 F HA 0.341 4.868 4.527 0.000 0.000 0.294 113 F C 1.705 177.620 175.800 0.191 0.000 1.120 113 F CA -0.240 57.920 58.000 0.267 0.000 1.398 113 F CB -0.247 38.863 39.000 0.183 0.000 1.120 113 F HN 0.353 nan 8.300 nan 0.000 0.589 114 E N 1.048 121.082 120.200 -0.277 0.000 2.106 114 E HA -0.213 4.137 4.350 0.001 0.000 0.192 114 E C 2.160 178.811 176.600 0.085 0.000 0.984 114 E CA 1.634 57.962 56.400 -0.121 0.000 0.806 114 E CB -0.237 29.349 29.700 -0.190 0.000 0.750 114 E HN 0.435 nan 8.360 nan 0.000 0.458 115 T N -0.480 114.113 114.554 0.065 0.000 2.759 115 T HA -0.125 4.226 4.350 0.001 0.000 0.269 115 T C 1.726 176.506 174.700 0.133 0.000 1.042 115 T CA 2.226 64.372 62.100 0.077 0.000 1.140 115 T CB -0.134 68.761 68.868 0.044 0.000 0.864 115 T HN 0.208 nan 8.240 nan 0.000 0.455 116 S N -0.435 115.393 115.700 0.215 0.000 2.559 116 S HA 0.397 4.868 4.470 0.001 0.000 0.226 116 S C 0.570 175.383 174.600 0.355 0.000 1.000 116 S CA -0.547 57.789 58.200 0.227 0.000 0.948 116 S CB -0.347 62.905 63.200 0.086 0.000 0.870 116 S HN 0.623 nan 8.310 nan 0.000 0.497 117 M N 4.356 124.122 119.600 0.277 0.000 2.246 117 M HA 0.201 4.682 4.480 0.001 0.000 0.350 117 M C -2.571 173.796 176.300 0.112 0.000 1.406 117 M CA -1.741 53.520 55.300 -0.064 0.000 1.089 117 M CB 0.466 32.908 32.600 -0.264 0.000 1.782 117 M HN -0.118 nan 8.290 nan 0.000 0.457 118 P HA -0.079 nan 4.420 nan 0.000 0.260 118 P C -0.128 177.297 177.300 0.208 0.000 1.185 118 P CA 0.282 63.485 63.100 0.172 0.000 0.763 118 P CB 0.372 32.189 31.700 0.195 0.000 0.776 119 M N 2.755 122.414 119.600 0.098 0.000 2.514 119 M HA 0.126 4.607 4.480 0.001 0.000 0.258 119 M C 0.835 177.202 176.300 0.112 0.000 1.119 119 M CA 0.636 55.981 55.300 0.074 0.000 1.111 119 M CB -0.279 32.179 32.600 -0.236 0.000 1.390 119 M HN 0.269 nan 8.290 nan 0.000 0.475 120 I N 0.200 120.743 120.570 -0.045 0.000 2.371 120 I HA 0.250 4.420 4.170 0.001 0.000 0.282 120 I C -0.051 176.048 176.117 -0.029 0.000 1.031 120 I CA -0.353 60.870 61.300 -0.128 0.000 1.180 120 I CB 1.065 38.780 38.000 -0.475 0.000 1.336 120 I HN -0.052 nan 8.210 nan 0.000 0.467 121 S N 3.595 119.318 115.700 0.039 0.000 2.537 121 S HA 0.345 4.816 4.470 0.001 0.000 0.271 121 S C -0.617 173.985 174.600 0.003 0.000 1.148 121 S CA -0.656 57.563 58.200 0.032 0.000 0.868 121 S CB 1.712 64.978 63.200 0.111 0.000 1.115 121 S HN 0.533 nan 8.310 nan 0.000 0.461 122 D N 1.715 122.097 120.400 -0.030 0.000 2.363 122 D HA 0.152 4.793 4.640 0.001 0.000 0.214 122 D C 0.123 176.367 176.300 -0.094 0.000 1.093 122 D CA 0.057 54.026 54.000 -0.052 0.000 0.837 122 D CB 0.371 41.140 40.800 -0.051 0.000 0.948 122 D HN 0.441 nan 8.370 nan 0.000 0.507 123 K N 1.123 121.447 120.400 -0.127 0.000 2.350 123 K HA 0.120 4.440 4.320 0.001 0.000 0.279 123 K C 0.013 176.460 176.600 -0.255 0.000 1.027 123 K CA -0.150 55.968 56.287 -0.282 0.000 0.969 123 K CB 0.792 32.963 32.500 -0.548 0.000 0.954 123 K HN -0.195 nan 8.250 nan 0.000 0.474 124 S N 4.690 120.238 115.700 -0.254 0.000 2.430 124 S HA 0.247 4.717 4.470 0.001 0.000 0.289 124 S C -1.144 173.336 174.600 -0.200 0.000 1.143 124 S CA -0.790 57.319 58.200 -0.152 0.000 1.067 124 S CB 0.067 63.203 63.200 -0.106 0.000 0.964 124 S HN 0.492 nan 8.310 nan 0.000 0.485 125 W N 2.795 124.019 121.300 -0.127 0.000 2.448 125 W HA 0.463 5.124 4.660 0.000 0.000 0.339 125 W C 0.795 177.264 176.519 -0.082 0.000 1.124 125 W CA -0.551 56.726 57.345 -0.113 0.000 1.262 125 W CB 1.248 30.609 29.460 -0.165 0.000 1.251 125 W HN 0.396 nan 8.180 nan 0.000 0.597 126 T N 1.214 115.895 114.554 0.212 0.000 2.929 126 T HA 0.404 4.755 4.350 0.001 0.000 0.284 126 T C 1.091 175.885 174.700 0.157 0.000 1.014 126 T CA -0.002 62.186 62.100 0.147 0.000 1.051 126 T CB 1.516 70.450 68.868 0.110 0.000 1.028 126 T HN 0.538 nan 8.240 nan 0.000 0.485 127 A N 1.985 124.891 122.820 0.143 0.000 1.883 127 A HA -0.147 4.173 4.320 0.001 0.000 0.217 127 A C 2.136 179.780 177.584 0.100 0.000 1.186 127 A CA 1.933 54.042 52.037 0.120 0.000 0.624 127 A CB -0.744 18.365 19.000 0.181 0.000 0.822 127 A HN 0.728 nan 8.150 nan 0.000 0.444 128 Q N -0.107 119.770 119.800 0.127 0.000 2.119 128 Q HA -0.136 4.205 4.340 0.001 0.000 0.201 128 Q C 1.844 177.932 176.000 0.146 0.000 0.972 128 Q CA 2.041 57.917 55.803 0.123 0.000 0.847 128 Q CB -0.347 28.464 28.738 0.121 0.000 0.903 128 Q HN 0.758 nan 8.270 nan 0.000 0.433 129 E N -0.279 120.028 120.200 0.179 0.000 2.058 129 E HA -0.197 4.153 4.350 0.001 0.000 0.194 129 E C 1.954 178.756 176.600 0.336 0.000 0.997 129 E CA 1.480 58.043 56.400 0.272 0.000 0.801 129 E CB -0.218 29.670 29.700 0.313 0.000 0.746 129 E HN 0.439 nan 8.360 nan 0.000 0.450 130 I N 0.518 121.192 120.570 0.173 0.000 2.208 130 I HA -0.275 3.895 4.170 0.001 0.000 0.245 130 I C 2.352 178.492 176.117 0.039 0.000 1.097 130 I CA 0.802 62.029 61.300 -0.121 0.000 1.363 130 I CB -0.234 37.455 38.000 -0.519 0.000 1.051 130 I HN 0.004 nan 8.210 nan 0.000 0.413 131 V N 0.704 120.677 119.914 0.097 0.000 2.295 131 V HA -0.288 3.832 4.120 0.001 0.000 0.246 131 V C 2.084 178.372 176.094 0.324 0.000 1.049 131 V CA 2.028 64.443 62.300 0.192 0.000 1.024 131 V CB -0.669 31.213 31.823 0.099 0.000 0.648 131 V HN 0.390 nan 8.190 nan 0.000 0.447 132 D N -0.490 120.065 120.400 0.259 0.000 2.117 132 D HA -0.192 4.448 4.640 0.001 0.000 0.197 132 D C 1.890 178.389 176.300 0.331 0.000 0.987 132 D CA 1.326 55.480 54.000 0.257 0.000 0.829 132 D CB -0.377 40.541 40.800 0.196 0.000 0.961 132 D HN 0.451 nan 8.370 nan 0.000 0.460 133 F N 1.670 121.773 119.950 0.256 0.000 2.126 133 F HA -0.243 4.284 4.527 0.001 0.000 0.299 133 F C 2.424 178.418 175.800 0.323 0.000 1.096 133 F CA 1.384 59.585 58.000 0.334 0.000 1.255 133 F CB 0.005 39.191 39.000 0.310 0.000 0.997 133 F HN -0.149 nan 8.300 nan 0.000 0.479 134 S N 0.041 116.039 115.700 0.496 0.000 2.368 134 S HA -0.191 4.280 4.470 0.001 0.000 0.225 134 S C 1.768 176.402 174.600 0.057 0.000 1.030 134 S CA 1.535 59.929 58.200 0.324 0.000 0.999 134 S CB -0.752 62.618 63.200 0.284 0.000 0.844 134 S HN 0.376 nan 8.310 nan 0.000 0.459 135 F N 1.307 121.310 119.950 0.087 0.000 2.367 135 F HA 0.146 4.673 4.527 0.000 0.000 0.298 135 F C 2.476 178.240 175.800 -0.061 0.000 1.094 135 F CA 0.491 58.501 58.000 0.016 0.000 1.409 135 F CB -0.111 38.898 39.000 0.015 0.000 1.064 135 F HN 0.038 nan 8.300 nan 0.000 0.528 136 R N -0.655 119.856 120.500 0.018 0.000 2.075 136 R HA -0.112 4.229 4.340 0.001 0.000 0.232 136 R C 1.596 177.605 176.300 -0.484 0.000 1.126 136 R CA 1.544 57.474 56.100 -0.282 0.000 0.963 136 R CB -0.146 29.891 30.300 -0.439 0.000 0.858 136 R HN 0.308 nan 8.270 nan 0.000 0.435 137 H N -2.042 116.915 119.070 -0.188 0.000 3.058 137 H HA 0.251 4.807 4.556 0.001 0.000 0.258 137 H C 0.632 175.906 175.328 -0.089 0.000 1.015 137 H CA 0.532 56.465 56.048 -0.192 0.000 1.210 137 H CB 0.858 30.389 29.762 -0.385 0.000 1.481 137 H HN 0.231 nan 8.280 nan 0.000 0.492 138 G N 0.810 109.619 108.800 0.016 0.000 2.531 138 G HA2 0.450 4.410 3.960 0.001 0.000 0.313 138 G HA3 0.450 4.410 3.960 0.001 0.000 0.313 138 G C -0.743 174.105 174.900 -0.086 0.000 1.238 138 G CA -0.302 44.785 45.100 -0.022 0.000 0.994 138 G HN 0.001 nan 8.290 nan 0.000 0.493 139 V N 0.340 120.194 119.914 -0.100 0.000 2.409 139 V HA 0.345 4.465 4.120 0.001 0.000 0.291 139 V C -0.014 175.988 176.094 -0.155 0.000 1.020 139 V CA -0.587 61.650 62.300 -0.106 0.000 0.848 139 V CB 1.251 33.029 31.823 -0.075 0.000 0.990 139 V HN 0.802 nan 8.190 nan 0.000 0.430 140 Q N 4.680 124.386 119.800 -0.156 0.000 2.267 140 Q HA 0.456 4.796 4.340 0.001 0.000 0.255 140 Q C -0.446 175.477 176.000 -0.128 0.000 0.923 140 Q CA -0.329 55.378 55.803 -0.160 0.000 0.925 140 Q CB 1.100 29.771 28.738 -0.111 0.000 1.195 140 Q HN 0.691 nan 8.270 nan 0.000 0.417 141 K N 1.932 122.221 120.400 -0.185 0.000 2.393 141 K HA 0.370 4.690 4.320 0.001 0.000 0.241 141 K C -0.698 175.835 176.600 -0.112 0.000 1.055 141 K CA -1.026 55.127 56.287 -0.225 0.000 0.951 141 K CB 0.748 32.918 32.500 -0.550 0.000 1.285 141 K HN 0.525 nan 8.250 nan 0.000 0.500 142 E N 2.136 122.309 120.200 -0.045 0.000 2.313 142 E HA 0.175 4.525 4.350 0.001 0.000 0.276 142 E C -2.402 174.291 176.600 0.154 0.000 1.031 142 E CA -2.187 54.258 56.400 0.075 0.000 0.857 142 E CB 0.372 30.142 29.700 0.116 0.000 1.040 142 E HN 0.207 nan 8.360 nan 0.000 0.408 143 P HA -0.141 nan 4.420 nan 0.000 0.261 143 P C -0.486 176.900 177.300 0.143 0.000 1.173 143 P CA 0.604 63.703 63.100 -0.001 0.000 0.760 143 P CB 0.050 31.733 31.700 -0.028 0.000 0.783 144 W N -0.172 121.195 121.300 0.112 0.000 2.560 144 W HA -0.274 4.386 4.660 0.000 0.000 0.279 144 W C 1.556 178.069 176.519 -0.010 0.000 1.090 144 W CA 0.934 58.294 57.345 0.025 0.000 0.535 144 W CB -3.050 26.432 29.460 0.037 0.000 2.121 144 W HN 0.674 nan 8.180 nan 0.000 1.314 145 H N -0.602 118.566 119.070 0.164 0.000 2.422 145 H HA 0.323 4.879 4.556 0.001 0.000 0.298 145 H C 1.487 176.876 175.328 0.102 0.000 1.098 145 H CA 1.679 57.793 56.048 0.111 0.000 1.315 145 H CB -0.265 29.532 29.762 0.058 0.000 1.382 145 H HN 0.363 nan 8.280 nan 0.000 0.523 146 G N -0.772 107.665 108.800 -0.606 0.000 2.359 146 G HA2 0.147 4.107 3.960 0.001 0.000 0.293 146 G HA3 0.147 4.107 3.960 0.001 0.000 0.293 146 G C -1.515 173.087 174.900 -0.497 0.000 1.300 146 G CA -0.443 44.442 45.100 -0.358 0.000 0.888 146 G HN 0.286 nan 8.290 nan 0.000 0.541 147 M N 1.205 120.706 119.600 -0.164 0.000 2.146 147 M HA 0.607 5.088 4.480 0.001 0.000 0.357 147 M C -0.408 175.921 176.300 0.047 0.000 1.261 147 M CA 0.020 55.294 55.300 -0.042 0.000 1.106 147 M CB 0.592 33.221 32.600 0.048 0.000 1.612 147 M HN 0.713 nan 8.290 nan 0.000 0.470 148 E N 4.970 125.245 120.200 0.126 0.000 2.294 148 E HA 0.154 4.504 4.350 0.001 0.000 0.272 148 E C -1.846 174.876 176.600 0.203 0.000 0.896 148 E CA -0.592 55.922 56.400 0.191 0.000 0.802 148 E CB 1.235 31.097 29.700 0.270 0.000 1.267 148 E HN 0.619 nan 8.360 nan 0.000 0.406 149 Y N 3.409 123.709 120.300 -0.000 0.000 2.916 149 Y HA -0.014 4.536 4.550 0.001 0.000 0.344 149 Y C -0.339 175.643 175.900 0.138 0.000 1.282 149 Y CA 1.215 59.284 58.100 -0.052 0.000 1.604 149 Y CB 0.614 38.986 38.460 -0.147 0.000 1.207 149 Y HN 0.354 nan 8.280 nan 0.000 0.561 150 S N 6.011 121.765 115.700 0.089 0.000 2.596 150 S HA 0.342 4.812 4.470 0.001 0.000 0.318 150 S C 0.355 174.945 174.600 -0.016 0.000 1.097 150 S CA -0.909 57.322 58.200 0.051 0.000 1.080 150 S CB 0.436 63.682 63.200 0.077 0.000 0.991 150 S HN 0.857 nan 8.310 nan 0.000 0.471 151 N N 3.119 121.786 118.700 -0.054 0.000 2.250 151 N HA -0.067 4.673 4.740 0.001 0.000 0.181 151 N C 1.404 177.074 175.510 0.267 0.000 1.017 151 N CA 1.312 54.382 53.050 0.034 0.000 0.866 151 N CB -0.410 37.903 38.487 -0.291 0.000 0.985 151 N HN 0.625 nan 8.380 nan 0.000 0.429 152 T N 0.586 115.285 114.554 0.242 0.000 2.720 152 T HA -0.105 4.245 4.350 0.001 0.000 0.268 152 T C 1.992 176.751 174.700 0.097 0.000 1.037 152 T CA 1.421 63.686 62.100 0.275 0.000 1.144 152 T CB -0.726 68.255 68.868 0.190 0.000 0.864 152 T HN 0.369 nan 8.240 nan 0.000 0.444 153 G N 0.100 108.911 108.800 0.018 0.000 2.505 153 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 153 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 153 G C 1.248 176.011 174.900 -0.228 0.000 1.145 153 G CA 0.826 45.842 45.100 -0.140 0.000 0.761 153 G HN 0.525 nan 8.290 nan 0.000 0.571 154 Y N 0.025 120.275 120.300 -0.083 0.000 2.314 154 Y HA 0.011 4.562 4.550 0.001 0.000 0.293 154 Y C 2.987 178.839 175.900 -0.080 0.000 1.129 154 Y CA 0.582 58.630 58.100 -0.087 0.000 1.201 154 Y CB -0.101 38.320 38.460 -0.065 0.000 0.999 154 Y HN 0.056 nan 8.280 nan 0.000 0.541 155 V N 0.112 120.091 119.914 0.108 0.000 2.295 155 V HA -0.316 3.805 4.120 0.001 0.000 0.246 155 V C 2.229 178.301 176.094 -0.037 0.000 1.049 155 V CA 1.750 64.071 62.300 0.036 0.000 1.024 155 V CB -0.765 31.088 31.823 0.050 0.000 0.648 155 V HN 0.384 nan 8.190 nan 0.000 0.447 156 L N 0.091 121.248 121.223 -0.109 0.000 2.042 156 L HA -0.190 4.150 4.340 0.001 0.000 0.210 156 L C 2.783 179.616 176.870 -0.061 0.000 1.076 156 L CA 1.572 56.291 54.840 -0.202 0.000 0.749 156 L CB -0.909 40.903 42.059 -0.413 0.000 0.893 156 L HN 0.370 nan 8.230 nan 0.000 0.432 157 A N 0.566 123.289 122.820 -0.163 0.000 1.892 157 A HA -0.222 4.098 4.320 0.001 0.000 0.218 157 A C 2.411 179.894 177.584 -0.167 0.000 1.188 157 A CA 2.096 54.002 52.037 -0.219 0.000 0.631 157 A CB -1.447 17.349 19.000 -0.339 0.000 0.822 157 A HN 0.467 nan 8.150 nan 0.000 0.447 158 G N -1.041 107.665 108.800 -0.157 0.000 2.432 158 G HA2 -0.203 3.758 3.960 0.001 0.000 0.219 158 G HA3 -0.203 3.758 3.960 0.001 0.000 0.219 158 G C 1.615 176.559 174.900 0.073 0.000 1.135 158 G CA 1.215 46.214 45.100 -0.169 0.000 0.767 158 G HN 0.506 nan 8.290 nan 0.000 0.550 159 M N -0.117 119.547 119.600 0.108 0.000 2.200 159 M HA 0.129 4.609 4.480 0.001 0.000 0.265 159 M C 2.492 178.851 176.300 0.099 0.000 1.066 159 M CA 0.923 56.346 55.300 0.206 0.000 1.127 159 M CB -0.283 32.521 32.600 0.340 0.000 1.379 159 M HN 0.171 nan 8.290 nan 0.000 0.420 160 I N 0.478 120.994 120.570 -0.091 0.000 2.127 160 I HA -0.327 3.844 4.170 0.001 0.000 0.241 160 I C 2.293 178.265 176.117 -0.242 0.000 1.075 160 I CA 1.551 62.554 61.300 -0.495 0.000 1.334 160 I CB -0.481 36.968 38.000 -0.919 0.000 1.040 160 I HN 0.251 nan 8.210 nan 0.000 0.405 161 I N 0.892 121.354 120.570 -0.180 0.000 2.163 161 I HA -0.332 3.838 4.170 0.001 0.000 0.243 161 I C 2.842 178.912 176.117 -0.078 0.000 1.085 161 I CA 1.557 62.751 61.300 -0.177 0.000 1.347 161 I CB -0.555 37.367 38.000 -0.130 0.000 1.044 161 I HN 0.217 nan 8.210 nan 0.000 0.408 162 A N -0.202 122.647 122.820 0.048 0.000 1.908 162 A HA -0.293 4.027 4.320 0.001 0.000 0.218 162 A C 2.351 179.969 177.584 0.057 0.000 1.181 162 A CA 1.870 53.947 52.037 0.067 0.000 0.627 162 A CB -1.076 18.004 19.000 0.134 0.000 0.818 162 A HN 0.548 nan 8.150 nan 0.000 0.445 163 H N -0.514 118.565 119.070 0.017 0.000 2.299 163 H HA -0.084 4.473 4.556 0.001 0.000 0.302 163 H C 1.782 177.143 175.328 0.055 0.000 1.078 163 H CA 1.719 57.803 56.048 0.060 0.000 1.323 163 H CB 0.060 29.907 29.762 0.141 0.000 1.381 163 H HN 0.401 nan 8.280 nan 0.000 0.498 164 E N -0.099 120.122 120.200 0.035 0.000 2.150 164 E HA -0.095 4.256 4.350 0.001 0.000 0.193 164 E C 2.201 178.755 176.600 -0.076 0.000 0.985 164 E CA 1.554 57.954 56.400 -0.001 0.000 0.814 164 E CB -0.296 29.441 29.700 0.062 0.000 0.752 164 E HN 0.689 nan 8.360 nan 0.000 0.466 165 T N -3.525 110.975 114.554 -0.090 0.000 3.057 165 T HA 0.242 4.592 4.350 0.001 0.000 0.254 165 T C 1.590 176.253 174.700 -0.062 0.000 1.094 165 T CA 0.744 62.803 62.100 -0.067 0.000 1.088 165 T CB 0.275 69.103 68.868 -0.067 0.000 0.934 165 T HN 0.207 nan 8.240 nan 0.000 0.497 166 G N 1.388 110.135 108.800 -0.088 0.000 2.166 166 G HA2 -0.261 3.700 3.960 0.001 0.000 0.260 166 G HA3 -0.261 3.700 3.960 0.001 0.000 0.260 166 G C -0.077 174.792 174.900 -0.052 0.000 0.986 166 G CA 0.636 45.689 45.100 -0.077 0.000 0.683 166 G HN 0.719 nan 8.290 nan 0.000 0.527 167 K N -0.347 120.022 120.400 -0.052 0.000 2.480 167 K HA 0.530 4.850 4.320 0.001 0.000 0.258 167 K C -2.865 173.664 176.600 -0.119 0.000 0.990 167 K CA -2.378 53.867 56.287 -0.071 0.000 0.857 167 K CB 2.194 34.663 32.500 -0.052 0.000 1.384 167 K HN -0.114 nan 8.250 nan 0.000 0.446 168 P HA -0.086 nan 4.420 nan 0.000 0.267 168 P C -0.046 177.052 177.300 -0.335 0.000 1.200 168 P CA 0.158 62.946 63.100 -0.519 0.000 0.772 168 P CB 0.113 31.201 31.700 -1.020 0.000 0.855 169 Y N 1.003 121.235 120.300 -0.112 0.000 2.384 169 Y HA -0.223 4.328 4.550 0.000 0.000 0.289 169 Y C 1.944 177.878 175.900 0.056 0.000 1.152 169 Y CA 1.328 59.440 58.100 0.019 0.000 1.258 169 Y CB -2.046 36.459 38.460 0.074 0.000 0.979 169 Y HN 0.306 nan 8.280 nan 0.000 0.549 170 S N -0.052 115.557 115.700 -0.152 0.000 2.383 170 S HA -0.307 4.164 4.470 0.001 0.000 0.229 170 S C 1.653 176.248 174.600 -0.007 0.000 1.030 170 S CA 1.461 59.664 58.200 0.006 0.000 1.002 170 S CB -0.881 62.319 63.200 0.000 0.000 0.829 170 S HN 0.632 nan 8.310 nan 0.000 0.467 171 D N 0.879 121.258 120.400 -0.034 0.000 2.144 171 D HA -0.178 4.462 4.640 0.001 0.000 0.199 171 D C 1.885 178.182 176.300 -0.004 0.000 0.984 171 D CA 1.393 55.383 54.000 -0.017 0.000 0.834 171 D CB -0.302 40.487 40.800 -0.017 0.000 0.955 171 D HN 0.637 nan 8.370 nan 0.000 0.465 172 H N -0.828 118.207 119.070 -0.058 0.000 2.326 172 H HA -0.028 4.528 4.556 0.001 0.000 0.301 172 H C 1.792 177.046 175.328 -0.124 0.000 1.081 172 H CA 1.369 57.386 56.048 -0.052 0.000 1.334 172 H CB -0.319 29.445 29.762 0.003 0.000 1.385 172 H HN 0.103 nan 8.280 nan 0.000 0.504 173 L N 0.452 121.562 121.223 -0.189 0.000 2.046 173 L HA -0.089 4.252 4.340 0.001 0.000 0.208 173 L C 2.744 179.023 176.870 -0.985 0.000 1.077 173 L CA 1.836 56.361 54.840 -0.525 0.000 0.747 173 L CB -0.796 41.008 42.059 -0.426 0.000 0.896 173 L HN 0.267 nan 8.230 nan 0.000 0.432 174 R N -0.572 119.502 120.500 -0.710 0.000 2.062 174 R HA -0.147 4.193 4.340 0.001 0.000 0.231 174 R C 2.538 178.697 176.300 -0.236 0.000 1.136 174 R CA 1.667 57.489 56.100 -0.464 0.000 0.948 174 R CB -0.229 30.031 30.300 -0.068 0.000 0.845 174 R HN 0.493 nan 8.270 nan 0.000 0.430 175 S N -0.132 115.463 115.700 -0.174 0.000 2.402 175 S HA -0.084 4.386 4.470 0.001 0.000 0.229 175 S C 1.758 176.288 174.600 -0.117 0.000 1.021 175 S CA 0.827 58.966 58.200 -0.101 0.000 0.974 175 S CB -0.093 63.069 63.200 -0.063 0.000 0.800 175 S HN 0.425 nan 8.310 nan 0.000 0.484 176 R N -0.466 119.912 120.500 -0.204 0.000 2.404 176 R HA 0.506 4.846 4.340 0.001 0.000 0.237 176 R C 1.133 177.358 176.300 -0.124 0.000 0.907 176 R CA 0.304 56.298 56.100 -0.177 0.000 1.063 176 R CB 0.214 30.347 30.300 -0.278 0.000 1.134 176 R HN 0.450 nan 8.270 nan 0.000 0.529 177 I N -1.366 119.107 120.570 -0.163 0.000 3.674 177 I HA 0.068 4.238 4.170 0.001 0.000 0.248 177 I C 1.033 177.237 176.117 0.145 0.000 1.134 177 I CA 0.082 61.389 61.300 0.012 0.000 1.519 177 I CB -0.135 37.900 38.000 0.058 0.000 1.598 177 I HN -0.146 nan 8.210 nan 0.000 0.442 178 F N 2.126 122.095 119.950 0.032 0.000 2.102 178 F HA -0.083 4.444 4.527 0.001 0.000 0.298 178 F C 2.721 178.510 175.800 -0.018 0.000 1.105 178 F CA 1.179 59.171 58.000 -0.013 0.000 1.239 178 F CB -1.580 37.354 39.000 -0.110 0.000 0.991 178 F HN 0.033 nan 8.300 nan 0.000 0.474 179 A N 0.973 123.882 122.820 0.148 0.000 1.858 179 A HA -0.106 4.214 4.320 0.001 0.000 0.216 179 A C 0.171 177.791 177.584 0.061 0.000 1.190 179 A CA 1.624 53.706 52.037 0.076 0.000 0.617 179 A CB -2.239 16.783 19.000 0.036 0.000 0.827 179 A HN 0.290 nan 8.150 nan 0.000 0.443 180 P HA -0.105 nan 4.420 nan 0.000 0.219 180 P C 1.111 178.450 177.300 0.066 0.000 1.146 180 P CA 0.917 64.046 63.100 0.048 0.000 0.808 180 P CB -0.156 31.567 31.700 0.038 0.000 0.779 181 L N -1.897 119.386 121.223 0.100 0.000 2.567 181 L HA 0.256 4.596 4.340 0.001 0.000 0.225 181 L C 1.375 178.296 176.870 0.086 0.000 1.119 181 L CA 0.565 55.471 54.840 0.110 0.000 0.871 181 L CB -0.929 41.237 42.059 0.177 0.000 1.036 181 L HN 0.074 nan 8.230 nan 0.000 0.459 182 G N 1.097 109.938 108.800 0.068 0.000 2.221 182 G HA2 -0.319 3.642 3.960 0.001 0.000 0.265 182 G HA3 -0.319 3.642 3.960 0.001 0.000 0.265 182 G C 0.215 175.124 174.900 0.015 0.000 1.041 182 G CA -0.044 45.078 45.100 0.036 0.000 0.807 182 G HN 0.316 nan 8.290 nan 0.000 0.502 183 M N -0.061 119.553 119.600 0.023 0.000 2.557 183 M HA 0.271 4.751 4.480 0.001 0.000 0.328 183 M C 1.335 177.514 176.300 -0.203 0.000 1.423 183 M CA 0.323 55.578 55.300 -0.074 0.000 1.418 183 M CB 0.443 33.001 32.600 -0.070 0.000 1.381 183 M HN 0.153 nan 8.290 nan 0.000 0.467 184 K N 0.562 120.845 120.400 -0.195 0.000 2.367 184 K HA 0.066 4.386 4.320 0.001 0.000 0.194 184 K C -0.103 176.252 176.600 -0.409 0.000 1.027 184 K CA 0.375 56.519 56.287 -0.240 0.000 1.075 184 K CB 0.609 33.051 32.500 -0.097 0.000 0.845 184 K HN 0.547 nan 8.250 nan 0.000 0.529 185 D N 1.253 121.404 120.400 -0.415 0.000 2.772 185 D HA 0.083 4.723 4.640 0.001 0.000 0.272 185 D C -0.642 175.309 176.300 -0.581 0.000 1.314 185 D CA 0.227 53.990 54.000 -0.394 0.000 0.835 185 D CB 1.134 41.912 40.800 -0.037 0.000 1.080 185 D HN -0.112 nan 8.370 nan 0.000 0.482 186 T N 0.393 114.289 114.554 -1.096 0.000 2.848 186 T HA 0.388 4.739 4.350 0.001 0.000 0.285 186 T C -0.660 173.340 174.700 -1.167 0.000 0.995 186 T CA -0.595 60.928 62.100 -0.963 0.000 0.970 186 T CB 1.894 70.051 68.868 -1.186 0.000 0.976 186 T HN 0.022 nan 8.240 nan 0.000 0.441 187 W N 1.285 122.371 121.300 -0.357 0.000 3.031 187 W HA 0.582 5.242 4.660 0.000 0.000 0.337 187 W C -1.091 175.380 176.519 -0.080 0.000 1.187 187 W CA -0.933 56.334 57.345 -0.130 0.000 1.166 187 W CB 1.780 31.245 29.460 0.008 0.000 1.437 187 W HN 0.230 nan 8.180 nan 0.000 0.551 188 V N 1.788 121.902 119.914 0.333 0.000 2.311 188 V HA 0.215 4.335 4.120 0.001 0.000 0.275 188 V C 1.038 177.265 176.094 0.222 0.000 1.022 188 V CA 0.083 62.544 62.300 0.268 0.000 0.830 188 V CB 0.672 32.692 31.823 0.328 0.000 1.012 188 V HN 0.905 nan 8.190 nan 0.000 0.452 189 G N 3.192 112.081 108.800 0.148 0.000 2.443 189 G HA2 -0.162 3.799 3.960 0.001 0.000 0.219 189 G HA3 -0.162 3.799 3.960 0.001 0.000 0.219 189 G C 1.339 176.278 174.900 0.065 0.000 1.131 189 G CA 1.305 46.481 45.100 0.125 0.000 0.775 189 G HN 0.629 nan 8.290 nan 0.000 0.547 190 T N -0.146 114.393 114.554 -0.025 0.000 2.857 190 T HA -0.023 4.327 4.350 0.001 0.000 0.266 190 T C 1.758 176.243 174.700 -0.358 0.000 1.048 190 T CA 1.029 62.981 62.100 -0.246 0.000 1.139 190 T CB -0.159 68.459 68.868 -0.417 0.000 0.874 190 T HN 0.406 nan 8.240 nan 0.000 0.455 191 H N 0.100 119.169 119.070 -0.001 0.000 2.986 191 H HA 0.411 4.967 4.556 0.000 0.000 0.267 191 H C 0.232 175.584 175.328 0.041 0.000 1.072 191 H CA 0.053 56.084 56.048 -0.028 0.000 1.202 191 H CB 1.066 30.744 29.762 -0.140 0.000 1.535 191 H HN 0.430 nan 8.280 nan 0.000 0.522 192 E N 1.203 121.520 120.200 0.195 0.000 2.317 192 E HA 0.267 4.617 4.350 0.001 0.000 0.270 192 E C -0.403 176.293 176.600 0.160 0.000 0.885 192 E CA -0.748 55.785 56.400 0.220 0.000 0.760 192 E CB 2.395 32.318 29.700 0.372 0.000 1.227 192 E HN 0.068 nan 8.360 nan 0.000 0.434 193 T N -0.267 114.325 114.554 0.062 0.000 2.856 193 T HA 0.548 4.898 4.350 0.001 0.000 0.292 193 T C -0.272 174.247 174.700 -0.303 0.000 0.980 193 T CA -0.707 61.333 62.100 -0.099 0.000 1.091 193 T CB -0.023 68.761 68.868 -0.139 0.000 0.936 193 T HN 0.390 nan 8.240 nan 0.000 0.503 194 F N 0.981 120.593 119.950 -0.563 0.000 2.556 194 F HA 0.783 5.310 4.527 0.000 0.000 0.327 194 F C -2.769 172.616 175.800 -0.691 0.000 1.059 194 F CA -3.379 53.961 58.000 -1.101 0.000 0.953 194 F CB 0.610 39.024 39.000 -0.977 0.000 1.227 194 F HN 0.309 nan 8.300 nan 0.000 0.478 195 P HA 0.172 nan 4.420 nan 0.000 0.277 195 P C 0.681 177.790 177.300 -0.319 0.000 1.354 195 P CA 0.042 62.887 63.100 -0.426 0.000 0.891 195 P CB 1.110 32.658 31.700 -0.252 0.000 1.058 196 I N 3.615 123.888 120.570 -0.496 0.000 2.454 196 I HA -0.247 3.923 4.170 0.001 0.000 0.254 196 I C 1.977 178.041 176.117 -0.087 0.000 1.156 196 I CA 1.482 62.599 61.300 -0.304 0.000 1.433 196 I CB -0.248 37.529 38.000 -0.373 0.000 1.082 196 I HN 0.296 nan 8.210 nan 0.000 0.432 197 E N 1.054 121.194 120.200 -0.100 0.000 2.265 197 E HA -0.253 4.097 4.350 0.001 0.000 0.196 197 E C 1.858 178.460 176.600 0.004 0.000 0.996 197 E CA 1.172 57.549 56.400 -0.039 0.000 0.832 197 E CB -0.546 29.125 29.700 -0.049 0.000 0.756 197 E HN 0.574 nan 8.360 nan 0.000 0.491 198 R N 0.649 121.152 120.500 0.005 0.000 2.300 198 R HA 0.149 4.489 4.340 0.001 0.000 0.199 198 R C 0.710 177.065 176.300 0.091 0.000 0.920 198 R CA -0.037 56.076 56.100 0.021 0.000 1.046 198 R CB 0.207 30.517 30.300 0.017 0.000 0.984 198 R HN 0.229 nan 8.270 nan 0.000 0.493 199 E N 1.472 121.741 120.200 0.115 0.000 2.316 199 E HA 0.234 4.584 4.350 0.001 0.000 0.275 199 E C -0.752 175.875 176.600 0.044 0.000 1.029 199 E CA -0.397 56.064 56.400 0.101 0.000 0.871 199 E CB 0.941 30.760 29.700 0.199 0.000 1.022 199 E HN 0.142 nan 8.360 nan 0.000 0.418 200 A N 5.306 128.030 122.820 -0.160 0.000 2.511 200 A HA 0.110 4.431 4.320 0.001 0.000 0.242 200 A C 0.064 177.602 177.584 -0.078 0.000 1.069 200 A CA -0.325 51.528 52.037 -0.307 0.000 0.763 200 A CB 0.322 18.814 19.000 -0.848 0.000 1.001 200 A HN 0.588 nan 8.150 nan 0.000 0.498 201 R N 1.182 121.628 120.500 -0.090 0.000 2.694 201 R HA 0.359 4.699 4.340 0.001 0.000 0.268 201 R C 0.560 176.693 176.300 -0.279 0.000 1.061 201 R CA 0.447 56.409 56.100 -0.231 0.000 1.133 201 R CB 0.100 30.208 30.300 -0.321 0.000 1.020 201 R HN 0.808 nan 8.270 nan 0.000 0.475 202 G N 1.037 109.508 108.800 -0.548 0.000 2.420 202 G HA2 0.568 4.528 3.960 0.001 0.000 0.331 202 G HA3 0.568 4.528 3.960 0.001 0.000 0.331 202 G C -1.457 173.002 174.900 -0.734 0.000 1.168 202 G CA -0.377 44.450 45.100 -0.455 0.000 0.936 202 G HN 0.377 nan 8.290 nan 0.000 0.479 203 Y N 1.110 121.380 120.300 -0.050 0.000 2.361 203 Y HA 0.463 5.014 4.550 0.001 0.000 0.337 203 Y C 0.207 176.061 175.900 -0.077 0.000 0.965 203 Y CA -1.107 56.923 58.100 -0.115 0.000 1.091 203 Y CB 2.328 40.700 38.460 -0.147 0.000 1.182 203 Y HN 0.177 nan 8.280 nan 0.000 0.450 204 M N 3.923 123.541 119.600 0.030 0.000 2.157 204 M HA 0.261 4.741 4.480 0.001 0.000 0.354 204 M C -0.491 175.958 176.300 0.248 0.000 1.170 204 M CA -0.226 55.168 55.300 0.156 0.000 1.060 204 M CB 0.620 33.266 32.600 0.076 0.000 1.615 204 M HN 0.672 nan 8.290 nan 0.000 0.460 205 H N 1.538 120.672 119.070 0.106 0.000 2.517 205 H HA 0.398 4.955 4.556 0.000 0.000 0.317 205 H C 0.048 175.490 175.328 0.189 0.000 1.080 205 H CA -0.505 55.505 56.048 -0.063 0.000 1.301 205 H CB 1.176 30.458 29.762 -0.799 0.000 1.425 205 H HN 0.817 nan 8.280 nan 0.000 0.471 206 A N 3.056 126.046 122.820 0.282 0.000 2.566 206 A HA 0.230 4.550 4.320 0.001 0.000 0.245 206 A C 0.770 178.529 177.584 0.291 0.000 1.056 206 A CA 0.112 52.363 52.037 0.357 0.000 0.757 206 A CB -0.262 18.770 19.000 0.053 0.000 0.979 206 A HN 0.854 nan 8.150 nan 0.000 0.508 207 A N 2.197 125.205 122.820 0.313 0.000 2.566 207 A HA 0.433 4.753 4.320 0.001 0.000 0.245 207 A C 1.158 178.855 177.584 0.187 0.000 1.056 207 A CA 0.866 53.042 52.037 0.231 0.000 0.757 207 A CB -0.179 18.934 19.000 0.189 0.000 0.979 207 A HN 2.179 nan 8.150 nan 0.000 0.508 208 A N 1.839 124.771 122.820 0.186 0.000 1.803 208 A HA 0.307 4.627 4.320 0.001 0.000 0.202 208 A C 1.190 178.850 177.584 0.126 0.000 1.802 208 A CA 0.776 52.899 52.037 0.143 0.000 1.096 208 A CB -0.053 19.034 19.000 0.146 0.000 1.046 208 A HN 0.740 nan 8.150 nan 0.000 0.568 209 D N 0.254 120.745 120.400 0.152 0.000 2.328 209 D HA 0.056 4.696 4.640 0.001 0.000 0.221 209 D C -0.216 176.163 176.300 0.132 0.000 1.072 209 D CA 0.269 54.346 54.000 0.127 0.000 0.850 209 D CB -0.132 40.742 40.800 0.123 0.000 0.922 209 D HN 0.153 nan 8.370 nan 0.000 0.516 210 D N 0.948 121.439 120.400 0.153 0.000 2.845 210 D HA 0.041 4.682 4.640 0.001 0.000 0.235 210 D C 1.039 177.387 176.300 0.080 0.000 1.158 210 D CA -0.077 53.998 54.000 0.125 0.000 0.990 210 D CB 0.392 41.294 40.800 0.170 0.000 1.094 210 D HN 0.012 nan 8.370 nan 0.000 0.486 211 E N 1.161 121.396 120.200 0.059 0.000 2.015 211 E HA -0.104 4.246 4.350 0.001 0.000 0.191 211 E C -0.169 176.444 176.600 0.022 0.000 0.991 211 E CA 1.020 57.447 56.400 0.044 0.000 0.802 211 E CB 0.190 29.915 29.700 0.041 0.000 0.759 211 E HN 0.440 nan 8.360 nan 0.000 0.447 212 N N 0.592 119.291 118.700 -0.001 0.000 2.448 212 N HA 0.316 5.056 4.740 0.001 0.000 0.279 212 N C -2.796 172.656 175.510 -0.096 0.000 1.025 212 N CA -1.907 51.125 53.050 -0.030 0.000 0.898 212 N CB 1.591 40.067 38.487 -0.019 0.000 1.303 212 N HN -0.136 nan 8.380 nan 0.000 0.495 213 P HA 0.059 nan 4.420 nan 0.000 0.275 213 P C -0.158 176.961 177.300 -0.301 0.000 1.228 213 P CA -0.249 62.743 63.100 -0.180 0.000 0.786 213 P CB 1.196 32.858 31.700 -0.064 0.000 0.927 214 Q N 0.918 120.354 119.800 -0.607 0.000 2.389 214 Q HA 0.050 4.390 4.340 0.001 0.000 0.204 214 Q C 0.029 175.726 176.000 -0.505 0.000 0.944 214 Q CA 0.454 55.811 55.803 -0.744 0.000 0.908 214 Q CB 0.055 27.922 28.738 -1.452 0.000 1.002 214 Q HN 0.407 nan 8.270 nan 0.000 0.493 215 W N 0.722 121.925 121.300 -0.162 0.000 3.207 215 W HA 0.292 4.952 4.660 0.000 0.000 0.340 215 W C 0.470 176.927 176.519 -0.103 0.000 1.336 215 W CA -0.805 56.469 57.345 -0.118 0.000 1.097 215 W CB 0.563 29.956 29.460 -0.112 0.000 1.671 215 W HN 0.009 nan 8.180 nan 0.000 0.636 216 D N -0.130 120.364 120.400 0.157 0.000 2.240 216 D HA -0.075 4.566 4.640 0.001 0.000 0.206 216 D C 1.854 178.107 176.300 -0.079 0.000 0.963 216 D CA 1.197 55.205 54.000 0.014 0.000 0.863 216 D CB -0.519 40.272 40.800 -0.014 0.000 0.973 216 D HN 0.206 nan 8.370 nan 0.000 0.501 217 V N -0.816 119.009 119.914 -0.147 0.000 1.699 217 V HA -0.313 3.807 4.120 0.001 0.000 0.044 217 V C 0.508 176.334 176.094 -0.446 0.000 0.455 217 V CA 1.033 63.091 62.300 -0.403 0.000 1.470 217 V CB -2.580 29.038 31.823 -0.342 0.000 1.745 217 V HN 0.042 nan 8.190 nan 0.000 0.772 218 S N 0.823 116.358 115.700 -0.276 0.000 2.562 218 S HA 0.509 4.979 4.470 0.001 0.000 0.281 218 S C 1.336 175.778 174.600 -0.265 0.000 1.333 218 S CA 0.704 58.776 58.200 -0.214 0.000 1.052 218 S CB 0.782 63.911 63.200 -0.119 0.000 0.884 218 S HN 2.393 nan 8.310 nan 0.000 0.506 219 G N 1.507 110.187 108.800 -0.202 0.000 2.160 219 G HA2 -0.200 3.760 3.960 0.001 0.000 0.244 219 G HA3 -0.200 3.760 3.960 0.001 0.000 0.244 219 G C 0.599 175.347 174.900 -0.254 0.000 1.022 219 G CA 0.248 45.241 45.100 -0.179 0.000 0.741 219 G HN 1.004 nan 8.290 nan 0.000 0.508 220 A N -0.863 121.763 122.820 -0.324 0.000 2.169 220 A HA 0.606 4.926 4.320 0.001 0.000 0.212 220 A C 2.488 180.168 177.584 0.160 0.000 1.153 220 A CA 1.891 53.731 52.037 -0.329 0.000 0.756 220 A CB -0.270 18.263 19.000 -0.778 0.000 0.813 220 A HN 2.655 nan 8.150 nan 0.000 0.471 221 G N -0.822 108.079 108.800 0.168 0.000 2.496 221 G HA2 -0.106 3.854 3.960 0.001 0.000 0.243 221 G HA3 -0.106 3.854 3.960 0.001 0.000 0.243 221 G C -0.914 174.249 174.900 0.439 0.000 1.176 221 G CA 0.086 45.338 45.100 0.253 0.000 0.940 221 G HN 0.403 nan 8.290 nan 0.000 0.573 222 D N 1.006 121.611 120.400 0.341 0.000 2.531 222 D HA 0.654 5.294 4.640 0.001 0.000 0.244 222 D C -2.297 173.822 176.300 -0.301 0.000 1.090 222 D CA -0.781 53.331 54.000 0.187 0.000 0.989 222 D CB 1.314 42.147 40.800 0.056 0.000 1.433 222 D HN 0.256 nan 8.370 nan 0.000 0.492 223 P HA -0.076 nan 4.420 nan 0.000 0.271 223 P C -0.358 176.728 177.300 -0.357 0.000 1.197 223 P CA -0.031 62.645 63.100 -0.706 0.000 0.777 223 P CB 0.287 31.682 31.700 -0.508 0.000 0.827 224 V N -0.809 118.927 119.914 -0.296 0.000 2.425 224 V HA 0.115 4.235 4.120 0.001 0.000 0.276 224 V C 0.525 176.571 176.094 -0.081 0.000 1.017 224 V CA -0.094 62.090 62.300 -0.193 0.000 1.062 224 V CB -0.927 30.734 31.823 -0.270 0.000 0.997 224 V HN 0.782 nan 8.190 nan 0.000 0.476 225 D N 3.651 123.982 120.400 -0.115 0.000 2.956 225 D HA -0.099 4.541 4.640 0.001 0.000 0.240 225 D C 0.478 176.716 176.300 -0.103 0.000 1.141 225 D CA 1.136 55.097 54.000 -0.064 0.000 0.820 225 D CB -0.998 39.815 40.800 0.021 0.000 0.988 225 D HN 1.220 nan 8.370 nan 0.000 0.417 226 G N 1.227 109.943 108.800 -0.141 0.000 3.628 226 G HA2 0.538 4.498 3.960 0.001 0.000 0.328 226 G HA3 0.538 4.498 3.960 0.001 0.000 0.328 226 G C 0.102 174.802 174.900 -0.333 0.000 1.200 226 G CA 0.039 45.007 45.100 -0.220 0.000 1.364 226 G HN 0.962 nan 8.290 nan 0.000 0.503 227 V N -2.177 117.506 119.914 -0.384 0.000 3.007 227 V HA 0.743 4.863 4.120 0.001 0.000 0.311 227 V C -1.027 174.910 176.094 -0.261 0.000 1.120 227 V CA -1.866 60.238 62.300 -0.326 0.000 0.980 227 V CB 2.049 33.651 31.823 -0.368 0.000 1.033 227 V HN 0.444 nan 8.190 nan 0.000 0.429 228 W N 0.884 122.223 121.300 0.065 0.000 2.551 228 W HA 0.418 5.079 4.660 0.001 0.000 0.330 228 W C -0.450 176.073 176.519 0.006 0.000 1.063 228 W CA -0.279 57.135 57.345 0.115 0.000 1.222 228 W CB 1.924 31.535 29.460 0.252 0.000 1.349 228 W HN 0.755 nan 8.180 nan 0.000 0.536 229 D N 1.556 122.098 120.400 0.236 0.000 2.374 229 D HA 0.017 4.657 4.640 0.001 0.000 0.240 229 D C 1.053 177.096 176.300 -0.428 0.000 1.229 229 D CA 0.276 54.212 54.000 -0.107 0.000 0.895 229 D CB 0.783 41.596 40.800 0.022 0.000 1.046 229 D HN 0.274 nan 8.370 nan 0.000 0.498 230 S N 1.391 116.569 115.700 -0.871 0.000 2.577 230 S HA -0.030 4.440 4.470 0.001 0.000 0.219 230 S C 1.518 175.620 174.600 -0.830 0.000 0.962 230 S CA -0.227 56.998 58.200 -1.625 0.000 0.921 230 S CB 0.080 62.146 63.200 -1.890 0.000 0.789 230 S HN 0.365 nan 8.310 nan 0.000 0.497 231 T N 2.636 116.864 114.554 -0.543 0.000 2.699 231 T HA -0.128 4.223 4.350 0.001 0.000 0.268 231 T C 0.872 175.464 174.700 -0.178 0.000 1.036 231 T CA 1.755 63.632 62.100 -0.373 0.000 1.147 231 T CB -0.293 68.406 68.868 -0.281 0.000 0.862 231 T HN 0.643 nan 8.240 nan 0.000 0.446 232 E N -0.899 119.251 120.200 -0.084 0.000 2.869 232 E HA 0.130 4.480 4.350 0.001 0.000 0.207 232 E C 0.410 177.117 176.600 0.179 0.000 0.986 232 E CA -0.449 55.974 56.400 0.038 0.000 1.131 232 E CB 0.227 29.941 29.700 0.024 0.000 1.098 232 E HN 0.393 nan 8.360 nan 0.000 0.459 233 W N 0.170 121.451 121.300 -0.032 0.000 2.407 233 W HA 0.034 4.695 4.660 0.001 0.000 0.305 233 W C 0.664 177.211 176.519 0.045 0.000 1.196 233 W CA 0.299 57.634 57.345 -0.017 0.000 1.311 233 W CB -0.159 29.264 29.460 -0.063 0.000 1.135 233 W HN 0.071 nan 8.180 nan 0.000 0.514 234 F N 3.160 123.188 119.950 0.131 0.000 2.427 234 F HA 0.452 4.979 4.527 0.000 0.000 0.346 234 F C -2.058 173.770 175.800 0.046 0.000 1.120 234 F CA -3.685 54.340 58.000 0.042 0.000 1.033 234 F CB 0.851 39.818 39.000 -0.056 0.000 1.126 234 F HN -0.352 nan 8.300 nan 0.000 0.462 235 P HA 0.114 nan 4.420 nan 0.000 0.276 235 P C 0.806 177.718 177.300 -0.645 0.000 1.243 235 P CA 0.011 62.853 63.100 -0.429 0.000 0.768 235 P CB 1.311 32.866 31.700 -0.242 0.000 0.856 236 L N 2.491 123.574 121.223 -0.234 0.000 2.083 236 L HA -0.199 4.141 4.340 0.001 0.000 0.209 236 L C 2.610 179.421 176.870 -0.098 0.000 1.083 236 L CA 2.118 56.900 54.840 -0.096 0.000 0.752 236 L CB -0.853 41.225 42.059 0.032 0.000 0.899 236 L HN 0.456 nan 8.230 nan 0.000 0.433 237 S N -0.040 115.599 115.700 -0.101 0.000 2.440 237 S HA -0.150 4.320 4.470 0.001 0.000 0.238 237 S C 1.977 176.521 174.600 -0.093 0.000 1.010 237 S CA 1.078 59.245 58.200 -0.055 0.000 0.972 237 S CB -0.870 62.327 63.200 -0.006 0.000 0.774 237 S HN 0.466 nan 8.310 nan 0.000 0.501 238 G N 0.512 109.129 108.800 -0.304 0.000 2.509 238 G HA2 0.252 4.213 3.960 0.001 0.000 0.218 238 G HA3 0.252 4.213 3.960 0.001 0.000 0.218 238 G C 1.416 176.211 174.900 -0.175 0.000 1.124 238 G CA 0.555 45.266 45.100 -0.648 0.000 0.776 238 G HN 0.787 nan 8.290 nan 0.000 0.547 239 A N -0.493 122.387 122.820 0.101 0.000 2.014 239 A HA 0.227 4.548 4.320 0.001 0.000 0.210 239 A C 1.360 179.051 177.584 0.178 0.000 1.188 239 A CA 1.073 53.303 52.037 0.321 0.000 0.731 239 A CB -0.142 19.102 19.000 0.407 0.000 0.858 239 A HN 0.390 nan 8.150 nan 0.000 0.464 240 N N -1.359 117.402 118.700 0.103 0.000 1.202 240 N HA -0.324 4.417 4.740 0.001 0.000 0.108 240 N C 1.153 176.771 175.510 0.181 0.000 0.816 240 N CA 1.439 54.581 53.050 0.153 0.000 0.848 240 N CB -1.354 37.176 38.487 0.071 0.000 0.972 240 N HN 0.701 nan 8.380 nan 0.000 0.645 241 A N -0.093 122.756 122.820 0.048 0.000 2.225 241 A HA 0.252 4.572 4.320 0.001 0.000 0.215 241 A C 2.179 179.778 177.584 0.024 0.000 1.164 241 A CA 2.413 54.336 52.037 -0.192 0.000 0.710 241 A CB -0.731 17.961 19.000 -0.514 0.000 0.780 241 A HN 0.848 nan 8.150 nan 0.000 0.473 242 A N -1.592 121.312 122.820 0.139 0.000 2.132 242 A HA 0.440 4.760 4.320 0.001 0.000 0.213 242 A C 1.437 179.085 177.584 0.106 0.000 1.154 242 A CA 1.184 53.313 52.037 0.154 0.000 0.753 242 A CB -0.119 19.068 19.000 0.312 0.000 0.826 242 A HN 1.268 nan 8.150 nan 0.000 0.469 243 G N 0.235 109.120 108.800 0.141 0.000 5.413 243 G HA2 0.203 4.163 3.960 0.001 0.000 0.206 243 G HA3 0.203 4.163 3.960 0.001 0.000 0.206 243 G C -0.090 174.897 174.900 0.145 0.000 0.794 243 G CA 0.543 45.724 45.100 0.134 0.000 0.751 243 G HN 0.343 nan 8.290 nan 0.000 0.334 244 D N -0.153 120.330 120.400 0.139 0.000 2.328 244 D HA 0.173 4.813 4.640 0.001 0.000 0.221 244 D C 1.005 177.344 176.300 0.066 0.000 1.072 244 D CA -0.329 53.743 54.000 0.121 0.000 0.850 244 D CB 0.070 40.957 40.800 0.146 0.000 0.922 244 D HN 0.331 nan 8.370 nan 0.000 0.516 245 M N 0.419 120.036 119.600 0.029 0.000 2.250 245 M HA 0.308 4.788 4.480 0.001 0.000 0.344 245 M C -0.628 175.609 176.300 -0.105 0.000 1.150 245 M CA -0.523 54.746 55.300 -0.053 0.000 1.147 245 M CB 2.293 34.791 32.600 -0.170 0.000 1.498 245 M HN -0.268 nan 8.290 nan 0.000 0.461 246 V N 1.639 121.464 119.914 -0.148 0.000 2.487 246 V HA 0.638 4.758 4.120 0.001 0.000 0.298 246 V C -0.405 175.648 176.094 -0.069 0.000 1.028 246 V CA -0.222 61.973 62.300 -0.175 0.000 0.860 246 V CB 1.805 33.311 31.823 -0.529 0.000 0.991 246 V HN 0.961 nan 8.190 nan 0.000 0.427 247 S N 2.497 118.185 115.700 -0.018 0.000 2.752 247 S HA 0.766 5.236 4.470 0.001 0.000 0.284 247 S C -0.518 174.142 174.600 0.100 0.000 1.189 247 S CA -0.013 58.169 58.200 -0.030 0.000 0.835 247 S CB 2.302 65.415 63.200 -0.145 0.000 1.192 247 S HN 0.979 nan 8.310 nan 0.000 0.506 248 T N 0.222 114.820 114.554 0.074 0.000 2.918 248 T HA 0.592 4.943 4.350 0.001 0.000 0.286 248 T C -2.386 172.363 174.700 0.081 0.000 1.026 248 T CA -1.808 60.373 62.100 0.136 0.000 1.031 248 T CB 1.192 70.123 68.868 0.106 0.000 1.046 248 T HN 0.266 nan 8.240 nan 0.000 0.479 249 P HA -0.109 nan 4.420 nan 0.000 0.216 249 P C 1.652 178.980 177.300 0.047 0.000 1.150 249 P CA 0.865 63.977 63.100 0.019 0.000 0.843 249 P CB 0.092 31.779 31.700 -0.022 0.000 0.787 250 R N -0.003 120.527 120.500 0.050 0.000 2.080 250 R HA -0.190 4.150 4.340 0.001 0.000 0.236 250 R C 1.713 178.048 176.300 0.057 0.000 1.137 250 R CA 2.163 58.289 56.100 0.044 0.000 0.943 250 R CB -0.811 29.509 30.300 0.032 0.000 0.846 250 R HN 0.058 nan 8.270 nan 0.000 0.431 251 D N 0.154 120.582 120.400 0.046 0.000 2.117 251 D HA -0.131 4.509 4.640 0.001 0.000 0.197 251 D C 1.845 178.231 176.300 0.144 0.000 0.987 251 D CA 0.960 54.989 54.000 0.049 0.000 0.829 251 D CB -0.066 40.704 40.800 -0.050 0.000 0.961 251 D HN 0.212 nan 8.370 nan 0.000 0.460 252 I N 0.453 121.119 120.570 0.159 0.000 2.226 252 I HA -0.180 3.990 4.170 0.001 0.000 0.245 252 I C 2.368 178.652 176.117 0.278 0.000 1.100 252 I CA 0.718 62.190 61.300 0.286 0.000 1.374 252 I CB -1.006 37.125 38.000 0.219 0.000 1.057 252 I HN -0.044 nan 8.210 nan 0.000 0.413 253 V N 0.998 121.009 119.914 0.162 0.000 2.515 253 V HA -0.230 3.891 4.120 0.001 0.000 0.250 253 V C 2.464 178.633 176.094 0.124 0.000 1.058 253 V CA 1.366 63.736 62.300 0.118 0.000 1.064 253 V CB -0.664 31.197 31.823 0.063 0.000 0.675 253 V HN 0.410 nan 8.190 nan 0.000 0.461 254 K N -0.365 120.120 120.400 0.143 0.000 2.009 254 K HA -0.233 4.087 4.320 0.001 0.000 0.210 254 K C 2.111 178.827 176.600 0.194 0.000 1.049 254 K CA 2.095 58.468 56.287 0.143 0.000 0.929 254 K CB -0.454 32.128 32.500 0.137 0.000 0.714 254 K HN 0.441 nan 8.250 nan 0.000 0.440 255 F N 2.156 122.187 119.950 0.135 0.000 2.069 255 F HA -0.205 4.322 4.527 0.001 0.000 0.298 255 F C 1.830 177.671 175.800 0.067 0.000 1.113 255 F CA 1.440 59.512 58.000 0.120 0.000 1.214 255 F CB -0.389 38.715 39.000 0.173 0.000 0.978 255 F HN -0.101 nan 8.300 nan 0.000 0.474 256 L N 0.118 121.315 121.223 -0.043 0.000 2.046 256 L HA -0.272 4.068 4.340 0.001 0.000 0.208 256 L C 2.356 179.254 176.870 0.046 0.000 1.077 256 L CA 1.443 56.252 54.840 -0.051 0.000 0.747 256 L CB -1.019 41.109 42.059 0.115 0.000 0.896 256 L HN 0.180 nan 8.230 nan 0.000 0.432 257 N N 0.382 119.101 118.700 0.031 0.000 2.043 257 N HA -0.176 4.564 4.740 0.001 0.000 0.193 257 N C 1.872 177.388 175.510 0.010 0.000 1.037 257 N CA 1.753 54.824 53.050 0.036 0.000 0.851 257 N CB -0.407 38.098 38.487 0.030 0.000 1.027 257 N HN 0.329 nan 8.380 nan 0.000 0.422 258 A N 0.660 123.458 122.820 -0.035 0.000 1.933 258 A HA -0.081 4.239 4.320 0.001 0.000 0.218 258 A C 2.245 179.743 177.584 -0.143 0.000 1.175 258 A CA 0.972 52.975 52.037 -0.057 0.000 0.628 258 A CB -0.731 18.259 19.000 -0.017 0.000 0.814 258 A HN 0.251 nan 8.150 nan 0.000 0.444 259 L N -1.391 119.634 121.223 -0.329 0.000 1.994 259 L HA -0.066 4.274 4.340 0.001 0.000 0.208 259 L C 2.106 178.739 176.870 -0.395 0.000 1.071 259 L CA 2.049 56.587 54.840 -0.503 0.000 0.745 259 L CB -0.687 40.786 42.059 -0.978 0.000 0.892 259 L HN 0.374 nan 8.230 nan 0.000 0.431 260 F N -0.640 119.195 119.950 -0.193 0.000 2.558 260 F HA -0.039 4.488 4.527 0.001 0.000 0.298 260 F C 1.770 177.526 175.800 -0.073 0.000 1.119 260 F CA 0.552 58.484 58.000 -0.114 0.000 1.451 260 F CB -0.320 38.619 39.000 -0.101 0.000 1.091 260 F HN 0.139 nan 8.300 nan 0.000 0.563 261 D N -0.323 120.119 120.400 0.070 0.000 2.340 261 D HA 0.123 4.764 4.640 0.001 0.000 0.220 261 D C 1.938 178.240 176.300 0.002 0.000 1.039 261 D CA 0.934 54.955 54.000 0.035 0.000 0.866 261 D CB -0.021 40.793 40.800 0.024 0.000 0.913 261 D HN 0.293 nan 8.370 nan 0.000 0.523 262 G N 1.469 110.250 108.800 -0.031 0.000 2.136 262 G HA2 -0.352 3.608 3.960 0.001 0.000 0.242 262 G HA3 -0.352 3.608 3.960 0.001 0.000 0.242 262 G C 1.045 175.926 174.900 -0.031 0.000 0.989 262 G CA -0.101 44.977 45.100 -0.036 0.000 0.682 262 G HN 0.349 nan 8.290 nan 0.000 0.522 263 R N -0.759 119.720 120.500 -0.036 0.000 2.317 263 R HA 0.427 4.768 4.340 0.001 0.000 0.208 263 R C 1.962 178.252 176.300 -0.015 0.000 0.914 263 R CA 0.756 56.846 56.100 -0.018 0.000 1.060 263 R CB 0.131 30.428 30.300 -0.006 0.000 1.015 263 R HN 0.575 nan 8.270 nan 0.000 0.498 264 I N -0.465 120.083 120.570 -0.036 0.000 3.534 264 I HA 0.087 4.257 4.170 0.001 0.000 0.251 264 I C 0.497 176.609 176.117 -0.009 0.000 1.136 264 I CA 0.013 61.305 61.300 -0.013 0.000 1.475 264 I CB 0.268 38.262 38.000 -0.010 0.000 1.526 264 I HN -0.103 nan 8.210 nan 0.000 0.454 265 L N 2.083 123.283 121.223 -0.037 0.000 2.343 265 L HA 0.274 4.614 4.340 0.001 0.000 0.275 265 L C -0.677 176.175 176.870 -0.030 0.000 1.056 265 L CA -0.872 53.953 54.840 -0.026 0.000 0.804 265 L CB 0.915 42.939 42.059 -0.058 0.000 1.203 265 L HN 0.274 nan 8.230 nan 0.000 0.440 266 D N 0.444 120.838 120.400 -0.011 0.000 2.398 266 D HA 0.021 4.661 4.640 0.001 0.000 0.247 266 D C 0.600 176.896 176.300 -0.007 0.000 1.227 266 D CA -0.345 53.651 54.000 -0.006 0.000 0.980 266 D CB 0.670 41.473 40.800 0.004 0.000 1.106 266 D HN 0.463 nan 8.370 nan 0.000 0.493 267 Q N -0.829 118.972 119.800 0.001 0.000 2.084 267 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 267 Q C 1.626 177.660 176.000 0.057 0.000 0.978 267 Q CA 1.463 57.278 55.803 0.019 0.000 0.844 267 Q CB -0.159 28.583 28.738 0.007 0.000 0.898 267 Q HN 0.370 nan 8.270 nan 0.000 0.426 268 K N 1.159 121.577 120.400 0.031 0.000 2.026 268 K HA -0.158 4.163 4.320 0.001 0.000 0.208 268 K C 1.870 178.543 176.600 0.122 0.000 1.048 268 K CA 1.504 57.830 56.287 0.066 0.000 0.929 268 K CB -0.038 32.467 32.500 0.008 0.000 0.713 268 K HN -0.043 nan 8.250 nan 0.000 0.439 269 R N -0.073 120.436 120.500 0.014 0.000 2.090 269 R HA 0.019 4.359 4.340 0.001 0.000 0.228 269 R C 2.142 178.291 176.300 -0.251 0.000 1.110 269 R CA 0.961 56.979 56.100 -0.137 0.000 0.973 269 R CB -0.727 29.512 30.300 -0.101 0.000 0.869 269 R HN 0.203 nan 8.270 nan 0.000 0.440 270 L N -0.512 120.640 121.223 -0.119 0.000 2.046 270 L HA -0.125 4.215 4.340 0.001 0.000 0.208 270 L C 1.870 178.712 176.870 -0.047 0.000 1.077 270 L CA 1.656 56.417 54.840 -0.133 0.000 0.747 270 L CB -0.622 41.373 42.059 -0.106 0.000 0.896 270 L HN 0.309 nan 8.230 nan 0.000 0.432 271 W N 0.679 121.914 121.300 -0.107 0.000 2.335 271 W HA -0.199 4.461 4.660 0.000 0.000 0.311 271 W C 2.343 178.845 176.519 -0.027 0.000 1.213 271 W CA 1.930 59.247 57.345 -0.048 0.000 1.274 271 W CB -0.026 29.415 29.460 -0.030 0.000 1.148 271 W HN 0.147 nan 8.180 nan 0.000 0.498 272 E N 0.016 120.226 120.200 0.017 0.000 2.058 272 E HA -0.313 4.037 4.350 0.001 0.000 0.194 272 E C 2.115 178.671 176.600 -0.073 0.000 0.997 272 E CA 2.035 58.341 56.400 -0.157 0.000 0.801 272 E CB -0.986 28.635 29.700 -0.131 0.000 0.746 272 E HN 0.492 nan 8.360 nan 0.000 0.450 273 M N 0.728 120.223 119.600 -0.175 0.000 2.132 273 M HA -0.181 4.299 4.480 0.001 0.000 0.263 273 M C 2.154 178.446 176.300 -0.013 0.000 1.065 273 M CA 1.849 57.135 55.300 -0.022 0.000 1.122 273 M CB 0.096 32.617 32.600 -0.132 0.000 1.365 273 M HN -0.042 nan 8.290 nan 0.000 0.411 274 K N -2.642 117.697 120.400 -0.102 0.000 2.365 274 K HA 0.069 4.389 4.320 0.001 0.000 0.195 274 K C 0.526 177.053 176.600 -0.122 0.000 1.079 274 K CA 0.634 56.890 56.287 -0.052 0.000 0.979 274 K CB 0.323 32.837 32.500 0.023 0.000 0.929 274 K HN 0.185 nan 8.250 nan 0.000 0.523 275 D N 0.585 120.785 120.400 -0.334 0.000 2.454 275 D HA -0.010 4.630 4.640 0.001 0.000 0.219 275 D C -0.192 175.725 176.300 -0.637 0.000 1.081 275 D CA 0.144 53.882 54.000 -0.436 0.000 0.867 275 D CB 0.216 40.758 40.800 -0.431 0.000 1.054 275 D HN 0.072 nan 8.370 nan 0.000 0.500 276 N N 1.918 120.090 118.700 -0.880 0.000 2.895 276 N HA 0.100 4.841 4.740 0.001 0.000 0.277 276 N C -0.323 175.058 175.510 -0.214 0.000 1.185 276 N CA -0.047 52.610 53.050 -0.656 0.000 1.106 276 N CB -0.564 37.469 38.487 -0.756 0.000 1.422 276 N HN 0.255 nan 8.380 nan 0.000 0.521 277 I N -1.753 118.721 120.570 -0.160 0.000 2.750 277 I HA 0.637 4.808 4.170 0.001 0.000 0.308 277 I C -0.382 175.711 176.117 -0.040 0.000 1.016 277 I CA -0.865 60.377 61.300 -0.097 0.000 1.098 277 I CB 1.958 39.914 38.000 -0.074 0.000 1.279 277 I HN -0.073 nan 8.210 nan 0.000 0.454 278 K N 3.043 123.430 120.400 -0.023 0.000 2.480 278 K HA 0.570 4.890 4.320 0.001 0.000 0.258 278 K C -2.769 173.839 176.600 0.013 0.000 0.990 278 K CA -1.761 54.532 56.287 0.010 0.000 0.857 278 K CB 2.144 34.668 32.500 0.040 0.000 1.384 278 K HN 0.363 nan 8.250 nan 0.000 0.446 279 P HA 0.021 nan 4.420 nan 0.000 0.266 279 P C -1.504 175.819 177.300 0.040 0.000 1.193 279 P CA 0.084 63.197 63.100 0.022 0.000 0.770 279 P CB 0.617 32.328 31.700 0.017 0.000 0.836 280 A N 2.401 125.252 122.820 0.050 0.000 2.549 280 A HA 0.705 5.025 4.320 0.001 0.000 0.297 280 A C -1.806 175.853 177.584 0.124 0.000 1.061 280 A CA -0.423 51.661 52.037 0.079 0.000 0.690 280 A CB 1.022 20.055 19.000 0.055 0.000 1.287 280 A HN 0.415 nan 8.150 nan 0.000 0.402 281 F N 1.206 121.131 119.950 -0.043 0.000 2.520 281 F HA 0.807 5.334 4.527 0.000 0.000 0.322 281 F C -1.498 174.250 175.800 -0.087 0.000 1.103 281 F CA -1.511 56.441 58.000 -0.081 0.000 0.926 281 F CB 1.638 40.573 39.000 -0.108 0.000 1.154 281 F HN 0.523 nan 8.300 nan 0.000 0.453 282 F N 7.919 127.243 119.950 -1.043 0.000 2.585 282 F HA 0.536 5.063 4.527 0.001 0.000 0.319 282 F C -2.533 172.403 175.800 -1.440 0.000 1.165 282 F CA -2.321 54.995 58.000 -1.140 0.000 0.949 282 F CB 1.810 40.324 39.000 -0.811 0.000 1.218 282 F HN 0.290 nan 8.300 nan 0.000 0.453 283 P HA 0.219 nan 4.420 nan 0.000 0.267 283 P C 0.520 177.509 177.300 -0.519 0.000 1.205 283 P CA 1.200 63.616 63.100 -1.141 0.000 0.765 283 P CB 1.106 32.167 31.700 -1.064 0.000 0.828 284 G N 1.899 110.559 108.800 -0.234 0.000 2.199 284 G HA2 -0.252 3.708 3.960 0.001 0.000 0.254 284 G HA3 -0.252 3.708 3.960 0.001 0.000 0.254 284 G C 0.397 175.256 174.900 -0.069 0.000 0.982 284 G CA 0.488 45.556 45.100 -0.052 0.000 0.632 284 G HN 0.893 nan 8.290 nan 0.000 0.529 285 S N -0.632 114.984 115.700 -0.139 0.000 2.719 285 S HA 0.651 5.121 4.470 0.001 0.000 0.285 285 S C 0.682 175.177 174.600 -0.175 0.000 1.137 285 S CA 0.115 58.227 58.200 -0.147 0.000 1.012 285 S CB 1.269 64.354 63.200 -0.191 0.000 1.134 285 S HN 0.070 nan 8.310 nan 0.000 0.544 286 N N 0.368 118.931 118.700 -0.227 0.000 2.251 286 N HA 0.235 4.976 4.740 0.001 0.000 0.217 286 N C -0.736 174.619 175.510 -0.257 0.000 1.124 286 N CA -0.027 52.841 53.050 -0.303 0.000 0.843 286 N CB 0.240 38.364 38.487 -0.606 0.000 1.024 286 N HN 0.550 nan 8.380 nan 0.000 0.501 287 T N 0.294 114.725 114.554 -0.204 0.000 2.870 287 T HA 0.159 4.509 4.350 0.001 0.000 0.300 287 T C 1.618 176.263 174.700 -0.092 0.000 0.989 287 T CA -0.166 61.839 62.100 -0.159 0.000 1.139 287 T CB 1.328 70.093 68.868 -0.171 0.000 0.920 287 T HN 0.114 nan 8.240 nan 0.000 0.537 288 V N -0.235 119.638 119.914 -0.069 0.000 3.548 288 V HA 0.804 4.924 4.120 0.001 0.000 0.279 288 V C 0.343 176.431 176.094 -0.009 0.000 1.446 288 V CA 0.277 62.560 62.300 -0.029 0.000 1.023 288 V CB -0.505 31.294 31.823 -0.041 0.000 0.820 288 V HN 1.001 nan 8.190 nan 0.000 0.438 289 A N 1.402 124.211 122.820 -0.017 0.000 2.586 289 A HA 0.755 5.075 4.320 0.001 0.000 0.291 289 A C -1.448 176.133 177.584 -0.006 0.000 1.062 289 A CA -0.114 51.920 52.037 -0.005 0.000 0.666 289 A CB 1.223 20.216 19.000 -0.011 0.000 1.281 289 A HN 0.669 nan 8.150 nan 0.000 0.421 290 N N -0.005 118.698 118.700 0.005 0.000 2.396 290 N HA 0.608 5.348 4.740 0.001 0.000 0.275 290 N C 0.063 175.545 175.510 -0.047 0.000 1.218 290 N CA -0.019 53.040 53.050 0.016 0.000 0.812 290 N CB 1.667 40.216 38.487 0.104 0.000 1.592 290 N HN 0.958 nan 8.380 nan 0.000 0.480 291 G N -0.083 108.684 108.800 -0.054 0.000 3.434 291 G HA2 0.235 4.195 3.960 0.001 0.000 0.192 291 G HA3 0.235 4.195 3.960 0.001 0.000 0.192 291 G C -0.816 173.885 174.900 -0.331 0.000 1.704 291 G CA -0.010 44.992 45.100 -0.163 0.000 0.936 291 G HN 0.673 nan 8.290 nan 0.000 0.623 292 H N -0.992 118.139 119.070 0.101 0.000 2.348 292 H HA 0.510 5.066 4.556 0.000 0.000 0.232 292 H C 0.666 176.165 175.328 0.285 0.000 1.419 292 H CA 0.057 56.210 56.048 0.175 0.000 1.416 292 H CB 0.750 30.639 29.762 0.212 0.000 1.510 292 H HN 0.881 nan 8.280 nan 0.000 0.507 293 G N 0.803 109.815 108.800 0.354 0.000 2.227 293 G HA2 -0.163 3.798 3.960 0.001 0.000 0.168 293 G HA3 -0.163 3.798 3.960 0.001 0.000 0.168 293 G C -0.417 174.687 174.900 0.340 0.000 1.006 293 G CA -0.560 44.772 45.100 0.387 0.000 0.684 293 G HN 0.388 nan 8.290 nan 0.000 0.489 294 L N 1.124 122.513 121.223 0.275 0.000 2.408 294 L HA 0.676 5.017 4.340 0.001 0.000 0.268 294 L C 0.123 177.070 176.870 0.128 0.000 0.986 294 L CA -1.090 53.892 54.840 0.237 0.000 0.820 294 L CB 2.144 44.313 42.059 0.184 0.000 1.303 294 L HN -0.004 nan 8.230 nan 0.000 0.411 295 L N 3.050 124.283 121.223 0.016 0.000 2.357 295 L HA 0.452 4.792 4.340 0.001 0.000 0.273 295 L C -0.800 176.054 176.870 -0.026 0.000 1.080 295 L CA -0.815 53.977 54.840 -0.079 0.000 0.803 295 L CB 1.282 43.172 42.059 -0.283 0.000 1.174 295 L HN 0.328 nan 8.230 nan 0.000 0.443 296 L N 3.622 124.826 121.223 -0.031 0.000 2.257 296 L HA 0.454 4.794 4.340 0.001 0.000 0.290 296 L C -0.205 176.628 176.870 -0.061 0.000 1.044 296 L CA 0.434 55.260 54.840 -0.023 0.000 0.810 296 L CB 1.030 43.078 42.059 -0.018 0.000 1.193 296 L HN 0.509 nan 8.230 nan 0.000 0.425 297 M N 4.033 123.602 119.600 -0.052 0.000 2.190 297 M HA 0.507 4.987 4.480 0.001 0.000 0.312 297 M C -0.409 175.753 176.300 -0.229 0.000 0.990 297 M CA -0.546 54.667 55.300 -0.144 0.000 0.927 297 M CB 1.937 34.483 32.600 -0.090 0.000 1.571 297 M HN 0.372 nan 8.290 nan 0.000 0.427 298 R N 2.213 122.491 120.500 -0.370 0.000 2.349 298 R HA 0.391 4.731 4.340 0.001 0.000 0.299 298 R C -1.480 174.450 176.300 -0.617 0.000 1.027 298 R CA -0.270 55.636 56.100 -0.324 0.000 0.958 298 R CB 0.959 31.147 30.300 -0.186 0.000 1.047 298 R HN 0.611 nan 8.270 nan 0.000 0.468 299 Y N 1.329 121.598 120.300 -0.051 0.000 2.662 299 Y HA 0.200 4.750 4.550 0.001 0.000 0.358 299 Y C 1.097 176.971 175.900 -0.043 0.000 1.041 299 Y CA 0.144 58.213 58.100 -0.052 0.000 1.184 299 Y CB 1.279 39.701 38.460 -0.063 0.000 1.114 299 Y HN 1.067 nan 8.280 nan 0.000 0.650 300 G N 1.407 110.224 108.800 0.028 0.000 2.634 300 G HA2 -0.435 3.525 3.960 0.001 0.000 0.318 300 G HA3 -0.435 3.525 3.960 0.001 0.000 0.318 300 G C 1.520 176.426 174.900 0.011 0.000 1.207 300 G CA 1.038 46.148 45.100 0.015 0.000 0.987 300 G HN 0.855 nan 8.290 nan 0.000 0.547 301 S N -0.247 115.462 115.700 0.016 0.000 2.527 301 S HA 0.481 4.952 4.470 0.001 0.000 0.222 301 S C 1.139 175.748 174.600 0.015 0.000 0.985 301 S CA 1.350 59.555 58.200 0.009 0.000 0.921 301 S CB 0.159 63.360 63.200 0.003 0.000 0.772 301 S HN 0.933 nan 8.310 nan 0.000 0.529 302 S N 1.080 116.803 115.700 0.038 0.000 2.654 302 S HA 0.579 5.049 4.470 0.001 0.000 0.283 302 S C -0.578 174.073 174.600 0.086 0.000 1.180 302 S CA -0.697 57.532 58.200 0.047 0.000 1.021 302 S CB 1.561 64.784 63.200 0.038 0.000 1.018 302 S HN 0.553 nan 8.310 nan 0.000 0.532 303 E N 1.147 121.388 120.200 0.069 0.000 2.308 303 E HA 0.451 4.802 4.350 0.001 0.000 0.275 303 E C -1.697 174.941 176.600 0.064 0.000 0.890 303 E CA -0.429 56.017 56.400 0.077 0.000 0.754 303 E CB 1.101 30.811 29.700 0.017 0.000 1.207 303 E HN 0.445 nan 8.360 nan 0.000 0.426 304 L N 3.470 124.765 121.223 0.120 0.000 2.317 304 L HA 0.501 4.841 4.340 0.001 0.000 0.281 304 L C -0.208 176.677 176.870 0.025 0.000 1.024 304 L CA -0.891 53.974 54.840 0.042 0.000 0.810 304 L CB 1.517 43.624 42.059 0.081 0.000 1.240 304 L HN 0.307 nan 8.230 nan 0.000 0.427 305 K N 2.619 123.008 120.400 -0.018 0.000 2.334 305 K HA 0.598 4.918 4.320 0.001 0.000 0.265 305 K C -0.027 176.667 176.600 0.157 0.000 1.039 305 K CA -0.133 56.203 56.287 0.082 0.000 0.920 305 K CB 2.009 34.606 32.500 0.162 0.000 1.160 305 K HN 0.925 nan 8.250 nan 0.000 0.451 306 G N 1.608 110.501 108.800 0.156 0.000 2.927 306 G HA2 0.134 4.094 3.960 0.001 0.000 0.111 306 G HA3 0.134 4.094 3.960 0.001 0.000 0.111 306 G C -1.202 173.820 174.900 0.203 0.000 1.198 306 G CA -0.170 45.051 45.100 0.202 0.000 1.382 306 G HN 0.538 nan 8.290 nan 0.000 0.663 307 H N -1.040 118.063 119.070 0.055 0.000 3.005 307 H HA 0.459 5.015 4.556 0.000 0.000 0.311 307 H C -1.453 173.848 175.328 -0.045 0.000 1.366 307 H CA -0.154 55.898 56.048 0.007 0.000 1.210 307 H CB 1.744 31.528 29.762 0.037 0.000 1.894 307 H HN 0.732 nan 8.280 nan 0.000 0.520 308 L N 0.101 121.314 121.223 -0.017 0.000 2.322 308 L HA 0.945 5.285 4.340 0.001 0.000 0.269 308 L C 0.117 176.988 176.870 0.000 0.000 1.012 308 L CA -0.603 54.183 54.840 -0.089 0.000 0.815 308 L CB 1.950 43.814 42.059 -0.325 0.000 1.295 308 L HN 0.617 nan 8.230 nan 0.000 0.438 309 G N 0.863 109.653 108.800 -0.017 0.000 2.687 309 G HA2 0.659 4.620 3.960 0.001 0.000 0.301 309 G HA3 0.659 4.620 3.960 0.001 0.000 0.301 309 G C -1.603 173.333 174.900 0.060 0.000 1.416 309 G CA -0.523 44.598 45.100 0.035 0.000 1.005 309 G HN 0.629 nan 8.290 nan 0.000 0.509 310 Q N 1.429 121.305 119.800 0.126 0.000 2.303 310 Q HA 0.571 4.911 4.340 0.001 0.000 0.267 310 Q C -1.257 174.958 176.000 0.358 0.000 1.011 310 Q CA -0.514 55.444 55.803 0.258 0.000 0.740 310 Q CB 3.046 31.960 28.738 0.293 0.000 1.250 310 Q HN 0.572 nan 8.270 nan 0.000 0.458 311 I N 1.991 122.695 120.570 0.223 0.000 2.686 311 I HA 0.437 4.608 4.170 0.001 0.000 0.295 311 I C -2.568 173.429 176.117 -0.200 0.000 1.114 311 I CA -2.704 58.572 61.300 -0.040 0.000 1.038 311 I CB 2.698 40.703 38.000 0.009 0.000 1.238 311 I HN 0.343 nan 8.210 nan 0.000 0.420 312 P HA 0.044 nan 4.420 nan 0.000 0.251 312 P C 0.479 177.589 177.300 -0.316 0.000 1.154 312 P CA 1.534 64.334 63.100 -0.500 0.000 0.805 312 P CB -0.050 31.351 31.700 -0.497 0.000 0.759 313 G N 2.189 110.922 108.800 -0.111 0.000 2.195 313 G HA2 -0.232 3.729 3.960 0.001 0.000 0.246 313 G HA3 -0.232 3.729 3.960 0.001 0.000 0.246 313 G C -0.011 175.001 174.900 0.187 0.000 0.984 313 G CA -0.331 44.746 45.100 -0.039 0.000 0.633 313 G HN 0.662 nan 8.290 nan 0.000 0.525 314 H N 0.729 119.845 119.070 0.077 0.000 2.708 314 H HA 0.523 5.080 4.556 0.001 0.000 0.320 314 H C -0.803 174.601 175.328 0.127 0.000 0.991 314 H CA -0.325 55.817 56.048 0.158 0.000 1.243 314 H CB 1.512 31.392 29.762 0.196 0.000 1.446 314 H HN 0.129 nan 8.280 nan 0.000 0.502 315 T N 2.774 117.454 114.554 0.210 0.000 2.786 315 T HA 0.293 4.643 4.350 0.001 0.000 0.283 315 T C -0.293 174.412 174.700 0.009 0.000 0.992 315 T CA -0.872 61.297 62.100 0.115 0.000 0.954 315 T CB 1.033 69.971 68.868 0.117 0.000 0.934 315 T HN 0.621 nan 8.240 nan 0.000 0.440 316 S N 3.225 118.920 115.700 -0.009 0.000 2.542 316 S HA 0.842 5.312 4.470 0.001 0.000 0.293 316 S C -1.009 173.561 174.600 -0.051 0.000 1.089 316 S CA -0.958 57.203 58.200 -0.065 0.000 0.961 316 S CB 1.340 64.509 63.200 -0.052 0.000 1.062 316 S HN 0.493 nan 8.310 nan 0.000 0.483 317 I N 3.261 123.789 120.570 -0.070 0.000 2.512 317 I HA 0.396 4.566 4.170 0.001 0.000 0.287 317 I C -0.381 175.711 176.117 -0.041 0.000 1.069 317 I CA -0.604 60.667 61.300 -0.049 0.000 1.056 317 I CB 1.668 39.625 38.000 -0.073 0.000 1.229 317 I HN 1.026 nan 8.210 nan 0.000 0.429 318 M N 5.107 124.717 119.600 0.018 0.000 2.662 318 M HA 0.997 5.477 4.480 0.001 0.000 0.310 318 M C -0.466 175.863 176.300 0.048 0.000 1.204 318 M CA -0.234 55.090 55.300 0.040 0.000 0.891 318 M CB 3.185 35.852 32.600 0.112 0.000 1.732 318 M HN 0.582 nan 8.290 nan 0.000 0.467 319 G N 1.409 110.219 108.800 0.016 0.000 2.325 319 G HA2 0.336 4.297 3.960 0.001 0.000 0.297 319 G HA3 0.336 4.297 3.960 0.001 0.000 0.297 319 G C -2.453 172.353 174.900 -0.158 0.000 1.448 319 G CA -1.168 43.919 45.100 -0.020 0.000 0.838 319 G HN 1.037 nan 8.290 nan 0.000 0.579 320 R N 0.281 120.554 120.500 -0.379 0.000 2.460 320 R HA 0.524 4.865 4.340 0.001 0.000 0.303 320 R C -1.224 174.837 176.300 -0.398 0.000 0.968 320 R CA -0.690 55.078 56.100 -0.552 0.000 0.889 320 R CB 1.538 31.107 30.300 -1.218 0.000 1.123 320 R HN 0.391 nan 8.270 nan 0.000 0.455 321 D N 3.703 123.947 120.400 -0.261 0.000 2.422 321 D HA 0.028 4.668 4.640 0.001 0.000 0.227 321 D C 0.213 176.408 176.300 -0.175 0.000 1.190 321 D CA 0.086 53.985 54.000 -0.169 0.000 0.905 321 D CB 0.915 41.645 40.800 -0.116 0.000 1.034 321 D HN 0.642 nan 8.370 nan 0.000 0.507 322 E N 2.043 122.137 120.200 -0.176 0.000 2.267 322 E HA -0.190 4.161 4.350 0.001 0.000 0.197 322 E C 1.089 177.651 176.600 -0.064 0.000 0.998 322 E CA 0.847 57.170 56.400 -0.128 0.000 0.830 322 E CB 0.423 30.088 29.700 -0.058 0.000 0.751 322 E HN 0.653 nan 8.360 nan 0.000 0.491 323 E N -0.107 120.061 120.200 -0.054 0.000 2.046 323 E HA -0.114 4.236 4.350 0.001 0.000 0.190 323 E C 2.222 178.800 176.600 -0.036 0.000 0.982 323 E CA 1.680 58.060 56.400 -0.033 0.000 0.800 323 E CB 0.037 29.722 29.700 -0.025 0.000 0.756 323 E HN 0.288 nan 8.360 nan 0.000 0.449 324 T N -3.314 111.210 114.554 -0.050 0.000 3.065 324 T HA 0.234 4.584 4.350 0.001 0.000 0.252 324 T C 1.535 176.202 174.700 -0.054 0.000 1.099 324 T CA 0.545 62.618 62.100 -0.046 0.000 1.063 324 T CB 0.693 69.532 68.868 -0.048 0.000 0.948 324 T HN 0.298 nan 8.240 nan 0.000 0.506 325 G N 1.423 110.177 108.800 -0.076 0.000 2.159 325 G HA2 -0.079 3.881 3.960 0.001 0.000 0.256 325 G HA3 -0.079 3.881 3.960 0.001 0.000 0.256 325 G C 0.273 175.114 174.900 -0.098 0.000 0.977 325 G CA -0.076 44.974 45.100 -0.083 0.000 0.652 325 G HN 1.239 nan 8.290 nan 0.000 0.531 326 A N 0.008 122.766 122.820 -0.104 0.000 2.409 326 A HA 0.817 5.137 4.320 0.001 0.000 0.267 326 A C 0.666 178.170 177.584 -0.134 0.000 1.127 326 A CA 1.005 52.983 52.037 -0.098 0.000 0.795 326 A CB 0.596 19.544 19.000 -0.086 0.000 1.061 326 A HN 2.051 nan 8.150 nan 0.000 0.502 327 A N 2.714 125.471 122.820 -0.104 0.000 2.330 327 A HA 0.741 5.061 4.320 0.001 0.000 0.327 327 A C -0.579 176.967 177.584 -0.062 0.000 1.155 327 A CA -0.500 51.474 52.037 -0.106 0.000 0.803 327 A CB 0.601 19.557 19.000 -0.074 0.000 1.208 327 A HN 1.945 nan 8.150 nan 0.000 0.477 328 L N 0.185 121.368 121.223 -0.065 0.000 2.424 328 L HA 1.006 5.346 4.340 0.001 0.000 0.258 328 L C -0.937 175.913 176.870 -0.034 0.000 0.995 328 L CA -0.889 53.919 54.840 -0.052 0.000 0.821 328 L CB 2.070 44.073 42.059 -0.094 0.000 1.383 328 L HN 0.630 nan 8.230 nan 0.000 0.410 329 M N 3.419 123.002 119.600 -0.030 0.000 2.213 329 M HA 0.675 5.156 4.480 0.001 0.000 0.286 329 M C -2.303 173.942 176.300 -0.090 0.000 1.008 329 M CA -0.635 54.642 55.300 -0.040 0.000 0.937 329 M CB 1.734 34.335 32.600 0.002 0.000 1.600 329 M HN 0.818 nan 8.290 nan 0.000 0.450 330 L N 6.458 127.602 121.223 -0.132 0.000 2.333 330 L HA 0.806 5.147 4.340 0.001 0.000 0.280 330 L C -1.805 174.922 176.870 -0.237 0.000 1.004 330 L CA -0.411 54.324 54.840 -0.174 0.000 0.820 330 L CB 1.049 43.003 42.059 -0.176 0.000 1.247 330 L HN 0.846 nan 8.230 nan 0.000 0.416 331 I N 4.854 125.199 120.570 -0.374 0.000 2.498 331 I HA 0.368 4.539 4.170 0.001 0.000 0.290 331 I C -0.768 175.079 176.117 -0.450 0.000 1.032 331 I CA -0.561 60.408 61.300 -0.551 0.000 1.073 331 I CB 2.040 39.362 38.000 -1.129 0.000 1.251 331 I HN 0.601 nan 8.210 nan 0.000 0.426 332 Q N 4.639 124.342 119.800 -0.161 0.000 2.306 332 Q HA 0.407 4.747 4.340 0.001 0.000 0.265 332 Q C -0.700 175.446 176.000 0.243 0.000 1.022 332 Q CA -0.879 54.971 55.803 0.078 0.000 0.853 332 Q CB 1.971 30.798 28.738 0.149 0.000 1.327 332 Q HN 0.674 nan 8.270 nan 0.000 0.449 333 N N 0.849 119.783 118.700 0.391 0.000 2.389 333 N HA 0.084 4.824 4.740 0.001 0.000 0.237 333 N C -1.098 174.688 175.510 0.461 0.000 1.148 333 N CA -0.345 52.999 53.050 0.489 0.000 0.854 333 N CB 0.665 39.412 38.487 0.433 0.000 1.115 333 N HN 0.330 nan 8.380 nan 0.000 0.492 334 S N -0.915 115.021 115.700 0.393 0.000 2.482 334 S HA 0.857 5.327 4.470 0.001 0.000 0.303 334 S C 0.062 174.861 174.600 0.332 0.000 1.091 334 S CA -0.631 57.825 58.200 0.427 0.000 1.057 334 S CB 1.804 65.226 63.200 0.370 0.000 1.031 334 S HN 0.570 nan 8.310 nan 0.000 0.485 335 G N 0.675 109.687 108.800 0.354 0.000 2.766 335 G HA2 0.864 4.825 3.960 0.001 0.000 0.288 335 G HA3 0.864 4.825 3.960 0.001 0.000 0.288 335 G C -1.332 173.768 174.900 0.334 0.000 1.408 335 G CA -0.293 44.992 45.100 0.308 0.000 0.852 335 G HN 0.951 nan 8.290 nan 0.000 0.487 336 A N -1.816 121.194 122.820 0.317 0.000 2.525 336 A HA 0.848 5.168 4.320 0.001 0.000 0.291 336 A C 1.046 178.784 177.584 0.256 0.000 1.268 336 A CA 0.507 52.721 52.037 0.294 0.000 0.712 336 A CB 0.725 19.907 19.000 0.305 0.000 1.320 336 A HN 1.744 nan 8.150 nan 0.000 0.456 337 G N -0.896 107.999 108.800 0.158 0.000 2.441 337 G HA2 0.205 4.165 3.960 0.001 0.000 0.212 337 G HA3 0.205 4.165 3.960 0.001 0.000 0.212 337 G C 0.208 174.898 174.900 -0.350 0.000 1.164 337 G CA 1.143 46.240 45.100 -0.005 0.000 0.811 337 G HN 0.715 nan 8.290 nan 0.000 0.535 338 D N -0.734 119.550 120.400 -0.193 0.000 2.256 338 D HA 0.248 4.889 4.640 0.001 0.000 0.250 338 D C 0.874 177.042 176.300 -0.219 0.000 1.093 338 D CA -0.918 52.937 54.000 -0.242 0.000 0.882 338 D CB 0.805 41.574 40.800 -0.052 0.000 1.185 338 D HN 0.008 nan 8.370 nan 0.000 0.437 339 F N 1.323 121.203 119.950 -0.117 0.000 2.250 339 F HA -0.062 4.465 4.527 0.000 0.000 0.301 339 F C 2.152 177.924 175.800 -0.047 0.000 1.077 339 F CA 0.874 58.811 58.000 -0.105 0.000 1.348 339 F CB -0.089 38.812 39.000 -0.164 0.000 1.040 339 F HN 0.480 nan 8.300 nan 0.000 0.509 340 E N -0.302 119.986 120.200 0.147 0.000 2.474 340 E HA 0.038 4.388 4.350 0.001 0.000 0.195 340 E C 0.699 177.356 176.600 0.095 0.000 1.039 340 E CA 0.025 56.487 56.400 0.104 0.000 0.881 340 E CB 0.105 29.860 29.700 0.090 0.000 0.970 340 E HN 0.129 nan 8.360 nan 0.000 0.486 341 S N 0.434 116.193 115.700 0.098 0.000 2.549 341 S HA -0.026 4.444 4.470 0.001 0.000 0.286 341 S C 0.973 175.643 174.600 0.116 0.000 1.314 341 S CA -0.485 57.800 58.200 0.142 0.000 1.062 341 S CB 0.276 63.590 63.200 0.191 0.000 0.865 341 S HN 0.248 nan 8.310 nan 0.000 0.498 342 F N 5.664 125.579 119.950 -0.059 0.000 2.147 342 F HA -0.177 4.350 4.527 0.001 0.000 0.301 342 F C 1.089 176.754 175.800 -0.224 0.000 1.084 342 F CA 1.750 59.627 58.000 -0.204 0.000 1.268 342 F CB -0.551 38.204 39.000 -0.408 0.000 1.009 342 F HN 0.814 nan 8.300 nan 0.000 0.486 343 Y N -0.263 119.951 120.300 -0.144 0.000 2.616 343 Y HA -0.024 4.526 4.550 0.000 0.000 0.296 343 Y C 1.968 177.787 175.900 -0.136 0.000 1.154 343 Y CA 0.681 58.632 58.100 -0.247 0.000 1.325 343 Y CB -0.333 38.079 38.460 -0.080 0.000 1.007 343 Y HN 0.182 nan 8.280 nan 0.000 0.542 344 L N -0.805 120.434 121.223 0.026 0.000 2.546 344 L HA 0.020 4.361 4.340 0.001 0.000 0.182 344 L C 2.372 179.225 176.870 -0.028 0.000 1.167 344 L CA 0.358 55.223 54.840 0.041 0.000 0.845 344 L CB -0.322 41.790 42.059 0.089 0.000 1.134 344 L HN -0.086 nan 8.230 nan 0.000 0.500 345 K N 0.617 121.005 120.400 -0.021 0.000 2.103 345 K HA -0.149 4.171 4.320 0.001 0.000 0.207 345 K C 1.725 178.278 176.600 -0.080 0.000 1.048 345 K CA 1.601 57.874 56.287 -0.023 0.000 0.930 345 K CB -0.274 32.239 32.500 0.020 0.000 0.716 345 K HN 0.347 nan 8.250 nan 0.000 0.444 346 G N 0.497 109.162 108.800 -0.225 0.000 2.559 346 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 346 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 346 G C 1.314 176.115 174.900 -0.166 0.000 1.126 346 G CA 0.425 45.361 45.100 -0.273 0.000 0.778 346 G HN 0.253 nan 8.290 nan 0.000 0.543 347 V N 1.000 120.820 119.914 -0.157 0.000 2.568 347 V HA -0.214 3.907 4.120 0.001 0.000 0.253 347 V C 2.335 178.344 176.094 -0.141 0.000 1.072 347 V CA 2.429 64.648 62.300 -0.134 0.000 1.084 347 V CB -0.476 31.301 31.823 -0.077 0.000 0.676 347 V HN 0.481 nan 8.190 nan 0.000 0.469 348 N N -0.325 118.347 118.700 -0.047 0.000 2.396 348 N HA -0.113 4.627 4.740 0.001 0.000 0.180 348 N C 1.646 177.190 175.510 0.057 0.000 1.028 348 N CA 1.217 54.317 53.050 0.083 0.000 0.893 348 N CB -0.064 38.504 38.487 0.134 0.000 0.967 348 N HN 0.617 nan 8.380 nan 0.000 0.440 349 E N 0.689 120.879 120.200 -0.017 0.000 2.017 349 E HA -0.139 4.211 4.350 0.001 0.000 0.193 349 E C -0.777 175.763 176.600 -0.100 0.000 0.997 349 E CA 1.206 57.602 56.400 -0.006 0.000 0.804 349 E CB -0.839 28.909 29.700 0.080 0.000 0.757 349 E HN 0.404 nan 8.360 nan 0.000 0.448 350 P HA -0.106 nan 4.420 nan 0.000 0.220 350 P C 1.537 178.685 177.300 -0.253 0.000 1.148 350 P CA 1.030 63.961 63.100 -0.283 0.000 0.803 350 P CB 0.045 31.453 31.700 -0.486 0.000 0.782 351 V N 1.172 120.914 119.914 -0.285 0.000 2.295 351 V HA -0.216 3.905 4.120 0.001 0.000 0.246 351 V C 2.517 178.372 176.094 -0.399 0.000 1.049 351 V CA 2.328 64.388 62.300 -0.400 0.000 1.024 351 V CB -1.412 30.058 31.823 -0.589 0.000 0.648 351 V HN 0.106 nan 8.190 nan 0.000 0.447 352 D N 0.039 120.307 120.400 -0.219 0.000 2.116 352 D HA -0.194 4.446 4.640 0.001 0.000 0.193 352 D C 2.416 178.676 176.300 -0.067 0.000 0.998 352 D CA 1.597 55.587 54.000 -0.017 0.000 0.836 352 D CB -0.083 40.801 40.800 0.140 0.000 0.951 352 D HN 0.324 nan 8.370 nan 0.000 0.449 353 R N -0.333 120.117 120.500 -0.084 0.000 2.081 353 R HA -0.060 4.280 4.340 0.001 0.000 0.235 353 R C 2.524 178.756 176.300 -0.113 0.000 1.131 353 R CA 0.812 56.863 56.100 -0.081 0.000 0.960 353 R CB -0.364 29.892 30.300 -0.074 0.000 0.856 353 R HN 0.084 nan 8.270 nan 0.000 0.436 354 V N 1.234 121.052 119.914 -0.160 0.000 2.287 354 V HA -0.251 3.869 4.120 0.001 0.000 0.248 354 V C 2.221 178.226 176.094 -0.149 0.000 1.053 354 V CA 1.770 63.964 62.300 -0.177 0.000 1.027 354 V CB -0.428 31.266 31.823 -0.216 0.000 0.646 354 V HN 0.282 nan 8.190 nan 0.000 0.447 355 L N -0.334 120.793 121.223 -0.160 0.000 2.046 355 L HA -0.208 4.132 4.340 0.001 0.000 0.208 355 L C 2.591 179.415 176.870 -0.076 0.000 1.077 355 L CA 1.914 56.679 54.840 -0.124 0.000 0.747 355 L CB -0.573 41.401 42.059 -0.142 0.000 0.896 355 L HN 0.412 nan 8.230 nan 0.000 0.432 356 E N 0.314 120.476 120.200 -0.063 0.000 2.085 356 E HA -0.272 4.078 4.350 0.001 0.000 0.194 356 E C 2.220 178.792 176.600 -0.047 0.000 0.994 356 E CA 1.302 57.678 56.400 -0.041 0.000 0.801 356 E CB -0.021 29.660 29.700 -0.031 0.000 0.743 356 E HN 0.473 nan 8.360 nan 0.000 0.453 357 A N 0.641 123.424 122.820 -0.063 0.000 1.933 357 A HA -0.158 4.162 4.320 0.001 0.000 0.218 357 A C 2.101 179.653 177.584 -0.054 0.000 1.175 357 A CA 1.241 53.241 52.037 -0.062 0.000 0.628 357 A CB -0.529 18.420 19.000 -0.085 0.000 0.814 357 A HN 0.307 nan 8.150 nan 0.000 0.444 358 I N -0.541 119.993 120.570 -0.061 0.000 2.202 358 I HA -0.255 3.915 4.170 0.001 0.000 0.242 358 I C 2.496 178.590 176.117 -0.037 0.000 1.091 358 I CA 1.887 63.157 61.300 -0.049 0.000 1.368 358 I CB -0.223 37.742 38.000 -0.058 0.000 1.058 358 I HN 0.355 nan 8.210 nan 0.000 0.410 359 K N 1.309 121.687 120.400 -0.037 0.000 2.063 359 K HA -0.197 4.124 4.320 0.001 0.000 0.208 359 K C 1.702 178.289 176.600 -0.022 0.000 1.048 359 K CA 2.056 58.327 56.287 -0.027 0.000 0.928 359 K CB -0.154 32.331 32.500 -0.024 0.000 0.713 359 K HN 0.389 nan 8.250 nan 0.000 0.442 360 N N -0.233 118.453 118.700 -0.024 0.000 2.354 360 N HA -0.111 4.629 4.740 0.001 0.000 0.179 360 N C 1.674 177.174 175.510 -0.017 0.000 1.021 360 N CA 0.993 54.032 53.050 -0.019 0.000 0.887 360 N CB 0.097 38.572 38.487 -0.020 0.000 0.974 360 N HN 0.274 nan 8.380 nan 0.000 0.437 361 S N 0.939 116.627 115.700 -0.020 0.000 2.428 361 S HA -0.009 4.462 4.470 0.001 0.000 0.230 361 S C 1.244 175.837 174.600 -0.012 0.000 1.014 361 S CA 0.476 58.667 58.200 -0.015 0.000 0.957 361 S CB -0.004 63.187 63.200 -0.016 0.000 0.784 361 S HN 0.169 nan 8.310 nan 0.000 0.499 362 R N 1.204 121.695 120.500 -0.014 0.000 3.863 362 R HA 0.516 4.856 4.340 0.001 0.000 0.304 362 R C -0.307 175.986 176.300 -0.011 0.000 1.485 362 R CA -0.136 55.957 56.100 -0.012 0.000 1.355 362 R CB 0.391 30.683 30.300 -0.014 0.000 1.457 362 R HN 0.246 nan 8.270 nan 0.000 0.669 363 S N 0.000 115.694 115.700 -0.010 0.000 2.498 363 S HA 0.000 4.470 4.470 0.001 0.000 0.327 363 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 363 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517